#DEFINITION	Reference Metabolome for Triadica sebifera
#IDENTTFIER	RefMeta-Triadica sebifera.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Triadica sebifera
#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 Triadica sebifera was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5891
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	11.8
72.99188	0.6
73.02810	1.9
74.58646	0.6
78.95784	0.7
79.95628	0.6
81.03329	0.8
83.01254	1.6
83.04879	1.0
84.02020	2.0
85.02821	3.0
87.00755	2.4
88.98721	0.6
89.02322	10.8
95.01242	0.9
96.95888	8.3
97.02837	1.9
97.05926	0.7
97.06473	4.8
98.20569	1.4
99.00726	0.7
99.04462	0.7
101.02328	5.6
102.63235	0.7
113.02345	5.0
116.92731	1.0
119.03389	2.5
125.02327	3.4
125.09595	1.2
127.79952	0.5
137.09550	0.7
143.03369	1.2
161.04462	2.6
171.10184	6.6
179.05544	3.3
183.13792	0.9
193.12262	9.8
211.13380	3.0
221.06703	1.4
225.14911	12.8
226.15207	0.6
235.08228	3.6
243.15942	5.1
253.14282	0.7
263.07581	0.7
277.21707	27.5
278.22122	1.9
281.24854	2.0
287.07736	1.1
305.08804	1.0
305.21387	0.6
323.22388	1.1
341.23309	100.0
342.23642	6.0
379.12219	1.9
397.13507	25.6
398.13846	1.3
415.14563	9.9
601.44806	2.5
675.36865	0.8
721.36676	1.4
739.37708	1.8
977.92651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	11.0
72.99191	0.9
73.02827	1.8
78.95779	1.6
79.95632	0.7
81.03336	0.5
83.01273	1.1
83.04869	0.5
85.02821	2.5
85.99982	0.4
87.00759	2.8
89.02316	8.1
95.01283	0.9
96.95890	7.5
96.96864	1.1
97.02840	1.9
98.95472	0.5
101.02322	7.8
109.06496	1.1
111.08042	10.6
113.02329	4.5
119.03367	1.9
125.02348	4.2
125.09724	0.5
125.18530	0.4
127.07557	0.9
143.03427	1.5
151.04010	0.4
151.11165	0.8
153.09071	0.7
153.12746	0.9
161.04456	2.2
165.12784	0.5
169.01334	1.3
169.12289	5.1
169.17186	0.4
171.10191	1.0
179.05569	2.8
181.12253	0.9
183.13869	0.8
185.04593	0.4
189.44443	0.4
197.11765	54.2
198.12050	2.3
199.13350	2.8
209.11703	0.5
211.13344	8.2
221.06599	1.5
227.12872	1.3
235.08202	2.3
236.94850	0.4
247.20540	1.0
253.09244	0.9
263.07681	0.5
263.20157	3.8
265.18100	1.2
273.18781	0.6
287.07663	0.6
291.19666	18.1
292.20029	1.1
298.98148	0.4
300.99930	0.9
305.08752	0.6
309.20706	100.0
310.21036	6.2
333.20660	0.6
379.12408	1.1
397.13480	18.4
398.13809	1.2
415.09003	0.8
415.14548	14.8
415.19962	0.9
416.14935	0.9
495.11243	0.6
525.12384	0.5
601.41205	1.4
689.33350	1.9
707.34668	3.7
708.36237	0.5
999.54224	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5538
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94182	0.9
69.94598	2.1
71.00893	0.8
71.01258	11.4
72.99177	1.0
73.02822	2.0
78.95769	1.4
79.95587	0.6
83.01262	1.3
83.04854	0.5
85.02851	2.6
87.00742	3.3
89.02316	7.5
95.01245	0.8
96.95893	8.4
96.96857	1.2
97.02805	2.4
97.06506	0.5
97.84577	0.4
99.00777	1.0
101.02322	9.2
109.06481	0.7
110.68148	0.5
111.08032	10.0
113.02323	4.6
115.00145	0.6
116.52738	0.5
119.03384	2.7
125.02320	5.3
127.07496	0.9
131.03450	0.7
143.03387	1.5
151.11217	1.0
153.12779	1.1
161.04472	1.4
164.89777	0.5
165.12787	1.1
167.10634	0.5
169.01314	3.0
169.12265	5.6
170.01590	0.5
171.10146	1.2
179.05534	2.9
179.10750	0.8
181.12276	1.8
197.11771	58.7
198.12132	1.5
199.13414	2.7
206.99498	0.5
211.13321	7.7
221.06627	1.1
225.11171	0.5
227.12834	1.6
235.08217	2.6
247.20695	0.8
253.09470	0.6
263.20279	3.0
265.18057	2.0
273.18567	1.1
287.07574	0.6
291.19656	21.7
292.20023	0.9
293.21021	0.6
300.99850	2.9
305.08878	1.0
309.20706	100.0
310.21033	6.1
323.09784	0.9
379.12506	1.5
397.13486	20.6
398.13898	0.8
415.14618	15.0
467.03955	0.7
536.46075	0.5
600.28754	0.5
601.40985	1.5
689.33923	1.7
707.35614	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	999.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57250	1.9
71.57613	1.3
73.68372	1.2
75.90453	1.4
83.01255	1.9
92.66945	1.2
95.01281	2.3
105.03334	1.9
107.01279	2.2
111.00763	5.7
117.03354	4.1
119.04942	2.4
121.02827	2.7
123.00777	3.3
125.02319	4.1
131.04939	1.4
133.02861	3.7
135.04411	1.6
137.02330	2.3
139.00235	7.8
145.02835	8.5
147.00781	2.0
147.04408	3.3
149.02333	4.5
154.99800	2.0
157.02831	1.2
159.00757	2.3
159.04411	1.3
161.02402	8.5
163.00310	3.4
163.03911	6.0
164.01045	1.8
165.01846	1.8
166.99786	2.2
169.01347	6.3
173.02388	7.4
175.00291	3.2
175.03937	4.9
177.01854	6.7
179.03268	2.0
182.99272	6.5
183.99976	1.8
185.02374	2.8
187.00287	2.3
189.01828	10.1
190.02568	3.4
190.99677	1.6
191.03456	6.1
192.00401	1.3
193.01392	2.6
194.99290	2.4
200.01109	2.1
201.01898	7.3
202.02333	1.4
202.99858	1.9
203.03418	7.3
205.01433	7.8
205.04997	4.1
207.02789	2.0
213.01840	2.0
214.99835	5.1
216.00409	2.9
217.01385	14.3
218.01840	1.8
218.99295	1.9
219.02924	3.9
226.99814	1.5
228.00410	1.5
229.01382	9.5
230.99312	4.2
231.02971	7.6
231.99968	2.5
233.00906	5.8
235.02519	2.0
237.00192	1.6
242.99283	5.1
244.00114	2.4
245.00911	20.4
246.01233	1.6
247.02455	24.3
248.02873	1.4
249.04059	4.3
251.01790	1.4
257.00916	4.9
258.98926	2.8
259.02167	1.6
259.99591	2.3
261.00372	8.9
262.00772	1.5
263.01965	7.6
264.02151	1.9
270.98865	13.0
271.99393	4.2
273.00418	25.5
274.00986	6.3
275.02036	20.8
276.99988	1.6
283.99576	1.9
286.98425	11.0
287.01395	1.9
287.98898	1.6
288.99966	13.5
290.00336	1.7
291.01541	10.7
298.98358	21.7
299.99124	13.1
300.99905	100.0
302.00241	9.7
303.00574	2.5
304.99139	1.5
307.00873	3.9
307.04440	2.7
309.84338	1.3
314.97836	14.2
315.98608	3.1
316.99365	33.9
317.99661	3.8
319.00635	2.8
325.50522	1.2
332.98782	4.9
333.02457	1.6
337.01944	1.7
343.00565	2.3
349.01996	1.8
351.03528	3.5
435.05750	3.4
445.04401	1.7
451.05270	1.7
453.06833	1.8
463.04910	2.8
469.05859	2.3
473.32385	1.2
481.06421	1.4
615.08789	1.3
633.07196	3.1
735.04773	3.0
737.06287	1.5
934.05927	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	999.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
75.32945	2.4
83.01262	5.8
85.85709	2.2
95.01328	2.4
95.04866	2.9
97.02812	2.4
98.20567	7.9
111.00761	8.6
117.03339	4.1
119.04923	4.1
121.02789	2.5
125.02346	6.5
127.00278	2.6
131.01280	3.1
133.02853	8.7
139.00250	5.7
145.02863	8.6
147.00787	6.0
147.04436	5.2
149.02431	5.0
154.99724	5.0
157.02791	2.6
161.02332	15.9
163.00276	5.8
163.03915	4.3
165.01978	2.8
166.99777	2.3
169.01338	4.0
173.02341	9.3
175.00319	4.2
175.03963	4.1
177.01869	12.7
179.03377	2.4
182.99278	5.5
185.02412	2.6
187.00327	5.4
188.00919	2.9
189.01933	14.0
189.03371	2.3
190.02475	2.8
190.99883	3.3
191.03401	5.9
201.01811	7.1
202.99898	5.5
203.03490	5.4
205.01338	14.0
207.02838	5.1
214.99808	9.5
216.00526	2.4
217.01370	12.6
219.02948	4.1
221.00958	3.1
221.43260	2.2
226.99785	2.4
229.01474	7.6
230.40289	3.2
230.99303	8.9
231.99989	2.6
233.00935	15.1
235.02399	2.5
240.31104	2.0
242.99323	13.0
244.00023	3.3
245.00887	18.1
246.01508	3.6
247.02461	15.3
249.04056	2.7
257.00925	7.3
258.01413	2.8
258.98798	8.8
259.99527	3.7
261.00430	29.1
263.01880	11.8
270.98856	26.4
271.99094	3.0
273.00415	35.2
274.00943	6.3
274.99243	2.2
275.01993	15.4
276.99850	5.1
283.99597	3.3
286.98419	18.5
287.98901	4.5
288.99890	18.2
290.00275	4.0
291.01474	6.4
298.98328	32.1
299.99008	14.3
300.99899	100.0
302.00146	7.3
302.97632	2.9
304.99326	6.7
307.01038	5.9
314.97885	17.7
315.98517	5.5
316.33173	2.8
316.99396	63.2
317.99649	5.2
330.97485	2.5
332.98865	9.1
449.03513	2.7
679.06702	2.4
684.38898	2.5
766.52765	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	997.5384
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03311	4.4
71.01251	37.0
71.57192	2.4
72.99191	2.9
73.02808	5.0
78.95792	2.3
79.95612	2.0
80.96402	3.3
81.03319	2.9
83.01257	6.1
83.04901	2.0
85.02814	8.4
87.00749	6.8
89.02319	23.9
95.01246	2.8
96.95894	24.9
97.02830	7.4
97.06459	3.8
97.49441	1.2
97.50053	1.4
99.00732	2.5
101.02328	21.1
102.93162	1.2
109.06485	2.3
111.08056	12.0
113.02341	11.8
116.18236	1.1
116.92713	1.5
119.03378	5.0
123.04391	5.8
123.08004	1.8
125.02338	10.6
125.09602	5.8
135.08022	1.4
137.09641	4.3
142.02689	1.6
143.03346	3.8
149.05917	1.7
151.11110	1.7
153.12750	2.3
161.04437	5.5
163.11177	8.3
165.12726	4.5
169.01353	2.5
169.12260	5.6
171.10153	3.4
179.05518	7.5
181.12271	3.0
183.13684	1.5
185.11719	7.2
191.14337	9.4
195.13823	1.6
197.11765	66.7
198.12003	1.9
198.78691	1.2
199.13353	2.5
207.10167	5.0
209.11769	15.2
211.13333	14.9
211.88248	1.4
217.15865	2.8
221.06543	2.9
223.13313	2.2
225.11224	4.1
227.12842	3.5
230.42038	1.6
235.08241	6.8
237.11224	3.8
245.19055	16.0
247.13339	1.5
253.09209	2.1
261.18546	1.6
263.20129	8.2
265.17926	2.5
271.16983	2.5
277.21844	1.7
279.23770	1.9
281.21188	1.7
287.16550	1.4
289.18094	67.1
290.18558	3.8
291.16318	1.8
291.19650	34.3
293.21347	6.3
299.98795	1.7
301.00034	2.6
305.08978	2.3
307.19153	64.8
308.19525	3.2
309.20709	100.0
310.21088	4.7
379.12390	2.5
397.13486	44.0
398.13947	2.5
415.14532	23.3
427.51563	1.7
553.11157	1.4
599.39929	1.7
631.47968	1.3
687.32501	3.1
689.33960	2.2
705.33423	2.2
706.34222	1.5
707.35254	2.0
997.46832	13.1
998.48615	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	997.5378
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03347	1.0
71.01254	5.2
71.04889	1.2
71.21731	0.8
73.02821	1.2
80.02538	1.4
81.03335	1.9
83.04893	5.4
84.02031	2.6
85.02814	2.2
87.00744	0.9
89.02316	1.2
93.03336	0.5
95.04903	1.7
95.06899	0.6
96.95882	0.9
97.02824	2.2
97.06465	2.9
99.04388	0.8
99.08051	2.0
101.02344	2.1
109.06477	5.8
110.72069	0.5
111.08054	1.3
112.05170	0.8
113.02332	0.9
113.09610	0.6
115.07542	2.3
116.92800	0.7
121.02838	1.1
121.06460	0.9
123.04448	0.9
125.02337	1.5
125.05963	0.8
125.09621	4.8
127.07553	10.8
135.08054	2.8
136.05182	0.6
137.09596	0.8
139.07533	2.4
141.09085	0.9
141.12816	0.5
150.03152	0.6
153.09123	9.7
155.10666	2.3
161.09633	0.6
163.11209	7.4
165.05467	0.9
165.12805	2.7
169.01294	0.9
171.10175	11.6
174.89691	0.5
178.09915	2.3
179.10670	0.6
181.12288	1.6
185.11749	15.8
186.12036	0.6
191.05562	0.6
191.10699	2.5
191.14346	2.0
193.15988	1.1
197.11763	15.5
207.10211	16.7
209.11771	89.8
210.12109	2.9
211.17036	0.8
217.16063	0.5
219.13892	0.9
225.11266	6.3
227.12834	4.9
235.08240	1.4
236.10443	1.0
237.11349	1.2
238.12061	5.0
245.19060	3.2
249.11261	0.7
253.09076	3.2
255.12387	1.2
256.13162	1.8
263.20197	1.8
279.19717	2.0
281.21237	1.4
289.18121	9.7
297.20718	0.7
300.99704	1.2
307.19144	100.0
308.19470	5.2
325.20187	98.9
326.20505	6.5
399.21765	2.4
417.22754	2.1
443.18976	0.7
444.18890	0.7
461.20456	2.7
494.66382	0.6
635.30597	8.9
636.30688	0.9
653.31604	7.6
654.32190	1.1
671.32721	13.2
672.33258	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01258	14.7
71.57402	1.0
71.57783	1.5
72.99164	1.2
73.02818	1.6
77.94349	0.7
80.04932	1.3
83.01276	1.1
84.84027	0.9
85.02810	3.0
87.00732	2.1
89.02314	7.2
89.99387	0.8
91.55831	0.9
93.03345	0.7
95.01267	1.9
96.95892	1.2
99.00770	1.0
101.02322	7.9
106.06507	4.1
113.02357	3.9
115.00293	1.1
119.03387	3.0
122.06011	6.4
123.00753	1.9
125.02357	4.1
126.02676	1.1
132.04417	2.5
134.06018	25.9
135.06372	1.0
145.02899	1.1
150.03189	1.2
150.05496	1.0
151.00247	2.1
152.07072	4.3
152.29674	0.7
160.06291	1.1
161.02342	1.0
162.05428	1.2
163.00162	1.3
165.01701	1.8
168.00491	0.9
169.01337	5.6
174.05424	0.8
175.02434	1.8
175.03772	1.0
180.06560	1.0
181.04883	1.6
188.07106	1.4
190.05011	2.6
195.06622	0.9
197.10716	0.8
201.01894	1.1
211.08643	1.5
213.10269	5.5
223.08560	1.0
225.10243	2.7
229.01349	2.1
234.07893	0.9
235.08742	2.2
237.10382	1.5
239.11858	3.4
241.13426	2.2
245.00819	1.6
249.10272	1.6
250.07425	1.6
251.08148	2.2
251.11885	2.6
252.08629	1.0
253.09799	1.5
257.00702	1.0
263.08197	2.4
264.08987	1.3
265.09848	3.2
267.11398	6.5
273.00439	1.9
274.00864	0.8
275.01855	2.0
276.08923	1.0
277.06967	0.8
277.09741	5.4
278.06952	2.1
278.10568	2.7
279.07697	3.4
279.11285	4.1
285.03946	3.4
285.12488	9.8
287.02679	0.9
289.09842	1.1
291.08090	1.2
291.11462	1.8
292.08511	1.5
293.09436	7.1
293.12726	1.3
294.09906	1.5
295.10812	2.3
299.98972	2.3
300.99960	21.2
301.03256	0.9
302.00134	2.2
305.09293	3.5
307.10849	2.7
309.12476	1.3
314.12515	2.2
316.14539	1.6
321.08853	1.7
321.12360	1.5
327.13409	1.7
328.10950	2.1
337.08234	1.7
337.11899	1.2
339.09979	1.6
340.10876	1.5
340.14468	6.5
343.13092	1.4
345.46396	0.8
351.09799	1.2
354.12534	1.2
356.13950	2.0
357.14865	1.3
358.15622	2.5
368.14053	1.4
370.15750	1.4
372.17340	1.1
382.15823	1.0
384.13251	5.1
384.17609	1.0
385.13397	1.0
396.13437	1.9
397.14044	1.2
398.14917	3.2
400.16653	6.3
410.15298	1.5
411.15796	1.2
412.16766	4.8
426.14398	1.4
430.93881	1.0
438.14395	1.2
444.15143	1.7
458.17294	1.0
486.16495	1.8
517.18115	1.6
591.22443	1.8
620.22363	2.0
621.23572	1.3
638.23401	3.7
648.21753	2.6
649.22742	1.6
666.23071	14.4
667.23480	1.3
677.40808	0.9
680.24384	2.1
694.25604	1.4
712.27301	8.9
713.28162	1.2
727.29651	6.2
743.28131	0.9
753.27698	18.5
754.28204	3.9
759.32025	1.3
771.28876	64.5
772.29474	8.9
785.30450	17.4
786.30737	2.9
795.28711	1.6
803.31476	100.0
804.31787	14.6
813.29071	1.7
835.34027	25.2
836.34332	4.5
845.32635	10.3
846.32501	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	997.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	0.9
76.50493	0.6
82.08122	0.6
86.21996	0.5
89.02317	0.7
90.79546	0.6
95.01273	1.4
101.02303	0.7
107.01226	0.6
111.00733	0.9
111.60017	0.7
117.03329	1.4
119.04940	1.0
123.00030	0.5
123.00768	3.7
125.02362	5.0
127.25832	0.6
129.03429	0.6
131.04967	0.6
132.02113	0.9
133.02881	1.4
137.02394	0.7
137.29814	0.5
143.01344	1.2
144.02013	0.7
145.02907	4.0
146.03629	0.6
147.00777	0.8
147.04439	1.5
148.01552	1.0
149.02344	0.9
151.00227	1.3
157.02841	0.6
158.03571	0.6
159.04472	1.3
160.01569	1.8
161.02356	1.9
163.00288	1.1
163.03865	2.0
165.01793	0.8
169.01343	4.3
171.00850	1.1
172.01620	1.3
173.02365	3.6
174.03064	1.3
175.00233	0.6
175.03905	2.8
176.01097	1.5
177.01831	1.5
179.03459	0.7
185.02394	4.0
187.00232	0.9
187.03856	1.2
188.01059	2.5
189.01836	2.1
190.02618	1.3
190.99820	1.3
191.03430	1.4
199.00290	1.3
200.01056	1.9
201.01865	7.4
202.02544	1.2
203.03444	4.7
204.00565	1.3
205.01289	3.4
205.04904	1.0
211.02501	0.8
213.01830	0.8
214.99686	1.0
215.03416	0.9
216.00606	2.1
217.01376	3.1
219.02895	1.6
226.99786	1.3
227.03448	1.7
228.00629	1.4
229.01390	9.2
230.02011	1.2
230.99442	1.2
231.02968	3.6
232.00142	2.7
233.04616	2.1
240.04059	0.8
242.99388	1.1
243.03011	1.2
244.00063	1.8
245.00888	9.5
246.01614	1.0
247.02469	7.3
248.03204	2.1
249.04021	4.4
255.02962	2.5
257.00925	5.8
258.01645	1.6
259.02493	2.9
261.04007	5.2
264.02765	1.8
271.99661	2.9
273.00415	6.9
274.01178	2.2
275.01971	20.5
276.02353	1.4
283.99609	3.2
284.03348	2.4
285.03973	1.6
287.01947	6.2
288.02682	1.5
289.03311	0.9
290.00693	0.7
298.98456	0.7
299.99084	4.3
300.02505	0.9
300.99902	100.0
302.00214	6.0
303.01511	1.9
304.02213	1.3
305.03040	2.2
331.00964	10.3
332.00995	1.0
337.05695	4.3
349.02322	0.8
362.98920	1.2
363.03568	25.9
364.04047	1.3
381.04605	1.9
417.08185	2.7
418.08643	1.0
437.07217	0.7
463.05084	4.7
633.07330	60.2
634.07623	7.0
695.11157	0.8
997.11438	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	997.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01249	2.5
86.89837	0.8
89.00226	1.1
91.07948	0.9
93.03320	1.8
95.01257	2.5
105.03362	1.7
107.01268	2.1
107.04926	0.9
109.02837	1.0
111.00771	8.7
113.02337	1.1
117.03352	4.4
119.04871	2.0
120.23277	0.8
121.02822	2.0
123.00777	3.9
123.04427	1.2
125.02332	4.2
127.00275	2.1
127.46342	0.9
129.03316	1.3
131.01248	2.2
132.02109	2.1
133.02844	5.2
135.00755	1.0
135.04436	1.0
137.02254	1.0
137.40942	1.0
139.00262	9.3
143.01251	1.6
145.02863	11.0
147.00757	3.0
147.04402	2.8
148.01501	1.2
149.02354	3.7
149.12819	1.0
151.00188	1.4
154.99741	2.6
157.02855	2.3
159.00807	3.3
160.01584	2.5
161.02368	13.6
162.02989	1.9
163.00325	5.1
163.03932	4.6
164.01074	1.6
165.01886	1.8
166.99834	1.1
169.01347	6.0
171.00761	2.1
172.01517	1.7
173.02386	8.2
175.00232	3.8
175.03931	5.6
176.01022	2.6
177.01872	10.7
178.99812	2.1
179.03468	1.8
182.11649	1.0
182.99286	8.0
185.02382	3.9
187.00218	6.2
187.03995	1.4
188.00977	2.2
189.01874	14.3
190.02681	5.8
190.99710	2.0
191.03433	7.0
192.00475	1.7
193.01451	2.1
194.99292	2.6
199.00375	1.8
200.01047	2.1
201.01863	9.1
202.99843	4.4
203.03447	3.9
204.00574	2.4
205.01392	8.7
205.04890	1.0
207.02899	2.8
209.00833	1.6
214.99823	9.0
216.00586	4.1
217.01360	17.2
218.01961	1.7
218.99286	2.4
219.02861	4.7
221.00798	2.5
226.99837	2.7
229.01392	12.1
230.02068	1.4
230.99252	7.0
231.02956	3.0
232.00061	1.7
233.00891	7.7
235.02461	2.9
242.99348	8.8
243.02942	1.6
244.00027	4.8
245.00897	20.2
246.01363	2.4
247.02483	7.4
248.03078	1.1
249.00339	1.2
249.04063	3.1
257.00800	6.2
258.01486	1.4
258.98743	4.6
259.02435	1.3
259.99597	5.0
260.97842	1.8
261.00418	19.9
262.01013	1.6
263.01950	15.3
270.98834	21.0
271.99487	4.1
273.00430	24.9
274.00983	4.2
275.01987	12.9
276.99857	1.9
283.99570	2.9
286.98431	11.8
287.01544	1.6
288.99911	17.9
290.00476	1.3
291.01477	4.8
298.98349	26.5
299.01788	1.3
299.99115	16.3
300.99902	100.0
302.00235	7.4
302.97797	1.5
303.01315	2.2
303.98380	1.1
304.99677	2.0
305.03012	3.9
307.00964	6.3
314.97824	7.7
315.98627	5.2
316.99374	47.1
317.99765	3.2
319.00656	1.7
331.00937	3.0
332.98862	3.8
345.76736	1.0
347.00516	2.4
349.02032	4.9
362.99841	1.9
387.12784	1.3
391.03165	1.1
405.04688	1.2
433.03720	1.9
451.05112	3.2
463.05228	1.2
600.50964	1.1
641.06000	1.1
751.04071	2.0
753.05939	1.4
964.08533	2.5
965.07739	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	997.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50249	3.5
69.50672	7.7
75.02264	1.6
76.33241	1.3
83.01241	1.4
91.41325	1.3
92.47254	1.2
95.01273	1.6
98.19779	1.5
105.03316	1.5
111.00767	5.0
116.10549	1.7
117.03348	6.1
119.01272	1.8
119.04879	2.3
121.02837	1.8
123.00762	3.0
124.01561	1.4
125.02330	5.1
127.00249	2.4
131.01274	3.2
132.02130	1.4
133.02859	5.2
135.04410	2.0
139.00281	6.1
143.01244	1.7
145.02838	9.8
147.00798	3.2
147.04434	3.5
149.02318	4.0
151.00261	2.6
154.99690	2.4
157.02733	1.7
159.00806	2.9
160.01575	1.5
161.02321	12.1
163.00238	6.6
163.03896	4.9
164.01051	2.9
165.01894	2.0
166.99690	1.4
169.01366	6.4
171.00790	3.5
172.50235	1.6
173.02400	10.2
175.00287	4.8
175.03952	3.1
176.01010	3.2
177.01816	9.3
178.99731	2.0
179.03365	1.7
182.99326	6.5
185.02370	3.8
187.00249	8.3
188.01141	1.8
189.01897	13.6
190.02603	4.3
191.03424	5.4
193.01367	2.7
194.99338	1.5
199.00305	2.1
200.01117	2.1
201.01892	5.6
202.99799	3.4
203.03421	3.7
205.01357	7.9
206.01990	2.0
207.02928	1.5
214.99875	7.5
216.00534	4.5
217.01323	18.1
218.02058	1.5
219.02893	2.5
221.00801	2.4
226.99915	2.4
228.00612	2.0
229.01378	8.0
230.99298	6.8
231.02919	3.0
232.00044	2.9
233.00880	8.0
235.02428	2.9
242.99290	9.7
244.00076	3.9
245.00897	19.0
246.01532	2.0
247.02411	5.1
249.04047	4.4
257.00928	5.0
258.98889	4.5
259.99533	3.5
261.00323	14.8
263.01956	13.2
270.98907	19.2
271.99396	3.0
273.00424	24.6
274.00986	4.3
275.01935	11.3
276.02722	1.6
276.99777	2.8
283.99667	2.3
286.98273	12.3
288.99915	16.8
290.00311	1.6
291.01364	4.7
298.94855	1.6
298.98358	28.9
299.99130	20.0
300.02359	1.9
300.99887	100.0
302.00241	5.0
302.97775	2.3
304.99478	2.7
307.00952	5.3
314.97748	6.8
315.98547	4.0
316.99380	44.0
330.97412	1.6
332.98724	4.7
347.00253	1.3
349.02307	1.9
401.18069	6.2
433.03616	2.1
451.04993	4.0
461.03821	1.7
595.12836	3.5
596.96979	1.4
633.06335	1.7
751.05164	3.4
829.07690	1.9
933.08240	1.7
964.08270	2.7
1022.21552	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5584
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03317	1.7
71.01251	22.6
72.99195	1.8
73.02828	3.8
81.03340	1.2
83.01262	2.7
85.02828	5.8
87.00754	5.3
88.98684	1.1
89.02316	21.7
92.92674	1.8
93.06969	1.3
93.26413	0.8
95.01278	1.9
96.95904	2.3
97.02817	4.3
98.19827	1.9
99.00806	1.1
100.74861	0.7
101.02322	21.1
109.42654	0.8
113.02333	9.1
117.56368	0.7
119.03390	6.3
121.10123	21.0
125.02340	9.0
132.02902	1.1
137.02464	0.8
137.05986	4.0
143.03394	5.2
155.07051	9.1
161.04520	4.5
165.09106	10.4
166.09473	0.9
169.01318	1.4
179.05522	5.0
221.06592	1.7
235.08167	9.8
253.09291	2.7
263.07739	0.9
277.21667	1.2
287.07736	2.9
293.24860	75.9
294.25284	5.7
305.08710	4.3
323.09924	1.8
362.14465	0.8
397.13489	100.0
398.13760	5.0
415.14572	35.0
416.14972	1.1
691.38544	1.8
773.97119	0.9
943.42664	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	992.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60530	13.1
71.88710	1.9
75.15967	1.6
95.01266	2.6
106.79737	1.9
109.02841	2.8
119.04936	2.3
121.02849	2.7
123.00771	4.1
125.02311	7.5
131.04944	2.9
133.02887	2.3
137.02318	7.2
145.02859	4.3
147.04401	3.6
148.00330	3.1
149.02327	7.0
149.05986	4.3
157.02869	1.9
159.04427	5.8
161.02325	4.0
161.05977	4.4
163.00259	6.0
163.03920	4.2
163.16066	1.9
164.01155	1.9
165.01828	5.6
169.01340	6.4
173.02319	5.6
173.45187	1.9
174.03165	2.1
175.03947	13.0
177.01828	8.1
177.05560	4.8
185.02321	2.7
187.03900	5.1
189.01823	4.9
190.02684	4.3
190.99806	2.6
191.03371	9.3
193.01453	8.6
193.04996	2.1
201.01846	6.2
203.03447	24.4
205.01366	9.0
205.05016	16.3
208.02377	3.2
213.01797	2.4
214.02650	2.0
216.00555	2.7
217.01401	5.8
219.02858	3.8
221.04550	7.1
226.99710	2.5
229.01471	13.2
231.02968	10.6
233.00864	2.9
237.00401	5.8
242.04414	2.3
243.02989	2.4
243.99974	3.8
245.00853	9.5
247.02477	18.8
249.04031	9.5
257.00839	7.4
261.00403	2.5
268.02316	2.1
269.00793	2.8
270.03989	4.5
270.98920	4.5
273.00446	9.2
274.01184	9.8
275.01987	38.8
276.02277	4.0
283.99405	2.3
285.00369	2.6
286.03589	2.5
291.01675	4.2
293.02930	9.6
296.02008	2.5
298.98245	6.3
299.95966	3.4
299.99106	40.5
300.99905	100.0
302.00146	7.2
312.99805	5.1
314.03030	9.1
319.00906	11.4
321.99979	4.5
324.01489	3.2
333.87195	2.5
337.02002	16.9
340.00986	21.6
387.58582	2.0
463.05341	2.1
481.06070	2.4
502.06546	2.2
636.05328	2.3
783.07190	3.2
840.08398	2.2
880.73022	1.9
925.10223	2.5
934.09460	2.2
952.08038	6.5
974.09717	3.7
992.10059	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	991.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01248	3.1
71.57096	5.0
78.49010	2.5
84.30518	2.6
95.01233	4.1
96.95859	4.9
101.02385	3.3
107.01364	3.1
125.02354	6.4
155.76527	2.8
161.99043	3.1
169.01360	6.0
190.02721	3.6
193.01357	7.0
209.11772	4.1
214.02705	2.6
218.02151	5.3
221.00853	4.9
228.00597	3.2
229.01442	4.3
243.02908	3.0
245.00861	5.1
257.00900	4.0
258.01660	4.2
271.02579	3.2
273.00369	5.7
274.01169	43.9
274.03821	4.6
275.01804	4.0
281.04465	3.0
287.01962	8.8
299.01993	16.1
299.99124	3.6
300.02820	3.9
300.99905	18.7
312.02829	8.2
325.03503	5.2
340.05762	3.9
451.14063	45.0
463.27765	4.0
469.15201	16.2
495.12851	3.5
696.21021	4.1
705.23663	10.4
915.36426	17.4
916.37494	3.0
947.39880	27.1
948.40155	6.5
959.35718	17.3
973.37152	32.3
991.38116	100.0
992.39563	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	989.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37134	13.6
71.01257	2.7
73.41943	1.3
75.29579	1.2
83.04880	1.2
95.01254	1.7
96.95869	1.9
101.02315	2.0
113.02335	1.8
123.00787	1.6
125.02335	4.7
137.02333	1.8
137.40048	1.2
150.03162	2.2
153.01852	1.4
165.01840	2.1
165.05437	4.0
169.01285	3.8
171.04401	1.7
171.10162	1.5
181.05029	1.6
183.04495	1.8
186.42049	1.5
189.01840	1.5
193.25246	1.4
195.06589	1.8
198.03094	1.3
199.03979	3.1
204.00600	1.6
209.11772	4.4
210.03246	1.6
211.03960	2.7
211.13300	3.4
215.60872	1.7
222.06783	1.6
225.01866	1.6
226.02689	1.9
227.03508	3.9
229.01367	6.1
230.99391	3.3
239.03458	3.2
240.04276	2.0
242.02109	2.4
243.02805	2.5
244.00113	1.5
245.00858	2.8
254.02179	1.8
255.02957	5.6
265.05121	1.4
267.02832	2.3
268.03918	2.5
269.00858	12.3
270.98981	2.9
271.02267	4.0
273.00360	2.0
280.03705	1.9
281.01178	1.7
282.01807	2.8
283.02652	7.0
283.05496	1.9
283.99646	1.8
284.02789	1.6
285.00409	4.4
285.03940	1.8
295.02402	4.1
296.03180	2.1
297.00415	4.8
298.01154	2.7
299.01907	2.8
299.99078	3.9
300.99847	4.7
303.01538	2.4
305.02966	3.8
310.01181	2.3
311.01938	10.3
323.02066	2.2
323.99097	3.2
324.02679	2.0
324.99774	3.1
327.01291	7.7
329.23428	6.4
341.10306	1.7
351.12720	1.5
357.02579	1.8
395.63101	1.3
476.71573	1.8
748.49854	1.5
945.37769	2.5
989.36542	100.0
990.37024	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	987.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86134	5.7
70.86464	3.5
70.97328	2.7
77.49766	2.7
96.81775	2.8
98.20407	2.8
111.00713	2.7
113.46268	2.6
119.04894	4.3
121.02841	5.3
121.06514	6.5
123.00766	5.4
125.02349	2.6
131.04889	2.9
133.06479	11.6
135.04378	7.9
137.02370	5.0
145.02849	7.1
147.04492	3.1
148.04721	3.2
149.02319	9.0
149.05971	4.9
151.03900	11.3
159.04416	9.4
161.02361	3.5
161.05980	17.2
162.03137	5.1
163.03938	25.1
165.01833	3.3
169.01326	3.4
173.02373	4.7
175.03958	11.9
177.01843	5.1
177.05493	8.0
187.03955	14.3
189.01834	7.7
190.02602	8.1
191.03398	4.5
193.01355	29.6
201.01788	5.0
203.03444	16.6
205.05052	29.4
217.01303	5.2
219.03105	3.8
221.04526	7.5
222.01976	3.3
229.01398	4.7
231.02887	5.3
233.00916	4.5
242.99344	3.4
245.00870	8.7
247.02505	23.1
249.04118	21.4
257.00891	3.7
261.00470	5.8
265.03592	4.0
270.98804	6.6
273.00381	14.1
275.01956	18.8
291.01596	5.4
293.02701	4.5
298.98334	5.9
299.98984	9.6
300.99915	100.0
302.00372	12.9
303.00391	3.9
316.99405	97.9
317.99619	6.5
332.72476	3.0
337.02014	98.6
338.02432	6.2
353.01450	5.3
421.16077	2.7
463.05304	5.9
481.06076	12.1
593.59668	3.3
605.08081	3.6
613.04504	12.3
631.05865	9.4
633.07336	26.6
634.07196	4.6
649.06824	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	985.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
68.61973	0.5
73.02807	0.7
93.03288	0.5
95.01274	1.5
98.19749	0.9
99.00761	1.4
103.05447	0.6
105.52365	0.5
107.01273	0.7
109.02812	1.3
111.00736	0.6
117.01798	0.6
117.03371	0.9
119.01275	0.6
119.04895	1.8
121.02826	1.0
123.00750	1.9
124.01554	0.9
125.02333	6.5
129.03342	0.8
130.04176	0.7
131.04904	1.5
132.01967	0.5
133.02844	0.9
133.06490	1.1
135.04384	1.6
137.02327	1.8
139.00232	0.7
143.04900	0.5
143.35797	0.5
145.02887	2.6
147.00786	0.8
147.04425	3.9
148.01497	1.3
149.02303	2.4
149.05975	1.3
151.03900	0.7
157.02832	0.9
158.03622	0.5
159.04430	4.1
160.05069	0.5
161.02364	2.2
161.05954	1.6
161.72760	0.4
162.03104	0.8
163.00262	1.1
163.03903	4.5
164.01082	2.1
165.01816	1.3
166.99635	0.5
169.01346	4.7
173.02328	3.1
174.03055	0.8
175.00293	0.6
175.03935	7.0
175.05608	0.5
175.05913	0.4
176.00999	0.9
177.01816	3.4
177.05487	3.2
179.03416	0.9
185.02365	3.5
187.03951	4.5
189.01881	3.5
190.02557	3.4
191.03418	7.4
192.00557	1.1
193.01360	2.3
201.01888	4.0
203.03448	17.2
204.03970	1.0
205.01427	1.3
205.05008	16.2
206.05290	0.7
207.02892	3.2
213.01936	1.7
216.00514	1.1
217.01421	2.3
218.99318	0.9
219.02972	3.4
221.00911	0.6
221.04555	1.7
226.99826	0.7
228.00490	0.9
229.01379	7.1
229.81390	0.6
231.02943	17.6
232.03412	0.9
237.00478	0.7
244.00099	0.7
245.00867	5.1
247.02484	4.0
248.03004	1.1
249.03990	4.3
251.02000	3.7
254.99226	0.5
257.00842	4.9
258.01440	1.3
259.02631	0.5
263.05548	1.2
270.98892	0.6
273.00369	3.4
274.01086	1.4
275.01971	16.0
276.02341	1.0
283.99594	2.9
291.01398	0.8
293.03104	2.9
298.98334	0.8
299.99139	4.8
300.02325	0.7
300.99887	100.0
302.00220	6.1
307.04590	4.6
315.01605	0.8
316.99515	2.6
317.99695	1.1
319.00958	4.5
325.05542	3.1
337.02084	3.4
343.00824	0.7
347.00467	0.6
351.03513	10.2
352.04034	0.8
369.04669	1.4
437.07196	0.7
445.03915	1.5
463.05267	2.6
481.06396	2.5
513.08783	1.4
615.06396	1.2
633.07233	3.1
735.39362	0.5
739.26581	0.4
783.06830	1.4
801.08014	0.7
815.09448	0.9
911.59076	0.6
935.07849	1.0
953.09131	5.4
954.08246	0.8
985.12250	2.2
986.12616	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
74.33395	1.3
74.35800	1.4
83.01247	1.5
93.03354	1.3
95.01276	2.1
98.19776	4.9
105.03391	1.6
111.00783	5.4
117.03365	3.8
119.04948	1.7
121.02802	1.9
123.00773	3.9
125.02328	4.5
133.02850	3.7
135.04407	1.3
137.02347	2.9
139.00287	4.9
143.42149	1.2
145.02849	8.9
147.04439	4.6
149.02362	3.1
159.00890	1.9
159.04399	2.8
161.02350	9.9
163.00296	3.3
163.03838	6.2
164.01089	1.6
165.01859	1.9
169.01334	4.2
173.02411	8.6
175.00365	1.8
175.03958	6.5
177.01904	8.6
179.03401	1.5
182.99316	3.5
185.02368	4.6
187.00320	3.7
187.03906	2.1
189.01868	9.5
190.02652	2.5
190.99951	1.4
191.03448	10.4
193.01437	2.2
194.99374	2.3
201.01910	9.7
202.99779	3.2
203.03444	7.8
205.01382	3.8
205.05115	2.0
206.99226	1.4
214.99812	4.5
216.00604	2.2
217.01382	13.8
217.09364	1.5
218.01903	1.9
219.02948	5.0
226.99812	2.4
228.00684	1.5
229.01373	12.2
230.01694	1.9
230.99356	3.6
231.02965	5.7
233.00891	4.2
242.99281	5.5
244.00142	1.4
245.00888	22.4
246.01193	2.2
247.02492	26.5
248.02968	2.9
249.03931	2.7
257.00812	8.4
258.01492	2.4
258.98840	1.9
259.99393	2.0
261.00375	9.8
263.01984	6.5
264.02316	1.7
270.98782	14.9
271.99335	3.3
273.00418	26.1
274.01010	4.4
275.01956	22.4
276.02090	1.8
283.99701	3.6
285.00613	1.6
286.98242	4.5
288.99774	7.4
291.01483	10.8
298.98297	19.1
299.99048	13.8
300.99899	100.0
302.00330	10.4
303.00525	3.0
307.00940	1.9
314.97806	4.3
315.98712	1.6
316.99408	23.9
317.99622	4.2
332.98935	3.2
435.05573	2.9
463.04953	2.6
633.07513	2.8
709.07391	1.7
719.04663	1.5
735.05286	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	983.5587
Annotation	Unknow
Peak:m/z	Relative Intensity
68.07729	1.1
69.03336	2.7
71.01254	28.3
71.32287	2.9
72.99174	2.7
73.02818	4.2
73.11865	1.1
78.95781	5.3
79.95619	2.2
81.03368	1.4
83.01246	3.3
85.02805	7.1
87.00749	8.1
89.02321	24.1
89.52440	1.2
93.52795	1.4
95.01261	2.2
96.95891	56.8
96.96863	4.7
97.02801	6.3
101.02314	24.3
102.00610	1.1
108.01891	1.1
111.08038	4.3
113.02335	10.6
119.03371	6.9
121.10138	11.4
125.02329	9.1
131.03296	1.1
137.05959	1.3
137.35678	1.3
143.03407	4.1
155.07011	2.8
161.04407	5.2
165.09113	16.7
169.01300	3.6
169.12256	1.5
175.37854	1.1
177.14325	1.1
179.05518	5.6
195.13841	6.4
197.11763	21.0
199.06091	1.3
211.13364	5.0
221.06560	2.2
223.13379	2.1
235.08211	12.1
253.09181	2.7
275.20123	2.1
281.24866	55.6
287.07669	2.0
291.19638	10.9
292.20123	1.4
293.21225	53.5
294.21512	3.8
300.99677	1.5
305.08694	4.1
309.20706	42.5
310.21100	2.8
323.09656	1.6
379.12283	1.9
397.13498	100.0
398.13718	5.6
415.14575	36.5
538.38666	1.2
585.41254	2.3
613.93365	1.1
679.38934	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	983.558
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03332	1.1
69.43106	1.7
69.43526	3.4
71.01251	9.4
72.99197	1.1
73.02818	0.9
78.95778	5.8
79.95599	4.8
80.91546	1.0
83.01255	0.9
85.02827	2.7
86.35011	0.6
87.00752	1.9
89.02315	7.9
96.95888	100.0
96.96876	4.8
97.02821	2.5
98.20547	1.5
99.00780	0.6
101.02313	7.4
104.05282	0.6
111.08047	5.2
113.02331	3.5
114.16074	0.6
119.03391	2.5
125.02332	3.8
143.03395	1.2
161.04469	1.3
169.01352	0.9
169.12303	1.3
171.10196	1.2
179.05519	2.8
181.12201	1.0
195.13878	5.0
197.11754	26.5
198.12247	1.0
199.13347	1.9
209.11737	1.0
211.13258	3.2
221.06630	1.0
223.13390	2.7
227.12798	0.8
235.08144	1.4
253.09225	0.7
263.20264	1.4
275.20190	3.7
277.21774	1.3
287.07657	0.8
291.19666	10.3
292.20486	0.7
293.05963	0.7
293.21219	63.0
294.21542	4.8
300.99850	1.1
305.08759	1.0
309.20697	45.9
310.21011	2.7
379.12454	1.3
397.13498	21.1
398.13730	1.1
415.14517	13.6
416.14868	1.1
502.26892	0.7
585.41736	1.2
689.33563	0.9
691.35205	1.3
707.35364	1.5
837.34216	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01245	1.1
71.05954	0.3
72.99184	0.2
78.95314	0.2
78.95777	4.3
79.95612	4.6
80.37485	0.1
83.04906	0.2
85.02817	0.3
87.00757	0.3
89.02327	0.8
94.97963	0.4
96.95893	100.0
96.96783	5.3
97.02807	0.2
97.95815	0.2
101.02321	0.8
106.61990	0.2
111.08047	0.3
113.02357	0.2
117.81845	0.1
119.03395	0.1
119.98653	0.1
121.37866	0.1
125.02358	0.4
143.03445	0.2
169.01161	0.2
179.05568	0.2
195.13844	0.2
197.11749	1.1
209.11792	1.6
210.63538	0.2
213.97594	0.2
223.13451	0.2
235.08203	0.3
265.07516	0.8
275.20200	0.3
277.21683	0.6
291.19714	0.7
293.21201	3.7
294.21695	0.2
307.08624	0.2
309.20694	2.8
344.00421	0.2
379.12482	0.3
389.19650	0.1
397.13522	1.9
415.14810	0.8
435.08231	0.3
453.09482	0.5
525.29175	0.4
627.19598	0.3
645.21136	0.3
713.30493	0.4
720.40686	0.2
936.92072	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	2.5
71.57176	0.3
72.99186	0.2
73.02805	0.5
73.82084	0.2
78.95777	4.1
79.95166	0.4
79.95607	4.7
85.02810	0.8
87.00745	0.7
89.02319	2.1
94.97968	0.2
95.97520	0.3
96.95888	100.0
96.96770	4.1
97.02831	0.3
101.02321	1.6
111.08030	1.3
113.02322	0.9
119.03343	0.4
125.02341	1.1
161.04430	0.4
169.01306	0.3
169.12247	0.6
171.10136	0.3
179.05569	0.7
179.10432	0.2
195.13853	0.9
197.11761	6.3
198.12209	0.3
199.13254	0.4
209.11806	1.3
211.13358	1.5
214.99962	0.2
221.06680	0.4
223.13341	0.9
227.12823	0.5
228.13222	0.2
235.08195	0.6
253.09081	0.9
263.20166	0.5
265.07446	0.3
275.20215	0.7
277.21768	1.2
291.19614	2.2
293.21210	13.4
294.21494	0.5
301.39133	0.2
302.49368	0.2
305.08762	0.3
309.20691	12.8
310.21124	0.8
317.52811	0.2
379.12604	0.3
397.13452	4.6
398.14084	0.3
410.18393	0.2
415.14575	3.6
436.64777	0.2
585.41724	0.5
645.20844	0.3
707.35101	0.5
713.30109	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
71.13044	1.4
80.26643	0.5
83.01254	0.7
86.16643	0.6
89.03852	1.1
94.67497	0.6
95.01266	2.0
101.03802	0.6
105.03318	0.6
107.01320	0.7
109.02785	0.6
111.00762	2.4
117.03362	3.0
119.04906	1.9
121.02850	1.6
123.00770	3.3
124.01623	0.7
125.02345	7.7
129.03308	1.1
131.01282	1.0
132.67633	0.6
133.02850	2.4
135.04376	1.2
137.02414	1.4
139.00249	2.7
141.01830	0.6
143.01344	0.6
145.02870	8.0
147.00818	1.9
147.04395	3.3
148.01575	1.0
149.02344	1.9
151.00272	1.4
152.58739	0.6
155.01477	0.6
157.02882	2.9
158.03641	1.3
159.00746	0.9
159.04431	1.9
160.01563	1.8
161.02353	7.2
162.03049	1.0
163.00284	2.3
163.03940	4.2
164.01094	0.9
165.01855	1.0
166.99803	0.9
169.01334	7.6
171.00790	0.7
173.02368	7.3
174.03085	2.1
175.00298	1.1
175.03923	4.4
176.01086	1.9
177.01831	4.7
177.05571	0.8
178.55995	0.6
179.03511	0.8
182.99239	1.9
185.02379	5.5
187.00314	2.4
188.01108	1.0
189.01854	7.2
190.02626	2.9
191.03418	4.3
192.00571	1.0
193.01370	1.3
200.01140	1.0
201.01854	10.5
202.02609	1.3
202.99767	1.7
203.03432	8.3
204.00571	1.9
205.01372	4.5
205.05017	1.2
206.99249	0.7
207.02925	1.6
209.00945	1.2
211.02441	0.9
213.01865	1.1
214.02567	0.7
214.99788	2.5
216.00606	4.9
217.01385	8.0
217.04915	1.2
218.01950	1.4
219.02846	2.9
226.99898	1.1
228.00346	0.8
229.01387	14.6
230.02029	1.8
230.99316	2.2
231.03001	3.7
232.00005	1.5
233.00871	3.3
233.04482	1.4
235.02510	0.7
242.99399	3.8
244.00107	1.7
245.00909	13.0
246.01509	2.7
247.02478	5.3
248.03130	1.8
249.04095	3.5
254.99280	0.8
257.00876	6.6
258.01596	2.0
258.95935	0.6
258.98895	2.1
259.02487	0.9
259.99564	1.1
261.00443	4.6
261.04050	4.3
263.02036	3.8
270.98853	6.4
271.99387	1.2
273.00403	14.6
274.00983	3.3
275.02005	16.7
276.02310	0.7
277.00076	1.1
277.03510	2.6
279.05136	1.4
282.98889	0.6
283.99576	3.6
286.98410	4.0
287.01550	1.2
288.99878	4.5
290.00327	0.8
291.01419	3.9
298.98340	11.1
299.99103	6.8
300.99896	100.0
302.00211	7.3
303.01111	2.4
304.99536	0.8
305.03018	11.1
307.00891	1.4
314.00739	0.6
314.97861	2.4
315.98599	1.2
316.99405	15.7
317.03000	1.2
317.99686	2.7
319.00449	1.7
323.04144	1.2
332.98895	1.4
347.00449	10.2
347.04477	0.9
348.00861	0.9
349.02118	5.0
423.05811	0.7
451.05344	0.8
463.04938	2.7
481.74667	0.6
615.05804	0.6
621.84631	0.7
633.07336	45.4
634.07806	6.2
635.08954	2.2
939.11932	1.1
951.06451	0.9
983.09906	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87872	3.3
71.00681	0.7
77.89593	0.5
95.01263	3.3
103.23308	0.6
107.01264	1.1
111.00763	1.7
117.03342	2.9
119.04913	1.4
121.02811	1.2
123.00772	6.4
125.02361	4.2
129.03305	0.6
131.01289	1.4
132.02071	0.9
133.02852	2.8
135.04425	0.8
139.00264	1.6
143.01247	0.9
145.02875	6.4
147.00812	1.3
147.04424	2.2
149.02364	1.2
154.99719	0.7
157.02859	2.2
159.00740	1.4
159.04390	1.1
160.01541	0.9
161.02316	4.8
163.00294	1.6
163.03920	3.6
164.00993	0.6
166.99776	2.6
169.01347	4.4
171.00803	3.9
172.01535	1.3
173.02339	6.2
175.00287	1.0
175.03871	2.8
176.01134	0.9
177.01863	3.6
179.03384	0.9
182.99266	2.1
185.02339	3.4
187.00261	2.9
187.03868	1.3
188.01045	1.1
189.01865	8.1
190.02588	1.2
190.99806	0.7
191.03459	4.2
192.97900	0.7
193.01370	1.0
199.00320	3.7
200.01018	1.7
201.01888	8.2
202.99767	1.0
203.03458	2.5
205.01357	3.3
207.02928	1.0
213.01854	1.2
214.99788	3.0
216.00565	2.0
217.01364	9.9
218.01826	1.3
219.02922	2.1
226.99829	6.9
228.00531	1.5
229.01379	12.1
230.01817	0.9
230.99307	1.4
231.02963	2.1
231.99968	1.1
233.00957	2.8
235.02505	1.1
241.01202	0.7
242.99257	4.7
243.03043	0.7
244.00000	2.0
245.00899	11.7
246.01454	1.2
247.02446	9.4
248.02803	0.7
249.03893	1.8
253.01180	0.7
254.99336	2.4
257.00980	5.4
258.01651	0.6
258.98892	0.8
259.99597	1.6
261.00385	6.2
263.01865	4.1
270.98868	11.5
271.99384	1.6
273.00427	14.2
274.01111	2.0
275.01984	8.8
283.99762	2.9
284.02628	0.6
285.00293	1.0
286.98438	4.5
287.01495	1.1
288.99969	3.8
290.00284	0.7
291.01465	2.8
298.98337	18.7
299.99075	11.8
300.99896	100.0
302.00208	5.8
307.00748	0.9
314.97910	1.8
315.98700	0.8
316.99423	11.0
317.99677	0.8
332.98862	1.6
361.98758	0.6
385.44168	0.6
451.05249	0.9
495.92334	0.7
613.04846	2.4
631.05804	0.9
633.06757	1.3
649.50995	0.7
708.89252	0.6
729.03833	0.8
761.06293	2.8
915.04126	0.7
929.06708	3.6
930.09058	0.8
937.08838	0.8
947.08264	0.7
977.02631	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01221	0.6
71.57789	0.6
74.89799	0.4
77.15982	0.3
79.01771	0.4
83.33576	0.4
87.00773	0.4
89.02344	0.4
89.90833	0.4
91.01752	0.5
93.03333	0.6
95.01260	0.7
97.02826	0.5
99.00733	0.6
101.02338	0.4
107.01289	1.0
109.02839	1.1
117.03364	0.6
119.01258	0.4
119.04900	0.4
121.02855	0.9
123.00763	1.8
124.01585	0.4
125.02338	4.9
133.02846	1.1
137.02332	3.5
139.00287	0.6
145.02840	2.4
145.92096	0.4
147.00772	1.2
147.04399	1.5
148.01613	0.4
149.02333	1.1
151.00249	0.5
157.02844	1.0
159.04445	0.5
161.02310	1.9
163.00293	6.6
163.03925	1.6
164.00920	0.6
165.01842	3.4
169.01335	8.8
173.02321	2.8
174.03072	0.5
175.00305	0.4
175.03897	1.9
177.01892	2.9
178.99785	0.6
185.02351	2.5
187.03841	0.4
189.01884	1.7
190.02649	0.9
190.99786	1.5
191.03404	2.1
194.34972	0.4
200.01054	0.4
201.01836	4.1
202.99808	1.5
203.03386	1.6
204.12469	0.4
208.00191	0.5
209.00850	4.0
211.02303	0.4
213.01883	0.8
216.00490	0.8
217.01350	3.6
218.01936	0.6
219.02892	1.6
219.53780	0.4
221.00906	0.6
226.99889	0.6
228.00441	0.5
229.01364	6.6
229.05026	0.5
230.01804	0.8
230.79662	0.4
231.02939	1.6
233.00824	0.7
243.99875	0.5
245.00864	4.6
246.01501	0.5
246.98888	1.7
247.02432	2.4
248.03114	0.6
249.03923	2.2
254.99454	0.5
257.00909	4.0
258.01514	0.6
258.98938	0.4
259.99631	0.4
261.00403	1.0
269.98062	1.7
270.98804	1.3
271.02216	0.4
271.99554	0.6
273.00415	4.6
274.01028	1.3
275.01990	7.2
276.02261	0.6
282.98856	0.4
283.99612	3.5
285.00378	1.9
286.98444	0.6
291.01385	1.0
297.97543	5.1
298.98206	2.1
299.01727	0.7
299.99127	4.6
300.99893	100.0
302.00259	5.4
305.02945	0.5
312.99911	10.4
313.03183	0.4
314.00439	0.7
315.01218	0.4
316.99414	0.8
321.70612	0.4
328.02228	7.1
353.04956	0.5
391.02936	0.6
435.05685	4.3
453.06735	0.6
476.06274	0.6
491.08347	14.7
505.06808	0.6
505.86609	0.4
539.21362	1.7
540.21814	0.5
605.07654	1.3
627.27301	0.4
697.07300	0.7
737.06476	0.9
863.05750	0.7
907.08276	4.8
908.08386	0.7
951.07635	7.6
952.07861	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01235	2.6
89.00208	1.3
89.03831	1.2
93.03323	2.9
98.19746	3.1
111.00755	5.4
112.29324	1.4
117.03321	3.8
119.01269	1.8
119.04913	1.5
121.02827	3.6
123.00767	3.5
125.02326	3.6
127.00278	1.7
127.47114	1.1
131.01259	2.6
132.02129	1.8
133.02876	5.7
137.02347	2.3
139.00269	7.5
143.01311	2.2
145.02840	10.0
147.00693	1.9
147.04399	2.7
149.02321	3.0
154.99812	2.3
157.02917	1.8
157.12387	1.0
159.00830	3.4
160.01495	2.2
161.02377	11.0
162.42012	1.2
163.00258	3.1
163.03891	5.3
164.01035	1.4
165.01842	1.1
165.76486	1.1
166.99779	1.9
169.01315	4.3
169.02594	1.1
171.00772	3.6
172.01530	2.2
173.02402	7.3
174.02809	1.3
175.00313	2.5
175.03935	2.8
176.01106	2.5
177.01866	10.1
178.02751	1.0
182.99278	12.5
185.02309	2.1
187.00272	7.5
188.00970	1.9
189.01840	10.5
190.02596	3.0
190.99823	1.8
191.03444	8.4
193.01370	2.6
194.99278	1.2
195.64911	1.2
199.00166	1.8
200.01057	1.8
201.01852	6.2
202.99745	2.0
203.03465	4.6
204.00551	1.3
205.01387	7.9
206.02130	1.2
207.02945	1.1
214.99846	7.8
216.00423	3.3
217.01340	14.0
219.02956	2.8
221.00713	2.0
226.99739	2.4
228.00639	1.7
229.01399	7.5
230.99271	6.6
231.02933	2.1
231.99919	1.8
233.00890	7.8
234.01401	1.3
235.02382	3.2
242.99277	9.0
243.99979	2.5
245.00867	19.0
246.01494	1.9
247.02417	12.2
248.03226	1.9
249.03972	4.2
257.00833	3.5
258.98813	5.6
259.99667	2.8
261.00403	17.9
262.00809	1.6
263.01932	9.4
270.98849	20.8
271.99457	3.0
273.00415	29.1
274.01041	4.3
274.98590	1.6
275.01910	12.9
276.99881	4.8
279.01733	1.1
283.99606	1.7
286.98334	15.2
288.99924	19.8
291.01459	4.0
291.85654	1.4
298.98318	42.0
299.99091	14.1
300.99887	100.0
302.00217	7.8
302.97769	1.8
304.99414	4.2
307.00882	5.5
314.97864	10.1
315.98511	4.7
316.99380	55.1
317.99756	3.8
332.98795	8.0
357.33081	1.3
433.04114	2.2
435.05817	1.7
445.04123	1.3
449.03558	1.3
451.05106	4.4
461.03705	2.4
463.05136	1.8
579.02734	1.3
633.07416	2.1
735.04431	1.9
745.15094	1.2
751.03394	3.6
753.05505	1.6
763.04364	1.9
788.32178	1.2
857.04675	1.4
932.05023	1.6
950.06244	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	981.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
80.49945	1.6
93.03329	2.3
98.20601	3.9
107.60478	2.1
117.03362	3.5
119.04906	1.8
123.00829	3.1
125.02329	4.5
131.01314	2.1
133.02892	4.7
139.00247	3.1
145.02844	6.7
147.00758	2.1
159.00868	2.1
161.02354	6.1
163.00270	2.3
163.03966	5.4
169.01326	4.1
173.02354	5.7
175.00197	3.0
177.01863	3.5
180.80321	1.9
182.99258	2.8
185.02318	4.0
187.00310	5.9
189.01863	9.7
190.02722	3.8
191.03397	5.4
201.01868	8.1
202.99635	1.9
203.03419	2.7
205.01373	6.7
214.99814	6.3
216.00575	3.9
217.01393	11.0
218.01822	2.4
219.02921	1.9
229.01448	9.5
230.99199	3.9
231.02953	2.7
233.00870	3.6
242.99287	7.0
245.00848	12.7
247.02516	7.8
257.00845	5.8
258.98743	2.6
259.99567	3.5
261.00360	10.6
270.98877	18.1
271.99536	2.7
273.00479	15.8
274.01105	2.4
275.01996	20.3
283.99582	3.6
286.98459	6.6
288.99896	7.7
290.00528	2.5
291.01404	4.9
298.98245	21.5
299.99146	7.2
300.99896	100.0
302.00198	6.9
303.01352	3.3
305.03287	2.0
314.97803	7.9
315.98520	6.0
316.95651	4.2
316.99371	73.9
317.99612	6.2
463.05249	3.3
465.06332	2.7
607.64618	2.2
722.45605	2.1
734.58771	2.4
735.03668	3.5
781.05585	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	981.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99673	0.3
69.35632	0.3
89.03816	0.9
91.01695	0.3
95.01241	1.3
98.20538	0.6
101.03836	0.5
103.01758	0.6
105.03327	0.7
107.01257	0.7
107.04876	0.4
110.67149	0.3
111.00766	1.5
115.01749	0.7
117.03338	2.4
119.01242	0.8
119.04908	0.3
121.02818	1.0
123.00773	2.2
125.02335	3.8
129.03334	0.7
131.01266	1.1
131.04903	0.5
132.02043	0.8
133.02869	2.9
135.04417	0.5
137.02333	0.5
139.00264	2.0
140.01030	0.3
141.03415	0.3
143.01225	0.8
145.01819	0.4
145.02872	5.9
147.00787	1.4
147.04442	1.7
148.01514	0.5
149.02322	1.5
151.00250	0.7
157.02859	1.4
158.03661	0.4
159.00778	2.0
159.04485	0.7
160.01544	1.1
161.01086	0.4
161.02362	6.9
162.02994	0.8
163.00256	1.7
163.03947	3.0
164.00981	0.6
165.01825	0.3
166.99741	1.0
169.01360	4.4
171.00797	1.5
172.01559	0.9
173.00922	0.4
173.02347	5.9
174.02922	0.5
175.00266	1.2
175.03934	1.8
175.83507	0.3
176.01027	1.2
177.01851	3.8
177.05348	0.3
178.99763	1.2
179.03415	0.6
181.26454	0.3
182.99281	2.4
183.99979	1.0
185.00842	0.4
185.02359	2.8
187.00298	3.8
187.03920	0.5
188.00948	1.0
189.01868	8.3
190.02592	2.6
190.99756	0.9
191.03400	2.9
192.00616	0.3
193.01324	0.8
199.00299	1.5
200.01051	1.2
201.01869	6.0
201.98907	0.3
202.02551	0.5
202.99789	1.3
203.03450	2.4
204.00479	1.0
205.01353	4.3
206.01846	0.4
207.02824	0.8
209.00879	0.3
213.01839	0.7
214.99815	5.2
216.00661	2.3
217.01367	10.1
218.01805	1.3
218.99283	0.5
219.02885	1.1
221.00842	0.6
222.01610	0.4
226.99779	1.2
228.00558	1.1
229.01395	6.2
230.02057	0.5
230.99341	2.6
231.02951	1.8
232.00009	1.3
233.00882	3.5
233.04506	0.4
234.01535	0.4
235.02467	0.3
242.02264	0.3
242.99345	6.6
243.03023	0.4
244.00084	2.7
245.00894	13.4
246.01462	1.7
246.98798	0.4
247.02467	5.5
248.02992	0.4
249.00417	0.6
249.04053	1.9
251.74710	0.3
254.99324	1.1
255.02956	0.4
257.00861	3.8
258.01483	0.9
258.98785	1.8
259.02466	0.4
259.99518	1.9
261.00385	7.1
262.00916	0.8
263.01938	0.9
269.00577	0.3
270.98846	16.1
271.99420	2.3
273.00424	15.9
274.00977	1.7
275.01974	9.0
276.02341	0.6
277.03476	0.8
283.99634	2.1
285.00220	0.5
286.98337	4.6
287.01907	1.0
287.98822	0.8
288.99911	7.5
290.00385	0.8
291.01450	2.8
298.98340	19.4
299.99063	8.3
300.02606	0.6
300.99890	91.7
301.96863	0.2
302.00220	6.4
303.01355	2.1
305.03082	1.0
314.97839	5.9
315.01440	0.6
315.98508	6.1
316.99374	100.0
317.99704	5.9
319.00839	0.6
321.02509	0.9
331.00839	1.5
343.01132	0.4
347.00403	1.4
349.02054	3.0
381.18201	0.3
383.03922	0.3
391.02780	0.4
405.04782	0.4
431.02835	0.4
433.04205	0.9
435.05920	0.5
443.02493	0.5
445.04169	1.2
461.03305	1.3
463.05316	1.4
477.02765	0.4
479.04630	1.6
493.06464	0.7
511.07550	0.8
613.05139	0.6
615.08582	0.4
633.07227	0.6
733.23816	0.3
735.04559	0.6
753.06647	0.3
763.04956	0.6
781.05707	1.2
813.08704	1.0
814.08105	0.5
913.03558	0.4
919.08759	0.3
949.06030	1.5
963.07068	0.5
981.08881	1.0
982.08917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53953	4.0
70.10967	0.5
79.65495	0.5
83.01200	0.5
95.01254	1.1
97.90939	0.5
98.19795	1.0
101.09406	0.5
105.03287	0.6
111.00766	1.1
113.30607	0.5
117.03335	2.9
119.04935	1.0
121.02826	0.9
123.00736	2.2
125.02357	3.0
131.01257	1.0
132.02051	0.7
133.02809	2.3
135.04393	0.6
139.00249	1.6
143.01285	0.7
145.02834	5.7
147.00757	0.8
147.04420	1.7
148.01547	0.6
149.02290	1.4
157.02815	1.3
159.00787	1.7
159.04382	0.8
160.01596	0.7
161.02342	6.8
163.00320	1.2
163.03870	2.3
166.99728	0.9
169.01337	4.3
171.00749	1.7
172.01558	0.6
173.02356	4.8
175.00256	1.2
175.03915	1.7
176.01021	0.6
177.01875	4.2
182.99258	1.2
185.02341	2.3
187.00317	3.3
188.00916	0.7
189.01828	8.7
190.02534	2.3
191.03426	2.4
193.01405	1.1
199.00320	1.4
201.01868	6.3
202.99715	1.1
203.03423	1.9
204.00473	0.8
205.01370	4.6
213.01733	0.9
214.99768	4.6
216.00624	2.4
217.01358	8.1
218.02026	1.1
219.02783	1.5
221.00897	0.7
221.85358	0.6
226.99788	1.4
228.00528	1.0
229.01367	5.6
230.01979	0.7
230.99422	2.8
231.02837	1.3
232.00035	1.5
233.00926	3.6
235.02640	0.5
242.99274	5.2
243.02946	0.5
244.00078	2.2
245.00877	14.4
246.01312	1.1
246.98840	0.8
247.02467	5.3
249.04039	1.4
254.99466	0.6
257.00888	4.0
258.01471	0.7
258.98724	1.7
259.02283	0.5
259.99594	2.4
261.00385	6.9
262.00800	0.7
263.02063	0.6
269.86261	0.6
270.98849	13.4
271.01877	0.5
271.99432	2.4
273.00421	16.3
274.00992	1.8
275.01978	8.1
276.02078	0.6
277.03424	0.6
283.99673	2.5
286.98230	4.0
287.98825	0.5
288.99911	7.3
290.00488	1.1
291.01450	4.5
295.94446	0.5
298.98328	14.7
299.99094	9.7
300.99893	99.4
302.00217	6.8
303.01294	2.0
314.97839	6.8
315.98495	4.7
316.99377	100.0
317.99713	5.3
328.12537	0.6
328.68127	0.5
331.00928	1.0
347.00388	0.8
349.01990	1.4
401.18130	0.7
433.03696	0.8
445.04117	1.1
461.03674	2.1
463.04901	1.0
479.04828	1.6
735.04730	0.8
778.43762	0.7
781.05359	0.9
813.08447	1.1
830.00336	0.6
878.03125	0.6
906.15100	0.6
931.04559	0.9
949.05658	1.2
981.08722	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	975.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01265	0.3
71.84454	0.1
72.99197	0.2
87.00741	1.7
88.00280	1.9
88.98679	100.0
89.02312	3.3
89.99019	0.7
95.26776	0.2
101.02351	0.2
113.02370	0.2
125.02323	0.3
209.11792	2.7
229.56631	0.2
230.29196	0.2
239.72095	0.2
264.57306	0.2
277.21707	1.1
286.61401	0.2
301.00058	0.2
379.12585	0.2
387.09552	0.2
397.13318	1.2
415.14847	0.2
547.11310	0.2
831.36987	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	0.5
71.55547	0.2
71.56066	0.5
73.41854	0.3
81.43918	0.2
87.00761	2.2
88.00279	1.8
88.98679	100.0
89.02323	3.3
89.99028	0.6
101.02338	0.3
119.69991	0.2
125.02316	0.4
152.28166	0.2
209.11737	2.2
277.21686	1.0
397.13425	1.4
415.14606	0.3
430.71478	0.2
441.18887	0.3
510.15543	0.3
600.92529	0.3
719.72205	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01245	2.6
71.58031	2.6
78.18810	1.6
82.13971	1.4
88.98675	1.7
89.02390	1.7
91.21012	1.6
95.02028	1.5
96.95901	3.9
109.02855	2.2
113.02254	2.6
121.02829	2.0
122.06006	1.5
123.00781	2.2
125.02319	6.3
137.02371	2.5
149.02303	2.7
150.03094	1.9
161.02359	2.1
163.00241	1.6
165.01805	3.4
169.01294	6.3
177.01854	3.5
189.01837	5.9
190.02646	13.2
193.01338	10.9
195.04582	1.6
195.06531	4.1
197.05965	1.6
200.01111	2.8
201.01755	2.2
202.02698	4.4
203.03322	2.1
209.11702	2.6
211.04048	1.9
213.05493	1.9
215.03424	3.6
216.04256	2.3
217.01483	4.0
218.02135	15.6
221.00832	18.3
225.05695	2.1
227.03464	4.5
228.00583	8.6
229.01346	4.8
229.04974	2.7
230.02132	2.3
231.03023	2.8
239.03499	2.7
241.05124	3.1
243.02989	7.4
245.00874	5.4
246.01706	3.8
253.01657	1.6
255.02965	2.6
256.00067	2.3
256.03915	1.6
257.00845	8.6
257.04547	1.9
259.02429	4.1
267.03003	5.5
268.03787	1.7
269.04733	2.0
271.02530	4.4
273.00433	9.8
274.01190	100.0
275.01743	5.0
282.01746	2.8
283.02496	6.6
284.03140	4.8
285.03821	4.0
287.02054	7.6
295.02390	3.4
296.03275	4.6
297.03961	2.3
298.98566	2.2
299.01913	20.6
299.99149	5.4
300.02704	14.3
300.99799	7.0
301.03262	3.5
312.02716	3.1
313.00162	3.1
313.03497	23.7
314.04141	8.1
324.99918	4.9
331.01019	3.0
339.01318	2.6
357.02283	3.6
439.13730	2.3
449.12036	1.7
467.13474	26.7
468.14230	2.0
485.14514	8.9
511.12613	3.2
721.23322	3.0
829.91895	1.9
911.13049	1.8
913.35779	2.0
931.36133	48.0
931.55017	2.7
932.37317	7.8
940.87335	1.7
957.34058	34.0
958.33569	5.0
975.34979	71.6
976.35242	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	973.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36716	3.8
69.37124	1.3
71.01262	1.4
89.02306	0.8
96.95898	1.2
121.02836	0.8
125.02303	1.4
133.02895	0.7
137.02307	0.6
145.02902	0.7
149.02356	0.9
150.03162	0.8
161.02303	0.8
163.00273	0.6
165.01837	0.9
165.05498	1.1
169.01343	1.9
173.02428	1.6
183.04492	0.8
185.02469	0.6
189.48260	0.8
190.02666	1.4
193.01352	3.7
195.06493	0.7
199.03958	1.4
200.01080	1.0
201.01843	1.8
209.11737	0.9
210.03134	0.8
211.03880	1.6
213.01942	1.0
214.02563	1.0
215.03270	0.8
216.00537	1.2
217.01288	1.8
218.02077	0.8
221.00890	3.0
226.99835	0.9
227.03433	5.3
228.00615	1.4
228.04224	2.6
229.01369	2.6
238.02605	1.1
239.03429	2.5
240.04204	1.0
241.01447	1.1
241.05023	0.8
242.02139	1.3
243.99985	1.7
245.00854	2.5
246.01724	0.7
255.02983	4.8
256.03702	3.0
257.00931	1.4
258.01611	1.1
266.02246	1.6
267.02988	2.4
269.00937	3.1
269.04349	0.8
270.01620	0.8
270.99042	0.8
271.02521	1.5
271.99573	1.2
272.03577	0.8
273.00528	3.4
274.01282	3.5
275.01877	2.3
282.99039	1.3
283.02469	3.0
284.00015	1.1
284.03287	6.2
285.03922	1.5
294.01819	1.2
295.02551	2.5
296.03101	0.9
297.00665	0.7
297.98029	0.7
298.01105	3.3
298.98444	1.1
299.01932	1.5
299.99127	34.7
300.02411	1.6
300.99884	15.1
302.00085	0.9
311.01956	2.1
312.02771	14.3
312.99966	2.3
313.03418	3.9
314.00473	1.2
314.97876	1.1
315.01266	1.3
321.00348	0.9
322.01224	1.9
323.01749	0.7
326.97745	1.5
327.01138	1.5
328.02197	3.9
338.00659	9.2
339.01401	5.0
340.99435	1.7
342.00189	0.8
343.04648	1.6
353.02960	0.9
355.00916	2.5
356.01611	2.7
357.02307	1.1
391.11963	0.9
419.11020	0.8
437.12418	1.1
465.11984	5.8
481.12387	0.6
483.13077	3.8
497.11078	0.9
509.10889	6.7
510.11160	0.9
527.11957	8.1
528.12292	1.4
583.14996	0.9
719.21954	1.1
745.19812	2.1
811.27008	0.9
929.36066	1.0
973.33466	100.0
974.33917	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	971.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01243	2.2
71.57552	1.5
72.99191	1.1
88.01275	1.0
96.95879	1.1
106.87604	1.1
113.02261	1.6
115.00235	1.4
115.30383	1.2
116.92747	7.3
117.92704	1.3
125.02333	2.6
132.01979	1.3
150.03085	1.8
165.05449	3.1
168.65645	1.4
169.01302	3.8
195.06497	1.7
209.11720	2.0
216.00578	2.3
242.99388	1.3
244.00159	1.9
255.99992	1.2
259.99661	1.9
270.01743	1.7
270.98801	3.8
271.99536	2.5
282.01318	1.2
282.98825	1.4
283.99557	2.7
286.98224	2.7
298.01236	7.7
298.98392	2.9
299.01904	1.7
299.99115	23.6
300.99927	13.9
310.98267	2.5
315.98697	4.7
324.99890	22.1
326.00537	8.0
326.97647	3.4
327.01270	2.1
330.00003	2.0
336.99603	1.3
339.98444	1.4
352.99365	11.1
354.00177	64.6
355.00803	7.2
362.54434	1.5
497.11069	2.2
507.09058	2.5
525.10394	13.0
526.10284	1.5
743.17883	1.7
809.26666	2.1
881.91766	1.2
971.31763	100.0
972.32007	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	971.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
69.05885	0.9
69.64304	6.2
71.43808	0.8
98.19820	2.0
98.82327	0.9
109.02827	1.6
111.00761	1.8
117.03347	1.7
119.01197	1.0
119.04879	1.3
123.00780	2.3
124.01540	2.0
125.02357	4.6
133.02826	1.3
135.04341	1.2
137.02313	1.8
141.71681	1.0
145.02875	2.8
147.04433	2.6
149.02347	2.6
149.46304	0.9
151.03934	1.8
157.02858	1.5
159.04399	3.2
161.02289	1.8
161.05974	2.3
162.03214	1.0
163.00252	1.1
163.03914	4.2
165.01805	1.6
166.99792	0.9
169.01331	5.1
173.02354	2.6
175.03943	5.0
177.01767	2.1
177.05502	2.9
181.01314	1.0
185.02322	4.4
187.03906	3.2
189.01886	3.0
190.02583	2.6
190.99846	1.2
191.03421	4.6
193.01352	4.7
198.06020	0.9
201.01865	4.5
203.03419	6.8
205.01329	1.2
205.05025	6.5
208.00116	1.1
217.01306	2.8
219.02942	2.4
221.04453	2.3
229.01427	7.2
230.01927	1.5
231.02919	5.8
237.00305	2.2
245.00887	6.6
247.02417	6.3
249.04105	5.6
257.00891	5.9
258.01468	1.6
270.98755	1.1
273.00458	5.6
274.01035	2.3
275.01971	21.1
275.04742	0.7
276.02341	2.0
277.03519	1.0
283.99469	2.9
291.01263	1.4
293.02945	6.0
298.98358	1.6
299.99295	5.6
300.99893	100.0
302.00259	9.4
303.00470	2.3
316.99399	1.8
319.00873	2.3
337.01987	8.3
455.06955	1.1
463.05011	3.2
633.07635	7.4
935.07904	4.9
953.09210	5.5
954.09235	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.101
Annotation	Unknow
Peak:m/z	Relative Intensity
86.63403	0.7
90.06333	0.7
93.03313	1.2
95.01253	1.1
95.54312	0.7
99.00779	0.9
101.03867	0.9
105.03292	1.3
107.04908	0.8
109.02821	1.3
111.00743	2.6
117.03335	1.6
119.04864	1.9
121.02878	1.7
121.06461	0.9
123.00786	1.2
124.01566	1.2
125.02359	6.2
131.04939	1.5
133.02856	1.1
133.06499	3.3
135.04396	2.4
137.02319	3.4
138.03133	1.0
143.04900	0.9
145.02837	4.7
146.03499	0.7
147.04391	2.9
149.02354	4.5
149.05995	1.7
151.03931	3.1
159.04430	4.4
161.02345	2.3
161.06012	5.8
162.03108	1.6
163.00259	1.7
163.03920	8.9
164.01050	1.1
165.01834	2.6
169.01338	5.0
173.02399	4.2
175.03888	5.2
177.01842	2.4
177.05453	3.8
179.03407	1.1
179.06992	2.0
185.02383	3.7
187.03911	5.7
189.01915	1.8
190.02647	5.2
190.99762	1.0
191.03436	4.2
193.01334	8.6
193.05019	0.9
201.01897	5.8
203.03435	8.1
205.01318	1.3
205.05002	18.2
206.05438	1.1
213.01953	1.3
217.01372	3.0
218.01933	0.8
219.02946	2.9
221.04459	3.1
229.01384	6.2
229.96265	0.9
230.01959	1.3
231.02985	4.9
233.00972	1.0
237.00389	2.8
245.00879	5.9
247.02449	5.1
248.03081	1.1
249.04042	14.5
257.00830	5.2
258.01483	1.4
261.00400	1.2
270.98865	1.4
273.00351	4.3
274.01074	2.9
275.02002	22.4
276.02267	1.1
283.99536	2.5
293.03027	11.9
294.03467	0.9
298.98340	2.2
299.99042	6.1
300.99896	100.0
302.00259	9.7
303.00446	2.2
316.99466	2.2
319.00827	2.9
330.27426	0.8
337.02008	39.9
338.02301	2.8
445.04184	1.3
463.05182	5.6
481.06519	1.4
499.07458	1.3
633.07349	20.8
634.07874	2.5
635.08325	0.9
801.08038	2.3
935.07916	4.5
953.08844	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	971.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05405	1.0
93.03351	1.7
95.01273	1.0
98.20408	0.8
99.00784	0.8
100.64183	0.7
105.03339	1.7
105.07011	1.0
107.01283	0.8
107.04919	2.5
111.00815	1.0
116.48573	0.6
117.03367	1.9
119.04922	2.5
121.02866	2.1
121.06531	2.9
123.00789	2.1
123.04446	1.4
125.02357	4.1
131.04948	1.7
133.02846	1.4
133.06502	7.7
135.04414	6.7
137.02322	2.5
143.04933	1.5
145.02843	5.6
146.03535	1.2
147.04427	1.8
149.02362	4.7
149.06010	3.4
151.03920	8.5
157.02809	1.0
158.03613	0.6
159.04419	7.5
160.05127	1.8
161.02359	2.5
161.05995	14.2
162.03143	4.3
163.03926	20.7
164.01085	0.7
165.01866	2.8
166.99783	0.7
169.01332	2.5
172.12985	0.6
173.02345	2.0
175.03943	4.1
177.01846	3.1
177.05490	6.9
185.02435	3.2
187.03922	11.1
189.01811	3.0
190.02647	6.1
191.03397	2.8
192.00594	0.7
192.51744	0.6
193.01355	23.2
194.01740	0.9
201.01863	2.5
203.03474	7.5
205.05006	26.1
206.05339	1.0
207.03157	0.6
213.01773	0.6
217.01363	2.5
218.02133	0.7
219.02954	1.3
221.04536	2.1
226.99988	0.6
228.00587	0.8
229.01381	5.6
230.02029	0.6
231.02988	4.8
233.00885	1.4
235.02580	0.8
237.00336	1.8
244.00233	0.7
245.00917	6.3
246.01448	0.8
247.02440	4.9
248.02879	0.8
249.04037	20.4
250.04433	1.2
257.00931	5.2
258.01605	2.0
265.96521	0.6
270.98730	0.8
273.00372	8.2
274.01184	3.2
275.01981	20.3
276.02231	1.2
283.99747	2.2
291.01425	1.6
293.02960	4.1
295.87744	0.6
298.98380	1.5
299.99109	3.3
300.99899	94.2
302.00214	6.7
303.00479	1.2
319.00784	1.1
329.02945	0.8
337.02017	81.0
338.02289	5.1
341.89133	0.7
437.07736	0.8
463.05057	3.5
513.42957	0.6
562.66492	0.7
615.05688	1.3
633.07336	100.0
634.07568	11.1
635.07837	0.7
641.04236	0.7
935.07642	2.1
953.09637	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	971.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01247	0.9
85.02792	0.8
91.05405	1.0
93.03315	2.4
99.00744	1.3
103.05466	0.8
105.03328	2.5
105.06969	1.0
107.04909	2.9
109.02834	1.5
111.00755	1.4
115.05457	1.2
117.03363	1.7
117.07006	1.0
119.04942	3.9
120.98371	0.8
121.02824	3.4
121.06523	4.5
123.00763	2.7
123.04395	2.9
125.02359	5.3
131.04930	2.0
133.02837	1.0
133.06500	8.8
135.04440	8.0
137.02316	3.4
138.03227	0.7
139.03914	0.8
143.04874	1.3
145.02856	7.1
146.03638	2.4
147.04436	3.7
149.02356	5.4
149.05975	4.7
151.03911	9.4
159.04425	8.4
160.05176	2.1
161.02332	2.3
161.05994	14.1
162.03123	5.3
163.03922	23.3
164.00989	1.3
164.04402	1.1
165.01860	3.8
167.03372	0.9
169.01312	3.9
173.02348	3.3
175.03903	7.0
176.04295	1.4
177.01881	2.5
177.05519	7.5
185.02350	2.8
187.03940	10.9
188.04457	0.8
189.01895	2.3
190.02641	7.8
191.03400	3.5
193.01363	25.1
194.01767	1.2
201.01883	4.0
203.03462	9.7
204.03941	2.0
205.01460	1.2
205.05003	25.7
213.01840	1.0
217.01372	2.6
219.02974	2.0
221.04431	2.2
229.01387	6.2
231.03056	4.5
233.00887	1.9
237.00374	1.0
245.00931	8.6
245.76112	0.8
247.02496	5.2
248.02885	1.9
249.04028	19.6
250.04356	1.6
255.02861	0.9
257.00882	6.7
258.01624	1.8
273.00430	4.9
273.03079	0.8
274.01093	2.2
275.02002	17.5
276.02362	1.3
283.99652	2.7
291.01328	2.1
293.03116	6.4
299.99124	3.5
300.99902	90.9
302.00226	8.4
303.00562	1.8
304.05829	0.9
337.02011	77.0
338.02344	5.5
403.76749	0.8
463.05316	3.3
560.49792	0.8
633.07343	100.0
634.07703	12.9
635.08362	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	969.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
67.78894	1.4
69.25720	12.7
71.01234	2.1
80.50949	1.3
85.31849	1.1
88.98649	1.5
96.95873	2.8
101.02300	2.2
106.74823	1.3
116.92735	17.1
121.02760	1.4
125.02311	5.4
134.05998	1.6
144.91183	1.2
165.01833	1.3
165.05435	2.0
169.01315	5.4
173.69096	1.3
209.11745	4.0
214.99854	1.9
245.84833	1.4
253.05087	1.3
270.98743	4.3
298.01181	1.8
298.98230	2.5
299.99130	16.6
300.99872	6.4
309.00336	3.6
323.99039	3.6
324.99921	2.7
325.20242	2.9
326.97812	5.3
327.01413	1.8
335.01929	2.2
336.99725	2.1
338.00937	1.5
351.98499	4.0
352.99301	5.5
353.99988	4.2
366.00259	6.0
367.00699	1.6
379.00763	3.1
380.01526	3.5
393.02649	2.6
397.13129	2.8
469.85461	1.4
479.09445	1.6
495.09183	4.6
505.07709	1.8
523.08929	20.1
524.08832	2.4
579.11230	3.3
701.38715	1.4
702.54590	1.5
741.15692	2.1
947.30170	1.8
969.30145	100.0
970.30414	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	969.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	22.6
71.19888	1.9
71.36893	3.6
72.99198	3.2
73.02832	3.4
75.00791	2.0
78.95789	2.1
83.01279	3.5
83.04920	3.8
85.02834	3.8
87.00753	5.1
89.02310	23.6
96.95885	5.0
97.02830	6.0
97.06468	2.2
99.00745	2.7
101.02325	15.5
109.06476	6.7
111.00804	3.2
111.08111	2.2
113.02351	10.5
115.00250	2.1
119.03396	5.7
123.08109	2.4
125.02364	9.8
143.03375	5.0
161.04480	2.3
163.11214	7.4
165.12778	4.3
169.01346	5.5
171.10225	3.2
179.05527	8.5
181.12302	3.0
185.11720	3.6
191.14485	3.2
197.11699	5.9
207.10211	9.4
209.11772	100.0
209.13795	4.8
210.12247	4.9
211.13347	4.0
221.06599	2.9
225.11282	10.5
227.12813	24.4
235.08234	6.1
245.19072	5.6
263.20187	2.9
289.18109	28.9
291.19693	4.8
300.99847	4.8
305.45328	2.0
307.19180	31.4
309.20706	18.4
310.21008	2.6
393.38177	2.6
397.13467	35.6
415.14545	18.0
623.25189	2.5
883.36682	3.7
915.46399	5.0
969.44556	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	969.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
70.43510	4.5
80.77544	1.0
105.03319	2.9
107.05005	1.0
117.60949	1.1
119.04904	2.9
123.00753	1.6
125.02329	5.0
131.04930	1.3
139.91440	1.2
145.02853	3.9
147.04420	5.4
149.02377	1.6
149.05972	3.0
159.04428	2.4
161.02438	1.8
163.00330	1.3
163.03989	2.1
169.01385	5.4
173.02359	4.3
175.03926	17.0
176.04340	1.0
177.01808	2.5
177.05502	4.3
185.02377	3.4
189.01889	2.8
190.60716	1.1
191.03403	8.1
201.01915	5.3
201.03583	1.0
203.03450	22.0
205.01408	1.6
217.01411	2.6
219.02953	3.8
221.04494	3.8
226.99738	1.6
229.01373	6.3
231.02937	2.1
233.00742	1.4
245.00856	5.7
247.02460	38.9
248.02780	1.2
249.03920	2.6
251.03413	1.3
257.00842	5.0
258.01587	1.5
265.03519	5.4
270.98926	2.8
271.99292	1.3
273.00348	6.3
274.01047	2.4
275.01953	11.4
283.99634	2.6
291.01563	7.2
298.98401	5.1
299.99078	7.2
300.99884	100.0
302.00336	7.5
303.00446	2.9
315.98438	1.7
316.99286	10.0
317.99786	3.5
335.00510	2.2
409.07605	2.8
416.45267	1.3
428.90231	1.2
463.05228	3.4
527.25922	1.2
633.07135	4.4
711.08472	2.9
755.07544	1.4
925.10150	1.6
951.05884	1.3
969.08838	2.2
979.61511	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
77.00278	1.5
88.48432	2.0
103.23326	1.6
105.03377	3.3
119.04928	4.2
123.00742	2.9
125.02330	4.9
131.04878	1.5
133.02858	1.7
145.02872	4.3
147.04419	6.7
157.02846	1.9
159.04425	4.3
161.02327	3.5
163.00244	1.6
163.03876	1.7
165.01891	1.5
169.01357	6.0
173.02364	4.9
175.03912	24.3
177.01886	1.8
177.05473	2.3
185.02383	2.0
189.01826	3.0
190.02263	2.1
191.03421	5.9
191.52304	1.5
201.01888	5.4
203.03453	27.8
205.01460	2.2
214.99870	1.8
217.01392	6.2
219.02916	5.0
221.04539	3.7
226.99725	2.1
229.01387	9.1
231.03012	2.3
242.99350	1.8
245.00931	6.3
246.01283	2.0
247.02487	38.6
248.02892	3.5
249.04202	1.8
257.00873	4.2
270.98883	4.8
271.99402	1.9
273.00488	9.9
274.01126	4.2
275.01968	12.6
283.99683	2.9
286.98547	1.9
291.01431	5.2
298.98282	6.8
299.99045	6.5
300.99893	100.0
302.00311	8.3
303.00769	2.4
316.99393	12.8
317.99725	4.2
335.00418	4.1
335.76535	1.6
510.46295	1.7
510.76440	1.8
613.04645	2.7
633.07300	30.4
634.07654	2.4
711.07288	2.1
887.00635	1.7
930.01874	1.7
933.06702	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	969.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
76.15889	0.4
85.02823	0.4
87.00756	1.0
92.74887	0.3
93.03323	0.5
95.01262	0.9
98.20554	0.8
104.53885	0.3
105.03339	1.2
106.72710	0.3
107.01250	0.4
109.02850	0.5
111.00777	0.7
117.03360	1.2
117.19009	0.4
119.04908	1.8
121.02895	0.7
121.06462	0.4
123.00764	1.6
123.04406	0.4
125.02331	3.0
129.03365	0.7
131.04926	1.4
133.02815	1.6
135.04387	0.6
137.02322	0.8
138.03104	0.4
139.00337	0.4
143.87387	0.4
145.02858	3.9
146.03247	0.5
147.00781	0.6
147.04442	4.8
149.02335	1.3
149.05983	1.5
157.02899	1.2
158.03636	0.9
159.04443	3.0
160.01512	0.3
160.04729	0.4
161.02359	2.7
162.03123	0.8
163.00232	0.8
163.03973	2.1
165.01794	0.7
165.05431	0.4
166.99768	0.5
169.01338	5.7
171.00717	0.5
173.02336	4.0
174.03021	1.3
175.00464	0.4
175.03932	12.5
176.01059	0.5
176.04320	0.7
177.01863	3.6
177.05466	3.1
179.03461	0.4
185.02335	3.4
189.01849	3.8
190.02611	1.6
190.99866	0.8
191.03442	7.4
192.00587	0.7
193.01357	1.5
193.04945	0.6
199.00348	0.5
200.01201	0.4
201.01901	5.0
203.03439	13.1
204.00610	0.4
204.03860	0.7
205.01349	1.1
207.02875	1.0
213.01862	0.9
214.42856	0.4
214.99730	0.4
216.00525	0.8
217.01366	4.1
218.01854	0.9
219.02960	3.5
220.03444	0.5
221.00856	1.2
221.04503	3.5
226.99776	1.0
229.01381	8.2
229.60719	0.4
230.01894	1.1
231.02966	1.8
232.00043	1.0
235.02367	1.7
242.99336	1.2
243.99983	0.6
245.00931	8.1
246.01224	1.1
247.02454	23.2
248.02811	1.7
249.04111	2.7
250.04448	0.5
257.00900	4.7
258.01422	1.5
261.00296	1.3
263.01971	0.4
265.03516	1.8
270.98920	1.9
271.99283	0.7
273.00424	9.5
274.01007	2.2
275.01965	11.7
276.02264	1.6
277.02588	0.7
283.99548	2.8
285.00110	0.8
286.98480	0.4
287.01663	0.5
288.99698	0.8
291.01453	6.1
292.01654	0.5
298.98413	3.3
299.99023	5.7
300.99890	100.0
302.00241	13.9
302.03702	0.7
303.00424	5.9
304.00604	1.1
309.02557	0.4
314.00525	0.5
314.97906	0.5
315.01431	0.8
316.99362	6.9
317.02939	0.8
317.99658	1.3
319.00266	0.8
335.00455	2.9
343.00955	0.4
353.01340	0.6
379.06525	0.5
405.04715	0.6
409.07635	1.0
435.05630	1.0
445.04218	0.9
453.06668	1.3
463.05072	3.1
464.05777	1.0
497.06137	0.4
615.06354	0.9
633.07343	4.6
634.07379	0.5
681.06836	0.7
725.06830	0.5
737.05469	0.4
755.06848	0.7
799.06653	0.9
837.07495	0.6
851.09283	1.3
877.06958	0.7
881.09375	0.4
895.08630	0.5
907.08575	0.6
925.09216	0.9
936.07782	0.7
937.08954	2.1
951.08002	0.5
969.08618	1.8
970.09497	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02750	0.4
95.01270	1.7
103.05427	0.5
105.03366	0.7
107.01264	0.5
111.00771	0.8
113.02412	0.4
117.03342	1.0
119.04919	2.4
121.02834	0.5
121.06495	0.5
123.00765	2.0
124.01602	0.5
125.02351	4.5
126.02740	0.5
129.03322	0.5
131.04938	1.5
133.02834	1.0
133.96194	0.4
135.04443	1.5
137.02400	0.9
139.00269	1.0
145.02844	3.1
147.00772	0.5
147.04424	4.6
149.02330	1.5
149.05989	2.8
154.99770	0.4
157.02849	1.1
158.03600	0.6
159.04427	3.1
160.01643	0.5
161.01140	0.6
161.02307	3.2
162.03102	0.7
163.00281	0.6
163.03946	2.1
165.01846	0.5
166.99792	0.9
169.01328	5.3
170.01768	0.6
171.00824	0.7
173.02370	3.8
174.02843	0.8
175.03931	12.4
176.04535	1.3
177.01900	2.5
177.05490	8.0
179.03394	0.4
185.02367	3.1
186.02971	0.5
187.03975	0.7
189.01904	3.8
190.02533	1.3
190.99763	0.6
191.03419	5.2
192.00511	0.5
192.03836	0.7
193.01291	1.2
193.05025	1.6
193.39406	0.4
199.00352	0.5
200.01027	0.7
201.01881	4.1
202.02425	1.0
203.03452	21.1
204.03761	1.0
205.01418	1.9
205.05035	0.8
213.01840	1.3
214.99826	0.8
216.00546	1.0
217.01422	4.3
218.01845	0.8
219.03029	2.7
220.03667	0.7
221.00970	0.6
221.04536	4.3
226.99814	0.6
227.03427	0.5
228.00594	0.9
229.01379	7.9
230.01868	1.5
230.67593	0.7
231.03032	4.0
233.00876	0.9
235.02461	1.4
242.99326	1.8
243.99983	0.8
245.00876	7.8
246.01266	1.7
247.02472	24.0
248.02927	2.0
249.04037	4.1
250.04248	0.5
255.03186	0.5
257.00906	6.0
258.01508	2.3
259.02179	0.8
259.99661	0.6
261.00336	1.2
263.01852	0.7
265.03558	7.5
266.04071	0.5
270.98904	2.7
271.01822	0.5
271.04745	0.5
271.99396	1.2
273.00433	8.0
274.01016	3.2
275.01993	19.9
276.02353	4.0
277.02795	0.7
283.99631	2.6
285.00223	0.6
288.99878	1.0
290.00519	0.5
291.01483	7.9
293.03052	0.9
298.98331	4.5
299.99060	6.4
300.99899	100.0
302.00238	18.4
302.03809	0.8
303.00418	7.0
304.00677	1.3
305.00577	0.6
309.02542	1.3
313.00015	0.5
314.00543	0.8
314.97882	0.9
315.01535	1.1
315.98431	0.9
316.99377	17.9
317.99716	3.0
319.00476	1.4
329.03061	0.5
337.02112	0.7
343.00876	1.6
385.01923	1.1
401.05084	0.5
409.07700	6.0
410.07672	0.5
419.06113	1.2
435.05399	0.4
437.07291	0.9
445.04056	3.0
453.06680	1.0
463.05206	6.5
464.04941	0.8
465.05090	0.6
475.14401	0.9
615.06702	0.5
633.07306	4.0
667.09332	0.5
711.08539	6.8
712.08527	0.6
729.09735	0.9
755.07465	3.4
773.08502	1.2
851.09741	1.3
881.10260	1.4
895.09113	0.6
925.10004	1.9
936.08502	0.7
937.08899	2.3
969.10150	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
68.87250	0.5
70.59492	2.2
76.55891	0.6
80.12889	0.5
92.23589	0.6
95.01289	1.4
102.63505	0.5
105.03363	0.8
111.00843	0.9
117.03348	1.3
119.04925	1.3
121.02805	0.6
123.00770	1.7
125.02317	4.0
129.03329	0.8
133.02853	2.0
135.04364	0.7
137.02333	0.9
139.00250	1.2
143.01254	0.7
145.02840	4.2
147.04436	1.8
147.14384	0.6
149.02277	1.0
157.02881	0.9
159.04378	1.6
161.02345	3.1
163.00302	1.3
163.03941	2.9
165.01782	0.8
166.99786	1.2
169.01346	5.7
171.00775	1.2
173.02388	5.2
174.02895	0.7
175.03914	3.1
177.01831	2.2
182.99281	1.1
185.00919	0.7
185.02370	2.8
187.00259	1.4
187.03926	0.7
189.01883	4.7
190.02585	1.2
190.99889	0.6
191.03484	3.0
199.00311	1.1
201.01889	5.1
202.02422	0.8
202.99852	1.0
203.03487	5.6
204.00302	0.7
205.01273	1.5
209.00783	1.0
213.01955	0.8
214.99812	2.3
216.00441	1.2
217.01419	6.0
218.01799	1.2
219.02876	2.6
226.99785	1.4
229.01364	6.4
230.01753	1.5
231.02966	3.2
232.00114	0.7
233.00789	1.7
242.99376	3.2
245.00888	10.7
246.01204	1.8
246.98831	1.0
247.02460	11.7
248.02956	1.2
249.03854	3.1
257.00916	5.1
258.01511	1.7
258.98843	1.0
259.99490	0.9
261.00351	3.1
263.01840	1.0
265.03479	0.8
270.98865	7.3
271.99298	2.0
273.00397	14.4
274.00894	2.5
275.01978	20.6
276.02274	1.6
277.02417	0.8
283.99625	1.8
284.99783	0.8
286.98386	1.4
288.99841	2.6
290.00375	1.0
291.01419	5.3
292.02032	0.9
293.02936	0.8
298.98346	13.0
299.99011	8.8
300.99884	100.0
302.00241	14.0
302.03403	0.6
303.00479	3.9
314.97992	0.7
315.98456	2.3
316.99377	59.6
317.99670	7.1
319.00137	3.1
335.76611	0.7
343.00705	1.2
433.04141	0.8
435.05511	0.9
445.04324	1.0
453.06256	0.7
463.05096	5.1
481.06281	1.4
605.06915	0.8
613.04816	1.8
633.07422	2.6
634.07770	0.9
737.05548	0.7
747.05170	0.8
765.06207	0.9
783.06476	1.9
801.06012	0.7
907.08368	1.2
915.03906	1.2
933.05847	1.7
937.08978	2.0
951.07532	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	969.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69296	6.3
70.68037	0.9
95.01270	2.1
101.18075	1.0
105.03327	1.6
111.00771	1.3
117.03349	1.6
119.04912	1.4
123.00735	2.3
125.02336	6.1
131.04918	1.9
133.02818	2.0
135.04370	1.5
135.82686	1.0
137.02304	1.7
139.00212	1.4
145.02835	5.1
147.00781	1.0
147.04419	4.1
149.02370	3.0
157.02832	1.0
159.04468	2.0
160.04779	0.8
161.02347	3.9
163.00243	1.8
163.03935	3.2
164.00870	1.0
165.01859	2.2
166.23555	0.9
166.99780	2.1
169.01366	6.8
170.01593	1.3
171.00700	1.5
173.02431	4.7
175.03993	5.5
176.04308	1.2
177.01817	3.5
177.05472	2.6
184.00026	1.2
185.02342	2.2
186.02769	1.4
187.00258	2.0
187.03845	1.3
189.01863	4.8
190.02486	2.1
190.99841	1.0
191.03372	4.2
193.01337	2.7
193.04988	1.0
199.00188	1.0
200.01030	1.2
201.01921	5.3
202.02216	1.4
203.03424	10.2
205.01363	4.8
205.04967	7.4
207.02924	1.2
209.00841	1.3
214.99872	3.1
216.00475	1.5
217.01341	6.5
219.02989	2.3
220.03308	1.0
221.04561	3.8
226.99847	1.6
229.01353	8.1
230.01805	2.5
230.99339	1.4
231.03014	6.0
232.03099	1.1
233.00862	1.4
237.00304	1.5
242.99249	2.3
245.00835	8.8
246.01176	3.7
247.02414	7.9
248.02881	1.4
249.03946	3.3
257.00934	6.7
258.01282	1.1
258.98685	1.0
259.01669	1.2
261.00397	4.2
265.03497	1.2
270.98807	6.6
271.99255	1.9
273.00397	9.8
274.00818	3.4
275.02014	20.3
276.02328	5.8
277.02448	1.4
283.99557	2.4
289.00070	1.8
291.01468	4.6
293.02866	5.1
298.11957	1.0
298.98309	9.8
299.99094	9.3
300.99878	100.0
302.00217	28.6
303.00391	12.0
304.00656	1.5
314.97876	1.3
315.01453	1.1
315.98566	4.4
316.99365	74.7
317.99796	5.5
319.00909	5.3
337.01962	9.6
343.01126	1.1
353.01526	3.4
401.18137	1.6
419.06354	1.0
426.36356	1.0
426.61813	1.2
463.05087	3.8
464.05344	1.7
481.06238	2.3
499.07465	2.0
566.47223	0.9
595.55182	1.1
615.06592	1.4
633.07434	3.2
783.06744	1.7
801.07062	1.6
936.08398	1.9
937.08936	7.4
969.07397	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	967.5639
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	0.4
70.00202	0.6
71.01254	7.3
72.99172	0.5
73.02846	0.9
81.03340	0.4
82.95285	0.7
83.01270	0.6
85.02824	1.3
85.06431	0.1
87.00750	1.8
87.75328	0.1
88.98684	0.2
89.02318	6.4
95.01273	0.4
96.95886	0.8
97.02821	1.3
99.00744	0.5
101.02330	4.9
109.06533	0.2
111.08065	0.2
113.02332	3.3
119.03391	1.5
124.01519	0.2
125.02319	2.0
131.03380	0.3
139.03911	0.2
141.01799	0.4
143.03424	0.8
149.04517	0.2
161.04446	1.4
167.10727	0.3
177.12779	0.2
179.05524	2.0
179.14337	0.8
181.12210	0.2
195.13846	8.3
196.14348	0.6
197.15291	0.2
201.94679	0.2
205.12283	0.6
205.15889	0.5
211.13368	0.5
221.06639	0.6
223.13364	5.8
224.13835	0.3
225.14850	0.4
228.13620	0.7
231.21223	0.3
235.08192	2.1
239.16989	0.2
253.09210	0.6
256.13202	1.4
265.21854	0.4
275.20157	5.1
276.20490	0.3
277.21811	0.4
287.07739	0.3
291.19614	0.3
293.21225	100.0
294.21530	6.2
305.08740	0.6
309.20728	0.3
317.21265	0.4
323.09836	0.4
335.22223	0.3
379.12598	0.7
397.13486	14.9
398.13879	0.6
415.14581	9.4
416.14856	0.5
569.42371	1.3
654.27667	0.3
673.34479	0.5
691.35309	1.9
863.32135	0.2
877.26770	0.2
898.74390	0.2
967.45898	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5635
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	1.7
71.01257	21.5
71.34190	1.2
72.99172	2.3
73.02818	3.4
75.00762	0.6
78.90110	0.7
80.16890	0.6
81.03332	1.5
83.01260	1.7
83.04883	0.7
85.02831	5.7
85.48699	0.5
87.00759	5.3
89.02319	18.6
95.01250	1.7
97.02828	2.8
99.00752	1.1
101.02328	16.9
109.06477	0.9
111.00755	1.2
111.08047	9.8
113.02332	8.7
119.03393	5.4
125.02322	7.4
127.07555	1.3
139.03873	0.8
141.01817	0.7
143.03423	3.8
151.11157	1.3
153.09172	0.6
153.12753	0.7
161.04489	4.2
169.12285	6.1
170.12801	0.6
179.05554	6.5
181.12292	1.0
193.12265	0.6
197.11774	54.1
198.12109	1.6
199.13326	2.1
211.13344	7.2
221.06622	2.7
225.14928	0.7
227.13060	0.8
235.08186	7.0
251.16426	0.7
253.09203	2.0
263.07648	1.3
263.20172	4.5
264.99792	0.6
265.18140	0.7
277.21729	50.7
278.22061	2.6
287.07724	2.0
289.18036	1.0
291.19681	21.0
292.20242	1.1
305.08795	2.4
307.18936	0.8
309.20712	100.0
310.21078	5.6
323.09872	1.3
331.23608	0.6
333.20987	0.8
352.38428	0.6
379.12387	3.8
397.13516	43.9
398.14001	2.1
415.14563	18.6
675.36035	0.9
689.34283	2.1
707.34973	1.4
875.49225	0.7
984.76886	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.564
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03334	2.4
71.01258	23.6
72.99190	3.8
73.02834	4.4
83.01279	1.8
83.24783	1.2
85.02842	4.2
86.13282	1.2
87.00750	6.4
88.98689	8.4
89.02316	20.3
92.07970	1.4
92.78886	1.0
95.01261	2.1
97.02837	3.6
99.00793	1.5
99.77393	1.1
101.02322	15.9
102.27916	1.1
105.01825	5.2
111.08051	12.8
113.02332	12.4
119.03399	5.1
125.02319	9.8
127.07479	1.4
143.03400	2.9
153.12770	1.3
161.04514	3.2
169.12250	4.7
171.10225	3.4
179.05547	6.6
181.93622	1.2
197.11772	59.3
198.12029	2.6
199.13364	2.5
209.11859	1.2
211.13438	9.1
221.06596	3.5
223.17075	1.3
225.14810	1.7
227.12820	2.2
235.08197	7.8
249.14873	2.9
253.09282	1.6
263.20148	2.2
265.18057	1.4
277.21722	58.2
278.22076	3.1
287.07648	1.8
291.19693	24.5
305.08768	2.3
309.20715	100.0
310.21027	3.9
334.83130	1.6
356.89322	1.3
379.12506	3.6
397.13544	45.6
398.13782	2.6
415.14587	20.7
707.35431	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	967.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01261	3.6
76.68124	1.0
83.01263	3.0
85.02831	2.4
89.02325	1.5
93.03355	1.7
95.01277	2.1
101.02332	1.9
107.01257	13.4
109.02847	2.5
111.00761	2.9
121.02852	7.1
122.94582	1.3
123.00762	14.2
123.04250	1.1
124.01535	2.6
125.01429	2.2
125.02341	33.5
127.00295	1.2
134.06024	2.7
136.98709	2.6
137.02327	1.4
137.09639	1.4
139.00253	4.5
140.01067	4.6
151.00273	35.5
152.00645	1.4
161.02347	1.7
163.00256	3.4
164.00999	1.1
165.01810	1.6
167.03400	1.8
168.00581	12.4
169.01343	46.1
169.02789	2.4
178.99808	15.3
189.01814	1.2
190.02628	1.1
211.02411	51.4
212.02728	1.2
213.01738	1.4
217.01311	1.5
225.57506	1.2
227.03458	2.7
241.03487	1.6
243.02951	3.7
247.02589	1.2
255.02963	9.5
269.00385	1.1
271.02383	10.4
271.04712	79.6
272.02399	1.5
272.05136	1.9
273.04153	1.8
275.01920	1.4
283.02228	1.5
298.98404	2.3
299.01694	1.3
299.99417	0.8
300.02728	33.7
300.99939	8.6
301.03482	100.0
302.00226	1.8
302.03809	6.1
313.64828	1.1
331.06689	31.3
332.07037	2.4
347.00409	2.3
401.08392	1.4
445.07748	62.7
446.08035	4.6
483.18707	84.6
484.18802	3.8
521.20276	47.2
522.20380	5.1
540.60059	1.2
571.08551	1.4
787.31189	1.2
805.33990	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	967.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
67.45085	0.9
68.44906	0.8
71.01258	17.6
72.20525	0.8
72.99171	1.6
73.02814	1.2
83.01266	2.3
85.02817	5.3
85.36275	0.9
87.00761	1.4
89.02319	14.3
95.01287	2.3
101.02325	9.4
106.06493	5.6
107.01214	1.1
107.03657	1.5
113.02337	5.2
119.03393	4.8
120.08085	6.9
121.76648	0.9
122.06007	19.0
123.00772	1.2
125.02351	3.1
132.04465	1.6
134.06015	29.5
134.07007	1.5
135.06354	0.9
136.07619	1.0
144.09972	0.8
150.05534	1.8
151.03998	0.8
152.07047	5.8
158.02388	1.8
162.05545	1.0
166.99969	0.9
169.01366	3.8
179.03549	1.1
190.05064	4.5
211.08788	1.3
221.10779	4.2
223.08754	3.5
224.09341	1.9
225.10306	1.9
235.08780	1.4
236.09489	2.4
237.10382	4.1
238.11072	2.3
239.11844	5.2
241.13422	1.9
249.06738	1.3
249.10265	4.4
251.08264	3.0
251.11784	5.0
253.13379	1.3
261.10394	1.8
262.07416	1.0
263.08261	5.5
263.11707	1.8
264.09058	8.1
265.09796	8.9
269.13083	1.4
271.10809	1.4
273.00223	1.1
276.08987	2.4
277.09885	7.0
278.10565	2.3
279.11374	24.0
280.11926	3.5
281.12958	2.7
283.10901	1.3
290.10538	1.0
291.11292	6.2
292.12079	3.3
293.12888	1.7
299.99063	1.5
300.99933	3.5
305.09332	4.4
307.10806	1.3
314.12546	3.2
323.10397	3.3
324.11212	2.6
337.11935	3.6
342.16052	3.4
355.13330	1.3
360.17184	1.4
370.15680	2.0
371.16467	1.0
372.17227	1.2
384.17249	2.4
386.14694	2.0
386.18961	2.4
399.19409	1.5
400.16245	1.5
402.18402	2.0
412.16766	1.8
426.18219	3.9
430.17749	1.2
443.18192	1.1
444.19086	3.7
452.16019	1.3
461.19702	0.9
462.20370	1.6
471.17700	2.1
472.18878	2.8
473.19147	1.9
490.19577	6.0
518.18951	1.1
529.42291	0.9
546.26715	0.9
606.24347	2.1
610.24390	1.7
623.24860	1.2
632.22406	3.4
633.23364	1.9
650.23413	5.3
651.23895	6.4
664.25000	7.5
682.26288	10.5
683.26453	2.6
724.27277	1.8
729.31085	1.7
745.30988	1.4
754.31653	1.0
755.29144	12.5
756.29456	1.8
773.30420	97.4
774.30774	14.5
787.32220	10.9
788.32251	1.9
797.30603	1.2
805.33008	100.0
806.33514	17.7
815.30969	1.5
827.42389	1.1
847.34009	7.8
848.32086	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	967.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01781	1.8
71.01257	3.9
72.58856	1.2
72.99197	1.9
84.01978	1.1
84.93416	0.9
89.02290	2.1
92.99683	1.2
93.35201	1.3
95.01254	7.2
97.02818	1.6
106.08740	1.1
107.01264	7.1
111.00761	3.0
117.03328	4.5
119.04953	2.3
121.02863	1.4
123.00753	15.8
124.01552	1.1
125.02341	39.4
129.03329	2.2
132.04416	1.6
133.02826	5.9
135.04440	1.8
137.02316	2.3
139.00223	3.4
140.01064	2.2
145.02855	15.4
146.90440	1.3
147.00804	1.3
147.04375	4.2
149.02359	3.1
151.00208	3.3
151.03857	1.2
157.02817	4.7
159.00775	1.3
159.04424	2.4
160.01595	1.8
161.02345	13.2
162.03006	1.2
163.00159	1.9
163.03905	5.8
165.05493	1.5
166.99748	3.4
168.00551	2.8
169.01335	48.2
169.02786	2.5
170.01704	1.4
171.00797	7.3
173.02356	14.7
175.03941	5.4
176.01091	1.5
177.01813	4.3
178.99840	1.5
179.03325	1.4
185.02365	5.3
187.00278	4.8
187.03915	1.6
188.01044	2.0
189.01851	13.0
190.02608	4.0
190.99695	1.3
191.03372	5.0
192.00471	1.5
193.01303	1.6
199.00294	4.2
200.01085	3.4
201.01875	17.1
203.03387	5.1
204.03877	1.2
205.01286	2.5
209.00928	1.1
211.02368	1.3
214.99831	5.4
216.00468	3.9
217.01358	24.5
218.01901	1.9
219.02907	3.3
226.99812	8.0
227.03444	2.1
228.00488	2.8
229.01398	18.7
230.02025	5.1
230.99300	1.5
231.02954	4.4
233.04404	1.3
239.03557	1.6
241.09647	1.7
242.99297	6.5
244.00056	5.0
245.00871	36.8
246.01257	3.6
247.02477	11.5
249.03995	2.0
253.01439	1.6
254.99400	2.8
255.02812	2.2
257.00800	7.2
258.01505	3.0
259.99457	1.6
261.00333	3.9
261.04025	1.5
263.02072	1.2
267.03098	2.1
269.00833	1.6
270.98758	14.4
271.99390	3.4
273.00397	62.2
274.00961	6.5
275.01996	15.4
277.03497	2.4
283.10886	10.2
283.99658	3.1
284.03030	1.5
285.03970	7.3
287.01956	2.2
288.99817	1.4
291.01550	2.5
295.04474	1.7
297.00482	1.3
298.98349	24.5
299.99081	15.7
300.99890	100.0
301.11774	1.6
302.00229	12.4
303.00729	3.5
305.02969	3.5
313.05649	2.9
315.01453	2.4
316.99384	17.3
317.99576	1.5
343.00928	2.2
349.02011	2.5
447.04895	1.5
463.17096	2.1
465.06857	6.6
483.18875	2.1
503.16345	2.0
527.08917	1.2
551.04962	2.0
581.05359	1.3
597.05615	1.4
617.07867	15.7
618.08209	1.8
723.09094	1.5
747.04657	4.0
749.06177	17.9
750.06787	3.4
765.05560	2.5
767.07452	23.4
768.07709	3.4
797.07843	1.4
917.06964	20.7
918.07324	3.1
935.07745	11.2
967.11121	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	967.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01765	1.2
69.03316	1.9
69.37831	8.3
71.01266	4.2
83.01281	1.0
85.02848	1.1
88.53590	1.0
89.02329	1.9
89.03807	0.8
95.01261	7.8
97.02807	1.2
98.19755	1.5
105.03328	0.9
107.01267	6.0
109.02814	1.9
111.00757	1.6
113.02325	1.4
115.01800	1.1
117.03354	5.1
119.04924	2.6
121.02856	1.5
123.00780	16.6
124.01573	1.8
125.02333	38.5
126.02616	2.0
129.03363	2.1
131.01241	0.9
132.04459	2.7
133.02863	4.7
135.04457	1.6
137.02267	1.1
138.04596	0.9
139.00256	3.4
140.01103	1.5
143.01286	3.7
145.02847	14.1
147.04398	3.3
149.02315	2.7
151.00275	2.6
157.02908	4.6
159.00787	1.5
159.04384	2.2
160.01543	2.1
161.02335	13.2
163.00285	2.6
163.03903	6.5
165.01927	1.6
166.99744	5.9
168.00505	3.0
169.01335	41.8
170.01720	1.6
171.00757	4.8
171.04477	0.8
172.01546	1.6
173.02353	13.4
175.00266	1.5
175.03928	5.0
177.01822	4.6
179.03413	2.3
185.02351	5.0
187.00279	3.1
187.03934	1.3
188.01083	1.4
189.01852	15.1
189.05406	1.1
190.02643	5.2
191.03398	6.1
193.01405	2.0
195.04488	0.9
199.00308	3.7
200.01022	4.4
201.01865	18.4
202.02336	1.0
203.03482	4.6
205.01344	2.7
205.04890	0.8
209.05930	1.0
211.02351	2.3
213.01659	1.0
214.02689	1.2
214.99788	4.0
215.03432	1.3
216.00470	4.9
216.99228	1.3
217.01355	25.1
218.01901	1.4
219.02896	2.9
221.00853	1.1
226.07555	0.8
226.99855	7.5
227.03421	2.4
228.00543	4.5
229.01381	20.4
229.04799	1.2
230.02074	2.9
231.02881	6.5
235.02388	1.1
239.03366	1.3
241.01486	1.3
241.09755	4.2
242.99261	6.3
244.00121	6.7
245.00879	40.4
246.01424	2.7
247.02414	9.6
249.04102	2.1
254.99304	2.2
255.02939	2.1
255.11342	1.4
256.03519	0.9
257.00873	6.7
257.12970	3.4
258.01608	2.0
259.02338	1.9
259.99542	1.2
261.00342	3.8
261.03781	0.9
267.02933	2.1
270.98837	19.6
271.99481	3.7
273.00403	63.3
274.00903	7.4
275.01996	16.3
276.02258	1.3
277.03366	1.4
283.02597	1.5
283.06128	1.2
283.10855	21.8
283.99557	2.6
284.02994	1.0
285.03870	1.6
287.02072	1.3
288.99854	1.8
291.01340	2.7
295.04660	1.9
298.98367	26.4
299.01822	2.1
299.99100	17.1
300.02496	1.4
300.99890	100.0
301.11749	4.3
302.00256	9.8
303.00745	2.2
305.03110	2.5
313.05640	2.8
315.01242	1.6
316.99435	13.5
327.01563	1.3
331.01074	1.6
339.04901	1.1
343.00851	3.0
349.02087	3.5
355.04584	1.1
400.57175	0.9
401.05157	1.1
429.04211	1.0
445.04254	1.6
459.17725	1.8
463.17233	7.5
465.06921	4.2
503.16699	3.3
549.35443	0.9
551.04822	1.7
553.06073	1.3
579.04517	1.6
597.05298	2.9
613.05341	1.1
615.06299	1.6
617.07947	11.1
721.05969	1.2
723.08966	1.1
743.29443	1.7
747.05176	2.7
749.06281	18.3
750.06750	1.9
765.06012	3.5
767.07214	19.5
768.08008	1.8
797.07153	1.4
824.97510	1.1
864.08246	1.0
873.10022	1.5
891.09375	1.4
893.09576	1.2
905.79150	1.2
917.06830	19.4
918.07123	3.4
935.07983	11.8
936.08447	1.3
967.09583	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	967.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57304	0.7
84.64540	0.4
91.01760	0.4
93.03359	0.6
95.01251	0.9
99.00784	0.7
107.01263	1.2
109.02845	1.4
117.03327	0.5
119.01281	0.7
119.04839	0.6
121.02882	1.3
123.00768	1.6
125.02346	5.5
129.03380	0.5
133.02843	1.3
135.04344	0.5
136.98718	0.5
137.02333	4.4
138.99379	0.4
145.02850	2.4
147.04449	1.6
149.02344	1.9
151.00299	1.7
151.03894	0.5
157.02847	0.9
159.04471	0.9
161.02287	2.1
161.06041	0.5
163.00302	2.9
163.03937	1.6
164.01003	0.6
165.01826	1.3
169.01347	6.6
173.02356	3.0
175.03935	1.9
177.01854	1.7
177.05566	0.5
178.99825	0.9
185.02365	3.4
187.00322	1.1
189.01863	2.3
190.02620	0.9
190.99815	1.9
191.03445	1.5
193.01360	4.5
199.00166	0.6
200.01041	0.5
201.01843	4.4
202.99907	0.4
203.03461	2.6
205.01466	1.1
205.05014	0.9
213.01840	0.9
214.99867	0.8
216.00525	1.0
217.01309	3.1
218.99374	0.5
219.02921	1.2
226.99890	0.6
228.00633	0.9
229.01352	5.8
230.02083	0.7
231.02975	3.1
233.00797	0.7
237.00322	4.9
242.99402	1.2
243.02934	0.4
243.99963	0.5
245.00874	4.7
246.01491	1.0
247.02457	2.4
248.02928	0.6
249.04062	1.9
254.99341	0.5
255.02924	1.0
256.03464	0.5
257.00861	3.8
258.01535	0.7
261.00406	1.2
263.05524	1.1
270.99017	2.3
271.01990	2.0
271.99335	0.5
272.02832	0.6
273.00415	5.8
274.01099	1.1
275.01999	7.1
276.02112	0.6
279.05045	0.5
283.10834	0.6
283.99701	2.5
285.00070	0.5
298.98285	2.4
299.01971	2.6
299.99075	5.1
300.02701	2.6
300.99905	100.0
302.00244	7.6
302.03394	0.6
303.00662	0.7
305.03116	1.3
307.04535	1.5
313.05875	0.4
316.99335	1.6
321.64517	0.6
339.03989	0.7
340.04462	0.8
349.02136	0.8
351.03540	3.0
445.10110	0.5
462.08026	0.6
463.09174	2.8
464.09140	1.3
495.07642	2.7
496.07242	0.5
502.10028	3.0
503.10251	1.6
537.33386	0.5
542.69891	0.5
615.06689	0.7
753.41309	0.5
797.08539	2.4
967.10718	8.4
968.10486	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
69.91974	2.3
69.92389	1.6
95.01266	1.7
98.19838	0.7
105.03298	0.9
111.00772	1.7
117.03360	3.9
119.04927	1.4
121.02842	0.8
123.00751	2.1
125.02319	3.0
129.03363	0.9
133.02858	4.0
135.04393	0.7
137.02382	1.0
139.00266	2.6
145.02843	6.3
147.00835	1.3
147.04424	2.5
149.02350	1.3
157.02824	1.8
159.00778	1.2
159.04381	0.9
160.01587	1.5
161.02356	7.1
162.03009	0.9
163.00240	1.6
163.03935	4.2
166.99783	1.3
169.01369	3.6
171.00815	2.2
173.02403	4.7
175.00391	1.6
175.03937	2.8
176.00894	1.0
177.01906	4.1
177.99023	0.7
179.32350	0.7
182.99367	3.4
183.00764	0.9
185.02405	3.3
187.00267	4.2
188.00978	0.9
189.01880	9.3
190.02519	1.4
190.99782	1.2
191.03514	3.7
193.01398	1.0
193.75687	0.7
199.00307	1.5
200.01103	1.4
201.01852	6.3
202.02312	0.7
202.99828	0.9
203.03433	2.5
204.00691	0.8
205.01405	3.7
213.01871	1.1
214.99815	5.9
216.00665	1.2
217.01405	9.1
217.63194	0.6
218.01804	1.0
219.02905	1.7
221.00876	0.8
226.99849	2.0
228.00490	1.4
229.01387	9.3
230.01912	1.5
230.99352	2.4
231.02843	2.1
231.99904	1.2
233.00887	2.8
242.99290	7.7
244.00075	1.6
245.00891	13.2
246.01222	1.4
247.02432	7.2
248.02843	1.2
249.03993	1.9
254.99190	1.0
257.00873	5.6
257.04797	0.7
258.01608	1.2
258.98959	1.2
259.99579	1.6
261.00354	5.8
263.01898	2.0
270.98840	18.2
271.99307	2.5
273.00427	18.7
274.00769	3.2
275.02036	10.5
283.99609	2.9
285.00296	0.9
286.98334	5.6
288.99863	8.8
290.00729	1.1
291.01459	5.1
298.98325	27.4
299.98947	12.0
300.99884	100.0
302.00211	14.0
303.00574	4.5
314.97849	5.7
315.98544	3.3
316.99371	64.9
317.99777	3.8
319.00458	0.8
405.04236	0.9
417.04935	1.0
445.03812	1.7
461.03641	2.2
463.05298	3.4
479.04614	2.6
613.04736	1.1
633.06952	0.9
763.06293	0.8
765.05835	1.0
781.05872	1.1
799.05682	0.9
931.06866	1.0
935.07996	4.9
949.05121	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	967.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71352	10.3
86.23014	1.4
89.03822	1.5
111.00771	2.3
115.15119	1.3
116.83737	1.5
117.03356	2.8
121.02863	2.0
123.00761	1.8
123.04439	1.4
125.02335	3.8
126.69298	1.4
133.02837	3.5
139.00272	3.0
145.02873	7.8
149.02359	2.9
161.02364	8.4
163.00311	1.9
163.03922	3.8
169.01379	4.6
173.02379	6.1
175.03928	4.9
177.01851	3.7
182.99251	2.4
185.02419	2.3
187.00359	3.2
189.01860	7.5
190.02597	2.1
191.03424	5.5
201.01880	6.2
203.03471	4.2
203.44150	1.9
205.01358	4.8
207.02945	1.6
214.99821	5.8
216.00711	2.0
217.01384	9.9
219.02937	3.5
226.99895	1.8
229.01433	6.5
230.99359	3.5
233.00813	3.1
242.99370	8.2
244.00021	3.3
245.00858	11.8
247.02415	13.0
249.03996	2.3
257.00894	5.4
259.99496	2.7
261.00372	7.1
270.98825	20.6
271.99420	2.4
273.00424	23.8
274.00980	2.0
274.45117	1.6
275.02017	14.8
286.98416	5.3
287.99118	2.2
288.99893	8.8
291.01508	6.1
298.95221	2.8
298.98349	33.2
299.99078	11.5
300.99893	100.0
302.00208	8.6
314.97888	6.0
315.98416	3.4
316.99374	69.4
317.99606	3.5
445.04172	3.7
461.03824	2.0
463.04639	1.5
479.04688	3.9
547.61066	1.6
676.65894	1.6
781.06525	1.7
949.05798	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	967.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
67.29906	0.8
70.04069	0.8
77.63247	0.7
111.00771	2.5
114.53025	1.0
117.03344	2.3
117.97087	0.8
119.04909	0.8
123.00771	2.5
125.02361	3.7
131.01247	0.9
133.02841	2.0
139.00233	1.5
145.02901	4.8
147.00777	1.9
147.04359	1.8
149.02380	1.6
159.00761	1.6
160.01563	0.9
161.02339	6.7
163.00272	1.3
163.03975	2.4
166.99825	1.7
169.01337	3.6
171.00798	1.5
173.02365	4.1
175.03870	1.4
177.01868	3.1
182.99258	2.3
185.65282	0.9
187.00304	4.2
188.01031	1.1
189.01840	8.0
190.02603	1.5
191.03433	2.8
199.00302	1.2
200.01100	1.2
201.01857	5.3
202.99850	1.1
203.03502	2.1
205.01376	4.1
214.99834	5.5
216.00584	1.5
217.01369	5.9
218.01866	1.0
219.02925	1.2
221.74672	0.9
226.99840	1.6
228.00504	1.3
229.01379	5.5
229.89832	1.4
230.99327	2.0
231.02869	1.3
232.00026	1.1
233.00876	2.5
242.99301	6.6
243.99942	1.0
245.00867	13.5
246.01332	2.2
247.02495	6.3
249.04008	1.5
257.00845	3.3
258.01501	1.3
258.98764	1.0
259.99377	0.8
261.00345	7.4
261.76340	0.8
262.00815	1.2
263.01971	1.3
270.98859	17.2
271.99252	2.2
273.00421	17.9
274.00873	2.6
275.01965	9.5
283.99655	1.4
286.98334	3.9
288.99915	7.6
291.01550	4.5
298.98309	30.9
299.98935	7.6
300.99896	79.3
302.00238	7.0
303.00601	1.0
314.97812	7.2
315.98627	4.2
316.99384	100.0
317.99683	4.3
340.99106	0.9
399.30682	0.9
405.04749	1.1
417.04562	1.1
433.04309	1.6
441.99521	1.0
443.02344	0.9
445.04297	2.3
461.03842	4.1
462.04001	1.0
463.05060	2.3
479.04556	2.5
613.04169	0.9
736.24243	1.0
765.05219	1.3
781.05298	2.0
935.07153	1.3
949.06445	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	965.5473
Annotation	Unknow
Peak:m/z	Relative Intensity
67.54663	0.9
70.93679	0.9
71.01259	13.8
71.47595	1.3
71.47939	1.0
72.99182	1.1
73.02826	1.9
83.01256	2.0
85.02818	4.0
87.00757	4.0
89.02319	12.0
89.18454	0.8
95.01266	1.3
96.95889	1.9
97.02802	1.9
99.00733	1.0
101.02322	11.9
111.04429	1.0
111.08039	7.2
113.02332	5.9
116.46940	0.8
119.03384	2.8
125.02319	4.8
143.03377	2.0
161.04494	2.5
167.10664	1.8
177.12744	1.6
179.05524	3.4
179.10681	2.0
179.14192	0.9
195.13823	11.7
221.06532	1.5
223.13304	4.5
235.08116	4.0
247.20598	2.4
253.09311	1.2
256.13177	1.3
273.18735	1.4
275.20050	4.8
287.07736	1.0
291.19675	81.4
292.19968	5.6
293.21231	100.0
294.21497	4.6
301.00049	1.9
323.09674	0.9
379.12598	2.1
379.99988	0.8
397.13495	33.4
398.13800	2.4
415.14572	14.3
416.15054	1.0
456.88739	1.1
671.33405	1.8
673.33905	1.2
689.33917	7.7
690.34491	1.5
691.35297	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	967.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05238	1.1
71.05592	1.4
73.10013	1.0
77.42475	1.0
105.03358	1.5
111.00751	2.6
115.01869	1.1
116.48196	1.2
117.03362	2.7
123.00790	3.9
125.02381	6.7
129.03365	1.3
131.01312	1.5
133.02869	3.7
134.54305	1.1
135.04460	1.3
139.00291	2.1
145.02850	7.8
147.00748	1.6
147.04420	2.6
149.02327	1.3
157.02908	2.6
159.00868	1.3
161.02351	9.9
163.00261	1.6
163.03918	3.6
166.99797	1.4
169.01361	5.8
171.00740	1.3
173.02365	8.4
175.00330	2.2
175.03915	3.1
177.01846	5.7
182.99298	2.9
185.02379	3.1
187.00340	5.5
188.00919	1.4
189.01888	12.7
190.02473	1.8
191.03452	6.9
199.00430	1.1
201.01909	6.7
202.02359	1.1
202.99803	1.6
203.03470	3.1
205.01392	5.2
207.02890	1.1
214.99855	5.7
217.01349	12.5
219.02902	2.9
221.04524	1.6
229.01390	7.0
230.02058	1.7
230.99361	4.0
231.02913	2.0
233.00880	4.9
242.99326	8.7
243.03021	1.3
245.00926	16.3
246.01201	2.6
247.02466	16.2
248.03098	1.2
249.04005	1.6
257.00934	6.0
258.98767	1.7
259.99603	2.2
261.00415	9.7
263.01996	3.2
270.98883	21.9
271.99326	1.7
273.00427	27.1
273.03397	2.1
274.00888	3.4
275.01974	9.5
283.99564	2.3
286.98260	5.6
288.99924	8.9
290.00357	1.6
291.01413	6.6
298.98328	29.8
299.99011	10.8
300.99902	100.0
302.00250	7.8
303.00415	1.8
314.97842	7.4
315.98502	5.4
316.99390	89.6
317.99750	4.9
344.00632	1.2
435.05853	2.2
445.04602	1.9
461.03445	3.5
463.04956	2.1
479.04529	1.3
541.69763	1.2
737.05951	1.3
781.05988	1.8
799.04993	1.2
949.05890	1.9
967.07324	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	965.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	5.8
73.02832	1.9
73.10581	1.7
75.00765	1.8
79.95606	40.5
80.96385	42.8
83.04870	1.6
83.90143	1.6
87.00758	2.3
89.02321	4.8
95.95121	4.3
96.95886	71.1
97.02842	3.2
98.20602	2.7
101.02306	6.2
109.06459	5.0
113.02334	2.8
121.06309	1.8
125.02374	2.5
162.55635	1.8
163.11153	4.4
169.01324	6.0
205.54335	1.4
207.10164	7.9
209.11790	20.9
225.11244	3.1
227.12860	1.9
247.02544	1.8
247.09489	2.0
273.00394	2.8
275.01950	2.3
277.21719	14.4
285.74109	1.5
298.98535	2.2
299.99042	3.0
300.99866	8.5
302.00650	1.8
307.08539	2.5
326.62149	1.5
442.67947	1.6
445.29395	3.5
965.44122	100.0
966.44006	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	965.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	6.1
73.02802	1.1
75.00767	1.5
78.91759	24.0
79.95173	2.3
79.95609	32.9
80.96393	33.2
83.01262	2.5
83.04906	1.3
87.00775	1.7
89.02319	3.9
95.01250	1.8
95.95071	1.5
96.95888	53.9
97.02831	2.6
101.02320	4.4
109.06466	2.1
113.02345	2.8
120.90180	1.1
125.02327	1.6
143.90837	1.1
163.11212	1.7
201.91687	1.1
207.10153	5.0
209.11798	16.9
210.12149	1.5
225.11250	1.5
247.09515	2.7
277.21722	18.6
278.22086	1.4
301.00006	2.6
404.46152	1.3
432.27917	1.3
497.54575	1.5
750.54181	1.4
757.02179	1.4
910.97858	1.4
965.44202	100.0
966.44751	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	965.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01775	0.5
69.34764	1.5
69.35164	3.8
71.01259	10.4
72.99156	1.0
73.02819	2.0
80.04930	1.4
83.01253	1.3
85.02834	2.8
87.00726	0.9
88.01035	0.5
89.02324	7.1
91.06870	0.4
95.01258	1.7
96.95876	1.0
99.00780	0.7
101.02338	5.1
104.04929	0.7
106.06509	3.1
108.04395	0.7
113.02332	3.5
119.03401	2.0
120.08038	0.5
121.05199	0.6
122.06007	5.2
123.00845	0.6
125.02329	1.6
132.04420	2.2
134.06023	21.4
150.03122	0.5
152.07100	3.4
158.02388	0.7
160.03952	0.9
160.06320	2.2
162.81711	0.5
169.01360	2.6
174.05502	0.7
186.05554	0.5
189.01723	0.5
190.05046	2.9
192.06734	0.6
200.03404	0.5
202.25211	0.5
213.10272	10.9
223.08830	0.7
225.10350	1.4
226.11006	0.6
227.11864	1.3
229.01337	0.9
235.08803	0.8
236.50958	0.6
237.10268	0.9
239.11885	6.3
240.10184	0.6
241.13445	4.5
245.00856	0.8
247.02516	0.5
247.08580	0.5
249.10310	0.7
251.11815	2.5
263.08237	0.8
265.09753	1.5
267.11368	6.2
273.00330	0.9
275.01828	1.1
277.09836	1.9
278.10504	0.5
285.12479	13.2
286.12881	0.7
291.07602	0.6
293.12970	1.6
295.10873	0.8
299.99231	1.1
300.99899	8.0
305.09271	1.6
307.10867	0.7
309.09106	0.6
309.12454	0.6
314.12595	0.9
316.14505	2.0
324.11505	0.6
327.13470	1.8
328.10873	2.0
328.14383	0.5
330.12473	0.8
330.16113	0.9
337.11826	2.8
340.10840	1.2
340.14545	6.5
341.11478	0.8
342.12457	1.4
343.13138	1.6
344.13885	1.5
354.12308	0.8
356.13882	2.1
356.17908	0.9
357.14835	1.5
358.15634	6.0
367.09534	0.6
367.58807	0.6
368.10336	1.6
368.14316	0.9
369.14853	0.8
370.11618	1.2
370.15610	1.8
372.17374	1.0
382.11578	1.3
382.15805	1.3
384.13382	6.0
384.17474	1.1
385.14243	0.6
396.13516	1.9
397.14282	2.0
398.15015	3.5
399.15662	0.8
400.16794	5.0
401.16684	0.6
410.15036	1.2
412.16754	5.9
416.16193	0.9
426.14566	1.6
438.14484	0.7
444.15677	2.0
456.15503	1.0
475.17578	1.3
490.20117	0.6
505.22665	1.1
517.18451	1.5
531.20502	1.0
545.21484	1.1
563.22919	0.9
573.21613	1.2
591.22064	1.0
685.28802	1.0
707.27094	0.6
725.28204	1.8
727.29675	3.6
730.29712	0.8
743.29327	1.7
753.27747	17.1
754.27722	2.9
771.28839	100.0
772.15784	0.4
772.29065	12.2
785.30298	5.8
795.28735	0.8
803.31476	60.8
804.31860	8.2
813.29462	1.3
845.32532	7.8
949.50256	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	0.2
69.97555	1.2
81.18921	0.2
89.03847	0.5
95.01257	1.0
112.70459	0.2
113.63072	0.2
117.03344	1.2
119.04927	0.5
121.02841	0.3
123.00787	1.5
125.02332	2.8
129.03354	0.4
131.01309	0.3
132.02046	0.5
133.02835	1.3
138.40373	0.2
139.00214	0.3
139.12761	0.2
143.01289	0.4
143.05051	0.2
145.02847	4.3
147.00826	0.3
147.03384	0.2
147.04419	1.0
148.01569	0.3
149.02306	0.3
151.00288	0.5
157.02882	1.4
159.00769	0.3
159.04391	0.7
160.01558	0.8
161.02368	2.9
162.03096	0.5
163.00220	0.6
163.03928	1.3
164.01045	0.3
166.99771	1.2
169.01343	3.9
171.00809	0.8
172.01559	0.5
173.02361	3.9
174.03140	0.4
175.00313	0.3
175.03929	1.1
177.01849	1.1
178.99791	0.7
185.02364	2.6
187.00258	1.2
187.03943	0.4
188.00998	0.6
189.01875	4.1
190.02632	2.2
191.03421	1.3
193.01306	0.3
199.00262	0.9
200.01033	0.8
201.01875	3.8
201.05452	0.2
202.02502	0.4
203.03441	1.9
205.01315	0.5
206.35909	0.2
207.02907	0.3
213.01869	0.7
214.99788	1.3
216.00542	1.3
217.01373	5.9
218.02069	0.8
219.02977	1.0
226.99731	1.0
228.00589	0.9
229.01381	6.4
230.01892	0.5
230.99437	0.4
231.02950	1.7
232.00072	0.5
233.01006	0.5
233.04431	0.2
242.99290	2.4
243.02985	0.4
244.00067	1.4
245.00893	7.9
246.01372	1.0
247.02438	1.8
248.03149	0.6
249.04013	2.2
254.99263	0.6
257.00912	3.7
258.01630	1.0
259.02414	0.4
259.99603	0.4
261.00357	0.9
261.03995	0.3
270.98853	6.6
271.99567	1.3
273.00415	12.3
274.01077	1.2
275.01971	9.3
276.02243	0.5
277.03458	0.7
283.99646	2.5
287.01965	0.7
288.99820	0.5
291.01483	0.7
298.98355	8.7
299.99100	5.8
300.99884	100.0
302.00229	4.2
303.01337	1.2
305.03067	1.8
314.00671	0.3
315.01428	0.6
316.99356	1.9
331.00949	2.1
349.01981	3.0
389.05194	0.3
405.04721	0.4
417.04578	0.5
433.04175	0.7
443.02649	0.8
445.04282	2.1
461.03574	3.0
462.04132	0.4
463.05112	2.6
475.05933	0.3
493.06204	1.2
613.04395	1.4
615.06335	0.7
631.05334	0.4
747.04230	0.3
765.05780	0.8
795.06732	0.5
897.04987	0.3
915.06281	0.5
933.06409	8.5
934.06500	0.8
965.09180	4.5
966.09912	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
90.12757	0.5
95.01273	1.0
101.03863	0.5
111.28189	0.5
115.01778	0.5
117.03352	2.1
119.04911	0.5
123.00808	2.4
125.02334	2.9
133.02834	1.6
145.02847	5.7
147.04425	1.6
149.02277	0.6
157.02859	1.8
159.04411	0.6
161.02362	4.1
161.05899	0.5
163.00259	0.6
163.03885	2.5
166.99756	1.2
169.01338	1.9
171.00755	0.9
173.02347	5.6
175.03825	1.1
177.01836	0.9
179.03368	0.8
184.01558	0.6
185.02412	3.6
187.00304	1.7
188.01012	1.0
189.01881	5.6
190.02635	2.2
191.03381	1.6
199.00305	1.0
200.01234	0.8
201.01845	6.1
202.02539	0.6
203.03395	2.0
214.99811	2.2
216.00661	1.6
217.01381	7.9
218.02049	1.0
218.77534	0.5
219.03032	0.8
226.99843	1.4
228.00482	0.7
229.01355	7.1
230.01968	0.7
231.02985	2.1
242.99336	3.4
243.02968	0.6
244.00005	1.0
245.00888	13.2
246.01372	1.1
247.02469	2.4
248.03157	0.8
249.03944	2.5
257.00909	4.6
258.01660	1.1
261.00357	1.9
267.51068	0.5
270.98859	10.0
271.99487	1.1
273.00418	14.1
274.00998	1.5
275.01981	9.7
283.99689	3.1
286.98291	0.5
291.01581	1.0
298.98303	9.8
299.99081	9.0
300.99890	100.0
302.00244	6.0
316.99463	1.7
331.00943	0.9
349.01944	1.0
362.87198	0.6
417.04053	0.7
445.04034	2.1
461.03696	2.0
463.05209	1.0
493.06116	0.6
613.04797	1.2
933.06653	5.8
934.06873	0.7
965.08618	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	965.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23615	4.1
69.23936	0.6
74.15820	0.3
77.57092	0.3
78.97872	0.3
87.93781	0.3
89.49929	0.3
90.90311	0.4
95.01247	0.4
107.01272	0.4
117.03345	0.9
119.04842	0.4
123.00769	1.2
125.02324	3.4
129.03310	0.6
133.02808	0.8
137.02245	0.4
145.02844	3.2
146.03371	0.4
147.04402	1.2
149.02325	0.4
151.00310	0.7
157.02878	1.0
159.04385	0.5
161.02353	3.2
163.00281	0.7
163.03899	1.3
166.99622	0.5
169.01323	5.0
172.01474	0.4
173.02350	2.9
174.03001	0.5
175.03944	1.5
176.01157	0.5
176.02626	0.4
177.01822	0.9
179.03397	0.6
185.02359	2.2
187.00259	0.8
187.03856	0.4
188.00864	0.6
189.01859	2.9
190.02629	1.4
190.99933	0.4
191.03421	2.9
194.99376	0.3
199.00146	0.5
201.01865	4.0
203.03452	1.7
205.01300	0.4
213.01857	0.7
214.99782	0.9
216.00616	1.0
216.99458	0.5
217.01399	6.5
218.02037	0.5
219.02859	1.0
226.99748	1.0
228.00616	0.4
229.01363	7.3
231.03004	1.0
233.04594	0.4
242.99352	1.0
243.03151	0.4
244.00168	0.9
245.00908	5.3
246.01553	0.4
247.02443	0.9
248.03220	0.4
249.03952	2.4
254.99260	0.6
257.00897	3.2
258.01328	0.5
258.40674	0.4
261.00381	0.8
270.98843	1.8
271.02408	1.2
271.99567	0.7
273.00415	4.9
274.00983	0.7
275.01996	5.6
277.03632	0.7
283.99695	2.5
286.98468	0.4
287.02029	0.5
293.03003	1.0
298.98398	2.2
299.99088	4.9
300.02737	1.2
300.99893	100.0
302.00296	6.0
305.03168	1.0
312.01682	0.4
316.99408	0.7
331.01456	0.4
331.06607	0.4
349.02097	1.3
457.17136	1.0
461.03934	0.4
463.09152	2.1
493.06195	1.3
501.19653	2.9
589.08630	1.0
613.04602	0.4
897.41327	0.4
933.06299	0.6
965.08746	5.5
966.10132	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6862
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01246	0.9
71.57775	0.4
71.73783	0.3
81.03336	6.8
83.04898	15.3
87.00745	0.8
89.02322	0.5
95.01277	0.7
96.95900	0.7
101.02325	0.6
107.01264	1.0
107.06020	0.4
108.04400	0.5
115.00233	0.7
115.82658	0.3
120.56850	0.4
123.00762	1.2
125.02342	3.5
125.07081	0.8
126.05492	0.6
143.01457	0.4
145.02840	0.6
150.03181	0.3
151.00233	0.8
161.02345	0.4
167.03474	0.4
168.00667	0.4
169.01317	4.0
170.01680	0.5
175.02373	1.3
176.02606	0.4
178.99725	0.4
207.14899	1.3
211.02394	0.4
214.99712	0.4
216.00575	1.1
217.01355	0.8
224.17630	2.4
225.16043	10.7
227.03285	0.4
229.01355	0.5
242.18721	0.4
242.99335	0.6
245.00867	0.4
257.00760	0.5
259.99734	0.7
270.98874	0.8
271.04807	0.4
273.00430	0.6
275.01935	1.1
285.04010	0.4
298.98288	1.4
299.99094	1.4
300.02292	0.4
300.99875	4.4
301.03516	1.0
302.00394	0.6
303.01254	1.0
309.21732	1.1
333.22845	0.5
341.29001	0.9
347.00446	2.7
348.00696	0.5
433.31812	1.6
450.34552	1.3
451.32898	7.9
452.32907	0.6
550.43469	0.8
567.45703	0.8
593.44061	0.4
659.48401	0.6
677.50024	1.5
885.65332	0.6
903.66498	100.0
904.66833	16.8
963.36877	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.59
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03321	2.9
71.01257	18.6
71.56745	1.8
72.99191	1.9
73.02821	3.0
83.01264	1.8
83.04885	1.3
85.02828	7.6
87.00744	3.6
89.02322	17.1
95.01286	2.3
97.02826	4.7
97.06479	1.6
101.02330	14.2
111.04357	1.0
113.02332	8.4
119.03368	5.1
125.02364	6.0
125.09645	1.1
127.11195	1.4
137.09631	1.8
143.03386	2.7
161.04457	2.3
171.10207	20.8
179.05482	2.9
183.13817	2.9
201.11311	1.1
209.11739	1.8
211.13385	12.0
221.06514	1.7
221.11755	1.1
229.14392	9.0
235.08257	5.4
239.12724	1.9
244.34122	1.1
253.09019	1.1
255.23274	36.8
256.23489	1.7
291.19699	3.2
309.20679	6.4
323.10138	1.2
327.21768	100.0
328.21954	6.2
336.52652	1.0
397.13513	58.1
398.13733	2.9
415.14551	16.7
489.36032	5.5
512.98401	1.1
653.37292	5.5
707.35046	4.2
708.35431	1.3
725.36530	2.0
958.18341	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.538
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03319	1.3
69.87247	0.6
71.01258	13.9
71.56847	1.0
72.99185	1.8
73.02814	2.6
75.64624	0.6
76.15948	0.7
78.67844	0.6
81.03364	1.1
83.01264	1.7
85.02814	4.3
87.00751	5.1
89.02326	12.0
95.01278	1.0
96.95891	1.6
97.02790	1.5
99.00797	0.8
101.02322	11.1
103.82008	0.7
113.02321	5.9
119.03377	3.1
125.02364	5.4
130.86543	0.7
141.01642	0.8
143.02280	0.7
143.03413	2.2
161.04436	4.0
179.05508	3.4
183.13821	7.3
193.12167	1.6
209.11772	1.4
211.13345	100.0
212.13672	3.7
221.06624	2.3
235.08188	3.5
253.09322	0.8
253.14430	0.9
277.21735	43.4
278.22067	2.7
287.07730	1.9
305.08817	1.6
323.09915	1.4
379.12424	9.9
387.22824	0.8
397.13483	37.0
398.13751	1.1
415.14600	5.3
445.09262	0.7
471.62616	0.7
589.95215	0.7
591.26599	6.9
595.25446	0.7
609.27722	8.7
610.27734	1.1
657.34277	1.2
675.35925	1.9
795.71277	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5383
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	1.4
71.01250	18.8
71.56499	1.2
71.56902	0.9
72.99207	1.4
73.02805	2.9
74.34308	0.8
75.00754	1.1
75.72791	0.9
82.73087	0.8
83.01261	1.3
85.02807	3.8
87.00758	4.8
89.02318	15.3
95.01262	1.4
96.95908	6.4
97.02841	2.8
99.00779	0.9
101.02324	13.0
113.02336	7.2
119.03387	4.1
125.02333	6.3
143.03407	3.6
161.04463	4.2
179.05530	3.3
183.13841	5.5
193.12253	2.7
199.05965	1.1
203.83723	0.8
209.11763	1.3
211.13336	100.0
212.13634	3.3
213.37796	0.8
221.06627	1.4
228.45911	0.8
235.08173	5.7
242.02423	0.9
253.09392	1.1
259.08148	0.9
277.21716	60.7
278.22147	2.0
287.07697	2.0
291.23273	0.9
305.08817	1.9
323.09784	1.7
379.12405	12.1
397.13501	46.7
398.13849	2.0
415.14563	9.6
424.01102	0.9
459.40082	0.8
479.03885	0.8
578.11963	0.9
591.26648	6.7
609.27515	5.2
657.34979	2.6
675.36194	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	959.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22223	21.1
69.22650	15.1
71.01247	4.3
72.99144	3.1
75.00708	2.7
96.95866	4.3
108.38503	2.8
108.83154	2.8
123.00785	6.7
125.02330	9.6
126.98337	3.8
137.02371	4.2
141.01498	5.4
154.02275	3.3
159.04443	3.5
169.01379	9.5
177.01764	4.6
189.01715	3.5
190.02608	8.1
193.01294	6.9
201.01849	3.4
203.03189	5.1
209.11760	7.1
218.02133	11.5
221.00885	9.4
228.00563	6.6
229.01346	5.0
230.02068	4.3
241.04945	4.3
242.02298	6.0
243.02954	5.2
246.01666	3.5
255.02831	3.1
257.00815	6.0
258.01727	6.5
259.02350	3.8
271.02362	5.0
273.00418	4.5
274.01184	67.6
281.04419	4.2
283.02383	3.9
287.01993	12.7
299.01831	23.3
299.99298	6.6
300.02832	8.2
300.99826	10.5
307.02557	4.3
308.03345	3.9
312.02710	8.5
324.99905	8.2
325.03516	6.6
339.04910	4.0
340.05804	5.7
377.86981	3.7
433.91656	3.4
451.13922	50.5
452.14310	3.8
469.15030	19.1
495.12704	6.2
522.99463	3.5
581.06653	3.1
705.24023	4.9
818.19263	3.8
915.36511	44.5
916.36786	10.7
941.34290	34.2
942.33191	5.4
959.35419	100.0
960.35492	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	957.5073
Annotation	Unknow
Peak:m/z	Relative Intensity
66.60058	2.3
67.01762	2.0
69.03304	2.4
70.74871	5.5
71.01252	26.8
72.99169	2.5
73.02825	7.0
79.95691	1.8
81.03345	3.1
83.01254	4.7
83.04912	10.3
85.02829	21.3
87.00751	9.1
89.02319	22.7
95.01253	2.3
96.95890	5.2
97.02841	7.0
97.79541	1.9
101.02323	19.4
103.10136	1.8
104.91559	1.9
109.06446	2.6
113.02343	12.1
116.92734	5.9
119.03413	5.3
120.77942	2.3
125.02340	9.8
142.02576	2.7
143.03349	2.7
161.04509	5.1
171.10078	4.9
177.12752	6.8
179.05609	3.8
195.13870	4.0
203.43907	2.3
221.11786	100.0
222.12056	2.8
225.14899	3.7
235.08192	7.3
239.12874	58.9
239.64243	2.4
240.45982	2.2
277.21735	80.7
278.22369	2.8
287.07797	2.6
305.08813	3.0
317.96558	2.3
379.12241	5.3
397.13538	56.5
398.14099	2.8
415.14853	12.3
619.25812	8.3
637.26764	4.4
851.82281	2.7
897.48724	32.7
898.49310	5.0
936.57007	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	957.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03313	3.3
71.01263	21.3
71.49274	2.1
72.99164	2.3
73.02824	4.1
75.89673	1.7
77.10579	1.7
81.03333	4.4
83.01279	4.0
83.04893	9.8
85.02832	19.1
87.00761	6.3
89.02328	17.6
95.01268	2.3
96.20909	1.6
96.95908	2.1
97.02847	5.7
101.02328	16.8
109.06461	3.2
109.95905	1.6
113.02354	10.5
116.92751	2.8
119.03387	2.1
123.04365	2.0
125.02355	8.8
142.02576	2.3
143.03406	3.7
147.08139	1.7
161.04482	4.2
171.10178	7.8
177.12799	11.3
179.05498	6.0
195.13791	4.3
221.11787	100.0
222.12151	3.5
223.13373	2.3
235.08257	4.1
235.40869	1.8
239.12854	62.4
277.21722	60.9
278.22073	5.0
305.08838	4.2
379.12479	6.8
397.13480	39.0
415.14606	12.8
461.10721	1.9
512.29993	2.0
562.73340	2.1
564.76178	2.0
619.26331	11.9
637.27454	13.2
713.35669	2.3
735.54492	2.0
897.48505	29.3
898.49011	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	955.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77712	23.3
71.01257	31.5
73.02813	7.6
83.01263	6.9
87.00761	6.6
89.02328	26.4
92.89641	3.6
95.01292	4.8
96.95891	9.0
97.02843	5.8
99.00809	3.2
101.02316	17.6
113.02335	9.3
114.78085	3.6
115.00237	5.1
116.92821	4.3
119.03352	4.4
123.00768	7.6
125.02354	24.1
143.03391	5.2
161.04457	9.4
163.11163	8.5
169.01421	18.7
171.10199	100.0
171.38759	3.9
179.05562	12.7
181.12184	3.8
201.11259	8.0
207.10226	17.3
211.13304	4.1
225.11307	67.1
226.11385	3.3
233.03055	3.7
235.08070	7.4
253.09256	4.0
273.00455	4.9
277.21762	75.9
278.22018	7.4
291.19720	4.7
299.99088	7.4
300.99899	20.2
379.12430	22.6
397.13516	78.0
398.13623	5.5
415.14667	23.1
551.23303	8.1
569.24298	9.2
605.24268	8.2
623.25763	15.4
657.34613	6.6
675.36414	5.7
684.08380	4.2
701.61908	4.3
857.44629	5.9
883.46942	22.3
884.46899	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	955.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01750	0.4
71.01267	0.6
71.57441	0.6
75.63210	0.3
77.92351	0.3
81.03328	0.7
81.20641	0.3
83.01247	0.4
88.98663	0.4
89.02303	0.5
91.01763	1.5
93.03345	0.5
95.01253	0.7
96.95899	0.5
101.02359	0.4
107.01254	0.3
108.02009	0.3
109.02840	2.4
111.00758	0.3
115.00230	0.3
116.92744	1.1
119.01273	2.3
121.02831	0.4
123.00757	0.7
125.02341	1.3
136.01515	0.5
137.02342	12.3
139.00285	0.5
145.02818	0.3
147.00780	6.1
149.02235	0.4
150.03111	0.7
151.00240	0.3
155.03380	0.5
161.02371	0.5
163.00258	2.5
164.01070	3.0
165.01851	17.1
165.05499	1.3
166.02292	0.4
169.01335	1.9
173.02284	0.7
175.00290	4.9
176.01006	1.7
177.01837	0.4
178.99811	2.3
180.00542	0.7
181.05038	0.4
189.01891	0.7
190.02597	1.1
190.99771	0.9
201.01813	0.7
202.02686	2.4
202.99803	21.9
204.00267	1.1
206.99281	1.3
208.00070	13.3
209.00850	21.9
210.01268	0.8
217.01486	0.4
221.00830	0.3
229.01360	0.6
230.02187	2.0
231.52898	0.3
234.98146	0.4
245.00874	1.3
246.98811	100.0
247.99174	4.1
255.06647	0.4
259.99579	0.5
269.08105	0.6
270.08881	0.4
273.00562	0.4
274.01187	0.6
275.01822	0.5
281.04828	0.4
285.03928	0.4
297.07739	1.7
298.08490	0.5
299.05481	0.4
299.99069	0.5
300.99866	1.4
301.10986	0.3
302.00049	0.4
325.07147	0.4
329.10446	0.6
346.09723	0.3
357.09970	0.4
373.09293	0.7
401.08777	8.7
402.09134	0.9
433.11469	6.3
434.11783	0.6
445.07730	0.8
551.73242	0.4
794.80609	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
70.40845	0.8
75.08815	0.8
98.20692	1.0
107.01272	2.4
109.02792	0.9
121.02829	1.3
123.00771	1.6
125.02320	2.6
129.36679	0.9
132.72171	0.9
134.68939	0.8
145.02908	0.9
151.00270	8.0
163.00285	2.2
164.01013	0.9
169.01297	3.6
178.99742	3.9
187.03891	1.4
189.01834	1.8
211.04002	1.2
217.01555	0.8
226.02751	1.1
227.03465	1.6
229.01434	1.3
243.02977	7.2
245.00798	1.3
245.04614	0.9
247.01913	1.1
254.02179	2.2
255.02979	17.6
256.03293	1.5
257.01114	1.2
271.02457	36.9
272.02942	2.8
273.00397	2.2
273.04092	1.5
275.01862	3.5
283.02133	1.1
298.98425	0.9
300.02725	65.4
300.99866	7.6
301.03488	33.8
302.00317	2.0
302.03641	1.4
311.86584	1.0
360.56653	0.8
463.08835	100.0
464.09201	6.6
470.40659	0.9
751.06964	1.2
779.10175	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	13.7
72.99173	4.5
83.04897	5.2
85.02792	4.6
87.00754	5.5
88.47750	2.9
88.98698	2.7
89.02312	17.0
96.95879	7.0
97.02844	2.7
101.02334	14.0
111.08037	6.1
113.02305	6.9
114.98057	3.2
116.92731	20.0
119.03381	3.8
121.02825	4.3
125.02325	12.9
165.12762	3.6
169.01328	9.0
169.12201	3.7
170.54268	2.9
179.05537	6.2
191.03415	3.0
197.11732	38.5
209.11784	88.9
210.12100	4.5
211.13344	8.5
221.06763	3.4
227.12823	33.9
229.01271	4.2
229.36111	3.5
235.08200	4.0
274.00848	2.8
275.01907	7.3
291.19699	13.8
299.99042	12.2
300.99905	31.4
302.00253	6.1
305.08801	5.1
309.20718	100.0
310.21002	4.0
319.11685	3.5
353.32361	3.2
379.12592	6.1
391.04535	5.4
397.13501	53.2
415.14703	22.6
607.26331	6.3
707.34857	9.0
953.28516	30.1
953.47614	31.6
954.30927	7.7
954.47284	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	953.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03339	0.5
71.01243	0.5
71.57621	0.6
89.02363	0.3
95.01266	1.8
97.02845	0.5
106.61034	0.3
107.01294	1.1
107.04939	0.6
109.02883	0.4
111.00761	0.6
117.03345	1.2
118.31437	0.3
119.04942	0.7
121.02851	0.6
123.00777	4.0
124.01573	0.6
125.02341	9.0
126.02722	0.4
131.04947	0.7
132.36208	0.4
133.02856	1.1
135.04427	0.8
137.02327	0.8
139.00267	0.8
145.02866	2.9
147.00771	0.4
147.04437	1.5
149.02344	1.0
149.05940	0.5
151.00356	0.7
151.03862	0.4
157.02917	1.2
159.04474	3.2
161.02348	1.8
163.00258	1.0
163.03925	2.1
164.01038	0.8
165.01837	1.0
166.99734	0.9
167.44398	0.4
168.00516	0.5
168.25458	0.3
169.01352	12.4
169.02792	0.8
171.00739	0.6
171.04504	0.3
173.02353	2.9
174.03027	0.3
175.03964	3.0
176.01050	0.5
177.01944	2.0
177.05504	1.1
185.02371	2.8
187.00227	0.9
187.04007	1.9
189.01874	2.2
190.02661	1.3
191.03455	2.3
193.01306	1.1
199.00204	0.5
200.00955	0.3
201.01906	4.2
202.02325	0.6
203.03467	4.7
204.03998	0.4
205.01407	0.7
205.04994	2.6
213.01872	0.7
217.01419	3.3
218.01955	0.5
219.02942	1.4
221.04539	1.6
226.99829	1.1
228.00583	0.6
229.01396	5.7
229.64621	0.3
230.01834	0.8
231.02997	6.7
232.03372	0.5
237.00385	0.6
242.99358	1.1
243.99980	1.1
245.00923	5.2
246.01424	1.0
247.02533	4.5
249.04002	3.5
255.03040	0.5
257.00903	5.3
258.01599	0.8
261.00436	0.5
268.03073	0.4
270.98911	2.3
271.02078	0.4
271.99261	1.1
273.00449	6.4
274.01022	1.6
275.01993	10.3
276.02460	0.9
283.99643	2.4
285.42331	0.4
288.99823	0.8
291.01617	0.6
293.03076	2.1
298.98416	3.6
299.99084	5.6
300.02441	0.5
300.99905	100.0
302.00241	8.4
303.00494	1.9
316.99417	1.3
319.00854	1.1
337.02103	1.5
428.76688	0.4
437.07263	1.6
445.04242	0.5
463.04971	0.8
465.06342	1.6
600.72955	0.4
615.06134	0.7
617.08002	0.5
633.07263	0.6
721.85767	0.4
739.08649	0.5
749.06464	1.5
763.22040	0.4
765.05054	0.4
767.07727	1.7
771.87213	0.4
868.13171	0.4
909.10046	5.4
910.11072	0.7
917.07672	0.5
935.08057	2.2
936.08679	0.7
953.09656	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34216	13.9
89.00127	1.4
95.01251	8.6
97.02825	3.1
105.03378	1.9
107.01287	6.3
108.57336	1.4
111.00751	2.0
112.90134	1.4
117.03345	4.7
119.04917	2.6
123.00768	16.9
123.04512	1.7
124.01578	2.0
125.02338	39.6
133.02881	7.0
137.02379	1.9
143.01332	2.6
145.02864	13.9
147.04451	3.4
149.02339	2.3
151.04002	1.6
157.02850	3.9
159.04474	2.0
160.01627	2.3
161.02347	10.9
163.00243	3.6
163.03973	5.9
165.01785	2.1
166.99789	6.5
168.00578	5.0
169.01346	41.6
171.00797	6.4
172.01608	2.2
173.02382	14.2
174.02997	1.9
175.03926	3.3
177.01840	3.4
185.02417	3.7
187.00209	2.8
189.01872	17.0
190.02655	3.3
191.03406	9.8
194.99336	1.7
199.00366	4.1
200.01036	4.1
201.01918	15.3
203.03442	5.0
209.00841	1.8
214.99893	2.5
216.00621	3.3
217.01363	24.1
219.02898	3.6
226.99776	6.4
227.03444	2.1
228.00569	3.5
229.01390	19.8
230.02121	2.3
231.02925	9.1
233.00842	2.3
242.99333	7.4
244.00133	3.3
245.00905	42.2
246.01353	2.8
247.02492	27.5
254.99338	1.8
255.02974	2.0
257.00928	6.2
261.00369	4.2
267.02835	2.4
270.31290	1.5
270.98904	16.2
271.01913	2.6
271.99603	2.4
273.00403	85.7
274.00955	6.4
275.01947	17.3
281.04529	1.5
283.02496	3.0
283.99789	1.8
289.00232	1.6
291.01511	5.9
295.04727	3.2
298.98380	30.1
299.01578	2.7
299.99109	17.0
300.02295	2.7
300.99896	100.0
302.00308	8.0
313.05533	2.3
316.99344	16.6
317.02597	2.1
321.04190	2.5
327.01563	1.9
343.00790	3.0
447.05856	2.3
465.06677	8.1
551.05182	2.2
553.06360	2.9
579.04236	2.5
615.06531	3.6
617.07770	22.2
618.08203	3.5
692.35345	1.7
701.40448	1.6
723.08612	1.6
739.07971	2.1
747.04803	4.4
749.06244	30.8
750.06750	5.5
765.05499	5.0
767.07495	30.4
768.07892	5.1
916.90649	2.5
917.06995	26.9
918.08417	3.4
935.07745	16.5
936.08258	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	953.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
70.30330	0.5
72.41439	0.6
75.56790	0.5
83.47081	0.6
88.40154	0.5
95.01255	1.1
98.19798	1.9
105.03322	0.6
109.02841	1.2
111.00724	0.7
119.04920	1.3
121.02866	1.4
123.00771	2.3
124.01595	0.7
125.02336	5.3
131.04918	1.4
133.02869	0.8
133.06491	0.7
137.02357	2.8
145.02858	2.7
147.04413	2.7
149.02339	4.3
149.05949	1.6
151.78545	0.6
157.02837	0.8
158.03566	0.5
159.00777	0.6
159.04449	3.8
161.02312	1.9
161.05986	1.8
163.00215	1.0
163.03937	2.6
164.01027	0.7
165.01845	1.9
169.01355	4.8
171.53317	0.5
173.02379	2.1
175.03922	8.0
177.01872	3.0
177.05441	2.6
185.02386	2.8
187.03929	2.3
189.01959	1.1
190.02635	2.1
190.99792	2.4
191.03384	2.7
193.01341	7.0
193.05006	0.8
201.01947	3.8
203.03439	13.3
204.03851	0.6
205.01471	2.8
205.05023	10.1
206.05211	0.7
213.01852	1.3
216.00566	0.7
217.01335	1.6
218.99341	1.4
219.02928	1.6
221.04439	4.2
229.01392	6.3
229.65025	0.6
230.02048	0.6
230.07599	0.6
231.02995	7.9
237.00388	3.0
241.01506	0.6
244.00079	0.9
245.00888	3.1
247.02425	4.4
249.03978	4.3
257.00974	3.8
258.01505	1.1
265.03522	0.8
270.98737	0.8
273.00394	2.9
274.01132	1.7
275.01981	20.2
276.02237	1.1
283.99619	2.3
291.01752	0.7
291.05170	0.9
293.03000	4.8
298.98431	0.7
299.99152	4.1
300.99890	100.0
302.00204	7.4
318.65320	0.5
319.00842	4.6
337.02054	5.0
367.10770	0.6
381.04666	0.6
437.07303	0.6
463.05112	2.6
481.06384	2.1
499.07315	0.6
615.06158	1.6
633.07233	1.9
705.80066	0.7
783.07642	1.2
801.07111	0.8
935.07434	0.9
953.08813	6.3
954.08929	1.1
969.30157	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01258	13.7
75.65947	1.4
83.01240	1.5
85.02824	4.1
87.00764	4.4
89.02319	13.8
97.02841	2.1
98.20567	2.7
101.02317	10.4
103.99130	1.6
113.02334	5.8
119.03381	4.6
125.02338	5.8
143.03362	2.7
161.04430	2.9
179.05518	2.8
195.13849	4.0
223.13416	2.7
235.08214	5.2
253.09416	1.5
256.12927	1.7
275.20203	4.2
277.21710	45.4
278.22092	3.0
287.07809	1.8
293.21210	100.0
294.21594	5.3
301.00073	1.6
305.08704	2.1
379.12610	3.7
397.13507	36.4
398.13873	1.9
415.14627	10.5
469.24408	1.7
583.62500	1.4
711.69574	1.5
886.85419	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	951.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
66.82825	0.3
71.34467	0.6
95.01267	1.3
105.03300	0.3
109.84621	0.3
117.03339	1.3
119.04919	0.6
121.02854	0.4
123.00753	3.2
125.02357	2.1
129.76047	0.3
133.02866	1.4
137.02377	0.4
139.00293	0.4
145.02856	3.7
146.91249	0.4
147.00778	0.6
147.04425	1.3
157.02859	1.0
159.00792	0.5
159.04463	0.4
160.01512	0.4
161.02342	2.5
163.00247	0.7
163.03882	1.7
165.01953	0.4
166.99681	1.6
169.01358	2.2
171.00803	0.9
172.01556	0.4
173.02365	3.4
174.03047	0.5
174.92815	0.3
175.03893	2.0
175.52916	0.3
177.01820	1.4
179.03357	0.5
185.02356	2.4
187.00298	1.3
187.03899	0.6
188.01208	0.6
189.01868	4.4
190.02609	1.0
191.03401	2.7
193.01213	0.5
199.00256	1.1
200.01080	0.5
201.01872	3.8
202.99626	0.4
203.03491	1.9
204.49924	0.4
205.01387	0.4
213.01862	0.4
214.99741	1.8
216.00575	1.3
217.01385	6.0
218.02043	0.6
219.02963	1.1
226.99875	1.3
227.03690	0.4
228.00600	0.8
229.01404	7.7
230.02112	0.7
230.99307	0.5
231.02989	2.2
233.00844	0.6
242.99330	3.8
244.00047	1.4
245.00896	10.8
246.01329	0.8
247.02454	4.9
248.03212	0.4
249.04007	2.1
257.00876	4.5
258.01538	0.8
261.00427	1.5
263.01770	0.4
267.03003	0.4
270.98856	13.2
271.99442	1.2
273.00406	17.4
274.01056	1.7
275.01956	10.4
276.02628	0.4
283.99643	2.3
286.98306	0.4
288.99814	0.5
291.01495	1.3
298.98346	15.5
299.99075	7.8
300.02158	0.3
300.99893	100.0
302.00238	5.1
313.00064	0.6
315.01712	0.4
316.99405	1.5
343.00934	0.8
417.04504	0.4
433.04169	1.0
443.02402	0.9
445.04147	2.0
461.03720	2.3
463.05148	3.0
613.04865	0.9
615.06287	0.5
651.85754	0.4
763.04523	0.5
765.05939	1.0
897.03845	0.4
915.04272	0.7
933.06409	5.9
934.06659	1.4
951.07660	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01243	0.5
83.01212	0.4
85.53474	0.3
91.01796	0.7
95.01255	1.0
98.19732	0.6
99.00777	0.4
103.67158	0.3
107.01276	0.7
109.02844	1.0
116.57660	0.3
117.03327	0.7
118.32300	0.3
119.01305	0.4
121.02813	0.8
123.00786	1.2
124.31232	0.3
125.02341	4.9
129.03285	0.5
133.02863	0.8
135.00806	0.5
135.04454	1.0
137.02373	2.5
145.02850	2.3
147.00778	1.8
147.04436	1.1
149.02295	1.0
157.02832	1.3
159.04405	0.5
161.02411	1.6
163.00288	5.8
163.03894	1.3
164.01018	0.6
165.01871	4.1
169.01332	9.1
169.02765	0.6
173.02399	2.5
174.02934	0.4
175.00287	0.8
175.03905	1.5
177.01865	2.5
185.02431	2.3
187.00319	0.5
189.01900	2.4
190.02594	0.7
190.99828	1.8
191.03455	2.3
201.01842	3.0
202.99841	1.1
203.03442	1.8
206.99420	0.5
208.00114	0.8
209.00848	5.6
213.01907	0.7
214.99814	0.8
216.00519	0.4
217.01347	3.3
217.05032	0.4
219.02954	1.0
221.00877	0.5
226.99811	0.6
227.03380	0.7
228.00552	0.4
229.01379	5.8
231.02899	1.1
242.99358	0.7
244.00023	0.8
245.00864	5.4
246.98816	1.5
247.02466	3.1
248.03130	0.4
249.04012	1.9
254.99355	0.7
255.03139	0.4
257.00867	4.0
259.02377	0.5
261.00528	0.4
270.98822	3.5
273.00403	6.7
274.00998	0.7
275.02026	6.8
276.02188	0.5
283.99585	2.5
291.01477	1.1
298.98315	3.2
299.99072	4.8
300.02362	0.7
300.99893	100.0
302.00211	5.1
333.42792	0.4
352.00076	0.4
353.05222	0.6
391.03116	1.0
435.05728	4.6
453.06711	0.8
479.04501	0.7
524.69891	0.4
605.07709	0.6
697.07037	0.6
737.06586	0.7
834.01837	0.4
863.05981	0.6
907.08276	2.5
923.36450	0.5
933.06909	0.8
951.07446	2.3
952.07727	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40779	2.4
69.41204	2.0
82.52547	0.5
89.03859	0.9
93.16253	0.5
95.01256	1.5
98.19794	0.9
104.03201	0.5
107.01243	0.7
117.03329	2.1
119.04950	0.9
119.33756	0.5
123.00776	2.6
125.02349	2.9
133.02866	2.7
145.02856	6.5
147.04405	2.0
149.02304	0.6
157.02858	1.7
159.00757	0.9
159.04343	0.7
160.01631	0.9
161.02344	4.3
163.00394	0.7
163.03920	2.8
166.99762	1.3
169.01364	2.4
171.00772	1.8
173.02374	5.5
174.02937	0.4
174.62781	0.4
175.03894	1.8
177.01831	1.9
179.03368	0.7
185.02393	4.0
187.00211	2.3
189.01849	6.1
190.02614	1.4
191.03487	3.0
197.02286	0.5
199.00279	0.9
200.01178	1.1
201.01874	5.4
202.99767	0.6
203.03479	2.9
213.01892	0.8
214.99779	2.4
216.00505	1.4
217.01379	8.6
218.02036	0.7
219.02893	1.2
226.99825	1.9
228.00598	1.0
229.01390	8.9
231.03026	2.3
242.99290	5.3
244.00043	2.0
245.00883	12.1
246.01433	1.0
247.02420	5.0
249.03998	2.0
254.99176	0.6
257.00867	5.0
258.01608	1.8
261.00409	1.7
270.98859	13.7
271.99408	1.3
273.00424	16.7
274.01038	2.3
275.01984	9.9
283.99609	3.8
291.01373	1.1
298.98346	15.7
299.01807	0.8
299.99115	9.6
300.99896	100.0
302.00211	6.1
304.02090	0.5
315.01419	0.6
316.99393	1.9
343.01080	0.8
383.76746	0.6
433.04068	1.1
445.04175	1.6
461.03601	2.3
463.05173	2.5
613.04614	0.6
765.05609	1.5
933.06543	6.7
934.06586	1.4
951.08752	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58039	0.7
85.02845	0.5
87.00774	0.4
95.01264	1.1
95.04916	0.5
105.03334	1.3
107.01267	0.8
109.02779	0.4
111.00724	0.4
117.03345	1.4
119.01308	0.4
119.04910	2.0
121.02826	1.0
123.00735	1.7
123.04400	0.4
125.02349	4.7
129.03354	0.4
131.04912	1.4
132.02060	0.5
132.38718	0.4
133.02907	1.7
135.04437	1.1
136.10919	0.3
137.02367	0.9
145.02847	3.9
146.03636	0.4
147.00754	0.5
147.04440	5.1
148.01602	0.5
149.02322	1.1
149.05930	0.9
151.00261	0.6
151.03882	0.8
157.02869	1.4
158.03716	0.5
159.04408	3.4
159.69765	0.4
160.01523	1.2
161.02356	6.1
162.03011	0.4
163.00270	0.8
163.03954	2.2
165.01884	0.5
166.99730	0.5
169.01326	6.5
170.01796	0.4
171.00793	0.6
173.02338	4.2
174.03065	1.0
175.00226	0.4
175.03934	11.2
176.01077	0.9
177.01875	3.1
177.05496	1.7
179.03355	0.5
183.02934	0.4
185.02367	2.6
187.03856	0.4
188.01089	0.6
189.01906	2.3
190.02638	0.6
190.99832	0.5
191.03458	3.8
199.00320	0.7
200.01057	0.5
201.01877	7.9
202.02458	0.8
203.03439	16.6
205.01433	0.8
209.00993	0.4
213.01881	0.7
214.99748	0.8
216.00555	0.5
217.01357	3.3
218.02017	0.5
219.02951	7.0
220.03308	0.4
221.00922	0.5
221.04475	1.0
226.99843	0.9
227.03418	0.7
229.01376	10.4
230.02016	0.8
231.02928	1.3
242.99294	1.6
244.00047	0.7
245.00885	9.0
246.01469	0.7
247.02455	17.0
248.03018	0.7
249.03989	2.4
255.03015	0.7
257.00848	3.4
258.01587	1.3
261.00397	1.0
270.98923	3.4
271.01935	0.5
271.99350	0.5
273.00409	8.4
274.01065	1.4
275.01956	7.6
276.02432	0.4
283.99686	2.7
285.00577	0.6
285.04144	1.8
291.01477	3.9
293.56921	0.4
298.98361	4.0
299.99084	4.7
300.99896	100.0
302.00266	5.0
313.05984	0.6
316.99442	1.2
335.00458	7.3
343.00888	0.4
369.28571	0.4
396.25858	0.4
417.04608	0.5
435.05591	1.0
445.04132	0.7
447.09470	0.8
453.06821	0.5
461.03619	0.6
463.05222	1.2
479.04648	5.2
480.04892	0.5
497.05743	1.0
587.06531	0.5
615.05859	0.8
633.07788	0.4
649.06586	0.8
737.06158	0.6
904.88025	0.4
907.08478	1.1
933.06427	1.3
951.07751	4.6
952.08350	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29352	1.8
69.29781	2.0
72.96629	0.3
75.69180	0.4
83.57190	0.4
93.43381	0.3
95.01295	0.8
95.05030	0.4
107.01287	0.4
117.03342	1.1
119.04965	0.6
123.00771	2.4
125.02351	2.1
129.03360	0.4
133.02853	1.1
137.02364	0.5
145.02864	3.4
147.00743	0.5
147.04446	1.1
149.02315	0.8
157.02805	0.8
159.04393	0.7
160.01553	0.5
161.02405	2.9
163.00278	0.6
163.03918	1.8
166.99805	1.3
169.01299	2.8
171.00822	0.9
173.02370	4.3
174.02979	0.4
175.03908	1.5
177.01846	1.1
185.02382	2.7
187.00259	1.2
188.01100	0.5
189.01837	3.2
190.02635	0.8
191.03427	2.4
199.00146	0.6
200.01097	0.6
201.01900	3.2
202.02280	0.4
203.03433	2.7
205.01338	0.8
205.04845	0.4
213.01889	0.8
214.99802	1.7
216.00555	0.8
217.01375	5.1
218.02113	0.6
219.02948	1.3
226.99783	1.3
228.00789	0.6
229.01381	5.3
230.01826	0.5
231.02965	2.1
232.03096	0.4
242.99345	3.0
244.00122	1.0
245.00883	8.4
246.01338	0.5
247.02461	4.9
248.03165	0.9
249.04083	2.4
254.99284	0.7
257.00858	4.1
258.01633	0.8
261.00378	1.0
263.01920	0.5
270.98849	10.8
271.99442	1.2
273.00412	18.5
274.00958	1.8
275.02002	9.8
276.02365	0.6
283.99588	1.8
286.98206	0.4
288.99985	0.8
291.01505	1.1
298.98343	18.6
299.99030	7.2
300.99890	100.0
302.00220	5.3
315.01529	0.7
316.99414	2.5
319.00882	0.7
337.01834	0.5
343.01178	0.6
417.04639	0.8
419.06345	0.5
433.04031	1.0
443.02798	1.3
445.04169	1.9
461.03571	2.8
463.05200	3.9
479.05060	0.5
613.04834	1.3
615.05994	0.6
747.05084	0.6
765.05969	1.7
829.80408	0.4
900.90082	0.5
915.05951	1.4
933.06342	10.2
934.07251	1.7
951.08185	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01259	0.3
80.92159	0.2
93.03341	0.2
95.01254	1.1
95.04922	0.3
101.03853	0.3
101.38047	0.3
103.01807	0.3
105.03342	0.6
107.01244	0.4
115.01794	0.2
117.02583	0.4
117.03320	2.0
117.64373	0.3
119.01308	0.4
119.04910	0.8
121.02875	0.5
123.00787	2.5
124.01527	0.4
125.02341	2.7
129.03371	0.6
131.01317	0.4
132.02078	0.4
133.02827	2.0
135.04402	0.6
143.01282	0.5
145.02852	5.2
147.00760	0.6
147.04446	1.4
149.02345	0.6
157.02888	1.4
158.03479	0.3
159.00766	0.4
159.04393	0.5
160.01546	0.5
161.02357	3.4
163.00305	0.5
163.03902	2.3
164.01083	0.4
166.99771	1.2
169.01320	2.7
171.00821	1.1
172.01584	0.3
173.02361	5.9
174.02982	0.3
175.00372	0.5
175.03941	2.1
176.01033	0.4
177.01869	1.9
179.03444	0.5
185.02379	3.0
187.00215	1.3
187.03865	0.5
188.00957	0.4
189.01859	5.2
190.02591	1.5
191.03419	3.7
193.01204	0.4
199.00325	0.8
200.01091	0.9
201.01849	5.2
202.02478	0.4
203.03468	3.2
205.01355	1.0
207.02968	0.4
213.01759	0.7
214.99763	2.1
216.00555	1.1
217.01364	7.4
218.02010	0.8
219.02907	1.9
221.04608	0.3
226.99866	1.4
227.03381	0.4
228.00638	0.8
229.01366	8.7
230.01912	0.7
230.24873	0.4
231.02945	1.5
233.00798	0.7
235.02367	0.3
241.01418	0.3
242.99332	4.2
243.03069	0.4
244.00041	1.4
245.00887	11.5
245.03479	0.5
246.01480	0.8
247.02415	6.0
247.04756	0.5
248.03067	0.4
249.04068	1.7
254.99306	0.6
255.03261	0.3
255.99916	0.4
257.00903	4.3
258.01581	1.0
259.02469	0.5
261.00397	1.4
263.01837	0.4
269.00806	0.5
270.98828	12.1
271.99359	1.0
273.00400	17.1
274.01053	2.4
275.01971	10.2
281.04407	0.4
283.02451	0.4
283.99667	2.9
285.00317	0.4
288.99884	0.6
291.01654	1.5
297.00394	0.3
298.98340	14.4
299.99091	8.7
300.02563	0.3
300.99884	100.0
302.00204	4.7
312.99939	0.4
315.01477	0.8
316.99457	1.5
338.73175	0.3
340.99353	0.3
343.01050	0.7
383.03949	0.4
417.04047	0.4
424.07068	0.3
433.03989	1.1
435.05750	0.8
435.61954	0.3
443.02521	1.0
445.04224	1.8
461.03561	3.0
463.05231	3.0
464.05362	0.4
613.04767	1.0
615.06567	0.7
729.03979	0.4
747.04749	0.3
763.05237	0.4
765.06042	1.4
907.07007	0.5
915.05615	0.8
933.06390	9.3
934.07074	1.1
951.07617	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61691	3.6
92.73692	0.6
95.01256	0.7
101.03862	0.6
109.90328	0.6
117.03364	1.6
119.04906	0.6
121.23943	0.6
123.00751	2.0
125.02329	1.5
133.02866	1.4
145.02853	3.8
147.04375	1.3
157.02826	1.0
159.00731	0.7
159.04414	0.8
161.02354	2.9
163.03905	1.6
165.01805	0.6
166.99797	1.6
169.01306	3.0
173.02332	4.4
175.03952	1.6
177.01889	0.9
182.60779	0.5
185.02385	2.4
187.00316	0.9
189.00360	0.8
189.01799	3.8
190.99654	0.6
191.03430	2.5
200.01036	0.7
201.01874	3.5
203.03455	2.0
206.62529	0.6
213.02077	0.6
214.99864	1.4
216.00661	1.2
217.01361	4.3
219.02954	1.0
226.99704	0.7
228.00568	0.6
229.01375	5.7
231.02901	1.2
242.99303	3.4
243.99994	0.8
245.00879	8.5
246.01277	1.0
247.02467	4.4
249.04071	1.3
257.00897	3.4
261.00400	0.8
270.98871	7.2
271.99295	1.3
273.00388	18.1
274.00876	1.9
275.02005	8.4
283.99600	2.1
286.89850	0.7
291.01440	1.6
298.98349	18.6
299.99118	6.6
300.99896	100.0
302.00223	5.8
315.01459	0.7
316.99420	3.1
319.00763	0.9
343.01019	0.9
417.04517	0.9
433.04041	1.2
435.06287	0.7
443.02786	0.9
445.04202	3.8
461.03619	4.3
463.05298	4.5
476.97488	0.7
590.95209	0.7
613.04663	1.6
729.03381	0.7
736.45447	0.8
736.58453	0.6
765.05823	2.0
915.05853	0.9
933.06177	11.2
934.07275	2.8
951.07117	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
95.01247	1.7
98.20564	1.3
104.82498	0.4
105.03278	0.4
107.59346	0.5
117.03353	1.9
119.04948	0.8
119.77771	0.4
123.00753	2.7
125.02338	3.1
126.38782	0.4
129.03337	1.0
131.01338	0.6
132.02103	0.5
133.02844	1.8
135.04411	0.6
145.02847	6.0
147.00769	0.8
147.04437	2.2
149.02284	0.5
157.02861	1.6
159.00743	0.8
159.04411	1.3
160.01567	0.6
161.02328	3.9
163.03947	3.4
165.01753	0.5
166.99850	1.1
169.01360	1.9
171.00793	1.0
173.02361	5.2
174.03067	0.8
175.03931	2.3
177.01851	1.7
179.03442	0.5
185.02396	3.4
187.00302	2.4
188.01106	0.6
189.01886	5.8
190.02597	1.9
191.03444	4.6
193.01305	0.5
199.00342	1.1
200.01093	0.7
201.01875	6.2
202.02525	0.5
203.03467	3.3
205.01366	1.2
205.04909	0.7
213.01962	0.8
214.99809	2.2
216.00563	2.0
217.01375	9.1
218.01953	0.8
219.02950	1.6
226.99789	2.2
227.03369	0.8
228.00577	1.0
229.01375	10.1
229.03607	0.5
230.02002	1.0
231.02997	3.3
233.00832	0.9
242.99335	4.9
244.00063	2.0
245.00894	15.0
246.01550	1.0
247.02400	5.5
249.03996	1.8
254.99306	0.5
257.00919	5.6
258.01569	1.5
261.00354	1.2
270.98853	16.7
271.99356	1.6
273.00418	14.3
274.01007	1.8
275.01999	12.0
276.02335	0.9
282.98529	0.5
283.99640	2.9
285.00296	0.7
291.01367	1.0
298.98328	14.5
299.99094	10.1
300.99899	100.0
302.00241	6.5
312.99826	0.7
315.01477	0.9
316.99380	1.4
343.01068	0.8
443.02487	0.7
445.04034	1.6
461.03683	1.5
463.04895	2.1
613.04681	0.8
765.05463	0.9
915.05823	0.7
933.06201	5.2
934.07013	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65147	3.4
69.65569	1.1
86.47807	0.5
95.01260	1.4
95.62553	0.5
117.03352	1.3
123.00743	2.9
125.02348	2.2
133.02870	1.2
145.02841	4.4
147.04413	1.6
159.04430	1.2
160.01631	0.8
161.02289	2.8
163.00372	0.6
163.03896	1.9
166.99722	0.8
169.01349	1.7
171.00899	0.8
173.02301	2.9
175.00220	0.5
175.03929	2.0
177.01855	1.5
185.02364	2.2
187.00237	1.5
189.01852	4.5
190.02509	0.7
191.03435	2.2
201.01852	4.7
203.03448	2.5
205.01398	1.0
214.99828	1.9
216.00592	1.3
217.01382	6.9
219.02950	1.7
226.99832	0.9
229.01387	5.7
230.02071	0.8
231.03000	1.1
242.99327	3.7
243.99982	1.6
245.00909	11.1
246.01424	0.6
247.02547	4.5
247.19577	0.5
249.04034	2.3
254.99338	0.5
257.00858	3.1
257.58698	0.6
261.00275	1.1
270.98819	12.1
271.99405	1.5
273.00415	18.8
273.03369	1.3
274.01083	1.8
275.01981	10.8
276.02264	0.7
283.99680	2.1
286.98648	0.7
291.01477	1.3
298.98331	16.8
299.99048	9.6
300.99896	100.0
302.00275	4.5
316.99420	2.1
343.01398	0.8
433.04175	0.9
443.02762	0.6
445.04129	1.3
461.03525	2.1
463.05283	3.9
498.42859	0.7
719.32086	0.8
765.05908	1.3
798.10449	0.6
871.28510	0.6
915.05469	0.9
933.06390	8.8
934.06665	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
95.01268	0.9
98.59840	0.5
107.01263	0.5
117.03362	0.7
119.04931	0.6
123.00763	1.5
125.02358	1.4
133.02800	0.9
134.98764	0.4
145.02882	2.4
147.04442	1.1
157.02881	0.4
161.02371	2.1
163.03874	1.1
165.01907	0.5
166.99773	2.1
169.01338	3.0
169.02563	0.6
171.00766	0.7
173.02379	3.4
181.91702	0.4
185.02356	1.5
187.00281	0.9
189.01797	2.6
191.03455	1.6
201.01836	2.8
203.03476	1.0
205.01314	0.5
214.99823	1.6
216.00410	0.9
217.01392	4.0
218.02031	0.6
219.02899	1.1
226.99881	0.8
229.01427	5.8
230.01768	0.5
231.03027	1.4
242.99326	2.2
244.00215	0.5
245.00894	7.7
246.00928	0.6
247.02435	4.3
249.04018	1.4
254.99397	0.9
257.00821	3.1
258.01584	0.8
261.00354	1.6
270.98837	7.7
271.99332	1.0
273.00394	19.5
274.00946	2.0
275.01984	9.9
283.99677	1.6
291.01474	1.3
298.98328	19.2
299.99011	6.8
300.99896	100.0
302.00269	4.8
316.99365	3.1
319.01080	0.7
343.00940	1.1
417.04205	0.7
433.04086	1.4
435.05887	0.8
443.02692	1.2
445.04080	3.0
461.03708	4.0
462.04126	0.8
463.05167	5.4
613.04846	1.4
615.06305	0.9
745.03235	0.7
763.04126	0.7
765.06018	2.1
779.12592	0.5
915.05359	1.8
933.06378	14.5
934.06116	2.3
951.07660	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
66.55885	0.5
70.84728	1.4
86.79951	0.5
95.01257	1.7
117.03354	2.0
119.04912	1.4
121.02867	0.6
123.00745	1.1
125.02322	2.8
129.03360	0.7
133.02824	1.6
143.01341	0.6
145.02873	5.8
147.04416	2.0
147.09521	0.5
149.02332	0.6
157.02859	1.6
159.00731	0.7
159.04388	0.7
161.02344	4.2
163.00346	0.6
163.03926	4.2
166.99812	1.6
169.01340	3.0
171.00853	1.4
172.01387	0.5
173.02348	5.8
175.00212	0.5
175.03922	1.7
177.01816	1.5
179.03433	0.9
185.02362	3.7
187.00308	1.7
188.01031	0.7
189.01891	6.4
190.02573	1.9
191.03435	2.7
199.00363	1.1
200.01001	1.1
201.01855	6.4
202.02443	0.6
203.03386	2.8
205.01311	1.2
213.01797	0.6
214.99750	2.7
216.00522	1.6
217.01373	6.3
218.02092	1.1
219.02867	1.5
226.99889	0.9
228.00658	0.8
229.01366	9.4
230.01930	1.1
231.02925	2.2
233.00713	0.5
242.99327	4.8
244.00075	1.4
245.00868	9.7
246.01306	1.3
247.02481	4.7
249.04010	1.4
254.99355	1.1
257.00876	5.5
258.01569	1.4
261.00381	1.3
270.98846	11.2
271.99414	0.9
273.00397	16.6
274.00964	1.6
275.01974	8.9
283.99649	3.8
285.00107	0.6
288.99872	0.6
291.01456	1.8
293.05002	0.5
298.98358	16.2
299.99115	9.2
300.99887	100.0
302.00214	5.6
313.91080	0.6
316.99429	2.5
389.05023	0.7
417.04453	0.6
419.06369	0.5
433.03983	0.6
435.05542	0.7
443.02405	0.9
445.03894	3.8
461.03540	3.3
463.05051	3.8
543.20526	0.5
613.04370	1.4
615.06726	0.7
653.08716	0.5
689.09839	0.5
763.04504	0.8
765.06183	1.6
854.00934	0.5
897.04004	0.8
915.05994	1.2
933.06396	12.7
934.07123	1.5
951.07697	1.1
953.08417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.503
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03344	2.3
71.01255	14.3
71.04905	0.5
71.57475	0.5
72.99188	1.2
73.02818	2.4
75.00736	0.6
75.02673	0.5
78.95781	0.9
79.95609	1.0
80.02567	1.1
81.03316	2.0
83.01266	1.9
83.04904	4.7
84.02032	2.6
85.02824	2.8
86.41422	0.4
87.00756	3.1
89.02320	10.9
89.02837	0.9
95.01259	1.2
95.04907	1.3
96.95889	16.8
96.96820	1.0
97.02824	2.8
97.06465	6.2
99.00761	1.2
99.04385	0.7
101.02325	9.6
107.01275	1.3
107.04881	0.4
109.06474	1.4
111.00755	0.6
111.08022	0.6
113.02325	5.5
119.03374	2.7
123.00827	0.6
125.02346	7.0
125.05979	0.8
125.09599	1.3
128.90042	1.4
129.01834	0.4
134.39497	0.4
135.08011	1.0
136.20503	0.4
136.71118	0.4
137.09639	0.8
137.10646	0.4
143.03394	1.6
155.10632	0.6
161.04398	2.5
163.11206	4.6
165.12781	2.3
169.01343	3.4
171.10187	10.9
172.10602	0.5
173.49796	0.4
174.65201	0.4
175.11139	0.5
177.02034	0.5
179.05554	3.7
181.12256	0.6
185.11667	0.9
191.10713	0.8
193.12285	8.2
197.11784	1.3
199.13358	0.5
201.11227	1.7
207.10219	1.3
209.11774	66.9
210.12105	2.2
211.13339	3.6
221.06613	1.2
221.11755	0.6
223.09653	0.8
225.11249	1.3
225.14923	11.1
227.12827	8.3
229.01164	0.5
235.08200	2.9
243.15959	5.2
253.09300	0.7
253.14403	1.0
254.15947	0.6
270.98895	1.2
273.00375	1.4
273.18643	0.5
275.02057	0.6
285.43488	0.4
287.07666	1.2
291.19424	1.1
298.98380	1.6
299.98810	0.5
300.99973	2.8
302.00275	0.7
305.08804	0.8
305.20914	0.4
323.09799	0.7
323.22406	0.9
325.20197	3.0
327.21429	2.0
341.23312	100.0
342.23615	5.9
379.12424	1.9
397.13507	27.3
398.13757	1.3
415.14615	12.0
416.14221	0.5
452.03525	0.6
533.34955	1.9
555.04218	0.5
589.24854	0.6
607.26367	1.9
610.57581	0.5
623.25494	0.5
721.36914	0.7
739.37573	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	948.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00125	40.4
71.00477	35.5
71.01243	23.7
85.24963	19.3
89.02290	22.0
110.93314	21.0
125.02353	26.4
169.01294	30.6
191.05487	25.6
209.11745	100.0
210.12071	64.0
219.79625	22.7
235.08186	21.5
277.21649	75.1
278.21924	45.6
300.99796	65.1
328.43207	21.1
390.01205	22.9
397.13629	43.5
687.58557	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	949.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	1.9
70.44337	2.2
71.01255	12.4
72.99164	1.3
73.02808	2.2
75.00758	0.7
78.95776	1.9
79.95601	0.6
80.02556	1.2
81.03329	1.8
81.21663	0.5
83.01239	2.0
83.04897	4.8
84.02045	1.9
85.02830	3.1
87.00763	2.3
89.02322	10.6
89.26782	0.5
94.02219	0.6
95.01268	0.9
95.04911	0.8
96.95894	26.5
96.96867	1.3
97.02815	2.2
97.06468	6.3
99.04375	1.2
99.92402	0.8
101.02331	7.2
107.01284	1.5
107.91807	0.5
113.02348	3.6
116.92765	6.6
119.03381	3.5
123.00752	0.9
125.02358	6.2
125.05965	1.0
125.09625	2.4
127.11176	0.6
128.90059	0.7
135.08057	0.9
137.02248	0.7
137.09608	0.9
143.03421	1.0
144.48647	0.6
149.13213	0.7
161.04474	1.8
163.11249	2.6
165.12775	2.0
169.01331	4.4
171.10185	6.5
179.05591	3.2
180.05800	0.6
185.11719	0.7
191.10622	0.8
193.12276	8.1
197.11845	0.7
197.15541	0.8
207.10190	0.8
209.11775	62.3
210.12151	2.3
211.13315	2.9
221.06650	1.1
221.11765	1.0
225.11392	0.9
225.14908	14.0
226.15190	1.3
227.10686	0.9
227.12840	7.1
235.08197	3.6
243.15987	5.3
245.00957	0.7
253.14418	1.2
270.98944	0.7
271.02789	0.7
273.00388	1.6
287.07544	0.7
289.17993	0.7
291.19632	0.9
298.98236	1.9
299.98981	1.1
300.99954	4.2
305.08774	0.9
323.22437	0.9
325.20093	1.1
327.21701	1.1
341.23315	100.0
342.23651	6.3
379.12585	1.5
397.13501	24.6
398.13940	1.0
415.14563	10.5
416.14804	0.7
452.02826	0.7
533.34668	2.1
607.26300	1.0
721.36749	1.3
739.37775	1.6
948.92004	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51271	12.0
69.55353	22.3
69.55766	71.0
71.01266	23.0
89.02325	27.1
98.20525	22.8
101.02334	14.8
113.02361	12.4
125.02390	20.6
144.65851	14.1
153.58295	13.3
169.01276	21.7
169.67882	12.8
195.78094	13.7
209.11772	100.0
210.12059	27.7
277.21747	39.6
278.22070	21.9
300.99933	23.2
397.13403	29.1
398.13690	13.8
979.39764	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	947.6103
Annotation	Unknow
Peak:m/z	Relative Intensity
68.70502	0.6
71.01250	4.3
73.02817	1.1
80.20855	0.6
81.03316	0.9
83.01273	0.7
83.04898	1.4
85.02811	1.0
87.00758	1.4
89.02335	1.8
96.71577	0.6
97.02807	3.7
98.19764	1.5
99.00749	0.8
101.02303	4.8
109.06479	14.0
110.03625	0.6
113.02322	2.3
119.03411	0.6
121.06435	1.0
135.08044	1.9
136.05199	0.9
142.02682	1.1
145.04948	0.8
161.04463	2.0
161.09598	0.8
163.11195	8.6
181.12274	1.8
189.09149	2.2
207.10202	50.5
208.10600	2.3
209.11766	1.5
215.29079	0.6
225.11263	16.6
225.18527	17.1
226.18893	1.0
235.08191	6.7
253.09265	8.6
277.21719	100.0
278.22104	6.3
325.43307	0.7
339.19748	0.7
397.13062	0.9
443.18976	3.6
461.20401	3.9
473.00537	0.7
513.30829	1.2
703.40637	1.5
721.41699	37.9
722.41907	4.4
722.95886	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5226
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03332	1.7
71.01250	17.4
71.57275	1.5
72.99171	1.4
73.02796	2.1
75.11593	1.1
83.01271	1.5
83.04910	1.3
85.02827	3.3
87.00748	4.2
89.02316	12.6
93.25478	0.9
95.01250	2.0
97.02846	2.1
97.86155	0.8
99.00784	1.2
101.02332	13.0
113.02334	7.0
116.92779	1.2
119.03422	3.5
125.02366	7.1
143.03427	2.0
153.12727	1.8
161.04506	2.8
169.12233	7.9
179.05569	4.0
179.10788	1.0
197.11769	100.0
198.12138	3.3
209.11739	1.8
211.13400	1.5
213.96750	0.9
221.06558	1.6
235.08105	4.2
277.21725	48.7
278.22064	4.2
285.30548	0.9
287.07858	1.8
300.99832	2.0
305.08792	2.1
323.09860	1.8
379.12448	11.3
397.13525	36.7
398.13849	1.3
409.25409	1.0
415.14532	6.9
436.80276	1.0
555.32709	1.0
577.25024	7.5
595.25970	7.1
675.36694	1.3
676.36530	1.2
683.69128	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	22.5
71.57376	2.3
72.99194	1.9
73.02805	3.7
85.02820	6.0
87.00747	4.3
89.02322	15.2
95.01274	2.3
97.02882	2.0
101.02335	15.6
102.99274	1.8
113.02324	6.9
119.03390	6.6
125.02339	7.7
141.01625	7.1
143.03429	2.3
159.86960	1.8
161.04512	3.1
169.12297	9.0
179.05540	5.6
197.11778	100.0
209.11766	6.6
235.08191	6.8
277.21759	64.8
277.24115	1.1
277.24808	2.0
278.22079	5.7
305.08731	2.9
379.12488	15.4
397.13525	47.7
398.13962	2.7
415.14453	7.1
557.64886	2.4
577.24847	6.3
595.26001	7.0
657.35278	4.6
675.36676	3.1
862.89288	2.6
890.26068	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	947.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	2.9
71.01248	2.5
71.55756	1.6
76.95520	0.9
83.04878	2.1
85.06470	1.4
89.02325	1.0
93.06968	4.1
99.08040	4.5
99.28870	0.8
116.92762	3.6
121.10073	1.5
122.58012	1.0
125.02328	1.7
137.05974	11.5
155.07021	7.4
167.10692	100.0
168.10986	3.6
181.35931	1.0
184.52287	0.9
209.11752	3.1
210.12108	1.3
227.80952	0.9
234.39497	0.8
246.25797	0.9
261.18622	1.0
277.21658	3.3
278.21994	1.6
279.22223	1.1
292.48975	0.9
422.50919	0.9
438.13321	3.2
452.15137	1.5
466.12607	1.2
481.15198	28.6
482.15741	6.0
490.21521	1.1
495.16916	9.3
496.17181	1.8
497.17981	4.4
514.14923	3.5
539.15698	1.7
540.16516	7.2
541.16803	1.6
554.17822	2.6
555.18866	66.1
556.19067	9.9
572.15460	18.9
573.15552	2.4
586.17139	5.2
587.17651	1.2
609.20093	1.3
627.21307	1.5
641.22540	49.7
642.22766	6.9
651.08264	1.1
658.67773	1.1
779.29358	2.0
797.30316	8.0
809.33936	3.4
825.11731	1.3
947.40808	91.0
948.41125	20.6
976.44153	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	8.2
69.50056	36.9
71.01254	44.6
73.02805	6.0
75.00751	7.9
85.02823	9.6
87.00726	10.5
88.98692	4.7
89.02310	39.1
95.01237	8.1
97.02823	24.8
98.19775	8.8
101.02343	29.7
102.02664	6.7
109.06468	35.9
110.06822	12.4
113.02320	17.3
116.92735	22.3
119.03365	9.8
125.02317	19.2
163.11159	18.8
164.11559	9.7
179.05521	12.2
193.76714	5.8
202.08522	4.9
207.10211	100.0
208.10564	55.9
209.10376	6.6
209.11783	17.2
225.11255	33.7
226.11649	23.1
235.08183	14.8
239.12920	10.2
277.21732	91.7
278.22095	71.6
279.22330	22.7
301.00067	7.2
305.08871	5.3
305.29727	5.8
349.82535	5.1
397.13455	36.8
398.13782	40.5
399.13980	32.2
400.14206	12.3
416.14648	9.9
633.66956	5.0
885.47754	42.2
886.48035	81.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
70.29021	4.3
71.01254	52.1
71.57127	5.0
71.57539	6.4
72.01588	5.5
73.02803	7.9
81.03336	5.4
83.04913	6.6
85.02824	10.9
86.35142	4.7
87.00735	11.2
89.02333	30.3
96.95919	5.1
97.02812	12.2
99.00741	9.4
101.02311	20.8
109.06466	34.0
110.06808	10.6
113.02314	17.1
114.93310	6.2
116.92753	33.9
125.02331	14.5
154.78731	4.8
163.11215	26.6
164.11591	12.1
171.10362	5.7
174.24519	4.4
179.05499	9.7
185.11774	8.6
199.13382	6.6
200.13774	4.5
207.10201	100.0
208.10530	31.6
209.12016	42.4
210.12228	10.2
225.11235	37.5
226.11655	21.1
227.12946	7.3
233.84470	5.5
235.08206	8.7
236.08348	6.3
239.12834	13.3
253.09288	9.4
271.15820	5.8
277.21732	86.8
278.22086	49.1
279.22327	11.1
379.12213	7.7
397.13522	43.2
398.13846	27.1
399.14050	19.1
415.14569	12.9
416.14783	8.2
417.14978	6.2
522.82477	6.1
885.47394	19.4
886.47980	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03345	2.7
71.01256	28.2
72.99188	4.8
73.02819	4.2
75.00762	3.8
80.02556	1.7
80.91570	4.1
81.03328	5.1
83.01231	4.3
83.04900	4.5
85.02824	7.6
87.00743	7.1
88.98682	2.2
89.02325	21.3
95.01289	2.6
96.29854	2.1
96.30485	2.3
96.95903	1.9
97.02848	12.0
99.00757	5.2
101.02326	21.1
109.06476	32.2
110.54826	2.0
113.02312	12.4
119.03399	5.1
121.06450	2.4
125.02364	13.3
125.09469	2.1
135.08044	4.1
136.05173	2.4
141.01675	2.0
142.02589	3.3
143.03442	3.4
161.04515	4.9
163.11177	19.8
181.12265	4.4
189.09102	4.0
207.10208	100.0
208.10542	4.4
209.11826	17.2
225.11259	37.4
229.40359	2.8
235.08159	7.8
243.12405	3.0
253.50476	2.4
255.23245	7.3
263.07852	2.3
277.21832	4.5
279.23303	84.5
280.23578	5.0
287.07706	3.4
323.09692	2.6
363.26334	2.6
379.12296	8.5
397.13498	65.3
398.13730	3.5
415.14438	14.1
531.70953	2.0
605.24487	6.2
623.24561	2.6
885.48505	64.3
886.48566	9.6
945.49646	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	943.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03339	2.6
71.01254	19.5
71.04884	2.1
71.13636	2.1
71.97894	1.1
72.99182	2.0
73.02831	3.4
75.00736	1.8
81.03329	2.1
83.01258	2.1
83.04909	1.9
85.02827	4.8
87.00753	7.1
88.98685	1.2
89.02312	10.4
95.01273	2.3
97.02832	13.3
97.06478	1.6
98.50804	1.1
99.00761	19.4
100.88999	1.0
101.02324	10.4
109.06471	3.9
110.03687	1.7
111.00814	1.2
113.02332	9.1
116.92690	1.8
119.03424	3.0
125.02343	9.6
125.09582	5.4
135.08022	2.5
136.05206	1.4
142.02623	2.5
143.03502	1.9
161.04445	2.3
163.11211	13.5
179.05507	2.0
181.10783	2.1
181.12259	20.9
185.71675	1.1
199.13295	4.1
207.10197	76.8
208.10583	3.6
217.11461	1.1
221.06598	2.1
225.11276	100.0
226.11597	5.9
235.08214	2.4
243.12350	36.0
263.07651	2.3
274.84116	1.5
277.21722	54.8
278.22025	3.7
287.07678	1.3
299.14926	1.7
301.00046	1.2
317.16049	2.9
379.12338	2.2
397.13538	12.3
415.14536	2.6
461.20288	1.6
605.24506	26.0
606.24408	3.4
623.25470	28.5
624.25934	3.9
826.39386	1.3
883.46960	98.1
884.47186	15.5
973.89594	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	943.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01745	0.5
69.03285	0.5
71.00896	0.7
71.01257	9.9
72.01604	0.6
72.99163	0.5
73.02817	2.4
83.01244	1.4
85.02818	3.9
87.00741	0.9
88.64759	0.5
88.94415	0.5
89.02312	2.9
95.01274	1.6
98.19766	1.3
99.00771	1.0
101.02325	5.4
102.02682	0.6
107.01261	1.4
111.00728	1.6
113.02312	3.3
119.03362	1.1
123.00760	6.5
123.08005	1.1
125.02338	7.0
139.00258	2.3
140.01039	1.8
140.97461	0.5
141.01790	1.0
151.00267	3.9
168.00578	1.4
169.01328	9.8
177.12752	1.8
177.72127	0.5
195.13766	1.5
199.94585	0.5
211.02385	1.1
221.11787	1.6
225.55141	0.6
271.04611	1.5
300.99863	1.8
301.03616	0.5
313.05637	0.6
401.18149	48.3
402.18500	13.7
403.18683	6.8
541.22888	100.0
542.23157	10.9
544.92920	0.5
615.09869	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
66.75239	0.4
72.44846	0.4
107.01278	1.1
109.02821	1.2
109.99990	4.4
111.00754	1.7
121.02793	0.7
123.00778	1.0
124.01594	0.5
135.00769	0.5
137.99481	1.8
139.00278	6.3
144.57532	0.5
148.01593	0.7
149.02362	0.6
151.00261	4.4
152.01025	0.9
159.04408	0.5
163.00191	0.8
164.00989	0.7
164.98274	0.5
165.98988	5.3
166.99770	2.8
169.01376	0.6
174.97830	0.4
176.01010	0.6
178.99765	4.3
184.09309	0.4
187.03824	0.7
199.03984	1.0
201.01955	0.9
203.03438	0.5
211.03966	0.6
215.03493	0.9
226.02669	1.1
227.03511	2.5
231.03056	0.7
242.02080	2.1
243.02977	5.4
244.03543	0.5
245.04515	0.8
255.02916	5.4
259.02502	1.6
270.01727	2.6
271.02475	26.5
272.02930	2.0
273.04037	1.0
287.01981	9.9
288.02606	1.8
298.01181	0.7
299.01962	10.0
300.02722	15.7
301.00211	0.5
301.03491	9.4
315.01474	0.7
316.02213	26.0
317.02957	14.3
318.03107	0.8
463.08807	37.4
464.09021	3.3
477.06992	0.8
478.07367	2.0
479.08295	100.0
480.08588	10.0
480.15271	0.9
894.03961	0.5
933.30463	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03314	2.8
71.01259	23.3
75.77508	1.6
83.01276	2.7
84.58192	1.6
85.02831	5.3
87.00763	4.6
89.02335	16.6
95.01260	3.9
97.02831	3.9
101.02328	15.4
113.02343	9.7
119.03365	2.1
125.02319	8.0
143.03400	2.8
161.04457	4.7
167.10689	2.7
179.05511	5.2
179.14326	3.4
195.13817	10.2
205.12311	8.3
209.11757	1.7
221.06691	2.3
223.13356	100.0
224.13704	3.8
235.08286	5.1
241.39528	1.5
277.21716	75.6
278.22018	5.3
305.08762	4.7
379.12497	11.3
397.13501	58.8
398.13544	2.6
415.14624	11.7
512.42401	1.8
603.26660	7.4
621.27679	8.5
675.35974	4.4
881.48694	2.2
884.03571	2.0
925.70685	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	941.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03311	3.0
69.40637	1.0
69.45396	5.4
69.45821	3.6
71.01258	21.7
72.93692	1.0
72.99184	1.6
73.02823	3.3
81.03374	1.4
83.01273	2.1
85.02831	5.8
85.74911	1.0
87.00756	4.7
89.02316	17.8
89.02830	1.5
95.01267	3.2
97.02850	2.4
99.00787	1.4
101.02336	13.0
113.02345	9.8
116.92735	1.7
119.03392	4.7
125.02339	8.0
143.03387	3.2
161.04478	5.0
163.03058	1.1
167.10695	3.9
167.24480	1.2
179.05554	5.9
179.14365	4.0
189.06625	1.2
195.13866	10.4
205.12317	10.5
221.06743	1.6
223.13353	100.0
224.13756	5.3
235.08195	4.4
277.21735	59.4
278.22171	4.8
287.07684	2.0
305.08722	2.5
323.09653	1.9
361.48303	1.2
379.12473	8.7
397.13501	49.0
398.13669	1.8
415.14716	8.8
462.06247	1.2
603.26611	10.1
604.27075	1.6
621.27417	11.5
622.28052	2.6
658.34045	1.2
675.35986	3.2
881.48596	3.3
882.48334	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	941.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03786	0.4
66.20456	0.5
66.21529	0.5
71.00889	0.9
71.01257	10.7
72.99181	1.1
73.02808	3.4
81.91844	0.5
83.01268	1.9
85.02826	5.6
89.02332	3.8
95.01257	1.3
98.20586	1.7
99.00758	1.4
101.02324	10.0
111.00803	0.6
113.02325	4.5
119.03406	1.4
123.08041	1.6
125.02346	0.9
161.04382	0.6
161.13995	0.5
164.10561	0.5
169.01363	1.4
177.12756	2.9
189.01845	0.6
195.13773	2.4
221.11830	1.5
229.87906	0.7
289.00064	0.8
298.98248	0.6
301.00006	1.6
302.00143	0.5
401.18170	100.0
402.18472	7.4
408.85602	0.5
539.13837	0.6
539.21790	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
69.85820	1.2
69.86248	1.9
107.01299	1.0
109.02888	0.5
117.03339	0.7
118.28328	0.6
123.00787	0.6
125.02370	3.3
137.02359	1.5
143.01514	0.5
145.02896	0.8
147.04359	0.6
149.02350	0.8
151.00278	1.6
151.69572	0.6
153.01851	0.5
161.02434	0.7
163.00308	3.1
163.03915	0.6
164.00751	0.5
169.01324	4.4
173.02382	0.7
177.01797	1.0
183.04443	0.9
189.01804	0.8
191.03503	0.9
192.03491	0.5
198.41512	0.5
201.01852	1.4
203.03456	1.0
207.02875	0.5
209.00923	0.7
211.02274	0.9
211.04065	1.0
217.01422	1.1
219.03064	0.6
227.03455	34.5
228.03914	1.6
229.01375	1.2
231.07886	0.5
243.03236	0.5
245.00822	1.2
247.02359	0.9
255.02980	43.4
256.03610	5.8
257.00919	0.7
271.04599	1.4
273.00494	1.0
275.01968	1.7
284.03265	52.8
285.03922	8.9
299.99167	1.7
300.02640	1.0
300.99915	27.1
301.03290	1.8
302.00275	2.9
303.00458	0.9
313.03494	1.6
327.05170	0.9
417.08270	100.0
418.08694	5.9
463.10110	1.2
519.19275	0.9
520.19440	0.7
521.19220	1.1
625.15515	1.6
863.65820	0.6
907.08820	2.3
908.08472	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.111
Annotation	1,2,3,4,6-Penta-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
67.01775	2.2
69.03326	1.6
71.01247	2.0
72.99157	1.9
79.01752	1.5
82.47530	1.1
95.01257	13.3
97.02827	3.7
98.02145	1.0
98.20564	2.5
98.42583	1.1
107.01273	7.9
111.00811	2.6
117.03384	1.2
122.99902	2.3
123.00777	36.7
124.01587	2.6
125.02338	86.0
126.02602	1.8
131.04880	1.1
136.98679	2.6
139.00319	5.4
140.01065	5.2
141.01877	2.3
145.02832	2.5
149.02348	2.1
151.00311	3.9
159.04424	2.2
161.02365	2.9
163.03941	1.9
166.99774	10.8
168.00571	10.5
169.01341	100.0
170.01624	2.2
173.02361	2.0
175.03865	2.4
177.01883	3.3
181.01262	1.7
187.03922	2.1
189.01846	2.0
189.05627	1.6
190.02640	1.6
191.03435	4.1
193.01323	3.0
199.03831	1.5
203.03419	1.9
205.01341	5.0
205.04941	2.1
207.02843	1.4
210.41809	1.2
211.02402	5.0
214.02962	1.1
215.03355	1.9
217.01402	2.8
217.04945	2.7
221.00684	1.7
229.01396	1.8
231.02972	2.3
233.04462	2.4
235.02414	2.5
245.00865	4.3
246.01596	1.4
247.02461	12.8
249.03873	1.6
259.02536	2.0
261.00354	1.2
261.03943	1.5
273.00342	8.1
275.01981	3.5
277.03442	4.9
291.01544	3.4
295.04770	5.6
298.98441	1.9
299.99033	1.7
300.99893	11.1
301.03430	2.5
302.00256	3.0
313.05472	5.2
344.28485	1.1
383.12064	1.2
399.13364	1.5
429.04721	2.1
431.06128	3.6
435.05444	1.7
447.05603	3.5
453.06686	2.1
465.06760	2.6
539.21350	11.5
599.06732	4.8
600.07446	1.5
601.08112	3.3
617.07825	12.5
755.07141	1.9
769.08881	53.3
770.09076	7.3
787.09851	5.6
787.54358	1.4
788.09351	1.6
935.28607	1.1
939.11176	14.7
940.11829	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	12.4
71.56171	6.1
85.41056	5.3
85.49068	5.9
89.02305	10.7
99.92453	13.2
100.17185	5.2
101.02296	7.9
113.02339	7.5
116.92749	100.0
117.92736	7.0
121.02818	6.6
146.17690	5.9
150.66055	5.2
209.11748	12.3
211.13329	56.5
277.21707	43.4
397.13458	35.4
455.81674	6.6
470.51117	6.7
580.84656	7.1
591.27130	8.7
608.74591	6.2
609.27197	10.1
637.85663	6.7
937.49573	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	937.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01267	14.6
71.57194	13.5
90.04720	7.6
101.02372	8.4
106.36216	8.6
109.62588	8.3
116.92766	20.3
125.02332	10.6
143.03409	9.7
211.13344	100.0
212.13846	8.9
277.21707	75.3
379.12576	16.0
397.13470	58.0
675.35663	13.7
727.39569	10.5
902.39063	10.1
937.49475	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
67.24533	1.9
71.01242	12.4
72.22675	2.2
72.79356	1.8
73.02871	2.1
83.04905	2.3
85.02861	2.1
86.22989	2.0
89.02328	6.5
96.95885	4.4
98.20623	4.3
101.02335	8.4
110.84118	2.0
113.02336	5.8
113.36068	1.8
119.03447	3.3
121.02867	3.5
125.02301	9.7
152.25549	1.9
161.04529	2.4
169.01340	7.0
179.05504	5.9
182.03772	1.9
191.10693	2.3
195.13806	2.8
209.11768	78.5
209.13792	3.7
210.12047	2.9
217.01497	2.2
223.13406	3.3
227.12842	18.3
235.08183	3.3
274.96164	2.1
275.20184	4.0
291.19455	2.0
293.21216	100.0
294.21539	2.1
300.99982	8.5
305.08914	2.4
379.12399	4.8
397.13443	51.0
415.14554	16.3
528.86743	2.2
537.23401	2.7
607.25885	10.8
691.35455	4.3
692.37750	2.2
924.65863	2.2
937.45514	23.3
938.44757	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	937.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42187	4.7
95.01275	1.0
107.01265	1.2
117.03371	0.7
123.00786	2.6
123.22148	0.5
125.02344	10.6
131.07846	0.6
133.02838	0.7
139.00246	0.8
145.02861	1.8
147.04359	0.9
151.00179	0.6
154.01451	0.6
157.02847	0.9
159.04338	0.7
161.02342	1.4
163.00282	0.6
163.03912	1.0
168.00533	1.0
169.01337	9.2
173.02345	2.5
175.03926	1.7
177.01888	0.9
185.02373	2.4
189.01837	1.7
190.02609	0.8
191.03473	1.4
201.01964	3.5
203.03459	2.0
206.26268	0.5
211.02475	0.7
213.02048	0.6
217.01396	2.0
219.02924	1.0
229.01360	4.9
231.03052	3.2
235.24846	0.6
242.99304	0.9
245.00905	4.7
247.02477	4.4
249.04048	3.2
257.00836	3.8
258.01685	0.7
260.51923	0.6
270.99005	0.6
273.00372	4.3
274.01239	1.3
275.01993	10.2
283.99637	2.2
285.00415	1.0
291.01343	1.1
298.98456	1.2
299.99103	3.6
300.02637	1.4
300.99896	100.0
302.00232	5.8
313.05734	3.4
354.04071	0.5
382.94565	0.6
463.08978	1.0
465.06726	8.5
483.08008	1.1
615.06189	1.2
633.07452	4.0
737.91327	0.6
767.07050	2.7
785.08502	4.6
937.09882	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	935.5383
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	1.0
71.01253	20.6
72.01570	0.9
78.95775	1.2
81.03349	1.1
85.02847	2.4
87.00790	2.0
89.02319	4.4
95.01295	1.0
96.95897	12.5
97.02808	1.2
98.20637	1.9
98.95473	4.4
101.02334	4.3
113.02347	2.9
116.92751	1.4
119.03386	1.1
122.64246	0.9
125.02368	4.6
127.07525	1.4
142.56094	1.1
143.03384	1.5
148.39461	0.9
151.07568	1.1
163.11134	1.3
164.08354	1.0
169.01317	4.6
171.10179	7.7
172.10535	2.0
177.09119	3.5
179.05602	1.1
185.11885	1.3
192.11487	5.6
197.11758	3.1
201.11288	6.5
205.12358	2.1
207.10217	2.2
207.13879	2.9
208.10458	1.0
209.11856	5.0
210.11995	2.1
211.13402	6.5
212.13707	1.5
218.09483	1.7
220.14635	38.4
221.15411	100.0
222.15805	4.1
225.11337	4.9
226.11713	2.6
235.13350	1.6
236.10506	88.5
237.10898	4.2
237.72881	1.1
238.14252	1.0
289.18268	1.1
291.19580	4.2
292.19989	1.9
293.17627	66.5
293.21112	6.4
294.17938	4.1
299.99170	1.2
300.99976	5.4
309.20767	8.1
310.21033	4.9
311.21585	2.3
341.23337	4.4
342.23618	3.9
343.24130	1.7
371.11703	1.1
385.27682	1.0
397.13501	7.4
398.13794	3.0
399.13654	2.6
415.14450	3.5
416.14722	1.8
417.15393	1.4
709.55499	1.2
759.53503	1.1
770.16766	1.0
917.44196	1.4
935.47296	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	935.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	1.6
71.01254	13.2
72.99192	1.2
73.02821	2.2
80.02568	0.9
81.03337	1.4
83.01263	1.2
83.04903	4.8
84.02049	1.0
84.08705	0.7
85.02809	4.9
87.00754	2.7
89.02313	10.1
94.75101	0.5
95.01254	1.0
95.04903	1.8
96.95899	2.5
97.02835	1.7
97.06456	3.9
99.00788	0.6
101.02336	8.1
106.20135	0.6
113.02348	5.4
116.92765	0.9
119.03398	2.2
121.02871	0.8
121.36107	0.5
125.02336	4.1
125.09615	1.5
127.11235	0.7
134.95190	0.6
135.08069	0.9
137.09566	0.5
143.03363	1.5
155.14392	0.8
161.04465	1.9
163.11234	3.3
165.12773	3.5
167.14349	1.1
169.01331	1.9
171.10176	7.4
177.12807	1.1
179.05533	2.5
181.12199	0.6
183.13785	3.0
185.11768	1.4
193.12276	1.2
193.24158	0.5
197.11774	0.9
209.11778	57.7
210.12120	2.4
211.13326	14.7
212.13542	1.0
217.01256	0.5
221.06685	1.5
221.11797	3.4
227.12830	7.5
229.14421	12.4
230.14864	0.7
235.08224	3.1
238.61998	0.6
239.12785	1.7
253.09337	0.7
263.97415	0.5
287.07724	1.2
291.19699	3.8
299.99149	0.6
300.99860	3.1
305.08691	1.4
309.20673	9.3
323.09723	0.7
327.21771	100.0
328.22043	6.7
379.12695	0.7
397.13507	30.6
398.13788	1.8
415.14557	14.6
416.15237	0.8
450.10602	0.6
502.86224	0.5
519.33063	1.0
537.34644	0.8
607.26190	2.1
666.90289	0.7
707.35016	2.3
725.36615	2.7
793.12152	0.6
795.60687	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86353	8.2
71.01238	1.3
79.01759	1.3
89.03825	1.5
95.01263	7.4
97.02838	1.8
103.97161	1.3
107.01264	5.2
110.14175	1.3
111.00797	1.7
115.83892	1.9
117.03336	4.8
119.04942	1.7
123.00748	14.6
123.86117	1.4
125.02328	30.3
133.02878	4.6
139.00241	1.9
142.84392	1.4
143.01268	2.1
145.02858	11.5
147.04408	2.2
151.00253	2.5
157.02869	2.9
161.02298	9.7
163.00267	1.8
163.03903	5.8
166.99765	7.1
168.00513	2.1
169.01335	36.1
171.00784	5.8
172.01645	2.6
173.02362	13.7
175.03940	3.4
177.01831	3.3
179.03423	1.8
185.02350	3.9
187.00276	3.1
189.01839	11.1
190.02565	2.4
191.03375	3.8
199.00325	4.6
200.00952	2.4
201.01863	14.7
203.03360	3.3
214.99843	4.3
216.00505	3.6
217.01350	19.9
221.95064	1.6
222.17374	1.5
225.94615	1.5
226.99779	8.7
227.03336	1.7
228.00586	3.3
229.01381	17.3
230.01961	3.6
231.03058	7.0
233.00894	1.9
242.99358	5.2
244.00101	3.4
245.00871	34.2
246.01338	2.0
247.02390	12.4
254.99266	2.9
255.02950	3.2
257.00882	6.1
258.01337	2.0
261.00549	3.2
261.37802	1.5
267.03125	2.8
270.98807	12.9
271.01584	2.5
271.99344	2.7
273.00403	69.3
274.00922	6.2
275.01996	15.4
283.99551	2.0
285.00351	2.0
288.99994	3.8
291.01550	4.4
295.04767	2.5
298.98355	29.1
299.01651	2.0
299.99042	16.7
300.02335	2.6
300.99905	100.0
302.00165	6.8
315.01508	2.4
316.99362	12.4
343.00882	1.9
401.04932	1.9
445.04242	2.4
447.05954	3.1
463.04919	2.3
465.06818	4.8
551.04639	2.1
553.06433	2.3
597.05231	3.1
615.06268	2.4
617.07953	13.6
720.47266	1.8
747.04694	5.2
749.06134	26.7
750.06189	2.9
760.39203	1.8
765.06140	3.5
767.07245	17.3
917.06964	10.3
935.08124	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	933.5079
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	100.0
71.57261	5.1
73.02818	5.7
83.01254	5.6
85.02829	11.4
87.00763	9.8
89.02314	20.1
96.95891	88.8
97.02815	10.0
99.00750	11.7
101.02351	22.6
109.06487	17.9
112.98676	14.3
113.02316	12.2
123.17742	4.2
124.98679	4.8
125.02309	9.5
127.67523	4.1
130.75919	4.3
143.03415	5.9
161.04469	6.2
163.11130	12.6
168.26178	4.4
171.10127	15.2
179.05508	7.9
181.12262	7.2
183.10141	6.2
191.05505	9.8
197.11780	4.5
197.48347	4.8
201.11275	9.2
207.10208	55.5
208.10728	4.8
209.11732	14.2
225.11246	36.0
234.11066	5.3
235.08160	9.3
255.23109	8.5
272.82471	4.9
273.17004	12.5
277.18973	5.9
277.21750	71.3
278.21960	6.4
300.99924	9.7
397.13455	33.1
398.13693	5.5
415.14368	12.6
615.84369	5.2
623.24939	6.8
803.64661	4.9
883.47028	26.4
884.47369	13.5
901.48199	7.0
933.49451	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	933.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	100.0
71.26122	9.4
72.99172	4.2
80.59056	3.7
82.08855	3.5
83.01253	4.6
85.02820	14.3
87.00750	8.6
89.02307	18.8
94.11588	3.6
96.95901	9.9
97.02817	6.5
98.20546	4.0
99.00799	8.3
101.02322	19.1
109.06480	21.3
113.02327	10.1
115.00272	5.1
119.03375	7.1
121.02862	4.5
125.02320	11.0
161.04483	4.5
163.11182	12.4
169.01306	8.5
171.10179	16.6
175.02396	7.7
181.12244	13.4
191.05544	37.6
192.05801	4.0
199.09729	4.5
199.13333	8.1
201.11305	6.9
207.08344	6.1
207.10205	76.2
209.11742	17.0
225.11269	50.0
235.08325	5.0
243.12308	12.5
277.21725	57.2
300.99817	18.9
397.13437	29.3
415.14508	9.3
605.24268	4.8
623.25110	13.8
700.34882	4.2
862.67694	4.8
883.46954	25.2
884.48267	11.3
901.48303	11.5
933.50751	35.3
934.50195	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	933.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03311	2.5
71.01259	100.0
71.56867	4.2
72.99171	4.4
73.02811	6.3
79.95588	2.8
83.01247	3.1
83.04871	3.0
85.02832	7.2
87.00739	5.8
89.02319	20.0
96.95871	13.4
97.02840	11.8
99.00726	6.9
101.02325	22.6
109.06459	14.1
113.02331	8.9
116.92753	3.9
119.03364	4.9
123.00813	2.7
125.02335	10.5
125.09576	4.3
161.04474	4.9
163.11200	12.2
169.01294	5.5
171.10132	12.0
179.05548	3.5
181.12216	7.0
185.11757	3.5
191.05513	10.7
199.09778	2.6
199.13217	3.1
201.11230	6.7
207.10207	65.9
208.10498	5.0
209.11723	8.8
221.06590	3.2
225.11269	43.5
235.08160	6.9
243.12331	6.8
253.09288	2.4
255.23383	6.1
273.17130	5.2
277.18933	4.7
277.21732	60.2
278.22061	7.3
279.23032	2.8
300.99796	11.1
305.08722	2.8
397.13535	36.5
398.13806	4.4
415.14795	12.9
449.92548	3.2
607.53198	3.2
623.25336	7.1
861.48639	3.5
883.46814	17.5
884.47113	12.1
901.48315	9.8
902.49823	3.2
933.50403	20.1
934.49658	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	933.4708
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03317	3.5
69.48423	1.1
71.01252	25.3
71.04889	2.7
72.99171	2.4
73.02810	3.9
80.02551	2.2
81.03342	3.9
83.01262	2.7
83.04884	8.2
84.02045	1.1
85.02840	9.3
87.00752	6.8
89.02308	17.6
95.01270	4.1
95.04891	1.9
96.95892	9.8
97.02835	9.1
97.06461	4.4
99.00803	2.0
101.02326	18.1
107.01259	3.4
107.04921	1.2
109.06480	23.2
110.03627	1.1
111.00754	2.4
113.02353	8.8
114.37840	1.0
119.03392	3.6
121.06424	1.3
123.00784	5.2
123.04438	1.4
125.02338	20.7
125.05991	1.8
125.09605	1.7
126.02630	1.4
127.07481	1.8
131.03474	1.3
135.08051	3.0
141.01797	1.6
143.03386	3.6
153.09184	1.2
161.02348	1.5
161.04463	3.4
161.09648	1.5
163.00270	1.3
163.03938	1.3
163.11191	11.5
165.12782	3.5
166.99786	2.6
169.01324	22.1
169.12296	1.4
170.01674	1.8
171.10191	11.4
173.02353	1.9
179.05528	4.7
181.12300	4.8
183.13814	3.1
185.04541	1.2
191.03419	1.9
191.10748	1.6
193.12335	1.5
197.11783	23.3
199.13351	2.2
207.10208	25.9
209.11775	100.0
210.12105	4.3
211.13338	21.0
217.01303	1.8
221.06602	3.1
221.11803	2.7
225.11279	13.6
227.12837	13.9
227.68236	1.1
229.01288	2.3
229.14394	7.0
235.08195	5.2
235.13351	3.7
239.12840	1.8
242.99344	1.2
245.00772	3.6
249.14934	2.4
253.09268	1.4
257.01056	1.6
270.98819	3.0
273.00449	3.9
275.01846	3.8
289.18118	3.6
291.19574	2.2
298.98392	2.6
299.99124	4.3
300.99930	21.4
302.00226	2.5
307.19138	4.9
309.20651	5.3
325.20203	81.1
326.20728	5.6
327.21750	48.6
328.22174	2.0
349.20236	1.3
379.12442	2.3
397.13483	44.0
398.13916	3.3
415.14532	22.8
438.53113	1.1
452.03006	1.9
605.23804	2.0
607.25903	1.7
623.25323	1.7
688.81030	1.4
705.33136	2.3
707.34888	2.3
915.45819	2.8
933.47107	16.9
934.47577	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	933.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01721	1.6
69.03341	5.6
71.01254	54.7
72.99200	3.2
73.02831	11.4
80.02522	1.6
81.03344	3.6
81.94330	1.2
83.01268	5.4
83.04900	4.0
85.02830	13.8
87.00751	12.2
89.02320	30.6
94.65039	1.1
95.01248	3.3
95.04900	3.8
96.95892	18.7
97.02833	13.9
97.06460	1.5
99.00752	3.1
99.04402	2.5
101.02321	29.6
109.06474	7.9
110.03603	1.8
111.04369	2.1
111.08015	4.2
113.02348	19.2
116.21536	1.2
119.03372	9.3
123.00764	1.5
123.04376	1.6
123.08044	2.3
125.02327	12.8
125.06020	1.2
125.09614	6.9
127.07591	1.6
127.11156	4.4
131.03325	1.8
135.08017	1.4
137.09584	3.5
139.03899	1.1
139.07556	3.5
141.01796	1.8
143.03403	6.1
149.04488	1.1
149.09700	2.0
151.11244	1.4
153.09076	1.3
155.10675	2.2
161.04453	5.0
161.09659	1.8
163.11234	12.6
165.12802	8.4
167.10716	1.4
169.01286	1.9
169.12173	1.8
171.10182	60.4
172.10542	2.0
179.05565	7.9
179.10674	2.4
181.12245	6.5
183.13834	2.1
185.04501	2.2
185.11778	5.9
189.09090	2.6
191.10669	1.7
193.12267	2.1
197.11752	13.9
199.13205	1.7
201.11264	44.6
202.11618	1.5
207.10193	24.7
209.11772	35.9
210.12059	2.3
211.13350	7.8
215.12755	4.0
221.06645	4.2
221.11734	1.4
225.11276	63.9
226.11667	2.9
227.12825	9.2
235.08186	11.0
243.12285	6.0
245.19083	2.7
247.20627	4.6
248.37938	1.1
253.09283	4.3
263.20020	1.5
273.18631	2.6
287.07669	2.6
289.17984	9.3
291.19659	50.7
292.20105	2.0
300.99890	4.7
305.08853	2.7
307.19022	6.8
309.20706	100.0
310.20975	7.8
323.09753	1.6
341.23279	5.8
379.12357	3.9
397.13486	51.6
398.13864	1.8
415.14603	21.0
415.26657	1.4
439.14481	4.3
605.24530	4.3
623.25684	9.3
707.34998	1.9
841.05865	1.4
860.89526	1.2
906.80530	1.7
915.45905	8.1
916.47479	1.5
933.47833	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	933.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92899	0.1
70.98167	0.4
71.01249	0.4
78.95777	4.6
78.96216	0.3
79.95613	3.6
80.68276	0.2
87.00719	0.2
89.02293	0.2
94.97984	0.2
96.95897	100.0
96.96787	5.4
101.02309	0.2
107.01292	0.3
113.02342	0.2
123.00776	0.6
125.02364	1.2
145.02911	0.3
149.02309	0.2
150.03094	0.3
151.00211	0.2
161.02408	0.1
165.01878	0.2
166.99789	0.2
168.00558	0.2
169.01384	1.4
170.01649	0.2
173.02414	0.2
174.02960	0.2
175.02362	0.2
185.02412	0.2
189.01868	0.4
191.03345	0.2
195.06564	0.2
201.01909	0.2
209.11813	0.6
214.99799	0.2
217.01341	0.3
229.01357	0.5
240.67824	0.1
245.00914	0.6
247.02296	0.2
265.07684	0.2
270.98828	0.7
273.00436	1.1
274.00888	0.2
275.01910	0.7
298.98346	0.9
299.99066	0.5
300.99899	5.0
302.00327	0.5
386.95734	0.2
465.92001	0.2
663.79443	0.2
781.81287	0.2
933.06042	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00183	1.7
67.15735	1.8
69.32687	1.7
70.12354	2.0
95.01281	2.7
99.03799	1.7
107.01304	2.2
117.03343	2.3
123.00775	5.2
125.02351	9.7
130.82997	1.6
133.02838	4.6
139.00270	3.3
145.02867	9.7
149.02344	2.2
151.00276	6.0
155.00685	1.9
157.02850	1.7
161.02361	5.4
166.99777	6.1
169.01341	9.8
173.02353	9.9
178.99802	3.1
179.03587	2.1
185.02364	3.6
187.00278	4.5
188.21602	1.8
189.01895	7.1
200.00998	2.7
201.01839	6.2
214.99823	4.3
217.01401	9.6
226.99774	2.1
227.03357	2.5
229.01347	6.4
229.24825	1.9
242.99364	8.8
243.02908	2.4
245.00865	35.9
255.02988	8.8
257.00867	2.6
261.00436	2.9
270.98871	24.1
271.02466	21.9
271.99252	3.2
273.00400	54.3
273.03391	3.3
274.00839	4.2
275.01984	6.5
278.71301	1.9
283.99573	3.8
286.98413	3.5
287.98355	2.2
298.98337	36.2
299.01865	4.9
299.99054	13.0
300.02756	43.2
300.99893	100.0
301.03455	23.0
302.00272	5.6
306.60541	1.9
314.97794	5.1
315.98416	4.6
316.01877	2.4
316.99405	48.7
317.02905	2.1
317.99609	4.4
318.77075	2.1
463.09030	19.7
464.09131	2.7
601.16595	2.1
613.08051	7.6
615.09888	69.3
616.10358	10.9
631.09357	15.5
933.06805	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	933.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33871	2.8
69.34298	1.4
89.03835	0.5
89.26638	0.4
95.01279	2.1
101.03861	0.5
114.73667	0.4
116.07681	0.4
117.03323	1.6
119.04911	0.6
121.02861	0.5
123.00768	3.6
125.02343	2.2
129.03345	1.0
131.01286	0.7
132.45959	0.5
133.02908	2.3
134.42120	0.4
135.00847	0.4
135.04376	0.9
143.01268	0.5
145.02867	5.7
147.00745	0.7
147.04404	1.9
157.02919	2.1
159.00809	0.7
160.01567	0.6
161.02345	5.2
163.00325	0.5
163.03958	2.3
166.99796	1.7
169.01311	2.7
171.00784	1.2
172.01500	0.6
173.02365	6.0
175.03896	2.2
177.01888	1.1
179.03471	0.6
185.02336	3.2
187.00238	2.4
187.04005	0.6
189.01909	5.8
190.02557	1.4
191.03444	2.4
199.00317	1.3
200.01181	1.0
201.01907	6.6
202.02499	0.7
203.03400	2.6
205.01367	0.6
207.02744	0.5
213.01852	1.1
214.99814	3.4
216.00554	1.4
217.01401	6.5
218.01945	0.8
219.02936	1.5
226.99872	2.6
227.03505	0.6
228.00601	0.7
229.01389	8.8
230.02036	1.1
231.02919	2.8
233.01027	0.6
242.99329	5.3
244.00047	1.8
245.00887	14.6
246.01273	0.9
247.02408	3.8
249.03969	2.3
254.99348	1.4
257.00906	5.8
258.01505	1.7
261.00412	2.0
270.98849	18.3
271.99536	2.2
273.00412	23.3
274.01041	3.0
275.01968	17.5
276.02313	1.2
283.99680	2.4
285.00314	0.7
287.01855	0.5
291.01425	1.0
297.63165	0.5
298.98334	25.2
299.99051	9.1
300.99896	100.0
302.00272	5.8
303.00735	0.6
315.01508	0.7
316.99490	2.1
343.00888	0.7
389.05246	0.5
401.18326	0.7
420.04846	0.5
433.04196	0.8
443.02643	1.6
445.04126	2.2
461.03384	2.7
463.05173	2.9
505.41641	0.5
595.03979	1.0
613.04065	0.6
615.06067	0.6
765.05945	1.5
915.05414	0.6
933.06024	3.9
934.07361	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.0639
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31161	0.6
69.88837	0.6
77.21829	0.6
88.82649	0.6
89.03896	0.6
93.43198	0.6
94.29449	0.6
95.01272	1.1
105.03336	0.7
115.01703	0.7
117.03345	1.3
123.00776	1.8
125.02340	2.1
125.44744	0.6
129.03485	0.6
133.02846	1.5
134.81960	0.7
143.01222	0.7
145.02875	4.6
147.00819	0.8
147.04440	1.0
147.49550	0.5
157.02815	1.3
159.00790	1.0
159.98045	0.6
160.01509	0.6
161.02391	4.5
163.03897	1.5
166.99783	1.1
169.01326	2.8
173.02359	4.7
175.03954	1.6
177.01776	1.4
185.02394	3.0
187.00258	1.6
187.04056	0.8
189.01878	5.5
190.99796	0.7
191.03471	1.6
199.00331	1.7
201.01909	5.9
202.99779	0.7
203.03404	1.9
213.01804	0.8
214.99710	3.1
216.00542	1.8
217.01376	5.8
218.01926	0.7
219.02740	1.1
226.99878	0.9
228.00679	0.8
229.01370	7.2
230.01836	0.9
230.37325	1.3
231.02907	1.5
240.24352	0.6
242.99361	5.0
243.99925	1.3
245.00885	12.8
246.01302	1.0
247.02390	2.7
249.04015	1.9
257.00909	4.4
258.01697	0.9
261.00482	1.5
270.98859	13.8
271.99316	1.5
273.00412	18.7
274.01086	2.4
275.01971	9.3
283.99667	2.8
291.01428	2.3
298.98337	16.5
299.99112	7.8
300.99902	100.0
302.00241	5.6
315.01385	1.0
316.99460	2.0
325.61554	0.7
433.04288	0.9
445.04156	2.1
461.03772	3.3
463.05219	3.1
765.06622	1.0
901.86865	0.7
933.06757	3.6
934.07605	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
79.68269	0.6
95.01276	1.5
97.81565	0.6
98.20532	2.5
117.03356	1.9
119.01322	0.6
119.04942	0.7
123.00780	3.1
125.02329	2.7
131.01268	0.8
133.02843	1.8
145.02864	4.3
147.04401	1.3
157.02869	1.6
159.00815	0.7
159.04500	0.6
161.02362	3.2
163.03944	2.3
166.99782	1.9
169.01306	2.7
171.00816	1.4
173.02351	5.2
175.03914	1.5
177.01834	1.3
179.03406	0.7
185.02321	3.3
187.00316	2.0
189.01872	5.6
190.02498	0.8
191.03360	2.0
199.00336	0.9
200.01175	0.8
201.01917	4.9
202.91818	0.6
203.03419	2.9
214.99867	3.0
216.00536	0.9
217.01384	9.1
218.02228	0.6
219.02826	0.9
226.99808	1.3
228.00618	1.6
229.01379	6.4
230.01944	0.8
231.02992	1.4
232.16942	0.7
242.99350	4.6
244.00055	1.0
245.00900	13.7
246.01295	1.2
247.02457	2.2
249.04031	2.1
257.00894	4.8
258.01538	1.5
261.00348	2.0
270.98877	16.4
271.99548	1.5
273.00412	19.2
274.01083	1.7
275.01968	11.8
283.99570	3.1
298.98328	16.2
299.99072	8.2
300.99902	100.0
302.00214	5.9
312.99796	0.8
316.99408	2.3
343.00964	0.9
433.04065	0.8
445.04224	2.1
461.03748	2.4
463.05060	2.2
613.04553	0.8
915.06879	0.8
933.06445	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	933.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63944	1.3
69.64366	2.8
74.43937	0.5
95.01260	1.5
98.19810	1.1
111.25810	0.5
115.64776	0.5
117.03329	1.1
123.00784	3.0
125.02327	1.7
129.03377	0.7
131.01292	0.7
133.02840	1.1
145.02867	4.5
147.04372	1.0
159.04446	0.6
160.01595	0.7
161.02385	3.1
163.03915	1.5
166.99763	1.7
169.01318	2.7
171.00806	1.1
173.02380	4.1
175.03912	1.3
177.01848	0.9
185.02377	1.8
187.00264	1.4
189.01888	4.7
191.03442	1.6
199.00252	0.8
200.00993	0.7
201.01836	3.4
203.03450	2.5
213.01860	0.7
214.99803	1.7
216.00507	1.3
217.01366	5.6
218.01929	0.7
219.02901	0.8
226.99808	0.7
229.01357	6.3
231.02834	2.2
242.99327	5.2
244.00049	1.3
245.00883	13.0
246.01326	1.3
247.02487	2.3
249.04051	1.9
254.99274	0.9
257.00848	4.2
258.01691	1.1
261.00394	1.3
270.98846	13.2
271.99442	1.9
273.00400	21.4
274.00873	1.8
275.01959	10.2
276.02359	0.9
283.99582	2.0
289.00003	0.8
291.01581	2.2
298.98343	17.7
299.99011	7.0
300.99893	100.0
302.00262	6.0
315.01340	0.7
316.99396	2.2
343.00919	1.0
433.04211	0.8
443.02438	1.4
445.04272	2.7
461.03778	3.6
463.05286	3.7
467.12759	0.6
613.04596	1.3
711.58746	0.6
765.05511	0.9
915.03821	0.6
933.06512	5.4
934.07373	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00194	0.8
67.51678	0.3
70.64510	0.3
71.33867	0.4
71.34190	0.5
71.46733	0.3
89.03838	0.5
95.01278	2.0
109.02814	0.6
115.01766	0.4
117.03413	2.1
119.04929	0.6
121.02853	0.6
123.00779	3.1
125.02345	2.5
129.03401	0.5
131.01268	0.9
133.02814	2.2
135.04420	0.5
143.01306	0.7
145.02859	5.6
147.04411	1.5
149.02351	0.7
157.02847	1.1
159.00793	0.6
159.04417	0.8
160.01497	0.4
161.02374	4.1
163.00233	0.8
163.03896	2.5
166.99776	1.1
169.01419	2.0
169.02583	0.3
171.00801	1.4
172.01524	0.6
173.02380	5.6
175.00298	0.8
175.03978	1.9
177.01859	1.5
179.03458	0.6
184.07201	0.4
185.02388	3.3
187.00287	2.3
187.03951	0.5
188.00932	0.4
189.01857	5.6
190.02609	0.6
190.99806	0.4
191.03421	2.5
199.00243	1.0
200.01094	0.8
201.01872	5.7
203.03514	2.0
205.01312	0.5
208.09315	0.4
213.01913	0.7
214.99733	2.6
215.03453	0.4
216.00565	0.8
217.01387	7.5
218.01802	0.5
219.02893	0.7
226.99789	2.0
228.00606	0.8
229.01358	7.9
230.01950	1.2
230.99519	0.5
231.02870	2.3
233.00958	0.8
242.99352	4.8
243.02950	0.4
243.99915	1.2
245.00891	13.6
246.01418	1.0
247.02364	2.4
249.03995	1.9
254.99255	0.5
257.00897	4.9
258.01431	1.1
259.99454	0.6
261.00415	1.6
270.98846	14.5
271.99585	1.7
273.00397	19.5
274.00912	2.8
275.01990	10.4
276.02240	0.7
283.99680	2.6
284.02335	0.6
288.99835	0.7
291.01498	1.2
298.98352	18.3
299.99072	9.1
300.99893	100.0
302.00250	5.1
315.01486	0.8
316.99469	2.1
340.99490	0.5
343.00952	1.1
417.04733	0.6
419.06448	0.4
433.03909	1.2
443.02594	1.2
445.03897	2.0
461.03647	2.9
463.05148	3.5
569.05701	0.6
613.04749	0.9
763.04700	0.5
765.06281	0.6
933.06317	3.7
934.06964	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00200	0.6
81.32209	0.5
95.01276	1.1
95.04891	0.6
98.19793	0.8
105.03324	0.7
117.03343	1.8
123.00774	2.2
125.02375	2.7
129.03261	0.6
133.02856	2.5
145.02856	4.4
147.04407	1.6
157.02812	1.1
158.03601	0.6
161.02393	4.4
163.03903	1.8
166.99794	0.6
169.01337	2.3
171.00786	1.4
172.01576	0.6
173.02382	5.2
175.03915	1.0
177.01811	0.7
185.02368	2.5
187.00317	1.8
189.01843	5.1
191.03455	1.0
200.01082	0.9
201.01933	3.8
203.03384	1.9
205.01326	0.9
213.01814	0.5
214.99736	2.5
216.00583	1.3
217.01392	7.6
218.02138	0.6
219.02846	0.7
226.99844	1.6
228.00505	1.0
229.01396	8.1
229.19815	0.5
230.02116	0.9
231.02922	1.7
233.00902	0.9
242.99283	4.2
243.99913	0.9
245.00906	11.3
246.01277	0.7
247.02423	2.1
249.03957	2.4
254.99188	1.0
257.00879	5.1
258.01321	0.5
261.00427	1.6
270.98849	13.1
271.99405	1.5
273.00406	19.1
274.01031	1.7
274.99014	0.4
275.01965	10.4
283.99686	2.7
288.99728	0.7
291.01422	1.1
298.98343	16.4
299.99051	8.5
300.99896	100.0
302.00223	5.5
312.99945	1.0
315.01614	0.6
316.99451	2.8
343.00891	0.6
389.04843	0.6
417.04977	0.7
433.04193	1.4
443.02438	0.7
445.04156	2.4
461.03329	3.1
463.04999	3.4
613.04779	0.9
615.05280	0.7
765.05444	0.9
933.06354	4.1
934.07831	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
67.82925	0.6
69.23537	1.0
69.23719	2.3
69.24136	6.0
70.53745	0.7
86.33489	0.7
95.01270	1.6
112.80882	0.7
117.03364	2.1
119.04928	1.0
123.00807	4.0
125.02317	3.1
127.54142	0.8
129.96841	0.6
131.37228	0.8
133.02881	2.0
136.72543	0.9
145.02863	5.3
147.04372	1.7
152.94498	0.8
157.02934	1.8
159.00768	1.0
161.02309	4.9
163.00323	1.0
163.03931	1.9
166.99802	2.1
167.96712	0.8
169.01344	2.1
171.00792	1.0
172.01378	0.8
173.02335	4.8
175.03926	1.9
177.01862	2.1
185.02367	2.8
186.90125	0.8
187.00284	2.9
187.04062	1.0
188.00806	0.7
189.01892	5.4
190.02621	0.9
191.03366	2.4
199.00395	1.8
201.01883	6.3
203.03415	2.2
213.01790	1.1
214.99799	3.6
216.00562	1.4
217.01392	5.8
218.01842	1.2
219.02849	1.1
226.99763	1.6
228.00598	1.0
228.24649	0.9
229.01363	8.0
230.01833	1.0
231.02963	2.5
242.99260	5.0
244.00085	1.8
245.00882	12.1
246.01474	1.3
247.02444	3.0
249.04166	1.4
254.99411	1.9
257.00946	5.7
261.00421	2.8
270.98834	18.0
271.99356	2.7
273.00418	22.2
274.00891	3.3
275.01956	12.5
283.99695	2.3
291.01572	1.1
294.11343	0.9
298.98334	22.4
299.99033	12.4
300.99890	100.0
302.00150	8.2
316.99316	3.4
343.00894	1.3
401.18198	4.0
402.18069	1.2
433.04044	1.5
443.02567	1.8
445.03976	2.7
461.03592	3.0
463.04999	3.9
481.14182	0.9
613.04346	1.3
620.65442	0.9
720.59064	0.8
728.05994	1.0
735.88861	0.8
765.06366	1.5
933.05945	4.0
934.07538	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5279
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03331	0.9
71.01253	15.5
71.56400	0.4
71.56834	0.6
72.99184	1.0
73.02802	2.2
75.00739	0.9
81.03345	1.3
83.01274	3.6
83.04898	0.6
84.02055	1.3
85.02830	3.5
87.00755	3.3
89.02320	9.5
93.03342	0.4
95.01285	1.1
95.04890	0.7
96.95892	0.6
97.02821	2.4
99.00780	1.1
101.02319	9.9
113.02329	5.8
119.03391	2.6
121.02808	0.7
125.02326	5.4
125.09603	3.2
127.11227	0.6
143.03415	1.5
145.64070	0.5
147.11662	0.5
149.04448	0.9
161.04486	1.8
163.02293	0.4
163.11197	1.5
165.12776	0.5
169.01366	0.6
171.10202	2.9
179.05475	3.2
181.12157	0.5
191.05484	0.7
191.10716	2.6
201.11145	0.9
207.10179	0.9
209.11748	7.3
210.12163	0.6
221.06584	1.0
223.13306	0.7
225.11189	0.6
226.12082	1.1
227.12779	1.1
235.08185	4.4
241.14398	1.3
243.15956	0.7
245.82401	0.5
253.09317	1.1
259.08197	0.5
273.17072	100.0
274.17392	6.2
277.21716	37.0
278.22055	3.0
287.07755	1.6
297.17258	0.7
300.99826	0.6
305.08820	1.8
305.24982	0.4
323.09744	0.9
379.12421	4.5
397.13464	27.3
398.13821	1.6
415.14600	8.6
533.38519	1.0
630.44690	0.4
653.30194	1.2
671.31104	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	931.454
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99679	6.5
69.03320	9.2
71.01254	96.1
72.01593	2.0
72.99191	10.0
73.02824	7.3
75.00734	3.4
79.95654	2.0
81.03343	3.8
83.01272	9.2
83.04897	8.0
85.02808	13.7
87.00766	16.0
89.02319	31.5
95.01265	7.2
95.04929	3.1
96.95921	3.3
97.02820	15.3
97.06483	5.1
98.20650	4.2
99.00745	4.6
101.02332	31.5
108.02055	3.0
109.02845	2.7
109.06491	4.7
110.03618	6.8
111.00792	4.0
111.04411	30.0
111.08033	8.2
113.02341	24.2
119.03425	10.4
123.04403	6.7
123.08007	4.0
125.02343	18.7
125.09628	10.5
129.01828	2.5
130.84390	2.0
136.05164	2.3
141.01822	3.8
143.03418	6.3
149.09624	3.4
151.11203	5.1
153.09094	3.6
155.10690	6.6
161.04434	7.9
161.09625	14.9
163.11180	5.7
165.09097	3.3
165.12741	5.0
169.01318	6.4
171.08754	3.9
171.10181	61.5
175.02386	2.7
177.09111	2.7
179.05589	9.5
179.10732	20.1
181.12302	3.3
185.11809	4.9
187.09741	3.0
195.10190	3.6
195.13922	2.9
197.11768	23.4
199.09584	3.5
201.11224	6.6
201.29532	2.3
205.08640	15.3
207.10196	7.0
209.11775	39.2
209.13721	2.6
211.13283	8.6
213.11278	7.9
221.06665	4.8
223.09700	82.1
224.10144	2.8
225.11299	8.7
227.12807	10.5
235.08199	10.8
239.12895	3.8
241.10796	7.2
247.20813	6.1
253.09190	3.3
273.00375	2.7
289.18082	5.8
291.19696	48.4
292.20001	3.4
298.98578	2.2
300.99829	6.8
303.00354	2.5
305.08875	2.6
307.19226	5.6
309.20694	100.0
310.21136	8.0
323.18729	4.7
323.22299	4.5
335.23254	2.5
379.12402	7.2
397.13541	54.3
398.13785	6.8
415.14600	25.5
460.02429	2.5
603.22742	9.5
621.24139	13.7
689.33624	3.3
707.34814	5.1
887.43109	2.9
913.44470	25.3
914.45050	7.1
931.45349	21.1
932.45941	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	929.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00501	0.8
69.03318	1.6
71.00896	1.1
71.01260	16.4
71.33501	1.4
72.99194	1.6
73.02824	2.6
75.00763	1.3
81.57510	0.6
83.01258	2.2
85.02821	5.4
87.00753	4.8
88.98659	0.8
89.02321	12.1
90.82276	0.6
95.01267	1.7
95.78364	0.7
96.95903	0.8
97.02841	3.1
98.19914	0.7
99.00738	0.8
99.33607	0.7
101.01678	1.2
101.02324	12.4
103.30525	0.6
106.52737	0.7
113.02326	7.0
119.03409	3.3
125.02310	6.5
130.91884	0.6
132.91766	0.6
139.03851	0.8
143.03372	2.9
143.44777	0.7
161.04497	3.7
167.03481	0.8
167.17630	0.6
179.05504	4.1
183.13814	8.3
193.12335	1.9
200.50439	0.6
211.13342	100.0
212.13681	3.8
217.07130	1.0
221.06619	2.1
235.08189	5.4
253.09241	1.3
259.08292	1.0
277.21716	63.5
278.21985	4.0
287.07556	1.9
305.08667	1.6
323.09882	1.2
369.68564	0.7
379.12445	12.0
380.12830	1.1
397.13522	47.0
398.13754	3.0
415.14487	9.7
591.26660	4.9
594.17883	0.9
607.11432	0.8
609.27588	3.8
610.27466	0.8
657.35181	0.9
675.36188	2.9
791.87189	0.7
946.20709	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23902	45.2
71.01248	12.7
72.02111	3.4
87.00735	5.6
89.02319	8.1
98.20508	8.3
101.02348	9.1
109.22034	3.5
113.45065	4.7
125.02314	7.5
133.05193	3.8
160.98523	3.4
179.05508	11.0
209.11774	100.0
227.12813	28.4
265.06265	3.7
281.24850	59.3
282.25504	4.4
305.08960	5.1
379.12549	18.0
397.13474	76.9
398.13913	8.5
415.14566	13.9
417.01306	4.2
589.24152	5.1
590.25708	5.0
679.38300	10.0
925.49060	24.6
926.49133	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	926.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
64.88026	28.1
70.92457	74.0
114.05553	32.4
127.65331	27.9
131.22647	27.8
131.78561	30.2
132.84076	33.6
149.66631	32.6
152.01123	31.9
167.97314	35.5
172.02461	30.3
193.92654	29.8
209.11812	100.0
226.31062	28.5
255.23018	37.2
550.45343	31.1
565.04297	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
64.42661	0.6
69.03329	1.1
71.01257	16.8
71.57092	0.7
71.57492	1.0
72.99186	2.0
73.02823	2.7
75.00748	1.0
77.66547	0.6
80.99516	0.6
81.03338	0.9
83.01267	1.1
85.02823	4.5
87.00738	3.5
88.98672	1.2
89.02322	11.1
95.01240	1.8
97.02837	2.3
99.00805	1.3
99.04420	0.6
101.02325	12.2
113.02336	8.1
114.74180	0.7
119.03395	3.5
125.02336	5.8
132.01886	0.7
139.03889	1.1
143.03426	2.7
152.99947	0.7
161.04453	2.8
166.88773	0.7
167.14255	0.9
179.05534	3.8
183.13821	7.9
193.12291	1.9
211.13339	100.0
212.13701	3.5
217.07066	0.7
221.06660	1.5
235.08266	5.2
245.06522	0.8
253.09279	0.7
259.08243	1.4
277.21722	49.2
278.21982	3.4
287.07706	1.3
305.08810	1.6
307.81693	0.7
379.12469	8.5
397.13492	36.6
398.13846	2.0
415.14597	8.5
510.56125	0.7
591.26355	6.1
609.27472	6.0
657.35095	0.9
675.36261	1.8
823.98767	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
64.90543	0.7
67.01760	2.2
68.99686	0.7
69.03317	2.2
69.57523	5.5
69.92339	0.6
71.01262	2.3
72.99186	1.0
79.01788	1.0
83.01243	0.9
90.90478	0.7
95.01254	7.4
97.02832	2.7
98.19858	0.8
107.01277	8.9
107.29635	0.9
111.00769	2.3
113.02320	1.1
117.03333	0.7
120.01540	0.7
123.00772	23.6
124.01578	1.5
125.02338	76.9
126.02644	1.5
131.04938	0.8
132.60034	0.7
136.98720	1.4
137.02280	1.0
139.00273	4.7
140.01038	2.7
141.01839	2.2
143.03458	0.9
149.02385	0.9
151.00287	2.4
155.07161	1.0
159.04430	1.3
161.02370	1.1
163.03960	1.3
165.05556	0.7
166.99760	7.8
167.03409	1.6
168.00551	7.7
169.01338	100.0
170.01637	2.2
175.03862	1.5
177.01851	1.4
179.03409	1.3
181.01328	0.7
187.03915	1.0
189.05460	0.8
193.01279	1.0
205.01382	2.6
207.03030	1.0
211.02391	2.9
215.03389	1.0
221.04448	0.9
223.02505	0.9
233.04553	1.9
239.14548	0.7
241.03551	0.8
249.03943	1.1
271.04611	1.5
273.07669	1.7
277.03494	1.7
279.05142	1.0
295.04565	4.6
300.99911	3.2
313.05838	3.8
358.74973	0.7
431.05676	0.7
447.05511	1.6
451.11874	0.8
465.06866	1.6
466.93359	0.7
496.88312	0.8
585.12347	1.2
603.13318	3.9
621.14471	1.1
650.17499	0.8
755.14575	3.9
769.08411	1.1
773.15582	12.3
774.15759	1.0
925.16809	44.8
926.17517	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	925.168
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00201	1.3
67.01743	3.2
69.03326	2.9
71.01256	2.3
72.99208	1.2
73.00324	0.6
79.01778	2.6
81.03336	0.8
82.57914	0.6
83.01264	1.5
85.02808	1.1
87.00774	0.8
87.43189	0.6
93.03339	0.8
95.01265	13.7
96.95854	0.6
97.02836	4.4
98.20559	1.4
105.03326	0.9
107.01270	9.4
109.02850	1.5
109.99986	0.8
111.00764	4.7
113.02316	1.1
123.00774	43.3
124.01625	3.3
125.02340	99.0
126.02723	2.8
127.00263	1.3
127.52052	0.5
131.04919	1.2
136.98729	2.5
137.02368	1.8
139.00253	7.7
140.01050	6.8
141.01842	3.9
143.04912	1.2
145.02838	1.8
146.03575	0.6
147.04422	1.1
149.02309	1.0
151.00281	4.1
151.04033	0.6
153.01831	1.4
154.99820	0.7
155.07057	2.1
159.04448	2.4
161.02390	2.8
162.03163	0.6
163.03949	1.8
165.01825	0.8
166.99771	18.5
167.03412	1.1
168.00568	15.0
169.01341	100.0
170.01697	3.1
171.04509	1.0
173.02328	1.3
175.03871	1.2
177.01845	1.7
177.05508	0.8
178.02547	0.6
179.03444	1.1
181.01349	0.7
187.03949	2.2
188.01155	0.7
189.01859	1.1
189.05479	1.8
190.02570	1.3
191.03368	2.2
192.00604	1.0
193.01401	3.9
203.03503	1.3
205.01340	3.1
205.05025	1.8
207.02998	1.1
211.02411	4.5
215.03447	2.1
217.01379	0.8
217.05037	1.7
221.00827	2.0
221.04430	0.8
231.02875	0.8
233.04469	3.6
235.02319	0.9
249.03995	1.9
251.05482	0.8
259.02557	1.5
261.04013	2.7
262.04602	0.8
263.05591	0.7
270.08966	0.7
277.03448	5.5
279.05200	3.3
295.04581	8.3
300.99844	2.4
301.03116	0.6
303.01144	0.6
307.08231	0.8
313.05798	3.7
314.18210	0.7
358.15579	0.7
370.08377	0.7
385.05582	0.9
403.06461	0.7
422.19058	0.6
429.04440	1.8
431.05780	1.0
433.11404	1.4
436.92581	0.6
447.05551	3.4
451.12555	2.1
465.06738	1.4
549.93457	0.8
585.12476	3.2
587.13531	2.9
603.13519	12.0
604.13800	1.7
617.08063	0.7
711.15729	2.9
755.14655	61.2
756.14880	9.0
757.13568	0.6
769.08734	3.7
770.09985	0.6
773.15771	8.6
774.16150	1.4
925.16620	31.1
926.17023	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	925.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
70.05152	5.2
73.84001	1.2
89.03844	3.5
95.01266	1.5
105.03360	4.1
105.07011	1.1
107.01284	2.6
110.57847	1.1
117.03329	3.5
119.04900	4.7
121.02828	1.7
123.00769	5.0
123.04363	1.9
124.01546	1.7
125.02346	28.1
126.02666	1.1
131.04965	1.8
133.02834	9.5
135.04443	1.5
137.02332	2.1
140.01038	1.7
145.02853	9.6
147.00768	1.4
147.04445	9.5
149.02335	2.8
149.05949	4.2
151.00232	1.4
159.04379	5.0
160.01578	3.1
161.02359	49.1
162.02780	2.3
163.03986	5.6
165.01820	2.0
166.99738	1.8
168.00525	3.5
169.01346	39.1
170.01755	1.6
173.02393	6.4
175.02512	1.9
175.03937	34.3
176.04341	1.2
177.01845	4.4
177.05473	12.3
181.01172	1.3
185.02385	2.2
187.03859	1.3
189.01880	29.1
190.02495	2.3
191.03436	9.7
193.01381	8.3
193.05034	1.6
201.01859	3.5
203.01582	1.6
203.03455	31.3
204.03825	1.7
205.01332	3.0
207.02963	3.0
211.02467	8.4
217.01387	35.6
218.01816	3.2
219.02942	5.8
221.04518	6.5
229.01437	6.3
230.99252	1.1
231.02960	2.6
233.00818	2.8
235.02386	2.1
245.00877	13.3
247.02455	51.3
248.02762	3.9
249.03986	1.3
257.00842	4.7
260.97870	1.8
261.00412	24.3
261.03067	0.8
263.01965	4.5
265.03549	5.0
271.04468	3.5
273.00455	12.3
274.00983	1.5
275.01917	9.4
283.99500	2.7
288.99936	28.1
290.00165	1.2
291.01440	11.3
298.98260	1.8
299.99100	5.2
300.99908	100.0
302.00174	6.5
309.02515	2.0
313.05579	4.2
342.04617	1.3
409.07916	3.5
423.05399	3.9
435.05368	1.9
453.06696	4.6
463.04761	1.7
483.07462	2.1
633.07129	3.4
635.08838	26.3
743.32086	1.2
755.07550	3.1
773.08636	2.7
925.09436	25.3
926.09766	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	925.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
66.25330	0.7
69.52617	5.7
74.43946	0.7
85.15228	0.8
93.03346	1.2
95.01279	0.8
98.20632	0.9
112.49259	0.6
117.03327	1.1
119.04939	2.0
119.19592	0.6
123.00757	2.7
125.02355	7.8
129.03381	0.7
133.02808	1.0
145.02831	2.8
147.04434	3.4
149.02338	1.7
149.05974	1.3
151.00299	0.6
151.03806	0.8
159.04410	2.0
161.02379	5.2
163.03864	2.3
163.05174	0.7
164.01132	1.0
165.01907	1.1
169.01349	7.2
173.02364	3.7
175.03900	7.1
177.01842	2.9
177.05547	1.6
178.02409	0.7
183.62746	0.6
185.02402	4.4
185.03854	0.7
189.01857	4.6
190.02611	1.8
191.03438	6.8
193.01338	2.9
201.01877	3.5
203.03450	7.8
204.03856	0.8
205.01399	1.2
207.02853	1.3
210.37711	0.7
211.02388	0.9
215.03516	0.7
217.01376	4.9
218.02080	1.1
219.02924	9.1
221.00911	9.3
221.04422	4.6
222.01176	0.9
229.01413	7.5
231.02904	2.0
243.54074	0.8
245.00908	9.2
247.02431	20.5
248.02925	1.6
249.04041	1.6
257.00818	4.2
261.00394	2.3
263.01831	1.4
265.03537	1.9
273.00409	8.6
274.01102	0.9
275.01971	8.9
283.99673	3.1
288.99829	1.1
291.01416	5.5
299.99216	3.6
300.99893	100.0
302.00235	7.1
309.02319	1.1
314.00708	0.7
315.01575	0.7
409.07889	1.3
418.64667	0.7
435.05734	1.9
453.06857	1.3
463.05188	2.1
477.06366	0.8
605.07831	1.5
615.06573	1.3
635.08704	1.3
711.08014	1.1
755.07452	1.1
925.09198	10.5
926.09503	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.6059
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51033	1.1
69.51433	3.8
70.02837	0.6
71.01254	25.2
72.99159	3.1
73.02848	0.7
73.92030	0.6
77.53587	0.6
83.01254	1.7
85.02821	5.7
85.06462	1.2
85.68890	0.6
87.00741	0.7
88.03944	1.2
89.02319	27.7
91.52917	0.6
95.01250	2.0
96.95875	0.7
96.99937	0.6
99.39097	0.6
101.02326	16.6
101.90018	0.7
108.08067	1.5
109.06432	0.6
113.02332	9.1
119.03388	12.7
125.02330	1.2
126.09116	3.1
131.03357	1.2
138.09137	1.2
143.03436	3.0
149.04411	1.3
161.04468	2.1
166.99861	0.6
167.10638	2.0
179.05508	8.2
184.09834	0.6
198.09929	0.7
253.25334	7.4
281.24850	2.2
299.25821	3.3
300.99792	1.0
304.20905	0.7
308.50867	0.6
324.29041	2.1
340.28418	0.8
438.35895	17.7
439.36267	0.8
443.94504	0.7
456.36917	7.6
618.42212	100.0
619.42529	9.8
650.25250	0.7
861.44061	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88137	12.0
71.01252	56.5
73.90333	13.5
85.02859	13.2
87.00761	15.2
89.02307	41.2
90.31198	11.6
97.02814	16.5
101.02326	40.9
109.06467	30.0
119.15254	12.2
125.02349	16.4
149.50662	13.4
156.42184	15.0
164.11513	18.1
207.10193	100.0
208.10580	43.4
209.10881	22.3
215.40526	12.6
225.11275	27.0
226.11502	20.0
255.23232	62.6
256.23547	49.1
299.85162	13.6
370.40973	16.1
397.13504	40.2
398.13666	25.7
399.14172	29.4
415.14624	14.8
863.49402	42.7
864.49237	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
68.85448	0.3
69.61320	2.8
71.62401	0.3
95.01235	1.1
97.02837	0.5
107.01265	1.4
111.00745	0.3
113.02283	0.3
116.54308	0.3
117.03335	0.4
120.19378	0.4
123.00761	2.3
125.02345	7.5
129.03317	0.4
131.04958	0.3
131.84950	0.4
135.00751	0.4
139.00249	0.6
140.01047	0.4
145.02815	1.6
147.04399	0.7
152.01050	0.4
157.02829	1.2
161.02377	0.4
163.03905	0.6
169.01352	10.0
169.02773	0.6
171.21291	0.3
173.02332	2.3
175.03830	0.6
177.01936	0.5
185.02399	2.2
189.01871	1.0
190.02603	0.5
191.03465	0.8
201.01883	3.1
203.03481	1.4
213.01892	0.4
216.00684	0.5
217.01357	1.6
219.02937	0.5
228.00607	0.4
229.01385	5.1
231.03011	0.8
245.00847	2.9
247.02502	0.7
248.03198	0.7
249.03902	2.0
257.00845	4.0
258.01590	0.6
263.37405	0.4
267.02640	0.4
273.00360	2.0
274.01028	0.6
275.01978	4.7
283.99606	2.8
285.03970	0.5
298.98645	0.4
299.01752	0.4
299.99213	3.5
300.99890	100.0
302.00204	5.6
419.05875	0.5
451.12576	0.8
463.04901	0.4
753.13171	1.9
923.15143	8.0
924.15601	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	923.522
Annotation	Unknow
Peak:m/z	Relative Intensity
70.54565	1.8
71.00151	4.5
71.01260	13.3
73.02805	2.0
80.96373	1.8
81.03323	2.4
83.04906	4.0
85.02829	3.3
87.00745	3.4
89.02297	9.4
89.76678	1.5
97.02858	3.2
99.00753	2.5
101.02322	11.3
113.02328	4.4
119.03376	3.4
125.02312	5.2
143.03368	2.0
155.11304	2.0
161.04498	2.0
163.11215	5.9
165.12753	2.2
165.91624	1.7
179.05540	3.1
207.10103	3.1
209.11784	100.0
210.12097	6.6
227.12846	9.8
235.08200	4.5
255.20695	2.9
255.23279	53.5
256.23462	3.4
287.07736	1.9
305.08530	1.8
342.30118	1.8
348.24329	1.7
379.12332	8.1
397.13504	40.7
398.13849	2.8
415.14377	7.4
553.94818	1.6
569.32007	1.7
589.25049	3.1
607.25690	1.9
653.37903	2.4
863.48907	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	923.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
65.37568	1.2
67.73656	1.2
70.06072	5.8
93.03327	1.4
96.30476	1.3
117.03276	1.3
125.02318	1.8
133.02849	2.3
145.02852	4.5
147.04420	3.2
161.02347	4.4
163.03896	2.9
169.01353	3.1
171.00781	2.5
173.02309	5.3
174.02797	1.5
175.04027	2.2
177.01851	2.9
187.00160	1.7
189.01920	6.9
190.02621	2.4
191.03455	11.5
199.00273	2.2
201.01865	4.0
203.03476	3.6
214.99768	2.4
216.00618	1.6
217.01392	22.1
218.01924	2.0
219.02856	7.1
226.99855	5.3
229.01360	5.5
242.99323	3.1
244.00108	1.7
245.00868	27.0
246.01540	5.2
247.02460	100.0
248.02780	5.9
254.99324	1.4
257.00964	2.1
261.00470	1.6
263.01926	1.5
270.98853	10.1
271.99600	1.5
273.00403	52.7
274.00745	4.6
275.01883	4.4
288.99792	2.3
291.01498	24.0
298.98325	15.6
299.98996	3.8
300.02701	1.7
300.99893	18.2
302.00293	1.5
305.02893	1.8
312.99692	1.7
316.99448	2.2
417.04584	4.4
435.05673	12.8
551.13037	1.5
616.10376	2.6
717.03381	1.6
719.05200	3.6
735.04773	22.6
736.04730	3.3
737.05798	4.9
753.05304	6.5
887.05927	5.1
905.06714	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	923.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29297	10.8
69.29715	2.5
69.43849	1.3
71.52866	1.1
73.98773	1.1
92.41351	1.3
110.54493	1.1
114.91283	1.2
125.02321	2.0
133.02853	1.9
135.04462	1.9
137.20564	1.2
145.02863	4.6
147.00748	1.4
147.04495	3.0
149.02321	1.8
161.02361	6.5
163.00279	1.3
163.03922	4.2
164.78795	1.2
169.01389	1.7
171.00778	2.3
173.02383	6.0
175.03947	2.2
177.01868	1.8
185.02304	1.7
189.01846	7.0
190.02626	2.4
191.03395	12.2
199.00243	3.0
201.01917	4.6
203.03371	2.1
214.99849	2.5
216.92572	1.4
217.01376	23.4
218.01929	2.1
218.41045	1.2
219.02936	6.4
224.78360	1.3
226.99823	4.5
229.01349	6.0
242.99265	3.5
243.99858	1.5
244.98480	2.7
245.00887	26.8
246.01666	4.4
247.02452	100.0
248.02742	3.9
254.99326	2.2
270.98849	10.2
273.00403	54.4
274.00952	3.4
275.01993	3.0
289.00018	2.4
291.01450	23.7
292.01880	1.7
298.98322	15.8
299.99048	4.7
300.99875	18.3
301.03159	2.2
316.99454	2.3
417.04657	4.3
435.05722	12.7
719.05499	4.0
735.04669	21.2
736.04681	2.9
737.06415	2.9
753.05688	4.3
887.05701	3.5
905.05994	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	921.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
66.52398	2.2
69.03317	2.3
70.18701	2.2
71.01241	13.6
73.02810	2.7
87.00756	3.3
89.02311	8.1
96.95875	2.6
97.02827	7.0
98.19795	4.4
99.00768	17.9
101.02322	7.7
109.06447	3.1
113.02333	6.0
116.92712	3.1
125.02364	7.4
125.09653	4.3
136.05138	2.4
142.02641	2.5
163.11157	6.5
181.12254	15.1
207.10205	50.2
209.11728	4.8
225.11273	67.6
226.11752	2.9
229.38348	3.0
235.08286	3.8
243.12378	24.7
255.23280	64.6
293.36328	3.0
311.57431	2.6
375.85315	2.5
381.94629	2.8
397.13577	17.5
415.14365	3.9
605.24609	17.8
623.25568	7.3
861.48468	100.0
862.49554	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.137
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00207	0.6
69.03339	0.7
69.46437	0.9
69.46768	4.7
71.01261	1.5
71.11384	0.6
71.99740	0.5
74.22813	0.6
80.36938	0.5
95.01278	2.1
96.95889	1.5
97.02843	0.8
99.00782	0.6
107.01302	2.8
109.02855	0.9
112.62069	0.5
115.00211	0.6
117.03345	0.7
119.04903	1.2
121.02840	6.0
123.00806	3.2
125.02339	17.1
129.03435	0.7
133.02846	1.0
137.02319	1.5
139.00275	0.9
141.01802	0.6
145.02898	3.4
146.04468	0.7
147.04440	2.7
149.00153	0.6
149.02313	1.3
150.03217	0.7
151.00237	1.1
157.02815	1.6
159.04422	1.8
161.02344	1.3
163.00273	1.3
163.03926	1.8
165.01822	1.1
166.99817	1.2
168.00613	1.0
169.01332	18.6
169.02780	0.9
170.01654	0.8
173.02356	3.1
175.03928	3.4
177.01852	1.4
185.02374	3.6
187.03918	0.6
189.01854	1.9
190.02652	1.3
191.03485	4.0
191.05023	0.8
193.01433	0.9
195.06703	0.6
200.29376	0.5
201.01886	5.5
203.03442	6.2
205.01329	1.0
209.11810	0.8
212.01009	0.7
213.01923	2.1
214.02649	0.9
217.01329	2.2
218.02161	0.7
219.02924	3.2
227.03432	0.7
228.00647	0.7
229.01378	11.6
230.02042	1.2
231.02893	4.3
240.04303	0.6
243.02962	0.6
244.00050	0.7
245.00879	5.4
246.01723	0.9
247.02460	4.6
249.03932	1.6
255.02927	0.8
257.00912	13.8
258.01675	5.9
259.02353	0.8
273.00482	3.1
274.01257	3.6
275.01978	100.0
276.02252	4.9
283.99704	1.3
291.01428	1.0
299.99213	3.8
300.99905	64.0
302.00253	3.7
315.01404	0.8
319.00946	2.6
327.01440	0.6
343.00916	1.7
383.04028	0.7
417.08435	1.8
479.09949	1.6
505.07990	0.7
523.08997	1.7
567.08112	0.8
569.09412	6.9
570.09131	0.9
675.09802	1.6
719.08881	12.0
720.09216	2.2
889.10730	8.5
890.11578	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01248	1.4
71.58070	1.4
88.96405	0.8
95.01268	2.2
96.95872	2.6
107.01251	4.6
108.36259	0.8
109.02896	1.0
116.92717	1.1
117.03365	1.0
119.04915	1.9
121.02840	5.5
123.00761	3.8
125.02334	20.0
135.04298	1.0
137.02328	2.0
143.04759	0.9
145.02831	2.1
147.04355	2.1
149.02411	0.8
150.03102	1.2
157.02849	1.3
159.04398	1.3
161.02336	1.9
163.00259	1.9
163.03900	1.7
165.01875	1.4
168.00612	0.9
169.01346	21.1
170.01682	1.1
173.02342	3.2
175.03929	2.6
177.01874	2.1
185.02357	3.8
189.01923	2.1
190.02655	1.1
191.03358	4.9
195.06487	1.0
201.01868	6.8
203.03426	8.8
205.01273	1.1
209.00748	1.2
209.11745	1.4
213.01793	2.8
214.02705	1.7
217.01320	3.2
219.02896	2.4
229.01379	12.3
231.02916	4.8
245.00946	4.6
247.02434	4.2
249.03978	1.6
257.00906	13.8
258.01660	4.6
259.02280	1.6
270.98843	1.3
273.00424	3.6
274.01144	4.0
275.01978	100.0
276.02271	5.5
283.99753	1.0
299.98978	5.8
300.99899	69.3
302.00226	4.5
311.02008	1.1
315.01401	1.2
319.00916	2.7
343.00763	2.2
514.39075	1.1
523.08508	1.6
549.06714	1.4
569.09399	8.2
675.09277	2.2
719.08972	12.5
720.09351	1.3
889.11139	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	919.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03319	2.1
70.25561	1.8
70.25946	2.8
71.01256	100.0
71.88322	0.8
72.99180	2.3
73.02824	4.4
75.00761	1.2
81.03339	2.0
83.01258	2.2
83.04907	1.3
85.02827	7.4
87.00767	6.0
89.02316	18.1
93.05460	0.9
95.01276	2.0
97.02842	5.9
98.20472	0.9
99.00747	2.5
101.02334	17.4
109.06491	7.8
110.03579	1.2
113.02329	9.4
115.11751	0.9
119.03399	4.7
123.00757	1.7
125.02316	9.3
125.09609	3.6
126.02643	1.0
127.11162	3.7
137.09642	1.6
141.01915	1.1
143.03409	3.9
155.10690	2.3
161.04485	4.0
163.11220	5.1
165.80988	0.8
169.01297	4.9
171.10185	58.0
172.10509	2.0
179.05545	5.6
181.08632	1.1
181.12314	2.2
185.11720	1.2
189.09129	1.0
197.11916	1.2
199.09692	16.3
199.13359	1.9
201.11255	25.6
202.11667	1.5
202.26852	0.9
207.10201	21.2
208.10498	1.1
209.11823	1.3
217.10750	1.4
221.06657	2.2
225.11272	20.5
225.13541	1.2
226.11649	1.5
235.08167	6.3
243.12282	4.6
253.09273	1.7
277.21729	57.1
278.22043	4.2
287.07816	1.5
300.99854	3.1
305.08792	2.0
379.12378	4.1
397.13504	31.5
398.13840	2.6
415.14542	12.8
579.22882	1.9
597.24115	2.7
605.24774	2.1
623.25128	5.6
678.19452	1.1
857.45081	2.0
883.47089	9.5
884.47571	3.7
901.47870	3.9
919.49323	17.3
920.49780	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
65.58880	0.7
69.03325	2.0
69.44489	6.8
71.01254	100.0
71.04896	0.8
72.01571	0.8
72.99189	2.4
73.02808	4.4
81.03304	1.7
83.01253	2.6
85.02811	6.9
87.00735	5.9
89.02316	14.0
95.01259	2.3
97.02837	4.5
98.20499	1.8
99.00777	2.5
101.02325	18.4
107.01234	1.4
109.06493	5.3
111.04408	1.0
113.02328	10.2
114.00908	0.7
119.03379	5.9
121.02875	1.0
121.38609	0.7
123.00787	1.2
125.02335	10.0
125.09628	2.3
127.11219	1.4
131.03403	1.2
135.08093	1.6
142.02599	1.1
143.03406	2.6
155.10767	0.9
161.04494	3.3
163.11177	4.6
166.99837	1.0
167.03535	0.9
169.01323	5.7
171.10184	44.9
172.10530	1.4
179.05559	4.5
181.12289	2.5
199.09698	10.4
199.13318	2.1
201.11259	13.0
207.10204	18.8
209.11913	0.9
217.10756	0.9
221.06685	2.8
225.11282	13.6
228.46913	0.9
235.08263	5.1
243.12396	2.2
253.09358	1.4
263.07785	1.1
277.21725	62.5
278.21954	4.5
287.07861	1.0
301.00009	3.6
305.08813	1.7
323.10138	1.0
379.12604	3.7
397.13513	35.1
398.13907	3.1
403.28314	1.3
404.28870	1.1
405.26306	1.6
415.14691	7.5
416.14972	1.0
452.03040	1.1
579.22766	0.8
590.67090	0.9
597.23438	1.0
605.24915	1.6
623.25958	1.6
856.44653	0.9
883.46893	7.8
884.47882	1.9
901.48895	2.3
919.49060	9.3
920.49811	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	919.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
70.63371	23.0
71.01250	23.5
88.98671	22.2
89.02337	14.9
96.95944	17.3
99.00770	9.5
101.02323	9.0
103.99467	7.9
117.10823	8.4
123.00724	10.9
125.02293	14.4
129.01840	8.0
147.10402	8.0
163.11150	9.5
169.01295	17.4
207.10158	29.4
209.11774	16.5
225.11299	66.8
243.12317	14.7
277.21808	53.8
397.13446	27.1
440.90399	8.6
605.24603	28.9
623.25305	27.3
623.34772	8.9
883.47040	100.0
884.46558	13.1
919.44562	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
64.28644	1.5
69.03313	2.3
69.28267	12.8
69.28677	2.1
71.01254	100.0
72.99165	2.3
73.02831	5.4
78.95785	2.7
80.96458	1.3
81.03348	1.7
83.01257	2.7
83.04922	1.7
85.02831	7.3
87.00771	6.0
89.02319	17.4
91.13795	1.2
95.01257	2.6
96.95915	1.5
97.02849	5.1
99.00790	3.8
101.02325	18.4
107.01274	2.3
109.06478	8.0
113.02321	10.5
119.03399	5.0
121.02811	1.4
123.00796	3.6
125.02335	17.0
125.09618	3.3
127.11192	4.1
137.09631	1.5
141.01836	1.8
143.03394	4.7
155.10579	1.8
161.04454	3.8
163.11203	5.8
166.99765	2.3
169.01335	12.9
171.10184	55.2
172.10518	3.3
179.05614	6.8
181.08675	2.0
181.12248	3.7
183.57327	1.3
183.76019	1.4
197.11792	1.7
199.09689	14.3
199.13417	2.2
201.02048	1.4
201.11249	26.3
202.11600	1.8
207.10223	23.3
209.11803	2.0
221.06659	3.1
225.11295	21.3
229.01227	1.6
233.12814	1.3
235.08220	4.5
243.12315	5.0
275.02142	1.8
276.35938	1.4
277.21713	53.5
278.22098	5.0
300.99896	10.2
305.08844	2.2
379.12460	3.6
397.13535	27.3
398.13837	1.7
415.14624	10.7
452.02817	2.7
466.02762	1.5
597.24402	1.7
605.24524	3.3
623.25714	3.6
633.89514	1.6
857.44629	2.3
867.83234	2.1
883.46356	7.0
884.47015	3.3
901.48138	3.2
919.49341	15.8
920.49200	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	917.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01246	17.6
71.56876	2.8
72.99166	3.2
75.00748	5.7
83.04903	5.0
83.19459	1.8
85.02824	6.0
87.00749	4.3
89.02325	10.2
94.85689	1.6
95.01262	2.5
97.02821	4.8
101.02328	10.1
113.02331	5.4
119.03420	2.1
125.02364	10.9
129.01825	16.2
135.02896	6.5
161.04433	3.5
163.11217	4.0
169.01361	4.4
179.05528	3.7
209.11780	100.0
210.12129	4.5
225.11166	1.7
227.12837	11.9
235.08154	5.5
259.15536	3.3
277.21713	39.4
277.24503	3.4
278.22070	5.0
300.99963	3.3
323.09961	2.2
379.12445	5.8
397.13519	34.2
398.13611	2.1
415.14514	7.4
506.27670	1.8
525.02203	2.7
607.26477	2.3
907.67975	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	919.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00201	1.9
69.03330	0.9
71.01261	1.6
79.01773	2.4
80.47461	0.9
83.01294	1.0
85.02827	1.6
89.67142	0.9
92.48707	0.9
93.03352	1.1
95.01246	5.2
97.02819	2.4
98.20570	2.3
107.01265	10.4
109.02854	1.9
111.00813	2.3
113.02327	1.5
119.04849	1.1
121.02833	1.4
123.00774	16.4
123.04425	1.2
124.01559	4.3
125.02340	83.5
126.02644	2.4
135.04402	1.1
136.98640	2.4
137.02379	1.9
139.00287	3.8
140.01051	4.7
141.01814	1.7
144.92075	1.0
145.02823	1.8
149.02435	1.1
151.00276	9.3
151.03903	1.7
153.01881	1.1
161.02365	3.3
162.03242	1.0
163.03868	2.3
165.01840	1.5
166.02554	1.2
166.99725	5.6
167.03503	1.5
168.00586	11.0
169.01335	100.0
170.01697	2.4
177.01904	2.1
178.99799	2.7
179.03400	7.0
182.53723	1.0
189.01846	1.5
191.03452	3.3
193.01364	3.9
203.03461	1.5
205.01370	1.8
207.02951	3.0
211.02379	6.3
215.03377	1.3
221.00851	3.1
221.04530	4.0
223.02399	1.6
233.04533	2.7
235.02414	3.4
243.02991	3.1
251.05731	1.2
255.02960	5.3
271.02396	13.3
272.03113	1.3
275.36765	1.1
277.03558	1.9
279.05048	3.3
295.04529	6.9
297.06183	1.3
299.01904	7.0
300.02704	16.6
301.03485	6.0
313.05649	24.7
403.06683	4.8
421.07602	1.2
424.97275	1.0
447.05682	6.5
448.06085	1.2
449.07001	1.9
463.09274	1.0
465.06699	34.1
466.07144	2.6
573.08911	5.1
617.07849	61.1
618.07928	7.3
749.10132	2.5
767.10840	15.1
768.11212	2.8
919.11938	18.4
920.12653	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	917.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
63.76293	2.1
65.33011	2.0
71.01256	20.8
72.96351	2.1
72.99168	4.9
73.02824	4.0
75.00728	2.2
80.96385	2.9
83.04902	7.7
85.02829	6.1
87.00756	6.9
89.02317	15.4
96.95876	6.7
97.02827	4.9
98.19774	6.6
99.00766	2.9
101.02324	19.1
102.06244	2.3
107.01183	2.3
112.55052	2.1
113.02316	7.6
114.74678	2.3
119.03384	5.7
123.96202	2.7
125.02319	7.6
127.50039	2.3
129.01808	7.4
130.02205	2.4
135.02879	6.6
152.05994	2.2
156.66565	2.6
158.98193	2.2
161.04495	3.6
163.11188	3.9
165.12766	2.3
169.01421	4.8
171.10159	5.3
179.05481	4.6
209.11775	100.0
210.12125	6.4
221.11964	2.0
227.12871	15.9
229.48778	3.5
235.08176	7.9
248.55486	2.5
259.15515	9.5
277.21719	66.9
278.22046	5.1
287.07907	3.3
300.99957	3.1
309.24008	2.8
379.12616	10.6
397.13480	48.6
398.14008	3.6
415.14612	12.0
764.91193	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	917.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03317	1.4
71.01261	17.9
72.99178	1.7
73.02824	2.3
79.95587	0.7
80.02525	1.1
81.03329	2.5
83.01260	2.0
83.04903	5.7
84.02050	0.8
85.02832	3.4
85.55058	0.6
87.00745	3.1
89.02319	13.4
95.01267	2.1
95.04915	0.8
96.95905	5.4
97.02834	2.7
101.02325	12.7
109.02890	0.7
109.06499	0.7
111.08038	8.2
113.02331	6.8
119.03409	3.7
125.02345	5.2
125.05991	0.9
127.07555	0.7
131.03389	1.1
135.08035	1.2
143.03407	2.5
153.12880	0.7
161.04471	3.0
163.11198	5.9
165.12761	2.9
165.36623	0.7
169.01320	1.7
169.12357	3.2
171.10117	1.2
179.05484	3.8
181.12254	1.3
191.10632	1.1
197.11772	41.1
198.11992	1.2
199.13329	1.9
203.92053	0.6
207.10216	0.7
209.11775	100.0
210.12122	3.8
211.13345	6.7
221.06610	2.0
225.11198	1.2
227.12846	12.7
235.08211	5.6
249.18724	0.7
253.09323	1.3
263.20178	1.6
265.18069	1.6
273.18567	1.1
287.07648	1.2
291.16354	0.8
291.19662	13.9
292.19998	1.4
293.21255	1.5
300.99811	1.8
305.08795	1.6
309.20715	65.4
310.21085	4.9
323.09851	1.4
325.19873	0.9
379.12479	2.1
397.13501	35.7
398.13684	1.8
415.14609	14.0
443.57510	0.7
607.26044	1.8
689.34253	0.8
707.34485	1.2
870.84882	0.8
917.47485	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4754
Annotation	Unknow
Peak:m/z	Relative Intensity
63.67079	0.4
64.42236	0.4
69.03325	1.5
71.01253	17.2
71.04887	0.7
72.99183	1.0
73.02823	2.6
75.00788	0.4
78.69444	0.5
80.02543	1.4
81.03342	2.6
81.53254	0.5
83.01263	1.7
83.04900	6.8
84.02038	1.3
85.02833	4.9
85.99979	0.5
87.00755	3.8
89.02320	11.3
95.01254	1.7
95.04916	1.5
96.95888	1.2
97.02833	3.4
99.00755	1.4
101.02327	12.7
109.06496	1.0
111.00752	0.5
111.08044	8.9
113.02345	6.8
116.47623	0.4
119.03387	3.6
123.00778	0.8
125.02345	5.4
131.03410	1.1
135.08018	1.1
137.09651	0.6
143.03418	2.4
149.04430	0.6
151.11185	0.7
153.12753	1.3
153.85115	0.5
161.04474	3.0
162.27371	0.5
163.11180	5.6
165.12743	3.6
169.01363	1.7
169.12292	3.5
171.10164	1.0
178.32240	0.5
179.05537	4.0
179.10670	0.5
181.12241	1.4
185.04535	0.6
191.10709	1.0
197.11774	40.3
198.12100	2.1
199.13287	2.2
209.11774	100.0
210.12144	4.9
211.13373	6.9
212.13612	0.5
221.06639	1.8
225.11316	1.0
227.12843	12.5
228.13194	0.7
235.08241	5.0
247.20636	0.6
251.12907	0.7
253.09282	0.9
263.07770	0.7
263.20047	2.8
265.18066	1.3
287.07663	1.0
291.19693	16.8
292.19965	1.4
293.21133	1.1
300.99866	0.9
305.08789	1.1
309.20712	80.6
310.21069	6.1
311.76071	0.5
323.09860	1.1
325.20364	1.2
333.20801	0.6
379.12421	2.7
397.13513	35.6
398.13818	2.2
415.14609	15.4
416.14899	0.7
425.23383	0.6
501.32382	0.5
607.26306	1.6
689.34131	0.8
707.34796	1.7
779.96613	0.5
846.83411	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00197	1.1
69.97050	1.0
69.97460	2.3
83.18671	0.4
88.25140	0.6
95.01231	0.4
97.73732	0.5
107.01263	2.6
109.02815	0.5
116.24427	0.4
120.61713	0.5
121.02857	1.3
123.00791	1.0
125.02335	7.2
128.59927	0.4
148.01595	1.2
151.00296	6.9
163.00206	1.4
169.01338	8.0
178.99774	3.3
194.60353	0.5
226.02675	0.6
227.03471	1.1
229.01355	1.1
237.47530	0.5
243.02951	3.4
244.03436	0.6
246.87589	0.5
254.02205	0.7
255.02982	13.4
256.03336	0.7
271.02451	26.8
272.02936	1.7
283.02606	0.5
283.99506	0.5
299.02264	0.7
300.02747	53.1
300.99857	8.9
301.03476	25.4
301.06970	1.0
302.00388	1.1
302.03882	2.1
303.24799	0.5
313.05661	1.6
398.35928	0.6
463.08786	13.8
464.09076	1.4
472.27798	0.6
615.09906	100.0
616.10248	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	917.105
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00198	4.6
67.05866	0.6
70.15929	0.5
70.22844	0.5
71.01264	0.6
71.37559	0.8
71.37904	0.6
83.01267	3.3
87.86272	0.6
93.03339	1.8
107.01281	9.0
108.02144	0.6
109.02862	1.8
121.02829	8.1
125.02362	2.0
138.01860	2.3
139.03896	0.6
149.02351	1.4
151.00278	38.0
152.00621	0.6
163.00276	1.0
163.03906	1.2
164.30890	0.6
169.01312	5.4
178.99785	15.2
185.02301	1.5
201.01891	1.2
227.03320	0.9
229.01303	0.9
229.04822	0.8
238.60298	0.5
245.00850	0.6
245.04607	1.3
255.02983	1.6
257.00903	0.5
257.04565	0.9
271.02463	1.8
273.00015	0.5
273.04144	1.7
277.32486	0.5
299.99158	1.3
300.02734	2.6
300.99921	21.3
301.03549	100.0
302.00507	1.2
302.03802	5.8
313.05612	3.2
327.10056	0.8
393.30099	0.7
404.01495	0.5
452.08267	1.8
453.08722	1.1
457.36520	0.6
463.08832	2.4
615.09930	26.5
616.10211	2.9
772.84247	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
63.74132	0.3
69.53469	0.4
69.53871	2.0
70.90687	0.3
78.96229	0.3
93.75670	0.3
95.01258	0.4
98.20519	0.6
107.01260	0.4
117.03333	1.2
119.04892	0.5
123.00764	0.6
125.02328	1.8
125.03101	0.3
129.03352	1.2
133.02948	1.3
145.02856	3.3
147.04417	1.2
148.01660	0.3
149.02341	0.3
151.00328	0.6
152.01085	0.3
157.02896	1.5
159.04405	0.6
161.02338	1.1
163.03928	2.0
169.01323	2.2
171.00809	0.7
172.01590	1.5
173.02345	4.5
175.03877	1.0
177.01857	0.6
185.02400	2.7
189.01860	1.2
191.03366	0.5
195.04475	0.4
199.00287	0.4
200.01045	1.3
201.00081	0.5
201.01866	6.3
202.02243	0.3
203.03430	2.1
205.01395	0.4
211.02319	0.5
213.01944	0.7
214.02670	0.6
216.00568	0.8
217.01372	1.4
219.02956	0.4
226.99770	1.1
228.00523	0.9
229.01395	9.6
230.02086	1.7
231.02946	3.5
244.00055	0.9
245.00874	3.1
246.01616	0.4
247.02505	1.6
249.04097	0.9
254.02142	0.4
254.99220	0.6
255.02971	0.8
257.00922	5.4
258.01517	1.0
267.02835	0.4
271.02411	1.3
271.99731	0.5
273.00381	2.2
274.00946	0.9
275.01978	9.6
276.02335	0.3
283.99603	2.8
284.02716	0.5
284.97205	0.3
298.98425	0.5
299.99118	4.5
300.02747	2.0
300.99890	100.0
302.00278	5.9
302.03665	0.4
341.02792	0.4
427.03152	0.4
433.07727	2.2
434.07965	0.4
445.04059	4.3
483.18640	0.5
615.05859	0.8
721.07111	0.5
747.04919	0.8
797.88922	0.3
917.06635	6.0
918.07843	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03324	1.4
70.04189	1.6
70.04597	1.3
71.01254	17.9
72.99188	1.3
73.02828	2.7
75.00742	0.8
77.76093	0.7
80.02558	1.4
81.03326	2.9
83.01273	3.0
83.04897	6.3
84.02036	1.0
85.02824	4.2
87.00758	4.6
89.02319	12.8
95.01271	1.6
95.04890	2.0
96.95892	1.3
97.02827	4.3
97.06459	2.5
98.19876	0.6
98.62568	0.5
99.00739	0.9
99.04391	0.6
101.02325	12.8
109.02848	1.0
109.06483	4.0
111.04366	0.7
111.08058	1.0
113.02319	7.1
119.03394	4.0
121.06467	1.0
123.04395	1.6
123.08070	1.1
125.02335	5.9
125.05977	0.7
125.09632	3.4
131.03412	0.6
135.08051	2.2
137.02289	0.5
137.09624	2.2
141.01787	0.6
141.12709	0.6
143.03381	2.4
147.11717	0.6
151.07605	0.6
161.04507	2.7
163.11209	9.5
165.12807	3.5
169.01329	1.4
169.09760	0.6
171.10172	1.7
175.02417	0.6
179.05518	4.4
181.12276	2.0
185.11772	3.9
191.10699	1.8
191.14333	3.0
197.11781	3.9
199.51955	0.5
207.10222	12.0
209.11771	100.0
210.12082	4.3
211.13339	2.7
217.16081	0.7
221.06602	1.8
225.11299	6.9
227.12836	12.5
228.13206	0.9
235.08301	2.9
236.08549	0.7
237.11319	1.0
245.19072	7.6
251.13145	0.7
253.09311	0.7
263.07498	0.6
263.20178	2.1
271.17108	1.5
287.07608	1.1
289.18103	31.5
290.18460	2.3
291.19666	2.9
300.99933	1.7
305.08801	1.1
307.19156	31.7
308.19495	3.1
309.20755	7.4
310.21063	0.9
323.09634	0.7
379.12451	2.1
397.13501	25.1
398.14035	1.5
415.14557	10.5
536.34131	0.7
605.24957	1.0
607.26294	1.7
623.25195	0.9
687.32196	0.6
705.33881	1.5
785.13306	0.6
799.37286	1.3
879.44647	1.3
897.45715	1.5
909.57672	0.6
915.46375	6.6
916.47247	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	1.9
71.01255	16.5
71.04874	0.5
72.99172	0.7
73.02818	2.3
75.00745	0.7
78.95760	0.6
79.73631	0.5
80.02547	1.5
81.03335	2.8
83.01286	2.4
83.04899	5.7
84.02045	0.8
85.02821	4.0
87.00759	4.5
89.02316	11.3
93.03328	0.7
95.01265	1.4
95.04903	1.6
96.95852	1.1
97.02831	2.6
97.06476	3.9
99.00774	1.5
101.02326	11.8
107.01291	0.9
109.02783	1.1
109.06456	0.9
111.08035	2.3
113.02340	6.2
119.03371	3.2
123.00783	1.7
123.04438	0.8
123.08028	0.9
125.02335	8.6
125.05897	0.5
125.09611	1.2
131.03421	0.5
135.08029	1.3
137.02319	0.7
139.03934	0.7
141.01764	0.6
143.03392	2.3
151.11200	3.6
153.09096	0.6
153.12744	1.4
155.10666	1.1
161.04462	2.2
163.11220	5.8
165.12810	5.7
166.99811	0.5
167.10760	0.6
169.01384	3.3
169.12262	1.4
171.10226	1.0
179.05565	5.0
179.10695	1.7
181.12268	4.7
183.13806	2.1
185.11867	0.6
191.10730	2.2
191.14323	1.2
197.11809	0.9
199.13335	0.9
205.12306	0.9
207.10158	1.0
209.11774	100.0
210.12086	4.4
211.13367	3.1
221.06619	1.1
224.10258	0.6
225.11288	1.9
227.12859	23.0
228.13150	1.3
229.52408	0.7
235.08131	3.1
239.09126	1.0
245.19095	5.1
253.09227	0.9
263.07782	0.9
263.20139	6.5
271.16910	1.0
279.19803	1.1
287.07700	0.8
289.18121	8.5
290.18436	0.7
291.19757	0.7
300.99884	1.3
305.08603	0.8
305.17596	0.6
307.19150	31.2
308.19351	1.7
309.20694	1.8
379.12531	1.4
397.13486	21.2
398.13898	1.1
415.14532	7.6
589.25128	2.6
607.26031	7.8
608.26520	0.7
627.49866	0.5
687.32239	2.1
705.32813	3.3
799.37811	3.0
817.38519	2.6
818.39276	0.8
879.44415	0.6
897.44867	1.3
915.46216	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	915.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	2.8
71.01257	31.0
71.20121	1.8
71.20455	1.1
72.99192	1.2
73.02817	4.7
80.02552	2.2
81.03345	5.3
83.01251	4.6
83.04908	8.3
84.02041	1.3
85.02825	7.8
86.59867	1.1
87.00751	5.7
89.02315	19.8
93.03323	1.5
95.01280	1.7
95.04916	2.4
96.95883	1.6
97.02837	10.1
97.06466	3.2
99.00751	2.2
101.02325	18.8
109.06482	16.3
110.91187	1.0
111.00760	1.5
111.04444	1.9
111.08046	6.4
113.02332	10.7
114.87495	1.1
119.03407	6.3
121.02860	1.6
121.06516	1.7
123.00748	1.3
123.04426	2.6
123.08030	1.9
125.02342	10.7
125.09575	2.9
127.07517	1.2
131.03430	1.9
135.08034	3.7
136.05194	1.4
141.01790	1.2
142.02638	1.5
143.03387	3.3
151.11148	3.1
159.34746	1.0
161.04475	4.8
161.09598	2.2
163.11194	17.8
165.12741	5.8
169.01344	2.4
169.12206	3.6
171.10191	1.5
175.02364	2.0
179.05536	6.1
179.10727	2.4
181.12308	6.2
183.13828	1.3
185.11736	2.0
191.10706	3.1
191.14304	2.2
197.11771	32.3
198.12213	1.2
199.13350	1.4
207.10210	46.6
208.10628	1.7
209.11775	100.0
210.12054	4.3
211.13347	9.6
213.61743	1.1
221.06598	3.6
223.09654	1.4
225.11270	27.3
226.11557	1.2
227.12827	17.7
235.08234	8.1
237.11032	1.2
245.19072	6.2
253.09271	1.3
262.52673	1.2
263.20108	5.8
271.17322	1.2
287.07632	1.6
289.18094	23.4
290.18512	1.7
291.19635	7.7
293.21210	2.3
300.99792	2.5
305.08716	1.7
307.19138	31.3
308.19608	3.0
309.20743	45.8
310.21042	4.6
379.12515	2.8
397.13528	41.5
398.13788	1.9
415.14633	17.2
529.90845	1.1
605.24384	3.3
607.26172	3.8
623.25482	4.5
687.31964	1.3
705.33081	3.8
707.34650	2.4
768.98859	1.1
779.53650	1.2
799.37280	2.0
817.38330	1.9
897.45642	2.5
915.27850	2.1
915.45996	37.3
916.46527	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	915.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00188	0.7
104.89774	0.6
107.01269	1.7
125.02312	1.6
132.62352	0.5
138.01692	0.5
139.58992	0.5
148.72769	0.5
151.00275	7.9
163.00291	1.3
169.01295	2.1
178.99782	4.9
197.34879	0.5
199.03981	0.9
215.03409	0.5
226.02650	4.1
227.03435	2.1
229.69708	0.7
243.02934	9.8
244.03400	0.8
254.02147	4.2
255.02905	4.6
268.95547	0.6
271.02469	44.8
272.02927	3.7
277.10736	1.4
284.03271	0.8
285.04138	0.6
293.78775	0.6
298.98743	0.6
299.02072	2.1
300.02740	46.1
301.00018	0.9
301.03400	12.0
315.01288	0.9
343.04321	1.1
367.00943	0.6
451.16473	2.5
463.08817	100.0
464.09137	6.6
597.09521	0.8
599.10339	2.8
656.58411	0.6
665.07928	0.6
868.51038	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03339	1.1
71.01257	17.2
71.04200	1.5
72.99191	1.3
73.02818	3.2
75.00764	0.7
80.02546	1.1
81.03330	2.4
83.01261	1.5
83.04902	5.3
84.02030	0.6
85.02818	4.1
87.00748	3.7
89.02318	14.3
95.01277	1.8
95.04893	0.7
97.02835	1.5
99.00745	0.9
101.02327	12.4
113.02338	7.0
119.03413	4.2
125.02346	5.3
127.99310	0.6
130.37108	0.5
135.07988	0.8
139.03929	0.7
143.03410	3.0
149.04451	0.7
161.04468	2.1
163.11188	3.7
165.12778	2.4
167.03380	0.9
179.05470	3.0
181.12302	0.7
188.89182	0.6
191.10713	1.3
209.11774	100.0
210.12131	4.0
217.07166	0.8
221.06671	1.5
227.12851	9.8
235.08177	5.2
237.14967	1.6
253.09213	1.0
255.23328	3.6
259.08200	0.6
277.21680	4.8
287.07709	1.7
305.08774	1.9
305.24854	53.1
306.25183	3.3
319.26581	0.7
323.09790	0.7
354.50232	0.5
379.12445	4.6
397.13501	37.6
398.13846	2.5
415.14569	10.8
850.04620	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
64.27892	1.7
65.00212	1.9
67.33604	1.7
70.15261	8.4
76.34936	2.0
81.95095	1.6
100.92722	1.7
107.01278	2.9
123.00777	2.5
125.02320	3.3
132.38765	1.6
143.30035	2.1
151.00259	5.1
169.01364	4.4
174.70006	2.0
193.58846	1.7
221.97665	1.7
227.03448	10.6
243.02979	11.0
255.02979	28.8
271.02448	31.0
272.03003	3.3
283.02509	4.1
284.03223	11.6
285.04031	6.8
299.99420	3.1
300.02737	43.1
300.99817	6.2
301.03458	20.2
383.26813	2.2
443.60846	2.0
447.09418	19.2
463.08731	100.0
464.09152	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	913.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03325	0.8
70.86272	0.5
70.86622	0.7
71.01257	12.6
72.99194	0.8
73.02829	2.1
75.00761	0.7
77.12368	0.3
78.95803	0.4
80.02557	1.4
81.03336	1.2
83.01265	1.5
83.04916	1.1
84.02020	0.4
85.02833	3.2
87.00742	2.8
89.01761	0.5
89.02319	10.7
95.01265	0.9
95.04888	0.4
97.02834	2.2
99.00776	0.9
101.02325	9.3
109.06487	0.6
111.04417	0.4
112.11225	0.3
113.02322	6.0
119.03426	2.7
123.04455	0.3
125.02348	5.1
129.01784	0.5
131.03386	0.5
133.04967	0.5
139.03883	0.4
141.01894	0.4
143.03407	2.2
145.04919	0.4
149.04463	0.5
161.04451	2.5
163.11162	0.7
169.01373	0.5
179.05505	3.4
191.14401	0.6
193.15918	1.4
207.10310	0.4
209.11777	17.4
209.15381	0.9
210.12114	1.4
217.07344	0.4
219.13898	1.1
221.06613	1.3
227.12889	2.4
235.08226	4.9
237.14926	100.0
238.15266	5.8
251.16418	0.6
253.09233	3.1
255.15990	11.5
256.16302	0.8
277.21719	61.3
278.22098	4.4
279.15826	0.9
287.07697	1.4
305.08777	1.3
323.09827	1.0
379.12427	4.0
397.13507	25.3
398.13788	2.2
415.14548	7.7
416.14682	0.8
635.28619	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00207	0.1
68.59531	0.1
69.53204	0.8
72.74570	0.1
75.62884	0.1
88.27165	0.1
92.78602	0.1
107.01219	0.2
107.29329	0.1
117.03304	0.3
121.02884	0.2
129.03386	0.3
133.02829	0.2
145.02881	1.1
147.04402	0.3
151.00270	0.8
157.02858	0.6
161.02354	0.2
163.00211	0.2
163.03925	0.3
169.01334	0.1
173.02348	1.3
178.99823	0.5
185.00856	0.1
185.02364	2.4
189.01895	0.5
191.03506	0.2
199.00368	0.2
200.01141	0.3
201.01865	1.9
213.02000	0.3
217.01405	0.4
226.99815	0.5
227.03418	0.1
228.00504	0.3
229.01369	3.4
240.00644	0.2
243.03029	0.7
244.00169	0.2
245.00882	1.2
254.99214	0.2
255.02936	1.4
257.00858	1.7
271.02515	3.7
271.05487	0.2
272.02975	0.3
273.00565	0.3
273.03821	0.1
283.99628	2.6
285.00150	0.2
299.99142	2.5
300.02774	7.9
300.99902	100.0
301.02960	3.9
302.00256	5.6
302.03619	0.2
323.43869	0.1
609.14612	18.4
610.15051	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	907.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
66.02505	0.5
71.01256	2.5
71.57930	0.8
71.58363	0.6
72.99175	0.6
76.17064	0.6
80.36590	0.6
83.01286	0.7
85.02823	1.5
87.00753	0.7
89.02321	1.1
95.01263	2.3
96.95911	0.9
97.02843	0.9
100.87526	0.6
107.01281	5.0
115.00327	0.8
117.03371	0.8
119.04900	0.8
121.02842	6.5
123.00777	5.1
124.01586	0.7
125.02349	19.5
133.02843	1.0
135.04385	0.7
137.02370	1.1
139.00285	0.7
144.54204	0.5
145.02864	2.5
147.04420	2.1
149.02327	0.6
151.00269	1.5
155.06937	0.6
157.02904	1.7
159.04430	2.4
159.13011	0.5
161.02356	1.9
163.00288	1.8
163.03929	2.0
165.05507	0.7
166.99763	1.9
168.00529	1.0
169.01346	22.3
173.02365	3.0
174.03137	0.6
175.02400	1.5
175.03940	3.6
177.01855	2.2
179.05582	0.6
185.02370	4.3
186.02834	0.7
187.03938	1.1
189.01901	2.4
190.02649	1.4
191.03424	4.9
193.01286	1.1
201.01880	6.4
202.02611	1.2
203.03448	8.6
204.03688	1.0
205.01266	1.1
209.11760	5.6
213.01831	1.9
216.00517	0.6
217.01375	2.7
218.02240	1.4
219.02972	3.5
227.12798	0.8
228.00732	0.9
229.01373	12.5
230.01944	1.7
231.02950	5.3
241.05086	0.7
245.00859	6.4
247.02437	4.5
249.04005	2.1
257.00900	12.5
258.01596	6.1
259.02228	0.8
267.02957	0.9
270.99234	0.7
271.02502	0.9
273.00452	4.9
273.03198	0.7
274.01144	3.8
275.01987	100.0
276.02295	5.8
283.02505	0.8
283.99680	1.7
291.01181	0.6
293.03070	2.1
297.03879	0.7
298.01355	0.6
299.99271	4.5
300.99915	70.5
302.00284	5.1
311.02094	1.0
311.05490	1.0
315.01514	1.4
319.01086	3.1
339.04968	0.9
343.01215	1.6
397.13507	1.4
417.08307	2.0
429.08270	1.3
479.09619	1.5
505.07947	1.4
523.09033	2.6
549.07111	1.5
567.07959	1.1
569.09363	8.2
570.10065	0.8
628.33368	0.7
675.09985	1.7
718.97485	0.5
719.08838	12.1
720.09589	2.4
889.10956	6.2
890.11353	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	907.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01782	2.1
68.70261	2.2
69.03331	3.3
69.31224	21.0
69.31545	3.8
71.01271	6.6
71.43966	2.0
73.02818	2.1
79.01736	2.4
81.03333	2.4
82.95937	2.2
83.01271	2.9
85.02809	2.3
87.00726	2.4
91.01793	3.2
93.03335	4.4
95.01289	5.4
97.02835	4.9
98.19735	4.1
99.00771	4.3
103.05430	3.7
105.03356	4.2
107.01275	7.7
107.04911	3.7
109.02844	6.5
109.03960	1.6
111.00768	5.0
113.32436	1.9
115.05389	3.0
117.03312	2.2
119.01286	3.6
119.04934	7.2
121.02854	19.1
121.06474	4.6
123.00793	16.6
124.01569	3.4
125.02351	58.7
131.04947	7.8
133.02824	4.4
133.06516	9.7
135.04393	5.3
137.02353	26.7
138.03069	2.1
139.00244	3.6
139.26421	2.0
143.04893	3.1
145.02893	6.7
146.03667	4.1
147.04408	14.6
149.02357	20.7
149.06058	10.0
151.00290	4.0
151.03928	8.0
158.03621	2.5
159.04425	21.9
161.02357	5.4
161.05989	16.5
162.03149	3.8
163.00272	13.9
163.03925	22.1
164.01022	2.5
165.01819	9.7
165.05493	2.5
166.99754	2.4
168.00595	5.7
169.01352	65.9
169.02802	4.5
170.01653	2.5
173.02304	2.8
174.03107	4.5
175.00336	1.9
175.02505	1.7
175.03926	40.7
176.01006	2.3
176.04492	3.4
177.01866	18.7
177.05489	19.4
179.07045	2.5
185.02411	2.4
187.03970	22.1
189.01898	6.9
189.59265	1.8
190.02599	17.2
190.99831	10.5
191.03444	14.6
192.00566	2.6
193.01382	37.6
193.05077	3.3
201.01878	4.3
203.03444	76.0
204.03989	2.9
205.01407	19.5
205.05009	92.9
209.00911	2.4
213.01846	3.4
216.00549	2.3
217.01408	3.7
218.99324	8.6
219.02948	8.4
221.04504	17.1
229.01355	5.9
231.02953	57.9
232.03290	3.5
233.01094	2.0
235.02309	2.7
237.00400	13.8
247.02444	37.6
249.04016	35.8
257.00906	8.1
265.03506	7.2
273.00253	2.4
275.01984	100.0
276.02243	5.5
291.01385	4.7
293.03030	40.6
294.03305	2.0
300.99911	13.5
301.03043	2.5
309.02515	2.5
319.00940	45.2
320.01379	3.2
337.02011	93.7
338.02118	5.1
399.07352	3.4
417.08151	6.7
445.04123	3.4
567.07709	3.2
569.09174	10.5
585.08826	2.6
587.10327	5.5
607.78021	2.2
637.08441	6.6
647.00818	2.1
649.11938	2.1
693.11456	4.2
711.11670	3.5
719.08826	8.8
737.10278	12.6
755.11084	7.0
807.11597	2.8
819.13782	3.8
863.13690	3.3
889.11102	8.5
907.11658	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	905.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	28.1
71.32426	7.2
71.56563	15.5
71.76145	6.4
83.01277	7.2
87.00777	8.2
89.02309	11.0
125.02312	10.9
171.10152	14.9
179.05559	7.7
188.68802	7.2
209.06633	7.9
209.11629	10.3
211.13338	100.0
225.11049	7.5
255.23315	6.9
277.21783	51.9
281.24896	10.2
313.93167	8.3
368.04996	8.7
379.12457	19.9
397.13611	68.0
445.06506	7.6
591.27155	8.3
644.26898	7.2
657.35382	7.3
905.47577	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
71.33986	1.4
105.03374	0.8
117.03379	1.1
119.04906	1.0
121.26220	0.6
123.00764	1.0
125.02357	4.1
129.03412	0.7
133.02843	2.1
135.04457	0.8
141.03442	0.6
145.02858	4.0
147.04417	2.3
149.02390	0.7
157.02818	0.8
161.02383	3.6
163.03938	2.7
164.01057	0.8
169.01367	4.8
173.02325	4.4
174.98958	0.6
175.03925	2.5
177.01825	2.0
185.02341	2.2
189.01819	4.5
190.02617	2.3
191.03447	8.5
200.01044	0.7
201.01837	3.4
203.03476	1.8
205.01440	0.8
214.60583	0.7
217.01393	8.9
218.01999	1.2
219.02943	4.4
228.00600	0.8
229.01440	5.5
231.02908	1.4
233.00888	1.4
245.00916	9.6
247.02469	27.9
248.02950	1.9
249.04022	1.2
257.00916	2.3
261.00385	1.9
273.00446	17.8
273.03409	1.4
274.00870	1.6
275.01959	6.2
283.99625	2.3
291.01465	4.0
299.99161	2.4
300.99905	100.0
302.00238	5.0
435.05576	4.2
518.98846	0.6
605.08624	0.6
737.06598	1.4
907.08893	6.7
908.09790	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02270	2.8
65.00192	3.6
67.01730	4.5
69.03332	2.7
69.31152	9.7
69.31569	5.1
71.01262	4.4
72.99183	1.5
73.51923	1.6
79.01746	2.5
83.01251	2.7
85.02882	1.4
87.00764	3.4
90.79984	1.2
91.62574	1.4
95.01259	8.8
96.95901	6.1
97.02829	5.1
101.02313	2.6
103.68790	1.4
107.01285	19.1
111.00768	4.9
121.02834	3.4
123.00770	22.1
123.04441	1.4
124.01572	2.9
125.02337	82.8
125.72611	1.3
126.02663	2.6
135.00798	1.7
137.02263	1.7
137.29958	1.5
139.00313	6.5
139.03908	1.7
140.01048	5.5
141.01823	1.7
148.01546	1.8
149.02364	3.0
151.00278	21.5
153.01854	1.5
155.07011	3.2
161.02333	4.5
163.00334	3.8
163.03894	1.7
165.01929	1.6
165.05473	1.4
166.02609	1.5
166.99739	4.3
168.00595	9.9
169.01335	100.0
170.01712	4.6
173.02446	1.5
175.02417	2.5
177.01938	3.9
178.99733	6.6
179.03384	5.7
191.03450	2.4
193.01393	2.8
199.04024	2.3
203.03355	2.2
205.01434	1.8
207.02869	1.8
215.03371	2.4
226.02617	1.9
227.03448	3.1
233.04465	2.0
235.02379	3.1
243.02972	10.4
244.03888	1.5
250.29497	1.6
254.02206	2.6
255.02988	23.9
256.03348	2.1
271.02472	63.8
272.03076	4.7
295.04544	3.4
299.01971	18.8
300.02750	83.2
300.99866	7.5
301.03479	27.9
313.05649	2.4
433.11179	4.1
442.18631	1.8
449.06808	1.9
451.12378	24.2
452.13345	1.9
559.14429	5.7
601.15387	4.0
603.13550	41.1
604.14063	4.8
608.67273	1.5
735.15186	1.5
753.16779	23.4
754.17114	2.3
905.17737	53.0
906.18182	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	905.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00208	1.2
71.01274	2.0
71.58177	2.3
91.44726	0.7
95.01286	3.8
96.95869	1.4
97.02865	0.8
101.02361	0.9
107.01270	3.7
111.00713	0.8
112.22150	0.7
117.03334	2.9
119.04910	2.0
121.02874	4.1
123.00789	7.9
125.02338	14.7
129.03368	0.8
133.02859	3.8
135.04434	1.5
137.02348	2.0
141.01895	0.9
145.02876	8.2
147.04456	1.9
149.02348	1.0
151.00279	1.3
157.02846	1.1
161.02382	7.7
163.00215	1.5
163.03914	4.2
165.01804	0.9
166.99747	2.7
167.14101	1.0
168.00459	1.3
169.01328	14.8
173.02345	8.5
174.02705	1.0
175.03870	1.9
176.01056	1.2
177.01833	3.3
182.03592	0.8
187.00308	1.9
189.01862	10.4
190.02576	2.7
191.03403	6.1
193.01369	1.2
201.01871	6.2
203.03383	2.4
205.01335	0.7
206.84949	0.9
209.00926	1.0
213.01825	0.9
214.99837	2.5
216.00433	2.0
217.01346	13.8
218.01855	1.0
219.02901	3.3
221.04391	0.9
226.99741	1.3
228.00674	1.3
229.01341	5.5
231.02835	1.1
235.02299	0.9
235.17653	0.8
242.99287	3.1
244.00089	1.7
245.00893	39.5
246.01431	1.9
247.02452	17.2
249.04039	1.0
251.03488	1.1
257.00854	1.8
258.01578	1.0
261.00482	3.8
263.02020	0.8
270.98865	12.3
271.99512	1.5
273.00415	100.0
274.00818	5.3
275.01993	8.3
283.99692	1.0
288.99744	1.3
291.01645	3.8
298.98331	18.7
299.01498	1.6
299.99033	4.7
300.99890	41.0
302.00162	4.5
316.99429	16.1
348.99741	0.8
417.08084	1.0
505.08408	1.1
523.09235	1.5
523.21564	3.9
524.22046	1.0
549.06628	1.3
567.07660	1.2
569.09241	3.8
642.30768	1.0
701.08044	1.9
719.09314	8.4
887.10663	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
63.46229	0.6
65.77710	0.6
67.54825	0.6
77.71820	0.5
94.87183	0.6
98.19706	1.0
104.05615	0.7
114.63745	0.6
117.03367	2.0
119.04904	1.6
121.02814	0.6
125.02357	1.5
129.03368	0.9
133.02856	1.9
135.04399	0.8
143.01273	1.2
145.02869	4.9
147.04408	2.2
148.04880	0.6
157.02829	1.1
159.04353	0.8
160.01547	0.7
161.02353	5.2
163.03941	4.1
164.79919	0.7
169.01265	0.9
171.00821	2.9
172.01556	0.7
173.02365	5.9
175.03918	2.3
177.01904	0.9
185.02365	1.6
187.00262	2.1
189.01840	8.9
190.02594	2.2
191.03441	10.1
199.00291	3.5
201.01846	5.9
202.02318	0.7
205.01308	0.8
214.99843	1.9
216.00584	0.7
216.63977	0.7
217.01379	24.3
218.01979	1.9
218.18666	0.6
219.02905	6.4
226.99820	4.0
229.01338	4.2
229.69545	0.8
231.03152	0.7
242.99364	3.3
244.00075	0.7
245.00903	26.0
246.01659	3.3
247.02454	100.0
248.02827	4.8
254.99329	1.4
257.00934	1.2
260.54593	0.7
270.98871	11.5
271.01907	1.2
271.99496	1.2
273.00409	54.0
274.00803	3.0
275.01999	1.7
282.33054	0.8
285.00626	0.8
288.99857	1.2
291.01443	31.3
292.01721	1.4
298.98325	21.3
299.98978	5.4
300.99973	9.2
302.00208	1.0
315.01440	1.2
316.68359	0.7
316.99420	1.9
333.02258	1.0
343.00858	0.8
393.04480	1.1
399.03384	1.1
415.03421	0.9
417.04611	4.8
433.03989	0.9
435.05637	21.1
436.05927	1.6
453.06912	1.3
719.05316	6.1
725.06421	1.0
735.04773	23.1
736.04968	2.5
737.06860	2.4
753.05585	3.9
887.06036	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	903.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03343	1.1
71.01257	12.9
71.56686	1.4
72.03569	0.9
72.99194	1.0
73.02839	2.3
80.96407	1.0
81.03318	2.0
83.01263	2.6
83.04898	3.9
85.02824	3.8
87.00765	2.7
89.02332	9.6
94.82742	0.9
95.01263	2.1
96.95895	7.6
97.02816	2.0
99.00684	0.9
101.02326	9.9
107.01279	1.2
113.02341	4.1
116.92726	8.1
117.92747	1.3
119.03414	2.1
123.00779	1.2
125.02341	12.8
143.03430	1.8
161.04428	2.7
163.00256	1.5
163.11171	4.1
165.12744	2.2
166.99818	2.2
169.01331	13.3
171.10191	1.3
179.05519	2.6
181.12279	1.3
191.10725	1.0
195.13828	11.6
197.11903	2.2
201.01791	1.1
209.11765	75.6
210.12070	2.8
211.13391	5.7
212.13733	1.5
221.06648	1.0
221.89890	0.9
227.12842	10.0
229.14648	1.1
235.08202	2.9
253.09267	1.2
273.00354	1.1
275.02194	1.1
277.21707	11.0
293.21219	1.0
295.22784	100.0
296.23099	7.5
299.99146	1.6
300.99973	7.7
302.00452	1.6
305.08707	1.5
309.20773	1.8
310.21042	1.0
379.12268	1.4
397.13464	27.3
398.13861	2.5
415.14590	10.5
416.14450	1.3
467.03635	1.5
487.34332	1.1
523.52686	1.1
720.49658	1.2
903.47699	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	18.7
72.99185	5.1
73.02840	5.9
83.01232	2.5
83.04889	4.0
85.02812	7.6
87.00731	7.4
89.02311	13.6
95.04910	2.7
96.95895	52.0
97.06454	3.4
98.95456	9.8
101.02326	13.9
108.14147	2.3
111.08007	4.7
113.02311	5.3
116.92774	14.7
123.00777	3.4
125.02312	7.8
130.78767	2.5
141.01715	2.6
151.11177	12.7
163.00177	3.8
169.01332	8.6
169.12262	47.5
171.10164	4.9
185.11693	6.7
197.11786	19.7
209.11795	20.5
210.12094	3.4
211.13341	8.9
213.11281	7.9
227.12692	3.0
229.40359	2.7
241.14360	6.5
253.09056	4.1
263.20383	2.8
291.19714	6.2
293.21106	4.8
299.99200	4.3
300.99847	11.0
309.20697	12.5
310.21094	2.8
327.21735	10.6
341.23175	6.5
397.13547	8.3
398.14297	2.6
415.14380	3.0
513.23737	2.7
672.30841	2.7
850.25867	2.6
903.46063	100.0
903.63776	5.1
904.46539	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	903.126
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00194	0.8
67.01768	1.0
68.99696	0.7
69.03326	2.4
69.30782	5.4
71.01247	3.0
72.99164	1.1
79.01789	1.5
81.03352	1.2
83.01278	0.9
85.02823	1.6
87.00767	0.8
91.10823	0.5
93.03344	1.0
94.09515	0.5
95.01270	7.1
97.02849	2.9
99.03868	0.5
101.02346	1.2
107.01273	8.7
107.04924	0.8
109.02845	1.4
111.00780	3.1
113.02319	1.5
117.03397	1.1
117.74253	0.6
119.04921	1.2
121.02834	0.8
123.00782	19.3
123.04414	0.7
124.00175	0.6
124.01597	3.2
125.02341	84.7
126.02680	2.3
127.00269	1.2
133.02850	0.5
135.04420	1.3
136.98686	1.7
137.02365	2.2
138.03192	0.5
139.00270	5.1
139.03828	0.6
140.01056	5.5
141.01878	1.3
145.02821	1.5
147.04474	0.6
149.02303	2.5
150.03107	0.6
151.00302	5.8
151.03914	1.3
153.01857	1.5
154.75641	0.5
156.23489	0.5
159.04424	0.8
161.02390	3.8
162.03111	0.5
163.03966	1.6
165.01836	2.3
166.02625	1.4
166.99782	5.3
167.03453	1.4
168.00571	9.4
169.01343	100.0
170.01718	2.5
173.02469	0.7
175.03851	0.6
177.01857	1.3
179.03432	6.8
181.01254	0.6
187.03957	1.5
189.01820	0.9
190.02641	1.2
191.03387	3.0
193.01390	4.1
193.05023	1.0
195.02951	0.8
205.01381	1.6
205.05173	1.3
206.02097	0.9
207.02975	2.7
211.02426	5.3
215.03455	0.6
221.00935	1.6
221.04497	3.3
223.02339	1.4
227.03426	1.6
229.05037	1.3
233.04437	1.7
235.02504	3.5
241.03484	2.0
247.02080	0.6
251.05568	1.5
255.02994	5.0
257.04559	0.5
267.04987	0.7
271.04672	0.6
277.03491	1.2
279.05099	3.4
283.02454	1.7
284.03250	3.5
285.03989	3.3
295.04636	7.7
300.99866	1.8
313.05701	17.6
403.06763	4.1
421.07751	1.6
447.05539	6.7
448.06271	1.5
449.07263	3.3
465.06714	29.7
466.06921	1.4
536.65808	0.6
573.08795	6.1
617.07837	61.4
618.08014	5.8
733.10242	2.4
751.11700	4.9
903.12488	8.0
904.13226	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	1.3
70.42659	2.4
71.01254	21.7
72.99183	1.8
73.02818	2.8
75.00755	1.4
75.58954	0.5
80.02567	1.1
81.03339	2.5
83.01260	2.7
83.04894	5.4
84.02035	1.5
85.02822	4.4
87.00750	4.5
89.02317	14.9
90.56789	0.6
95.01254	1.6
95.04901	1.4
96.95884	0.6
97.02838	2.6
99.00775	1.0
101.02320	12.7
113.02332	7.0
115.03864	0.7
119.03364	3.0
125.02317	5.8
125.05989	0.8
131.03377	0.8
139.03911	0.8
143.03371	2.5
161.04498	3.2
163.11174	4.9
165.12837	2.9
179.05533	2.4
191.10747	1.0
209.11774	100.0
210.12102	4.6
211.13220	0.7
217.07130	1.0
221.06590	1.7
225.11388	0.8
227.12827	11.6
235.08145	4.7
253.09274	0.6
277.21826	1.7
287.07809	1.6
293.24860	63.4
294.25174	4.3
299.05341	0.6
305.08878	1.9
307.26389	0.7
323.09824	0.8
324.75955	0.6
379.12427	5.9
397.13495	38.0
398.13803	1.3
415.14658	8.7
481.68408	1.0
589.25433	0.7
901.49689	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
63.46748	0.3
69.03337	0.6
69.43644	3.6
71.01257	13.8
72.64529	0.4
72.99175	1.2
73.02827	1.2
75.00728	0.5
78.95785	0.6
80.02554	1.0
81.03324	1.9
83.01286	2.1
83.04889	5.4
84.02052	0.6
85.02831	3.2
87.00755	3.3
89.02316	10.4
91.45586	0.4
95.01268	1.2
95.04908	1.1
96.17795	0.4
97.02834	1.5
98.20621	0.7
99.00739	0.7
101.02328	8.9
109.06450	0.5
113.02341	5.9
119.03424	2.8
121.02847	0.4
125.02329	5.0
125.05987	0.7
129.01833	0.4
131.03423	1.0
133.04953	0.5
135.08054	0.7
139.03941	0.5
143.03439	1.9
144.49918	0.4
145.04953	0.6
149.04541	0.7
161.04494	3.0
163.11226	4.9
163.16608	0.6
165.12810	2.6
167.03455	0.8
170.62740	0.4
174.47935	0.4
179.05539	3.2
181.12231	0.9
191.10660	0.9
199.06018	0.5
201.11343	0.4
209.11771	100.0
210.12102	4.3
210.31052	0.5
217.07092	0.7
221.06654	1.7
227.12845	10.1
235.08228	4.1
251.12872	0.9
253.09180	0.8
277.21863	0.7
287.07663	1.4
293.24863	48.3
294.25159	3.2
305.08707	1.9
323.09784	0.8
379.12418	5.8
397.13495	31.5
398.13800	1.4
415.14615	7.5
428.01450	0.4
505.94327	0.4
607.26147	0.8
803.25610	0.5
865.19733	0.4
901.45630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.48
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03317	1.9
69.56107	8.5
71.01255	42.5
71.04873	1.9
72.99181	2.2
73.02809	5.4
80.79314	1.4
80.96376	2.0
83.01247	4.3
85.02819	7.3
87.00736	7.5
89.02319	18.1
95.01253	2.9
96.95862	3.0
97.02816	9.0
97.06464	2.5
98.20518	3.0
99.00744	12.8
100.72945	1.3
101.02319	19.6
109.02831	1.7
109.06429	3.6
111.00745	1.6
113.02321	11.0
113.22835	1.5
119.03374	4.5
123.00726	2.2
123.08057	1.5
125.02325	11.2
125.09604	7.9
127.11159	2.4
131.03365	2.5
135.08028	1.7
139.03868	1.5
143.03461	2.3
161.04453	3.6
161.09628	2.0
163.11165	9.9
168.52367	1.4
169.01303	5.3
171.10175	27.7
179.05486	5.0
179.10728	1.9
181.12253	15.5
182.35672	1.4
183.13841	1.6
185.11668	2.8
197.11681	3.9
199.13312	16.9
201.11237	5.6
207.10194	39.8
209.11682	3.5
209.65643	1.4
211.13292	2.8
221.06630	5.2
225.11267	72.6
226.11708	3.6
227.12817	3.7
227.41208	1.4
235.08160	4.2
241.14386	4.9
243.12291	17.6
272.53802	1.8
277.21729	53.0
277.24796	3.1
278.21973	6.4
289.17917	2.3
291.19574	4.3
293.21222	10.3
300.99829	4.9
307.19278	1.7
311.70889	1.4
379.12372	6.4
387.29111	3.6
396.99747	1.5
397.13504	27.8
398.13849	3.2
415.14688	7.0
439.13977	1.9
605.24438	6.4
623.25745	8.7
641.26770	2.4
725.34058	1.5
883.46960	16.9
884.47003	2.4
900.08160	2.1
901.47894	100.0
902.48438	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	901.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	0.9
71.01254	15.3
71.04886	0.6
71.05214	0.6
72.01572	0.6
72.99184	1.1
73.02823	1.8
78.86922	0.3
80.02563	1.7
81.03322	1.9
83.01235	1.9
83.04900	4.5
84.02040	0.8
85.02832	3.8
86.83846	0.4
87.00746	3.2
89.02316	12.3
92.74065	0.4
95.01244	1.2
95.04919	1.1
96.95899	3.3
97.02808	2.2
99.00744	1.1
101.02326	10.3
111.08036	0.7
113.02317	6.5
119.03399	3.4
121.10088	0.5
123.00776	0.8
125.02329	5.4
129.26480	0.4
139.03909	0.4
141.01830	0.4
143.03413	2.3
143.32144	0.5
145.04973	0.5
149.04483	0.4
161.04430	2.5
163.11203	3.6
165.12776	2.0
169.01283	2.0
171.10217	0.7
179.05521	3.6
179.14316	0.6
181.12181	0.9
190.89961	0.4
191.10748	0.6
195.13823	6.6
196.14485	0.6
197.11769	1.2
199.13365	0.5
205.12314	0.7
205.15837	0.5
206.95891	0.5
209.11771	91.5
210.12099	4.9
211.13338	4.1
212.13576	0.4
221.06589	1.5
223.13327	5.0
223.64854	0.4
224.13713	0.4
227.12834	12.4
228.13361	0.8
231.20998	0.6
235.08159	4.8
253.09233	1.1
256.13162	0.6
263.07776	0.4
275.20172	5.5
277.21921	0.4
287.07721	1.2
291.19504	0.9
293.21225	100.0
294.21539	9.2
300.99915	0.9
305.08707	1.3
309.20602	2.2
317.21295	0.5
323.09732	1.0
341.23227	0.6
379.12439	3.2
397.13483	35.0
398.13904	2.7
415.14572	13.8
416.14816	1.2
607.26129	1.0
683.30524	0.5
691.35535	1.1
735.38690	0.5
893.03064	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03321	1.1
71.01257	16.2
71.05017	0.8
72.99185	1.2
73.02814	2.3
75.00757	0.5
80.02551	1.2
81.03333	2.2
83.01248	1.7
83.04895	6.1
84.02050	1.0
85.02826	3.6
87.00757	3.9
89.02320	12.7
93.03312	0.4
95.01246	1.6
95.04910	1.1
96.95891	6.0
96.96829	0.6
97.02847	2.3
97.06493	0.4
99.00759	0.7
101.02324	11.7
109.02845	0.4
111.00752	0.5
111.08020	0.7
113.02332	6.4
115.03938	0.4
119.03384	3.6
123.00774	0.5
125.02339	5.8
125.05943	0.6
126.02659	0.4
131.03416	0.8
135.08057	0.7
139.03850	0.4
143.03406	2.4
147.11673	0.4
149.04488	0.5
161.04466	2.8
163.11198	5.1
165.12740	3.0
166.99742	0.3
167.03378	0.3
168.00427	0.3
169.01347	1.3
174.92355	0.4
179.05533	3.1
179.14313	0.7
181.12277	0.7
183.13733	0.5
185.79700	0.4
191.10693	1.1
195.13826	6.0
196.14337	0.8
197.11658	0.6
205.12204	0.6
205.15903	0.4
209.11771	100.0
210.12154	4.8
211.13344	2.9
217.07086	0.4
221.06621	1.4
223.13341	4.9
227.12843	11.4
228.13382	1.2
235.08192	4.0
235.16937	0.7
251.12901	0.5
253.09172	0.9
256.13168	0.9
275.20163	5.8
277.09177	0.4
287.07687	0.9
291.19678	0.9
293.21225	91.7
294.21555	7.5
300.99942	0.5
305.08865	1.8
309.20679	1.8
310.21069	0.4
323.09814	1.3
379.12393	2.8
397.13516	36.7
398.13800	2.3
415.14566	13.9
416.14957	1.0
446.05792	0.3
539.35858	0.3
607.26215	2.3
691.35260	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
63.45940	0.5
68.99686	0.5
69.03293	0.6
71.01253	100.0
72.01588	1.1
72.99184	0.8
73.02808	2.9
80.96371	0.5
83.01261	0.9
83.04886	0.5
85.02821	3.1
85.24087	0.5
87.00751	2.8
89.02316	7.6
93.03357	0.5
95.01243	1.2
95.28246	0.5
97.02817	1.9
99.00765	1.6
101.02316	6.8
109.06473	2.1
111.04415	0.6
113.02325	4.1
119.03386	2.6
125.02331	3.7
125.09646	1.2
127.11154	0.8
131.03363	0.8
139.07529	0.7
141.01830	0.5
142.02621	0.5
143.03403	1.9
144.87360	0.5
148.16701	0.5
153.12766	0.5
155.10718	1.0
161.04536	1.3
163.11203	2.3
167.03377	0.7
171.10184	17.3
179.05592	2.2
181.12280	1.8
185.11818	0.9
189.09183	0.6
197.11789	0.6
201.11256	11.9
207.10210	8.7
211.12962	0.5
215.12914	2.0
217.06998	0.6
221.06680	1.0
225.11266	16.1
226.11617	0.7
235.08235	3.3
243.12367	2.1
253.09308	0.9
277.21707	27.6
278.22095	1.9
287.07916	0.8
305.08762	0.7
312.17972	0.5
365.11078	0.6
370.11407	0.5
379.12479	2.3
397.13477	18.1
397.18552	0.9
398.14117	1.1
415.14566	4.9
439.14743	1.1
569.24097	0.6
605.24597	1.9
623.25751	2.1
642.11835	0.5
883.46912	3.4
884.47455	1.1
901.48083	5.1
902.48517	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99702	0.5
69.03322	1.1
69.53016	3.0
71.01254	100.0
72.01583	0.9
72.99172	0.8
73.02810	3.6
74.01833	0.3
75.00752	0.6
79.95625	0.4
81.03329	0.8
83.01248	1.0
83.04898	0.5
85.02826	5.0
87.00763	3.7
87.04430	0.4
88.76717	0.4
89.02318	7.7
95.01277	1.4
95.04929	0.8
97.02830	3.3
97.06476	0.4
98.20583	0.8
99.00764	1.5
101.02325	8.6
109.02790	0.5
109.06461	3.2
111.00785	0.4
111.04445	0.5
113.02332	5.7
119.03400	2.0
121.02961	0.4
121.06463	0.4
123.08069	0.4
123.34267	0.4
125.02352	3.6
125.09603	1.5
127.11186	1.6
131.03389	0.6
131.39217	0.3
135.08037	0.5
137.09572	0.4
139.03883	0.5
139.07549	0.7
141.01839	0.7
143.03419	1.7
149.09615	0.4
151.11211	0.4
155.10698	1.3
161.04544	1.7
161.09631	0.6
163.11179	3.2
165.09090	0.5
167.03403	0.6
167.10704	0.8
171.10182	22.8
172.10603	0.8
179.05536	2.5
179.28848	0.4
181.12299	2.0
183.10117	0.5
184.88225	0.4
185.11797	1.1
189.09145	1.3
197.11792	1.4
199.13420	0.7
201.11258	17.2
202.11623	0.7
207.10199	10.4
209.11813	0.6
215.12854	1.3
221.06650	1.3
225.11282	20.2
226.11421	0.9
235.08186	3.1
243.12346	2.5
253.09335	1.3
261.60965	0.4
277.21716	25.3
278.22104	2.7
287.07587	0.6
305.08948	0.5
323.09918	0.7
379.12463	3.3
397.13477	15.0
398.13788	0.9
415.14667	4.7
439.14633	1.2
457.15598	0.5
459.18149	0.4
568.33136	0.4
569.24213	0.8
605.24829	1.3
606.24530	0.4
621.81738	0.5
623.25751	3.9
842.09314	0.4
883.46979	3.2
884.47009	0.6
901.47833	3.6
902.49402	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54690	7.6
71.01254	100.0
72.01601	1.2
72.99184	1.5
73.02824	4.5
75.00744	1.3
75.72687	1.0
80.96384	1.9
81.03316	1.3
83.01259	2.2
85.02831	5.9
86.36543	1.1
87.00771	3.3
89.02319	10.3
89.42085	1.0
95.01299	1.6
97.02840	4.9
99.00767	2.6
101.02322	11.9
109.06475	4.6
113.02335	7.9
119.03389	3.5
119.71819	1.0
125.02312	6.8
125.09621	2.9
127.11137	1.9
137.09570	1.1
143.03427	2.8
147.46149	1.2
161.04472	2.5
163.11243	5.7
171.10172	20.9
179.05528	1.9
181.12250	5.3
185.11697	1.9
191.05582	1.7
197.11807	1.8
199.13324	2.3
201.11296	13.9
207.10214	17.9
208.10501	1.6
209.11925	5.8
211.13411	1.5
221.06577	2.2
225.11278	26.2
226.11603	2.1
235.08124	4.3
243.12329	3.5
251.46368	1.3
264.32944	1.3
277.21741	35.0
278.22089	2.9
287.07645	1.8
291.23279	1.7
293.24780	1.3
305.08679	1.3
379.12228	3.3
397.13486	21.0
398.13831	2.2
415.14539	4.2
605.25677	1.4
623.25476	4.4
807.50592	1.5
883.46643	7.0
884.47327	2.7
901.47699	23.8
902.48047	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	901.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02293	0.6
71.58186	0.7
79.66904	0.4
92.89844	0.4
107.01270	1.4
123.00729	0.6
125.02349	1.1
130.75159	0.4
145.02882	0.9
151.00270	2.7
157.02870	0.6
163.00290	0.6
163.03889	0.6
169.01326	2.5
173.02365	1.9
185.02382	2.5
185.06006	0.4
187.03952	0.5
195.81395	0.4
201.01877	1.9
217.01257	0.5
226.99858	0.6
227.03514	0.5
229.01402	4.7
229.05011	2.0
242.29741	0.4
245.00851	0.9
257.00931	1.8
257.04416	2.3
283.99673	3.3
285.04047	44.6
286.04385	2.5
299.99146	2.8
300.99896	100.0
302.00256	5.7
313.05692	6.9
337.35898	0.5
571.11224	0.5
599.10382	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	901.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
63.78667	0.5
69.34222	1.2
69.34634	3.7
69.62169	0.5
71.01250	0.7
74.33511	0.5
80.26700	0.5
98.19836	1.1
107.01272	1.0
117.74304	0.5
123.00775	1.8
125.02351	9.4
129.03366	0.9
139.00284	0.6
141.01851	0.5
144.00952	0.6
145.02843	0.8
151.00278	2.2
157.02823	0.7
161.02269	0.7
162.23192	0.5
169.01352	17.6
173.02394	1.7
173.05688	0.5
185.02325	2.8
194.27278	0.5
201.01901	2.7
211.02287	0.8
217.01334	1.0
226.95052	0.6
226.99899	0.7
227.03485	1.1
228.00893	0.7
229.01385	4.3
241.03519	1.1
245.00899	2.1
254.66634	0.6
255.02960	3.3
256.03384	0.8
257.00885	2.2
283.99707	2.9
284.03238	4.9
285.04001	5.0
299.99222	3.1
300.99899	100.0
302.00241	5.7
313.05692	3.7
447.08868	1.0
599.10406	38.7
600.10913	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	901.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10167	0.7
71.01245	1.5
76.94495	0.6
89.43625	0.6
97.23921	0.6
107.01274	2.9
123.00764	1.6
125.02332	15.5
145.02879	2.1
151.00282	2.5
157.02940	0.8
163.03883	1.2
168.00508	0.8
169.01340	22.5
173.02353	1.8
177.40480	0.7
185.02393	2.8
201.01866	3.6
211.02348	0.7
213.80394	0.6
214.45201	0.6
219.54398	0.6
227.03464	3.8
228.03870	0.8
229.01477	4.6
229.05066	0.9
241.03496	1.2
245.00957	1.5
255.02936	6.1
256.03522	1.3
257.00891	2.3
283.99661	4.9
284.03299	10.1
285.04053	9.0
299.99255	4.1
300.02368	1.3
300.99905	100.0
302.00281	5.6
313.05795	5.0
447.09558	1.4
599.10431	72.6
600.10791	10.1
636.91949	0.8
723.71124	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03317	1.4
71.01257	16.1
71.04893	1.0
71.27207	0.6
72.01582	0.6
72.99185	1.6
73.02830	1.4
80.02534	1.4
81.03326	2.5
83.01268	2.6
83.04896	7.0
84.02027	1.3
85.02826	3.9
87.00763	3.5
89.02319	14.1
93.16589	0.7
95.01257	1.8
95.04907	1.8
96.75371	0.5
96.95885	2.0
97.02834	2.2
98.20524	1.9
99.00739	1.1
101.02324	12.4
102.33804	0.6
103.95051	0.6
107.01263	0.8
109.02789	0.6
109.06470	1.6
111.00804	0.6
111.08050	4.9
113.02351	6.4
113.09598	0.5
119.03407	3.1
123.00771	1.2
125.02341	7.7
126.90255	1.5
135.08032	0.6
137.79366	0.6
143.03429	2.7
154.20451	0.7
155.16190	0.6
161.04453	4.1
163.11212	6.0
165.12750	3.3
166.99754	0.7
167.03358	0.6
167.10622	1.2
169.00038	0.7
169.01320	4.3
171.10146	0.7
177.12785	1.5
179.05537	3.6
179.10703	1.4
181.12265	1.2
191.10675	1.1
195.13847	3.5
207.10173	3.4
209.11777	100.0
210.12119	3.5
211.13385	1.8
217.07016	0.6
221.06592	1.4
221.11688	0.5
225.11299	2.4
227.12848	12.3
229.36441	0.8
235.08177	4.5
247.20628	1.2
251.12794	0.8
253.09288	1.4
287.07782	1.1
289.18152	1.1
291.19672	73.4
292.19931	4.4
293.21198	2.8
299.98996	0.7
300.99924	1.5
305.09143	1.1
309.20917	1.1
323.09738	1.2
329.21262	0.7
379.12305	3.8
397.13504	35.3
398.13678	1.9
415.14661	11.3
469.93225	0.7
501.31757	0.8
607.25983	1.3
671.32654	0.8
689.34326	1.6
881.44995	1.2
899.47449	2.6
900.47156	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
67.42838	0.5
69.03331	6.0
70.14127	3.0
71.01253	15.1
71.04908	0.7
72.99178	2.4
73.02810	2.1
75.00739	1.3
80.96412	0.9
81.03326	0.7
83.01247	1.8
83.04886	1.1
85.02816	3.2
87.00747	2.7
87.82340	0.6
89.02313	8.7
95.01283	1.7
95.04922	0.6
97.02813	1.7
97.06474	1.0
99.00748	1.4
99.04382	0.7
101.02324	9.0
111.04388	1.0
113.02348	4.2
115.00230	2.1
119.03369	2.1
123.00758	0.7
123.08032	1.5
125.02343	4.1
125.09591	1.8
143.03333	0.8
151.11176	2.8
153.12750	1.1
161.04454	1.2
161.09636	3.5
169.01302	1.8
169.12260	1.1
171.10167	1.1
175.02359	2.3
179.05556	0.9
179.10670	5.5
197.11768	38.9
198.12154	1.5
207.10251	0.7
209.11702	1.3
211.13135	0.6
221.06598	1.8
223.09732	1.0
235.08110	1.4
241.10773	2.5
270.98831	2.3
271.39468	0.6
277.21725	34.9
278.22049	1.9
298.98245	2.5
300.99924	1.3
397.13528	4.6
415.14545	1.1
621.24219	0.9
639.24530	1.2
781.43188	1.0
899.46423	100.0
900.46838	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	899.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	4.5
69.53008	4.8
71.01257	17.4
71.04888	1.7
72.99174	2.5
73.02814	3.2
75.00744	1.0
81.03309	1.0
83.01250	2.0
85.02833	3.9
87.00757	3.8
87.11132	0.5
89.02309	10.1
95.01258	2.0
97.02839	3.1
97.06498	0.7
98.19791	0.8
99.00745	1.3
101.02328	9.9
107.01254	0.6
108.02100	0.5
111.04364	0.7
113.02302	4.9
115.00243	2.2
116.82656	0.6
119.03375	2.1
123.00745	1.0
123.08019	1.3
125.02359	4.9
125.09602	2.1
130.97047	0.5
131.03372	0.7
141.01884	0.8
143.03375	1.6
147.91035	0.6
151.11182	2.1
153.12755	2.1
155.06981	0.6
161.04442	1.5
161.09596	2.5
165.09163	1.4
169.01331	4.9
169.12172	0.9
171.10202	0.9
175.02409	3.3
177.18140	0.6
179.05507	0.9
179.10696	5.7
179.65596	0.6
197.11768	71.0
198.12071	3.1
209.11728	1.3
211.13408	0.9
221.06615	2.6
223.09662	3.2
223.68285	0.5
232.59541	0.6
235.08186	1.5
241.10901	3.9
277.21719	24.5
278.22156	1.6
298.98331	0.8
299.98709	0.9
300.99789	1.9
338.02960	0.6
340.99942	0.6
397.13553	4.6
398.13394	0.7
415.14468	1.4
483.43353	0.6
594.03845	0.7
639.24805	1.2
786.30670	0.6
792.42334	0.7
878.28210	0.7
881.45258	1.5
899.46460	100.0
900.46637	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	898.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98401	3.3
65.00184	3.2
70.87511	3.4
71.01241	11.2
71.58392	5.4
72.99194	4.3
73.02821	4.2
75.13681	2.9
87.00758	12.0
95.01297	9.3
96.95898	22.6
101.02341	5.6
107.01266	16.1
111.00740	5.2
115.00284	13.8
118.76433	3.6
123.00783	16.3
125.02333	69.6
126.02699	4.6
135.02902	9.9
136.98706	3.3
137.02344	4.2
139.00275	6.7
150.03188	4.1
161.02298	5.1
163.00322	8.1
165.01862	6.8
165.05522	6.2
166.99777	13.9
169.01341	100.0
175.02435	28.0
175.03821	6.1
177.01860	4.1
189.01726	3.9
201.01791	4.3
203.03345	3.8
205.01353	4.4
209.11833	16.3
210.12109	6.4
217.01451	3.8
229.01392	9.3
245.00793	5.2
273.00262	6.8
275.01996	14.3
298.98355	8.5
299.99188	19.5
300.99960	54.3
301.03262	3.0
302.00247	9.0
397.13361	4.5
452.03061	4.3
454.15479	4.0
466.02838	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	897.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
64.50913	1.7
69.03333	3.2
71.01253	100.0
71.55923	2.1
72.99176	4.5
73.02825	5.7
75.00758	2.5
78.95750	1.9
83.01265	4.2
85.02832	5.6
87.00718	9.8
89.02323	20.5
97.02827	6.7
99.00777	4.6
101.02319	15.1
109.06445	4.8
113.02309	9.2
119.03390	5.5
120.77740	1.8
125.02326	6.9
137.43221	2.2
141.01591	22.9
143.03438	3.8
155.10677	3.0
161.04430	4.4
163.11211	3.6
171.10185	50.6
179.05489	5.3
181.12234	3.1
199.09680	12.9
201.11272	19.7
207.10190	20.0
209.11769	6.3
225.11287	17.2
235.08157	7.3
243.12440	2.9
255.23265	76.7
256.23630	7.0
277.21890	4.3
305.09052	3.3
379.12466	6.4
397.13458	40.5
415.14508	8.3
605.23975	4.3
623.24524	2.9
736.07605	2.2
835.46765	3.2
861.48273	9.0
879.48755	3.4
897.50354	17.2
898.51849	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	897.5081
Annotation	Unknow
Peak:m/z	Relative Intensity
67.46824	1.1
68.99685	1.3
69.03333	3.1
71.01257	100.0
71.57161	1.2
71.57561	1.9
72.99193	3.4
73.02808	3.0
74.32317	1.0
75.00745	7.0
78.95776	1.3
79.95620	1.2
81.03349	2.5
83.01254	2.6
83.04912	3.9
85.02817	7.3
87.00766	8.0
89.02323	16.5
95.01298	2.5
97.02818	4.7
99.00758	2.8
101.02323	19.4
109.06470	4.3
111.00723	1.1
113.01588	1.7
113.02325	9.1
119.03393	4.7
125.02370	9.9
125.09617	2.6
127.11230	2.1
135.08005	1.3
142.02637	1.8
143.03398	4.2
149.04453	1.3
161.04477	2.6
163.11214	3.1
168.01442	1.2
171.10185	42.7
172.10515	2.2
177.12769	1.7
179.05495	4.5
199.09634	8.0
200.10121	1.5
201.11299	9.0
207.10229	14.7
209.11826	2.1
221.06709	1.8
221.11777	21.7
222.12134	1.3
225.11279	11.6
233.06802	1.5
235.08183	6.6
239.12888	11.6
243.12317	1.9
255.23282	61.6
255.64758	1.2
256.23587	4.2
277.21704	12.1
305.08624	2.0
319.59372	1.2
371.10904	1.2
379.12323	5.0
397.13504	38.0
398.13708	3.3
415.14548	9.3
416.14917	1.7
455.15402	1.3
568.93781	1.5
619.26331	2.9
637.27246	2.0
653.37750	1.6
835.47089	2.1
861.48138	5.6
862.48901	3.4
897.49896	12.7
898.49915	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	895.527
Annotation	Unknow
Peak:m/z	Relative Intensity
66.30933	3.1
71.01267	17.2
73.02840	5.0
75.00756	6.1
87.00764	4.1
89.02333	11.9
101.02311	16.3
113.02358	8.2
118.67385	2.9
119.03349	4.4
122.64492	3.0
125.02376	4.7
129.92792	2.9
148.96745	3.1
171.10207	8.0
179.05655	5.2
209.11775	100.0
209.13780	4.9
210.12152	4.6
225.18713	4.5
227.12827	9.4
235.08231	6.5
255.23291	51.3
256.23691	4.1
277.21713	5.2
379.12454	13.5
397.13474	44.5
415.14536	9.7
429.33792	3.3
506.02707	3.3
549.30627	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	897.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
64.29149	0.4
69.03301	2.3
69.60614	0.6
69.61022	2.8
70.17133	0.4
71.01253	14.3
71.04884	0.5
72.99192	1.2
73.02832	2.0
78.25062	0.4
83.01272	1.1
85.02805	2.6
85.06491	0.4
87.00745	3.1
89.02320	12.9
94.46447	0.5
95.01287	1.9
95.04908	0.7
96.95903	1.2
97.02843	1.5
98.19868	0.9
99.00760	1.3
101.01278	0.5
101.02331	10.6
107.01256	0.8
111.04478	0.5
111.08080	0.5
113.02336	6.9
119.03378	3.4
123.00770	1.9
125.02346	7.6
129.58026	0.4
131.03387	0.9
141.01627	0.8
141.09132	0.5
143.03418	1.7
161.02419	0.5
161.04416	2.9
161.13232	0.4
166.99799	1.5
167.03372	0.6
167.10699	2.8
169.01324	4.4
177.12733	1.1
179.05472	3.4
179.10721	0.7
179.14366	2.8
195.13841	13.8
196.14388	0.7
205.12315	6.5
209.11713	0.7
211.13411	1.1
217.07066	0.8
221.06593	1.9
223.13351	69.9
224.13660	3.2
225.14882	1.2
228.13654	0.6
235.08144	3.5
245.06648	0.6
253.09346	1.2
256.13242	0.7
270.98749	0.5
273.00354	0.5
275.20142	4.5
287.07831	0.9
293.21225	100.0
294.21536	7.0
298.98398	1.0
299.99170	0.8
300.99802	3.6
305.08612	0.7
317.21246	0.6
323.09918	0.9
379.12454	2.9
397.13504	32.9
398.13803	1.9
415.14526	11.7
416.14694	0.9
452.02975	1.0
466.03082	0.9
499.33929	0.7
596.85907	0.5
603.26569	2.3
621.27637	7.2
622.27826	0.9
633.59589	0.5
673.33844	0.9
674.25970	0.5
691.35547	1.7
870.47479	0.5
892.45367	0.6
897.47040	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03317	1.4
70.08599	3.0
71.01255	16.8
72.99169	1.4
73.02795	1.6
75.00755	0.7
83.01269	1.0
85.02802	2.8
87.00753	2.3
88.98682	4.0
89.02312	9.0
95.01234	0.7
96.95891	1.6
97.02840	2.0
101.02329	7.9
107.01237	0.7
109.06475	0.9
113.02334	4.9
117.06963	0.8
119.03371	1.3
122.90804	0.6
123.00810	0.7
125.02352	5.1
139.00269	0.6
143.03412	1.4
161.04498	1.8
163.11151	0.8
166.99759	0.6
168.00604	0.7
169.01379	2.1
179.05566	2.3
181.44987	0.5
183.13824	8.2
193.12236	1.8
203.16936	0.6
207.10165	3.1
209.11763	2.0
211.13341	100.0
212.13672	4.6
221.06760	1.0
221.15508	1.3
225.11272	2.6
235.08234	2.2
236.10573	0.6
276.73218	0.6
287.07745	0.8
287.16412	0.6
300.99857	2.1
323.09958	1.0
379.12442	5.6
397.13501	19.8
398.13876	1.7
415.14526	4.7
419.25259	0.7
591.26642	9.1
592.26923	1.5
609.27728	7.9
610.28058	1.0
769.09137	0.6
785.39972	1.8
803.41168	1.7
817.37805	0.9
895.44574	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
64.15445	2.4
71.01256	100.0
72.99183	6.3
78.95802	7.3
81.03330	3.5
83.01251	4.3
85.02837	6.6
87.00763	7.1
88.98666	20.3
89.02306	15.1
95.01263	4.9
96.95897	6.7
97.02851	6.4
99.00777	3.3
101.02322	16.8
109.06471	10.0
113.02345	10.7
119.03414	4.1
121.06550	3.2
123.00772	4.1
125.02382	15.3
125.09643	2.6
161.04572	3.5
163.11153	14.5
165.05482	5.5
169.01344	13.1
171.10178	10.6
179.05495	5.2
181.12248	4.7
183.13782	6.7
183.33769	2.7
201.11255	9.4
207.10207	38.9
209.11823	16.1
211.13341	80.4
212.13737	3.9
225.11319	40.7
227.12804	9.3
235.08173	5.8
243.12505	3.2
275.01773	4.0
300.99875	13.4
379.12558	3.8
387.14828	3.2
391.24658	4.9
397.13412	31.3
401.23184	3.8
415.14584	11.6
419.24567	7.2
535.19873	4.5
536.19806	3.3
560.33624	3.5
623.25616	9.6
664.39264	3.3
799.36981	6.4
817.38654	23.5
818.38953	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	893.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
68.04263	0.3
69.50467	1.4
69.50896	1.3
71.01255	11.2
72.99205	0.7
73.02818	3.1
83.01268	2.3
85.02821	5.5
85.99947	0.5
87.00726	0.8
89.02319	4.2
95.01245	1.1
97.02864	0.3
99.00740	1.3
101.01696	0.7
101.02323	10.3
105.49435	0.4
113.02338	4.8
119.03385	2.1
120.73795	0.3
123.08059	2.2
123.57885	0.3
125.02297	0.5
125.37186	0.3
159.02879	0.6
161.04485	1.0
167.58282	0.3
169.01303	0.9
177.05487	2.0
177.12770	3.7
195.13879	1.0
221.11780	2.8
240.40907	0.3
300.99847	0.8
313.05487	0.4
347.00986	0.3
401.18164	100.0
402.18521	9.6
491.11813	1.4
507.59641	0.4
605.80493	0.4
757.22034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03305	0.8
71.01255	16.0
72.99169	0.7
73.02813	2.7
80.02545	1.2
81.03331	1.6
83.01270	2.5
83.04905	3.8
84.02045	1.0
85.02816	3.0
87.00751	4.4
89.02319	12.7
95.01257	0.7
97.02836	2.4
101.02332	12.0
111.04408	0.7
113.02342	6.6
119.03407	3.3
125.02319	5.5
131.03389	0.7
131.98662	0.6
141.01831	0.7
143.03377	1.8
147.58566	0.6
161.04532	3.8
163.11224	3.3
165.12750	1.9
179.05458	3.6
191.10738	1.0
209.11777	100.0
210.12115	3.9
217.06905	1.1
221.06602	0.8
227.12854	12.4
235.08208	5.2
283.26422	56.2
284.26694	2.9
287.07703	1.7
305.08887	1.3
323.09830	1.1
379.12616	6.4
397.13541	39.5
398.14005	2.6
415.14618	7.5
663.40601	0.9
681.40442	1.1
731.13647	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98721	0.6
68.99699	0.6
69.03322	1.0
70.55620	1.6
71.01259	16.2
72.99184	1.6
73.02828	3.2
75.00740	0.7
80.02533	1.1
81.03339	2.1
83.01260	1.8
83.04903	5.5
84.02040	0.7
85.02827	4.0
87.00761	4.9
87.93766	0.4
89.02322	14.1
93.03380	0.5
95.01284	1.1
95.04900	0.6
97.02833	2.9
99.00758	1.0
99.92455	1.5
101.02326	12.8
109.06538	0.4
111.00795	0.5
113.02335	7.6
115.03878	0.7
116.92747	15.6
117.01843	0.5
117.92776	1.1
119.03398	3.8
121.02845	1.1
123.00758	0.6
125.02334	6.3
125.05997	0.7
131.03383	0.5
133.05003	0.5
135.08122	0.7
139.03868	0.7
143.03423	2.3
161.04498	3.1
163.11201	4.0
165.01772	0.5
165.12794	2.5
167.03419	0.8
179.05539	4.0
181.12277	0.8
191.10625	0.9
191.56058	0.4
209.11778	100.0
210.12131	5.3
221.06615	0.8
227.12849	12.0
235.08127	4.5
253.09326	0.8
281.24866	65.4
282.25235	5.1
287.07767	1.2
295.26343	0.6
305.08664	1.9
323.09921	1.1
379.12488	7.0
397.13519	38.9
398.13992	2.2
415.14523	8.9
679.39117	0.7
889.51746	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
63.83749	0.6
69.03322	1.1
70.32270	2.8
71.01255	18.6
72.02442	0.6
72.99178	1.2
73.02824	2.3
76.10252	0.6
83.01279	1.6
85.02834	4.6
87.00748	5.0
89.02318	13.7
93.61271	0.6
95.01270	1.7
97.02829	2.4
99.00743	0.7
101.02324	12.9
108.90662	0.6
111.04408	0.7
113.02330	8.4
113.42355	0.7
116.92753	1.9
117.47916	0.6
119.03384	4.8
125.02336	8.6
127.11191	1.8
131.03424	0.6
133.04973	1.2
139.03920	0.8
143.03410	2.4
161.04451	2.3
167.03580	0.6
171.10185	100.0
172.10548	3.5
179.05496	3.1
209.11774	1.9
217.07121	1.0
221.06738	1.5
235.08173	6.0
253.09262	1.5
259.08081	0.8
277.21719	70.6
278.22049	5.1
287.07742	3.1
305.09052	2.9
323.10059	1.5
331.57111	0.7
343.88483	0.6
379.12448	14.5
380.12772	1.3
397.13516	45.0
398.13879	2.7
415.14597	8.9
416.14938	0.7
461.52798	0.7
507.43420	0.6
551.23523	2.9
569.24420	0.9
613.67206	0.7
657.34924	1.1
675.36029	1.9
748.65686	0.7
920.75916	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
66.48638	3.8
71.01263	29.9
71.56852	5.2
71.57285	4.5
81.03332	6.0
83.04902	4.3
83.70888	3.5
87.00769	4.6
89.02316	28.0
90.68005	3.6
97.02843	11.6
101.02323	11.9
109.06487	26.4
113.02354	10.2
119.03430	5.1
125.02312	10.0
127.36166	3.9
161.09653	5.0
163.11237	18.5
181.12134	3.7
187.13164	3.8
189.09171	4.7
203.87083	3.8
207.10213	100.0
225.11307	36.5
235.08160	6.0
281.21960	6.6
281.24899	88.3
379.12573	8.6
397.13400	60.0
415.14542	15.1
605.24030	9.2
755.89355	4.2
887.49969	63.1
888.50800	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	887.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	0.4
64.03369	0.3
65.63511	0.3
69.03322	1.1
71.01257	16.5
71.05460	0.8
72.99183	1.5
73.02827	2.7
73.42188	0.3
75.00732	0.3
79.95613	0.4
80.02544	1.1
80.96397	1.1
81.03339	1.7
83.01251	2.0
83.04905	4.5
84.02019	0.7
85.02826	3.4
87.00751	4.5
89.02320	13.9
95.01270	1.4
95.04902	0.7
97.02838	3.3
99.00763	1.1
99.04440	0.4
99.92305	0.4
101.02325	12.9
107.13686	0.4
109.02885	0.4
109.06487	0.4
111.00792	0.4
111.04388	0.7
113.02337	7.4
116.92769	0.6
119.03405	3.4
120.13720	0.4
121.02853	0.7
125.02352	6.3
125.06015	0.6
131.03409	0.6
135.08028	0.6
139.03958	0.4
141.01855	0.5
143.03419	2.6
149.04445	0.4
161.04478	3.7
163.11223	3.4
165.12755	2.9
167.03403	0.6
179.05551	3.7
181.12286	0.7
183.13786	1.2
184.14143	0.6
191.10695	1.1
201.23262	0.4
203.80426	0.3
207.10217	0.4
209.11787	100.0
210.12111	3.6
217.07074	1.1
221.06697	1.2
227.12877	11.7
228.13123	0.7
235.08211	4.9
238.51958	0.4
251.13057	0.4
253.09352	0.6
263.07697	0.6
277.21771	1.1
278.22147	0.5
279.23300	60.1
280.23645	3.7
287.07700	1.9
305.08813	2.2
323.09714	1.1
379.12488	6.1
397.13501	39.5
398.13828	2.1
415.14584	8.9
416.15015	0.6
607.26563	0.6
743.28650	0.4
886.48529	1.1
887.49005	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	887.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98707	0.7
69.03339	1.5
71.00895	1.2
71.01256	15.0
72.99169	2.1
73.02821	3.4
75.00780	0.7
78.95796	0.7
79.95621	1.4
80.02554	1.1
80.96394	3.6
81.03343	2.2
83.01250	2.6
83.04895	3.9
84.02041	1.3
85.02842	4.9
87.00749	4.8
88.91934	0.6
89.02322	12.0
94.97980	0.5
95.01233	1.6
97.02814	2.3
99.00799	1.3
99.92455	0.7
101.02328	13.0
109.06478	0.8
113.02339	7.9
116.92753	5.6
119.03422	3.5
121.64259	0.7
125.02335	6.8
133.05017	0.6
135.08035	0.8
141.01793	0.8
143.03421	3.8
143.27693	0.7
149.42688	0.6
152.98483	0.9
161.04446	3.4
163.11247	4.7
163.12433	1.0
165.12762	2.3
179.05537	3.5
181.12303	0.7
191.10736	1.3
199.13316	0.7
207.10202	2.0
209.11777	100.0
210.12108	5.4
221.06662	1.7
225.00592	0.9
225.11444	1.2
227.10742	1.1
227.12856	14.7
228.13176	1.4
235.08182	5.6
253.09412	0.9
277.21765	1.9
279.23297	58.3
280.23666	4.0
281.24860	1.1
281.94598	0.8
287.07684	1.2
305.08786	1.6
312.82663	0.7
324.14377	0.7
379.12436	6.6
396.94635	0.7
397.13486	39.9
398.13730	2.3
415.14560	9.1
607.24725	1.1
733.16351	0.7
887.48511	6.4
888.49677	1.8
915.58575	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.501
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98690	0.5
69.03321	1.2
71.01257	19.5
71.04889	0.4
72.99190	1.8
73.02824	2.5
75.00744	0.5
76.90479	0.3
80.02544	0.9
80.96383	0.8
81.03335	2.1
83.01269	1.5
83.04900	4.8
84.02023	0.7
84.19240	0.3
85.02823	5.4
85.99939	0.3
87.00753	4.6
89.02318	13.0
93.03304	0.3
95.01255	1.1
95.04906	0.9
97.02840	3.1
98.20650	0.6
99.00742	1.3
101.02320	13.5
102.02685	0.3
102.47390	0.3
109.06485	0.7
111.04398	0.3
113.02335	7.7
115.03884	0.6
116.92764	0.3
119.03394	3.4
123.00803	0.3
123.04450	0.3
125.02327	6.3
125.05934	0.6
127.03897	0.4
131.03418	0.7
133.04948	0.5
134.31488	0.3
135.08109	0.5
139.03920	0.7
141.01772	0.4
143.03397	2.3
145.05020	0.4
149.04425	0.3
161.04472	3.7
163.11220	4.0
165.12761	2.2
167.03380	0.5
169.04932	0.4
173.04761	0.3
179.05521	3.8
181.12276	0.8
183.13866	0.5
185.04506	0.5
191.10709	1.0
199.06013	0.4
207.10262	0.7
209.11775	100.0
210.12134	4.3
217.07120	1.0
221.06625	1.1
225.11250	1.0
226.11763	0.3
227.12843	12.1
228.13094	0.6
229.72627	0.4
235.08221	5.2
235.10460	0.5
251.12769	0.3
253.09247	1.0
263.07693	0.6
277.21704	0.9
278.22086	0.6
279.23288	62.3
280.23642	4.2
281.24872	0.5
287.07806	1.0
293.24646	0.6
305.08731	1.7
323.09702	0.8
361.11096	0.4
379.12476	5.9
380.12845	0.5
397.13495	38.6
398.13962	2.6
399.13831	0.4
415.14597	9.8
416.14700	0.7
607.26160	0.5
814.50952	0.4
887.48914	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	887.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98694	4.9
69.30964	24.3
69.31371	5.0
71.01254	7.4
78.95779	3.0
79.95591	5.7
83.04869	3.3
87.00776	4.7
89.02336	6.1
91.57279	2.6
93.57377	2.8
96.95889	100.0
96.96882	7.4
98.20501	4.1
101.02286	7.8
116.92750	29.9
119.03368	3.3
123.00735	4.6
125.02343	10.1
125.52177	3.0
158.33699	3.1
169.01396	9.0
175.51770	2.6
179.27827	3.1
209.11789	47.8
209.13734	3.0
211.13295	30.4
225.11334	3.4
227.12833	10.4
300.99844	8.4
327.21750	4.1
379.12558	7.4
397.13358	20.5
415.14337	5.3
527.41095	2.8
589.25128	5.0
591.26862	5.1
609.27545	10.8
720.52869	3.9
801.38654	4.0
823.84924	3.4
887.41022	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	887.4646
Annotation	Nostophycin
Peak:m/z	Relative Intensity
61.98684	3.1
69.03310	2.9
70.01883	15.0
71.01251	20.3
78.95752	4.0
85.02814	6.9
89.02332	14.2
95.01263	3.7
96.95897	39.0
97.02831	4.7
98.20448	5.1
101.02316	10.7
113.02319	6.8
115.00301	2.9
116.92716	26.6
119.03357	4.8
123.00728	4.4
125.02330	18.6
126.54276	2.8
133.04968	4.5
151.11203	9.2
169.01370	19.6
169.10817	4.5
169.12248	68.3
170.12643	4.9
171.10147	3.8
209.11781	10.4
213.11230	8.9
253.09354	5.4
254.42326	2.7
289.94064	2.7
293.21228	10.3
299.99075	4.3
300.99905	15.1
303.06393	3.2
397.13382	6.6
425.17789	3.4
803.96667	3.9
881.76611	3.1
887.46448	100.0
888.46387	22.6
909.15576	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	887.095
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02266	2.0
65.00196	3.8
65.19138	0.6
69.54684	0.9
69.55085	3.3
83.01256	2.6
87.58216	0.5
93.03325	1.3
106.70772	0.5
107.01283	9.0
109.02865	2.1
121.02845	8.7
121.03671	0.8
125.02356	2.5
145.02928	1.2
147.04482	0.5
149.02350	1.1
151.00282	31.3
159.04422	0.7
161.05911	0.6
163.00264	1.6
163.03880	0.6
164.01031	0.5
169.01338	4.9
173.02446	0.6
175.02386	0.9
178.99796	16.0
185.02321	1.3
189.01810	0.8
193.01442	0.6
201.01828	1.1
203.92871	0.5
211.04018	0.7
217.01361	1.1
226.99609	0.6
229.01376	1.8
229.04990	1.5
245.00850	0.8
245.04483	1.5
255.02882	1.5
257.00943	0.7
273.04092	1.8
283.04761	1.2
283.99731	1.7
299.99152	1.5
300.02524	0.9
300.99915	33.9
301.03543	100.0
302.00229	1.9
302.03854	6.1
380.72964	0.5
433.07642	0.8
472.59122	0.5
585.08844	25.6
586.09271	3.1
823.61115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
61.83541	0.8
69.56393	0.8
85.02827	1.5
95.01269	1.2
97.02827	0.9
101.02367	1.2
107.01256	7.3
108.02064	7.4
109.02854	1.5
111.00748	1.8
123.00783	6.2
125.02341	38.6
126.02687	1.5
136.98683	1.2
137.02344	0.9
138.01875	21.9
139.00284	1.9
140.00992	1.1
151.00279	7.6
152.01035	3.0
153.01823	1.8
163.00240	1.1
164.00978	0.9
166.08060	0.9
166.99786	0.9
168.00594	2.3
169.01347	69.4
170.01636	2.1
178.99724	1.3
211.02484	2.4
241.03532	3.2
243.02922	3.2
255.02956	7.8
271.02484	17.8
271.05103	1.9
272.03043	1.5
299.01978	1.0
300.02756	36.5
300.99863	2.2
301.03442	18.8
302.03671	1.0
313.05667	32.5
314.06067	1.5
376.59402	0.8
433.07748	40.6
434.07956	4.3
450.07553	1.3
451.07675	1.5
452.08325	100.0
453.08621	8.0
453.14206	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	885.485
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03313	1.0
71.01254	15.1
71.62039	0.4
72.99175	1.2
73.02832	2.3
80.02542	1.1
81.03331	1.7
83.01260	1.6
83.04887	5.4
84.02045	0.6
85.02802	3.1
87.00753	4.0
88.64397	0.4
89.02313	13.7
95.01280	1.5
95.04893	0.6
97.02829	2.3
99.00741	0.9
101.02322	11.8
113.02325	7.7
119.03381	3.7
124.01588	0.6
125.02352	5.9
125.06005	0.5
131.03386	0.7
133.05005	0.6
135.08051	0.7
143.03455	2.3
145.04936	0.4
149.04434	0.6
161.04480	3.0
163.11201	4.3
165.12773	2.3
179.05493	3.0
181.12172	0.6
191.10733	0.8
192.83093	0.5
209.11766	100.0
210.12123	4.1
217.07132	0.5
221.06633	1.4
227.12833	12.6
228.13297	1.0
229.76840	0.4
235.08189	6.0
251.12837	0.6
253.09270	0.9
277.21710	53.3
278.22086	3.5
287.07706	1.6
305.08701	2.4
323.09818	0.9
353.31729	0.4
379.12466	4.6
397.13495	36.3
398.13727	1.8
415.14590	9.2
485.85934	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	0.9
70.03995	1.3
71.01253	12.9
72.99178	1.4
73.02821	2.4
75.00713	0.3
80.02557	0.9
81.03326	2.1
83.01246	1.7
83.04902	5.2
84.02028	0.7
85.02822	3.8
87.00748	3.2
89.02318	11.5
91.03843	0.4
93.03360	0.3
95.01280	1.1
95.04892	0.6
97.02833	1.9
99.00751	0.5
101.02320	10.1
110.90768	0.3
111.04407	0.5
113.02330	6.4
115.03883	0.3
119.03397	3.1
119.27712	0.3
125.02335	5.1
125.05974	0.5
131.03378	0.8
135.08038	0.7
139.03860	0.2
139.07449	0.2
143.03419	2.7
147.11740	0.3
149.04460	0.4
161.04478	2.8
163.11194	3.7
165.12759	2.7
179.05544	3.5
181.12299	0.8
191.10670	1.3
199.06047	0.4
209.11769	100.0
210.12083	5.1
217.07124	0.7
221.06580	1.4
227.12833	10.1
228.13225	0.5
235.08237	5.1
251.12875	0.6
253.09163	0.5
259.08115	0.4
262.13306	0.2
263.07605	0.3
277.21716	40.7
278.22119	3.5
287.07693	1.6
291.23367	0.3
305.08777	1.9
323.09845	0.8
379.12482	4.6
397.13495	29.0
398.13907	2.0
403.28741	0.3
415.09009	0.5
415.14572	8.3
416.14774	0.5
488.92484	0.3
589.25488	0.6
607.26050	0.9
673.56158	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74553	1.1
61.98707	18.9
69.03329	1.5
71.01255	28.0
71.55489	1.1
72.99189	3.1
73.02811	4.1
78.95787	1.2
80.96366	2.0
81.03326	4.6
83.01270	5.0
83.04903	4.6
83.68480	1.1
84.02026	1.2
85.02821	9.6
87.00763	8.0
89.02314	21.2
95.01282	3.1
97.02832	13.1
99.00744	3.4
101.02313	26.0
102.43082	1.2
109.06480	33.9
110.03553	1.5
111.04422	1.5
113.02328	12.3
116.92724	1.5
119.03380	6.3
121.06460	2.4
125.02356	11.1
127.78323	1.1
129.01811	1.2
135.08047	5.2
136.05185	2.4
139.03885	1.8
141.01778	2.2
142.02631	3.7
143.03429	3.4
161.04477	4.8
161.09579	2.2
163.11192	23.6
165.27219	1.1
171.35918	1.1
174.01694	1.1
174.76892	1.5
179.05539	5.3
181.12234	4.2
185.51428	1.3
189.09097	1.6
207.10207	100.0
208.10475	6.0
209.11819	17.9
212.92653	1.1
221.06628	2.1
225.11266	34.3
226.11586	2.5
227.12923	1.9
235.08174	6.5
253.09248	2.2
260.90588	1.2
270.15253	1.2
277.21686	10.0
279.23294	90.5
280.23581	7.0
287.07617	2.4
305.08746	1.3
379.12488	8.6
397.13474	53.0
398.13837	2.4
415.14542	16.1
416.14865	1.6
464.60568	1.3
587.24127	1.6
605.24670	5.7
623.25360	3.3
677.38190	1.8
698.00885	1.4
867.49084	1.5
885.48486	53.3
886.49005	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	885.4848
Annotation	Microtoenin A
Peak:m/z	Relative Intensity
61.98703	14.6
69.03310	3.4
70.78694	1.3
71.01252	33.4
71.14838	2.7
71.15163	1.7
72.99174	5.1
73.02811	5.1
79.95631	1.6
80.96371	1.9
81.03349	2.5
83.01254	3.8
83.04863	2.9
85.02828	8.8
87.00761	4.9
89.02320	24.0
95.01270	3.4
96.95885	2.2
97.02825	6.0
97.06461	2.1
99.00759	2.2
101.02321	24.0
109.06467	5.0
113.02352	12.5
119.03362	5.6
125.02351	9.3
131.03375	1.8
135.07988	1.4
143.03358	4.1
161.04504	2.5
163.11150	4.9
165.12785	9.3
169.01384	1.9
179.05505	3.2
181.12302	1.7
183.13837	46.9
190.29053	1.6
194.58066	1.5
199.13321	4.3
207.10210	18.3
208.10512	2.7
209.11838	26.9
210.12036	2.1
221.06604	3.1
225.11343	16.7
226.11627	3.2
227.12871	12.4
235.08160	5.2
253.09108	2.3
277.21722	78.8
278.22128	8.9
279.23343	7.4
280.23618	1.7
379.12320	4.1
397.13531	31.0
398.13718	5.9
398.36136	1.6
399.14005	1.7
415.14743	8.6
416.15060	2.4
576.32983	1.6
607.25928	2.6
625.26715	2.8
885.48456	100.0
886.48688	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	885.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
66.43357	0.6
71.61836	0.6
74.72942	0.6
86.58481	0.6
93.72145	0.6
116.92737	1.0
125.02333	2.0
141.71938	0.8
151.00261	0.8
168.00560	0.8
168.96184	0.7
169.01328	2.1
195.04492	0.7
208.23251	0.7
255.02988	1.2
256.03430	0.6
267.03128	0.8
271.02405	2.2
272.02753	1.8
279.02768	1.0
291.67142	0.6
295.02545	1.7
300.02789	3.2
300.99982	0.7
301.03168	2.5
302.03403	1.2
316.02197	2.6
317.02594	1.4
318.03442	0.8
322.00937	0.7
323.01913	1.8
330.60007	0.7
333.00464	0.7
335.02042	1.9
338.00653	1.4
338.07761	0.7
339.01337	2.5
349.00327	0.7
351.01236	2.9
365.99942	1.1
367.00836	2.7
379.01001	2.7
395.00467	2.5
404.98828	1.4
407.00531	0.9
422.99799	1.6
432.98657	3.6
433.07855	3.6
434.08026	1.8
435.08270	2.1
436.08319	0.9
449.07242	2.6
450.07446	2.5
450.99429	100.0
451.99765	10.9
465.06747	1.8
543.80597	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77778	4.7
61.98705	42.1
70.92281	10.2
70.92677	9.0
71.01247	28.7
73.02826	5.0
78.95763	6.1
79.95631	8.2
80.96400	8.7
83.01265	4.8
85.02794	9.1
85.17603	3.8
87.00759	9.9
89.02322	15.7
97.02845	10.4
99.00793	4.4
101.02348	21.2
109.06460	20.2
113.02336	10.5
118.21319	4.1
119.03450	6.1
125.02338	11.0
126.90286	16.4
128.03387	5.8
143.03401	5.4
143.14998	4.5
144.39749	4.2
161.04463	5.2
163.11186	17.9
164.98476	5.1
171.10164	9.0
177.08627	5.1
179.05493	4.5
201.28734	3.8
207.10204	77.5
211.13303	11.3
225.00607	5.1
225.11275	61.8
235.08212	16.3
243.12282	4.1
253.09320	15.9
277.21719	100.0
279.23300	5.1
309.20773	8.4
327.21771	43.7
388.22244	5.1
397.13449	35.3
415.14395	15.1
437.16794	5.2
575.58020	4.8
605.24365	10.0
623.25916	11.9
627.32697	5.4
883.46875	45.5
884.46661	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	883.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01760	0.5
69.03324	2.7
71.01255	26.9
71.04879	0.7
72.99183	2.0
73.02824	5.0
80.02536	1.3
81.03329	3.9
83.01247	3.3
83.04887	2.7
85.02831	6.8
87.00753	7.4
89.02318	23.1
90.54696	0.6
93.03335	0.7
95.01270	2.0
97.02828	12.4
99.00769	3.7
101.02321	19.6
107.04922	1.2
109.02812	0.9
109.06479	33.6
110.03629	2.7
111.00766	1.7
111.04421	1.1
113.02342	12.4
119.03407	6.2
121.06493	2.2
123.04412	0.9
123.83236	0.6
125.02333	8.5
125.09589	0.7
131.03416	0.8
135.08063	4.3
136.05206	2.5
141.01813	1.2
142.02641	2.0
143.03418	3.3
145.10114	1.1
161.04475	3.6
161.09598	2.8
163.11205	21.6
164.11554	1.1
179.05513	5.1
179.10699	0.8
181.05029	0.6
181.12241	4.8
189.09138	1.9
207.10204	100.0
208.10510	4.3
209.11719	1.9
217.07120	1.3
221.06654	2.0
225.11281	39.6
226.11554	1.2
235.08214	6.9
243.12389	1.8
245.06700	0.7
253.09227	1.8
259.20322	0.6
277.21725	74.5
278.22043	4.2
281.13904	0.6
287.07724	1.6
299.15021	1.7
305.08847	2.2
323.09839	1.3
379.12503	5.3
397.13504	52.6
398.13861	3.0
415.14606	13.4
441.33743	0.7
587.23566	1.4
605.24414	5.8
623.25452	4.2
675.35645	0.9
865.45856	1.4
883.46979	48.8
884.47241	9.4
884.63037	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4694
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	1.8
70.31956	2.2
71.01254	23.4
72.99156	1.4
73.02811	4.2
75.55817	0.7
80.02562	1.2
81.03333	3.3
83.01254	1.9
83.04874	2.9
85.02823	5.2
87.00747	5.4
89.02315	16.3
93.03331	0.8
95.01266	1.4
95.04929	0.9
97.02835	9.7
99.00778	3.3
101.02318	17.6
107.04955	1.0
109.02825	0.8
109.06476	32.4
110.03621	1.6
111.00775	1.3
111.04421	1.0
113.02331	9.6
119.03413	4.7
121.06478	2.3
123.04440	0.7
125.02323	4.8
125.21842	0.6
131.03395	0.7
135.08052	4.5
136.05167	2.1
141.01843	1.6
142.02650	2.9
143.03430	3.5
161.03391	0.5
161.04492	4.3
161.09595	1.7
163.11194	17.4
163.12509	1.2
164.11517	0.7
179.05565	5.7
179.10696	1.1
181.12225	5.0
189.09160	2.6
207.10204	100.0
208.10614	3.6
209.11739	3.8
221.06639	3.0
221.37025	0.6
225.11267	45.1
226.11618	2.0
235.08179	6.1
243.12343	1.6
253.09213	0.9
263.07596	0.8
277.21722	50.6
278.22098	3.4
281.13998	0.8
287.07755	1.9
305.08804	2.3
323.09970	1.1
379.12436	6.2
397.13464	39.2
398.13947	1.5
415.14551	14.1
441.33868	1.0
465.20731	0.6
518.19232	0.7
587.23425	1.4
605.24402	7.0
623.25580	11.6
865.45532	1.2
883.46924	52.6
884.47449	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	883.339
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98727	1.3
66.48134	0.5
67.01777	0.7
69.03321	0.6
71.01260	3.4
71.57810	0.9
72.99185	0.5
81.03339	0.7
83.36835	0.5
85.02846	0.7
87.00763	1.4
89.02333	1.0
93.03331	3.8
94.92709	0.5
95.01271	1.4
95.33433	0.5
96.95900	0.8
97.02848	0.6
99.00768	0.6
101.02330	0.9
107.01280	1.3
109.02822	0.9
109.06479	0.8
111.00783	0.7
113.02361	0.7
114.11255	0.6
115.00262	1.1
121.02836	6.9
122.03639	14.4
123.00781	2.9
123.04415	0.6
124.01603	0.8
125.02352	8.5
133.02859	2.4
134.03667	1.1
135.04422	2.0
136.01569	11.9
137.02318	2.5
137.05971	0.7
147.04500	0.8
149.02354	19.2
150.03137	97.5
151.00291	2.9
151.03931	13.2
155.07028	4.4
160.05220	0.7
161.02362	1.1
162.03069	1.1
163.00310	0.9
163.03860	1.3
164.04709	4.5
165.05492	100.0
166.02640	9.0
166.05836	2.5
166.99785	2.4
167.03386	0.8
169.01353	10.6
172.05156	0.7
173.02356	0.8
175.02386	2.1
175.03935	1.5
177.01823	0.6
177.05478	0.7
180.04218	6.5
181.04987	10.1
185.11835	0.6
189.01837	0.8
189.05524	0.7
190.06230	1.7
191.03441	1.0
195.06569	85.9
196.06895	2.2
207.10329	0.9
209.11818	4.3
211.13399	0.7
217.01437	0.8
217.72392	0.6
225.11304	0.9
227.12698	0.8
229.01343	1.5
245.00821	1.1
270.98935	0.8
273.00345	0.9
274.00891	0.6
275.01883	1.3
298.98343	1.0
299.99103	2.2
300.99939	8.4
302.00229	1.4
329.10342	1.1
342.10989	1.0
356.12701	0.6
357.09653	3.9
357.13443	6.5
369.13388	0.7
372.12064	3.2
373.12897	0.6
387.14493	32.4
388.14658	1.7
397.13464	1.0
451.02484	0.9
452.03168	1.2
466.02603	0.8
467.03241	1.1
476.53552	0.6
535.19794	12.6
536.19843	1.2
553.20532	1.5
565.20575	0.8
583.21906	20.8
584.21814	1.5
718.39044	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	1.4
69.03333	1.6
69.76212	4.5
69.76628	1.6
71.01258	9.4
73.02808	1.6
75.00740	1.3
85.02831	1.2
87.00768	2.7
89.02287	1.2
93.03347	5.3
94.97969	1.4
95.01263	4.5
96.95882	1.9
97.02845	1.7
99.00777	1.8
101.02337	3.1
107.01270	4.1
108.02065	1.5
109.02808	1.2
111.00755	1.6
113.02297	2.4
115.00258	3.4
119.03376	1.3
121.02827	11.8
122.03616	15.5
123.00771	6.9
123.04385	2.8
124.01599	2.2
125.02345	17.9
126.02648	1.2
128.90669	1.1
132.01987	1.2
133.02878	2.4
134.03624	1.4
135.04410	8.8
136.01570	25.3
137.02391	6.0
137.05952	1.2
138.62158	1.1
139.00237	1.8
139.03915	1.2
141.01875	1.1
145.02876	1.2
147.04388	2.7
149.02356	34.1
149.06046	1.7
150.03137	100.0
151.00342	5.9
151.03928	33.8
152.01024	1.7
155.07056	4.4
161.02394	2.5
161.05943	1.8
163.00293	1.6
163.03891	4.0
164.04703	5.4
165.05495	97.9
166.02643	18.3
166.05803	2.7
166.99808	5.4
167.03334	3.5
168.00507	1.8
169.01352	22.7
170.01669	1.6
172.05251	1.3
173.02368	1.6
174.03040	1.2
175.02382	5.5
175.03931	5.6
177.01848	2.1
177.05499	2.2
180.04214	6.7
181.05000	20.9
187.00380	1.6
189.05530	4.3
190.02725	1.0
190.06334	6.2
191.03448	2.0
195.06567	60.4
196.06914	2.1
197.11729	4.2
198.12093	2.3
199.13298	1.1
201.01814	1.2
203.03456	1.2
205.08630	1.6
209.11771	13.6
210.12109	3.4
217.01315	2.4
221.08279	1.8
225.11209	1.2
227.12971	1.3
229.01358	1.3
242.99281	1.3
245.00865	1.9
247.02515	2.1
257.00891	1.3
273.00229	1.6
275.01932	3.1
282.05240	2.0
298.98346	3.5
299.99225	5.4
300.99878	22.5
302.00168	3.5
315.08655	2.1
329.10349	3.1
342.11084	2.5
350.45505	1.0
355.11810	1.2
356.12634	2.7
357.09692	5.0
357.13428	12.3
358.13519	1.3
369.13351	1.2
372.12085	4.0
373.13040	2.3
383.26230	1.3
386.13748	2.5
387.14484	65.3
388.14734	3.4
428.50732	1.2
452.02893	1.8
490.15994	1.7
505.18607	4.0
510.57278	1.1
535.19745	74.9
536.20142	8.9
553.20880	2.0
565.20801	1.7
583.21814	42.3
584.22430	5.4
719.90308	1.1
850.37634	4.0
851.38391	9.2
883.18555	1.2
883.40625	3.2
918.90753	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
64.55304	0.8
65.00211	1.1
68.14491	0.7
71.57368	0.8
71.57715	0.9
83.01215	0.7
93.05238	0.7
107.01266	2.4
108.02090	1.5
109.02843	1.8
109.99968	4.2
111.00745	2.3
123.00761	2.0
125.02335	3.3
128.75479	0.8
136.01530	0.7
136.98706	0.9
137.02298	0.8
137.99500	1.8
139.00266	8.0
139.25533	0.6
140.00964	0.8
151.00266	7.2
152.01056	0.9
153.01776	1.0
160.62778	0.7
163.00223	1.6
164.01048	1.4
165.05293	0.7
165.99022	5.5
166.99817	3.9
168.00452	3.7
169.01326	3.9
178.99791	7.1
181.01273	0.8
185.02310	1.0
189.01944	0.9
191.03554	0.9
191.05531	1.4
193.98418	1.0
194.99234	1.0
198.03165	1.4
199.03992	2.0
201.01898	1.1
203.03453	1.3
214.02690	1.4
215.03413	2.1
216.04385	0.8
226.02516	1.3
227.03554	4.2
229.01311	1.0
231.02844	1.1
242.02176	1.8
243.02982	6.6
255.02991	9.4
259.02344	1.9
270.01773	4.1
271.02466	36.0
272.02911	4.0
273.03973	1.3
275.01740	0.8
275.09167	1.1
287.01968	19.1
288.02524	2.7
298.01126	2.0
298.98682	1.4
299.02014	16.4
300.02744	30.6
300.99878	3.2
301.03391	19.8
302.03812	1.5
315.01535	1.3
316.02222	50.3
317.02969	28.5
318.03271	1.7
431.06335	1.0
433.07751	42.1
434.08102	5.9
447.05563	1.2
448.06149	2.9
449.07211	100.0
450.07693	8.5
677.87085	1.1
679.26514	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.397
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	100.0
71.01261	0.3
71.57366	0.3
75.89838	0.2
89.02304	0.3
95.13512	0.2
96.95915	0.3
121.02844	0.2
123.00764	0.4
125.02377	1.3
127.75026	0.2
129.01834	0.5
169.01379	1.6
190.31892	0.2
191.05621	0.3
196.61772	0.2
207.10228	0.2
209.11725	0.4
211.13237	0.5
212.13498	0.3
227.12825	0.3
300.99896	0.8
314.41879	0.2
397.13577	0.5
432.67816	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.397
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	100.0
71.01261	0.3
71.57366	0.3
75.89838	0.2
89.02304	0.3
95.13512	0.2
96.95915	0.3
121.02844	0.2
123.00764	0.4
125.02377	1.3
127.75026	0.2
129.01834	0.5
169.01379	1.6
190.31892	0.2
191.05621	0.3
196.61772	0.2
207.10228	0.2
209.11725	0.4
211.13237	0.5
212.13498	0.3
227.12825	0.3
300.99896	0.8
314.41879	0.2
397.13577	0.5
432.67816	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01248	26.6
71.57156	2.0
72.01582	2.7
72.99190	4.0
73.02809	5.2
81.03329	3.1
83.01273	4.3
83.04899	4.0
85.02823	9.0
87.00754	8.7
89.02324	22.1
95.01289	3.4
97.02812	3.9
99.00758	5.5
101.02312	17.4
112.98677	7.1
113.02325	13.8
115.00240	4.8
119.03406	6.9
125.02335	9.8
127.11138	5.0
141.01611	5.2
142.99760	9.9
143.03366	4.1
161.04442	7.8
163.11246	3.7
165.09129	2.4
173.00806	2.5
174.01588	9.9
175.02390	7.5
179.05493	4.7
185.11754	2.3
197.11755	2.9
201.11258	80.8
202.11659	3.7
207.10300	3.2
209.11768	100.0
210.12083	3.5
211.13348	19.3
223.13438	2.8
227.12852	12.8
235.08162	11.7
253.09212	4.3
255.23264	73.7
256.23654	7.4
277.21741	30.9
282.49509	2.4
287.07953	2.5
293.21252	11.9
305.08704	4.4
309.20651	5.1
379.12299	14.1
397.13495	70.4
398.13962	3.5
415.14542	12.2
542.37494	2.2
581.24377	2.8
653.37518	4.9
821.42010	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	881.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	15.1
63.29762	0.5
69.03314	2.7
69.17147	0.6
69.72712	4.2
71.01257	28.9
72.01595	0.6
72.10577	0.5
72.99184	2.0
73.02827	3.2
78.95760	0.5
79.82339	0.6
81.03340	1.0
83.01261	1.8
83.04883	0.6
85.02827	5.1
87.00751	4.6
89.02325	19.0
93.03344	0.9
95.01260	1.5
97.02844	2.6
99.00782	0.8
100.84924	0.6
101.02329	14.7
108.81091	0.6
109.06451	1.4
113.02338	9.2
119.03381	3.7
120.05071	0.5
125.02335	7.3
125.63681	0.6
126.90369	0.7
143.03433	3.2
145.54700	0.7
156.98875	0.6
161.04469	4.3
167.03421	0.9
167.10724	3.1
171.10167	1.2
179.05533	5.1
179.10712	1.3
179.14337	3.7
195.13850	11.3
205.12277	10.8
209.11778	1.7
217.07130	1.0
221.06554	1.8
223.13361	100.0
224.13712	4.5
235.08203	5.8
253.09206	0.9
255.23296	2.3
263.07669	0.7
277.21729	57.6
278.22101	4.2
287.07834	2.0
305.08792	1.9
323.09900	1.5
379.12436	7.0
397.13535	37.1
398.13922	3.1
415.14597	11.9
415.19916	1.2
476.41434	0.6
603.26672	5.2
621.27948	6.6
700.41907	0.8
819.25708	0.6
881.49695	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	881.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98717	1.2
69.03311	1.0
71.01257	15.6
72.99188	1.6
73.02826	2.3
75.00744	1.1
80.02555	1.3
81.03336	3.0
83.01268	3.8
83.04905	6.9
84.02023	1.5
85.02847	3.8
87.00736	4.4
88.98681	0.6
89.02320	13.1
95.01256	2.7
95.04926	1.5
96.95951	0.5
97.02851	2.8
97.06448	0.7
98.20594	1.0
99.00770	0.6
101.02327	11.7
105.55036	0.5
107.01270	0.7
109.02856	0.6
111.00780	0.8
111.04354	0.5
111.08076	0.5
113.02335	6.2
115.00291	1.2
119.03415	3.2
123.00777	1.7
125.02338	9.0
125.05975	0.5
125.09624	3.4
127.11176	1.0
129.55597	0.5
129.77061	0.5
131.03441	0.7
135.02895	1.2
135.08087	0.7
139.03954	0.7
143.03404	2.0
147.11707	0.6
150.03067	0.7
161.04448	2.4
163.11194	5.6
165.12746	2.1
166.99738	1.3
167.03510	0.7
168.00502	0.6
169.01364	6.1
170.01776	0.5
171.10210	2.3
171.11519	0.5
175.02386	3.5
179.05559	3.9
181.12286	1.0
182.13023	0.5
191.10690	3.6
193.05165	0.5
207.10266	0.6
209.11780	100.0
210.12105	3.9
211.13370	1.0
221.06589	1.5
223.13324	0.6
227.12831	11.3
235.08235	4.3
241.14542	0.8
243.16028	0.6
251.12924	0.9
253.09244	0.8
263.07733	0.5
270.98880	0.4
273.17078	99.5
274.17450	5.3
275.02023	0.6
287.07712	1.8
297.17221	0.5
298.98300	0.9
299.99124	1.9
300.99887	5.0
301.99823	0.5
305.08810	1.9
323.09775	1.3
341.65967	0.5
379.12476	4.0
385.48871	0.5
397.13507	34.9
398.13739	1.9
415.14633	10.0
416.14694	0.7
452.02869	0.6
463.02490	0.4
465.28439	1.6
517.77301	0.6
607.26398	0.9
671.30920	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	881.4031
Annotation	Velpatasvir
Peak:m/z	Relative Intensity
69.03331	3.2
71.01257	27.3
71.57879	1.7
72.99166	2.4
73.02823	4.1
75.00752	3.2
76.39811	1.4
80.02555	1.9
81.03333	3.4
83.01276	4.9
83.04902	9.1
84.02032	2.7
85.02827	7.5
87.00746	7.2
89.02317	16.5
90.19302	1.8
95.01287	3.4
96.95902	7.6
97.02843	2.0
97.06477	1.6
101.02335	17.0
107.01266	2.9
111.00732	3.0
113.02354	7.8
115.00246	3.1
119.03416	4.9
121.02829	1.8
123.00777	4.6
125.02348	19.2
135.08127	1.6
137.02341	2.6
143.03423	2.0
150.03133	1.6
151.11220	2.4
161.02361	1.5
161.04500	3.0
163.11189	4.8
164.99655	1.4
165.05467	3.9
165.12746	3.6
166.99823	2.5
169.01366	21.5
169.12270	25.5
175.02415	4.0
177.01923	2.6
179.05505	2.3
179.10675	1.9
191.05585	2.1
191.10544	1.9
195.06386	1.9
197.11774	59.2
198.12088	3.5
201.01956	2.3
209.11769	100.0
210.12088	4.7
214.61313	1.7
221.06714	3.6
227.12830	6.9
235.08286	2.0
248.03316	1.8
259.09695	1.6
263.14200	1.5
270.17889	1.7
270.98657	2.3
275.02069	3.2
298.98334	2.1
299.99149	5.8
300.99994	19.4
301.03241	2.2
351.24719	1.6
358.41049	1.8
397.13669	6.0
415.14563	2.3
628.39288	1.6
656.41144	1.7
849.37616	65.6
850.37396	10.9
881.40332	70.1
882.40472	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	881.4029
Annotation	Velpatasvir
Peak:m/z	Relative Intensity
61.98695	4.0
65.03807	0.8
67.01744	1.2
67.75722	0.9
69.03338	6.8
71.01257	18.9
71.04887	2.1
72.99189	2.5
73.02815	3.0
74.83887	1.0
77.29440	0.8
80.02540	2.0
81.03336	1.8
83.01252	3.7
83.04906	7.5
85.02823	4.2
87.00755	5.8
88.98668	3.4
89.02335	11.1
95.01253	4.6
95.04908	1.7
96.95911	1.7
97.02838	3.3
97.06460	1.0
99.00741	2.1
101.02320	11.1
101.60453	0.9
107.01244	3.7
111.00795	1.8
113.02327	6.9
115.00258	3.4
116.92764	1.5
119.03394	3.1
123.00775	4.5
123.08051	1.5
125.02346	16.6
125.06010	1.6
125.09621	3.7
135.02904	1.3
135.04517	1.1
135.08084	1.5
136.01587	1.7
139.00227	1.4
140.00996	1.1
145.02910	1.1
149.02341	1.4
150.03151	4.7
151.03929	1.9
151.11143	4.4
153.12694	1.4
161.04425	2.2
161.09621	3.8
163.00287	2.3
163.11194	6.2
164.04823	1.0
165.05495	6.9
165.12782	2.9
166.99789	2.5
169.01337	17.4
175.02431	5.9
179.05551	1.3
179.10750	8.2
181.04953	2.0
181.12376	0.9
189.01912	1.0
191.05579	1.4
191.10767	1.6
195.06572	4.5
197.11774	62.8
198.12126	2.0
209.00975	1.0
209.11777	80.8
210.12184	3.7
216.00302	1.0
217.01363	1.4
221.06554	2.6
223.09682	1.5
227.12798	3.1
235.08147	1.1
241.10909	4.8
242.99396	1.1
245.00798	1.4
253.09169	1.2
261.00296	1.0
270.98776	1.3
273.00378	1.6
275.02063	2.8
298.98312	2.1
299.99057	5.3
300.99918	13.0
387.14377	2.3
397.13544	3.4
415.14716	1.4
452.03094	2.1
466.03079	2.5
534.69940	1.0
573.74304	1.1
639.25098	2.0
647.55487	1.1
743.32141	1.1
769.11871	1.2
849.37616	100.0
850.37695	9.5
881.40283	35.5
882.40845	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	881.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02236	0.6
65.00189	0.8
67.48234	0.4
68.72439	0.4
70.51059	1.0
70.51405	0.8
75.78627	0.4
80.50548	0.4
83.01272	0.9
107.01318	2.1
107.01871	0.4
108.02065	1.0
109.02834	1.0
111.00725	0.6
121.02845	1.2
125.02312	0.8
136.98633	0.4
139.00220	1.0
140.00990	0.9
148.01549	1.1
151.00270	5.3
153.01843	0.5
163.00275	1.6
164.01068	0.6
168.00586	3.4
169.01323	1.2
178.99826	2.7
199.03796	0.7
215.03413	0.7
226.02660	1.4
227.03464	3.9
229.01439	0.6
243.02985	7.7
244.03552	0.8
245.04559	0.6
254.02144	1.7
255.02969	21.3
256.03348	1.9
269.00964	1.1
271.02472	38.4
272.02850	2.9
273.04010	0.7
284.03360	3.6
285.03812	1.0
286.01190	0.8
287.01917	1.3
297.00351	1.6
298.01270	0.7
298.98376	0.5
299.02066	1.3
300.02734	96.1
301.00064	0.9
301.03409	23.0
302.03891	1.3
315.01450	2.5
433.07748	100.0
434.08041	8.0
447.05212	2.8
447.09592	3.0
448.05728	0.6
448.11032	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	881.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61864	11.3
91.42284	1.8
107.01258	1.5
113.26314	2.0
125.02318	1.9
151.00232	3.3
169.01363	2.2
177.78850	1.6
178.99808	3.0
199.90288	1.5
224.54851	1.5
227.03456	3.4
243.02980	3.2
255.02945	13.2
270.98846	11.1
271.02454	22.1
297.00461	2.5
298.98380	15.1
299.99069	76.1
300.02731	65.5
300.99527	7.3
301.03357	17.6
314.00760	12.8
315.01456	73.9
316.01837	5.3
363.63156	1.5
424.70676	1.8
433.07751	63.6
434.08124	4.0
447.05624	100.0
448.05850	11.3
488.88388	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	879.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01271	8.1
75.75801	3.2
78.25425	3.6
78.98484	7.0
79.95607	62.0
80.96391	95.6
87.00679	3.9
87.27436	3.1
94.97964	20.4
98.20552	8.8
104.18324	3.8
106.97964	6.0
107.48087	3.8
122.97517	4.7
125.02300	4.7
134.97430	9.3
148.99043	8.8
152.98491	8.0
164.98538	19.7
225.00728	39.6
229.36473	5.7
231.03923	3.5
241.00203	4.4
378.22650	4.3
453.14536	8.6
537.26941	5.9
700.53632	4.1
709.38422	100.0
710.38757	14.8
737.40503	7.0
765.41156	13.0
766.41315	4.4
781.40411	7.4
879.47845	37.4
880.48071	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	879.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	8.9
62.80361	2.6
71.01253	20.9
71.57732	3.0
72.99189	6.6
73.02810	3.6
75.00764	3.5
81.32415	2.5
83.01265	3.2
83.04907	7.0
87.00773	5.0
88.98678	9.2
89.02306	13.8
95.01286	3.6
95.70999	2.2
96.95921	4.3
97.02807	3.4
101.02332	9.8
107.01296	3.6
109.06464	2.6
113.02384	5.9
123.00861	3.3
125.02341	14.4
163.11130	5.4
165.12766	2.5
169.01341	17.2
175.02391	2.8
176.64975	2.3
183.13857	5.8
207.10222	2.9
209.11774	100.0
210.12160	3.4
211.13345	73.9
227.12769	13.8
235.08194	6.2
253.09241	3.0
275.02097	2.8
278.37823	2.3
287.07651	3.0
299.99194	3.5
301.00000	9.2
305.08710	2.8
357.26419	4.1
379.12540	7.9
397.13504	32.2
415.14563	5.1
489.53809	2.6
493.15421	2.7
515.67249	2.8
591.27118	3.4
607.25989	3.6
609.26917	4.4
879.44763	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	879.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
68.47700	0.9
71.57430	1.5
95.15047	1.1
107.01275	1.3
107.15200	0.8
114.38215	0.9
123.00756	2.4
125.02334	7.0
132.09167	1.0
133.27608	0.8
151.00262	2.0
169.01408	7.4
174.49094	1.1
183.04427	1.3
203.03165	0.8
211.04037	1.3
227.03456	36.3
228.03828	2.6
229.04951	1.5
255.02962	50.8
256.03644	6.7
269.97986	7.4
284.03271	61.7
285.00360	6.2
285.03946	16.0
297.97568	18.1
300.99887	3.6
301.03146	1.3
312.99893	33.6
314.00275	1.9
328.02252	24.0
329.02542	1.8
417.08258	100.0
418.08597	7.9
446.04477	1.5
456.11105	1.1
461.07242	47.4
462.07596	3.5
638.84149	1.2
689.46051	1.2
727.11243	1.5
879.12378	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	877.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	3.9
71.01250	14.6
71.04862	1.2
72.99181	1.8
73.02837	2.3
83.01263	1.4
85.02824	2.8
85.09092	1.0
85.33205	1.0
87.00742	1.8
89.02325	9.2
95.01277	1.8
97.02827	1.7
97.06450	1.3
98.20674	2.5
98.50472	1.1
99.00788	1.9
101.02322	9.3
111.04376	1.0
113.02335	3.8
116.92761	1.6
118.92547	1.3
119.03370	2.8
121.02832	3.0
125.02304	3.6
125.09594	1.8
137.02303	1.2
151.11174	2.2
161.09592	2.8
165.85983	1.1
179.05475	1.6
179.10686	5.1
197.11758	35.9
198.12099	1.2
209.11795	4.3
223.09737	1.3
235.08308	1.2
241.10802	2.5
255.23271	39.4
256.23657	3.8
277.21707	1.6
283.88495	1.0
387.38284	1.2
397.13477	3.7
433.27502	1.1
671.75055	1.3
737.93188	1.2
859.45325	1.7
877.48035	100.0
878.48364	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	877.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	19.1
71.57194	1.9
72.99169	1.4
73.02820	3.2
81.03313	2.0
83.01273	3.0
83.04897	3.3
85.02811	3.2
87.00763	4.8
89.02319	16.3
95.01279	1.6
97.02843	4.0
101.02320	13.2
113.02328	6.8
116.92716	1.8
119.03385	3.9
125.02330	5.7
131.57675	1.3
131.64925	1.4
136.29875	1.3
143.03474	2.0
161.04462	4.0
163.11198	4.5
165.12779	2.0
179.05551	2.4
191.00897	1.4
209.11778	100.0
210.12096	2.9
227.12820	11.9
235.08220	5.7
247.91299	1.6
255.23248	1.7
260.83151	1.6
267.28378	1.6
269.24854	59.1
270.25165	3.8
277.21643	8.1
287.07877	2.3
305.08975	2.6
308.52386	1.5
319.39410	1.5
379.12326	8.6
397.13528	39.0
398.13867	2.2
415.14520	9.6
677.20349	1.7
904.86542	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	877.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98694	4.2
65.06593	2.2
69.03330	3.2
70.57207	5.8
70.57601	7.1
71.01260	37.9
72.99190	7.0
73.02812	5.4
81.03333	4.8
83.01261	5.5
83.04910	4.6
84.03188	2.7
85.02830	7.3
87.00749	8.5
88.98680	47.9
89.02316	27.6
93.03309	2.7
94.07928	2.3
95.01264	4.9
96.95904	4.3
97.02832	16.8
99.00772	5.0
101.02325	20.6
107.01265	3.3
109.06478	47.2
111.00824	2.4
113.02340	11.1
116.31684	2.4
119.03336	5.7
123.00745	3.7
125.02338	22.6
125.09609	2.6
131.03447	2.3
135.08054	5.2
142.02638	4.7
161.04457	5.0
161.09584	5.0
163.11176	25.3
165.75388	2.9
166.99725	3.2
169.01314	22.1
171.10069	3.0
179.05498	5.9
181.12286	6.5
183.13863	10.1
207.10205	100.0
208.10510	7.7
209.11877	7.6
211.13327	97.6
212.13640	5.4
221.06595	4.7
225.11259	63.8
235.08215	6.2
270.99036	3.2
273.17148	5.0
300.99838	6.9
311.65753	2.9
311.69336	2.4
335.10373	2.7
355.23001	3.0
357.24118	2.8
379.12396	5.0
383.22296	3.7
391.25134	4.7
397.13437	34.2
401.23389	12.7
415.14795	13.6
419.24374	8.5
591.26886	3.1
605.24750	8.8
609.27271	3.0
623.25452	12.0
771.38440	11.0
781.36279	3.5
799.37573	41.6
800.37964	6.8
817.38660	58.2
818.38696	11.5
877.46338	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	875.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
61.11859	0.6
69.03326	1.3
70.85934	1.5
71.01256	16.5
72.99185	1.6
73.02818	2.8
80.02563	1.1
81.03335	2.8
83.01265	1.7
83.04902	6.3
84.02018	0.9
85.02837	3.8
87.00757	3.7
89.02319	15.2
95.01284	1.4
95.04947	1.1
97.02827	2.2
101.02330	11.9
109.02853	0.7
113.02331	7.0
116.92766	1.5
119.03391	5.0
125.02353	4.8
125.05997	1.1
131.03381	0.8
135.08022	0.8
139.03868	0.6
143.03380	1.8
161.04466	2.6
163.11162	3.7
165.12762	1.8
179.05534	3.8
191.10793	1.2
199.06035	0.9
209.11768	100.0
210.12170	4.2
221.06583	0.8
227.12851	11.4
235.08197	5.0
267.23282	57.7
268.23679	5.0
281.24945	0.7
287.07721	1.7
300.99734	0.8
305.08856	2.0
323.10077	1.1
379.12424	5.0
397.13483	35.5
398.13715	2.1
415.14551	7.4
607.26624	0.7
723.38043	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98717	1.6
69.03324	5.0
71.01251	22.4
71.36658	2.4
72.99154	2.6
73.02805	3.0
83.01250	1.7
85.02829	3.3
87.00753	6.4
88.98696	9.3
89.02322	17.8
95.01249	3.0
96.95898	5.8
97.02813	2.5
99.00748	2.1
101.02336	15.6
102.50406	1.6
103.49808	1.6
106.65251	1.4
112.47849	1.6
113.02332	10.6
116.92754	8.8
117.92689	2.0
119.03379	6.5
123.00755	1.9
125.02349	12.6
143.03383	2.4
157.93700	1.5
161.04440	3.3
166.99814	2.2
167.10684	3.4
169.01387	7.2
179.05534	5.0
179.14296	3.8
183.13805	7.7
193.12350	2.7
195.13831	6.4
205.12251	8.7
211.13335	100.0
212.13638	6.2
221.06596	2.2
223.13351	81.0
224.13626	4.9
227.79839	1.7
235.08174	4.5
283.42349	1.4
300.99979	4.3
305.08850	3.1
323.79245	1.8
379.12598	8.0
397.13504	36.4
398.13876	3.6
402.38007	1.6
415.14539	7.6
417.26758	1.8
427.19284	1.6
591.26501	5.9
603.26514	8.4
609.27417	7.0
621.27521	9.9
797.39355	2.1
815.40887	3.5
872.01324	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	871.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98717	0.7
69.03311	0.9
71.01247	3.5
71.56813	0.6
73.02822	2.1
82.95303	0.9
83.01264	0.8
83.04897	0.7
85.02823	2.5
89.02318	2.0
95.04926	0.6
96.95886	6.2
97.02847	1.1
97.06461	1.7
98.95469	1.1
99.00777	1.1
99.84192	0.5
99.92466	9.7
101.02328	2.6
113.02356	1.7
116.92745	100.0
116.97112	4.0
117.01791	3.3
117.92752	6.5
123.00748	0.6
123.08020	0.7
125.02357	1.2
125.09621	1.3
127.11153	0.8
163.11243	1.1
165.12849	1.2
169.01350	2.0
171.10194	8.0
183.13873	1.0
185.11761	1.7
191.14403	1.3
197.11755	4.1
207.10243	0.5
209.11772	11.0
210.12302	0.7
211.13345	4.7
221.11874	0.9
222.57767	0.6
227.12906	2.0
229.14444	2.2
235.08192	1.4
237.11131	0.9
239.12752	0.6
245.19112	2.4
253.09212	4.8
263.20105	0.8
289.18085	8.9
290.18506	0.6
291.19693	2.3
300.99847	1.3
307.19144	7.2
309.20587	4.5
327.21756	23.6
328.22141	2.3
397.13409	0.6
481.52066	0.6
542.06970	0.6
625.06366	0.6
706.41125	0.6
814.16364	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03313	1.9
71.01254	16.4
71.57053	1.2
71.57465	0.7
72.99163	2.2
73.02812	3.5
74.61125	0.7
75.00771	0.6
78.95756	1.3
80.02533	0.9
81.03331	2.0
83.01253	1.7
83.04886	5.9
84.02043	1.9
85.02814	4.6
87.00771	4.2
88.98686	0.9
89.02315	17.3
95.01246	2.1
95.04873	0.9
96.95905	3.9
97.02867	3.5
99.00761	1.9
99.92449	3.5
101.02324	11.9
113.02324	6.4
114.93316	1.1
116.92746	37.1
117.01862	1.0
117.92738	3.1
119.03395	4.5
123.00776	1.1
125.02342	7.2
125.05943	0.6
131.03406	0.8
135.50180	0.7
139.03951	0.9
143.03392	3.1
161.04440	4.3
163.11165	4.9
165.12735	2.6
166.99817	0.6
169.01347	1.8
171.10127	1.1
179.05522	3.5
181.12358	0.7
185.11606	0.6
191.10631	1.1
206.25742	0.7
209.11766	100.0
210.12146	4.4
211.13503	0.6
221.06586	1.1
227.12871	10.1
235.08217	5.0
236.08638	0.7
245.19096	0.7
253.09186	1.6
258.50851	0.7
263.20151	49.2
264.20514	1.7
277.21735	2.1
287.07739	1.3
291.19778	0.8
299.99237	0.7
300.99716	1.8
305.08728	1.7
311.22354	1.2
341.23276	1.5
346.95532	0.6
379.12415	4.5
394.49884	0.7
394.55045	0.7
397.13480	34.7
398.13971	1.6
415.14584	9.5
600.81860	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	1.4
71.01254	15.5
72.99193	0.7
73.02818	1.6
73.14337	0.6
83.01260	2.1
83.04905	0.8
83.85599	0.7
85.02824	2.8
87.00740	2.4
89.02318	13.4
95.01257	0.9
95.04904	1.9
97.02827	2.1
97.06470	3.6
99.00764	1.1
101.02322	9.0
113.02316	4.2
116.92737	1.1
119.03397	3.0
124.01391	0.7
125.02325	3.1
131.11278	0.7
133.10097	0.8
151.11191	12.6
161.04468	0.9
165.01257	0.6
169.12254	40.0
170.12596	1.7
179.05522	1.7
195.10214	1.0
208.14604	0.7
213.11240	7.3
221.06577	1.5
229.28690	0.9
231.91058	0.6
235.08128	1.2
253.75201	0.8
277.21722	31.8
278.22119	2.2
397.13565	7.2
398.13745	1.0
415.14554	2.7
467.34497	0.7
534.86371	0.7
545.32123	0.7
593.24542	1.9
611.25897	1.8
620.39001	0.7
621.29681	0.8
840.67572	0.7
871.46967	100.0
872.47174	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	871.41
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98709	3.8
70.08436	10.4
71.01248	20.9
72.90739	3.0
72.99165	3.2
73.66292	3.1
82.95269	4.4
85.02805	4.1
89.02315	13.6
96.95893	32.8
98.95485	2.7
101.02317	12.7
109.06499	3.7
113.02316	5.7
116.92720	9.6
119.03397	7.1
125.02329	12.0
169.01358	7.4
169.68040	3.0
171.10146	7.1
179.05362	4.6
183.13812	7.0
197.11757	4.8
199.09680	6.5
207.10089	6.4
209.11774	11.1
211.13342	100.0
225.11287	4.2
235.08192	5.9
253.09248	3.2
300.99838	4.5
309.20721	7.2
343.21240	5.0
353.53375	3.4
379.12262	4.3
397.13434	42.9
415.14386	8.3
591.26965	14.3
609.27405	18.6
610.18695	3.7
725.01080	4.0
755.34283	3.4
785.39954	6.8
803.40717	8.2
871.40656	24.4
872.41370	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	871.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03341	1.2
70.43844	1.5
71.01257	18.4
71.45506	0.5
72.99191	1.2
73.02820	2.4
75.00764	0.5
78.95800	0.6
80.05470	0.5
81.03335	0.8
83.01266	2.0
83.04896	1.2
85.02814	4.7
87.00752	2.8
89.02317	14.4
95.01275	1.1
95.04901	0.6
97.02835	2.0
97.06471	2.3
98.20446	0.5
99.00769	1.1
101.02328	12.1
113.02340	5.0
116.92719	1.2
117.01879	0.5
119.03371	2.7
123.00783	0.5
125.02358	4.9
128.90065	0.7
131.03406	0.8
143.03429	1.0
151.11201	11.3
161.04474	1.6
169.01315	1.1
169.12259	78.3
170.12640	2.3
179.05531	2.0
195.10231	0.7
213.11255	9.6
219.67931	0.5
221.06633	3.7
235.08191	1.2
247.70987	0.6
277.21722	19.2
278.22098	0.9
301.00208	0.6
360.56689	0.5
397.13492	4.5
415.14529	1.8
593.24579	1.4
611.25775	4.4
853.44672	0.6
871.46960	100.0
872.47186	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	871.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	10.5
71.01250	58.6
71.57369	11.2
78.95778	8.6
85.02822	16.1
87.00768	16.6
87.01303	7.3
88.98698	7.5
89.02300	38.4
96.95898	55.0
97.02824	15.3
99.43531	7.7
101.02316	32.1
109.06488	22.1
113.02310	8.5
119.03384	13.8
121.22192	7.2
123.00750	9.6
125.02358	24.1
135.07974	7.9
151.90640	6.7
163.11186	17.7
169.01329	40.9
171.10266	8.5
179.05531	11.9
183.13823	13.2
199.09840	7.2
207.10170	77.4
209.00917	6.8
209.11760	24.6
211.13335	100.0
212.49670	6.4
225.11292	56.5
227.12839	11.1
235.08052	10.0
258.91562	7.5
299.98907	8.8
300.99857	14.7
379.12531	11.1
397.13501	56.4
415.14651	24.1
516.66791	9.3
609.27356	8.0
623.25415	8.1
773.35626	10.6
791.37238	11.7
799.37079	15.5
817.38428	29.1
818.38879	9.8
835.38361	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	869.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98692	1.5
67.01766	1.0
68.16456	0.8
69.03313	2.9
71.01257	8.3
73.02826	1.8
73.39965	0.7
78.95780	4.0
79.95605	1.7
80.96375	1.0
82.95298	1.0
83.04879	1.7
84.02045	3.5
85.02818	2.9
87.00764	1.4
89.02315	5.0
95.01257	1.9
96.95888	57.2
96.96880	3.4
97.02843	2.5
97.06472	9.7
98.20565	1.8
98.95454	1.8
99.04437	1.3
99.92441	2.0
101.02319	7.5
102.05506	1.7
107.01248	1.6
109.06457	1.4
111.08030	8.6
113.02340	3.4
116.92744	18.1
117.92744	1.3
119.03387	1.8
123.00762	1.6
125.02358	5.2
128.03416	2.0
137.09593	1.2
139.19444	0.7
145.06050	1.5
146.04472	4.4
151.11229	1.2
153.09113	1.1
153.12799	1.5
161.04459	4.3
163.11201	1.4
165.12762	1.0
169.01335	6.8
169.12257	4.5
171.10191	12.8
179.05406	1.2
179.10794	1.1
181.12251	1.5
183.13818	1.6
185.11720	1.1
188.00807	0.8
193.12286	11.0
197.11771	39.9
198.12065	2.3
199.13281	3.3
209.11746	3.1
211.13367	11.0
221.11617	1.2
225.14925	15.5
226.15141	1.2
227.12839	2.8
235.08141	2.7
243.15903	7.2
245.00923	1.0
253.09261	28.5
263.20215	2.2
275.01962	1.9
291.19662	17.3
299.99063	1.6
300.99808	3.9
307.18747	1.0
309.20703	62.1
310.20895	4.6
327.21967	1.2
341.23306	100.0
342.23672	6.5
545.29559	2.2
549.11688	1.2
577.32440	2.2
633.43719	6.4
642.36267	0.9
686.41083	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.5273
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	1.5
67.44734	1.1
69.03302	1.3
69.59232	3.4
69.59658	4.4
71.01254	9.0
73.02801	1.7
75.19723	0.9
78.95769	3.5
79.95568	1.3
83.04890	1.7
84.02039	4.3
85.02821	3.8
87.00726	1.9
88.37125	1.1
89.02332	6.2
96.95891	25.3
96.96830	1.6
97.02831	3.8
97.06483	8.8
98.20488	1.3
98.95473	1.9
99.04399	1.9
101.02328	8.3
102.05485	2.5
107.01277	2.2
109.06449	2.2
111.08033	9.1
113.02314	3.2
116.92741	5.7
119.03342	1.8
119.08585	1.3
123.00778	1.2
125.02366	6.3
125.09629	2.6
128.03432	2.1
137.09578	1.5
143.03358	1.3
145.06087	7.4
146.04492	5.7
155.10753	1.0
161.04480	3.5
165.12709	2.1
166.99815	1.4
169.01321	6.3
169.12228	3.7
171.10196	19.3
181.12263	2.5
183.13759	1.6
186.79120	1.2
191.14139	1.3
193.12282	10.3
197.11763	44.4
198.12061	1.7
199.13342	1.6
209.11789	4.1
211.13358	14.9
212.13684	1.3
221.11716	2.1
225.14926	14.6
226.15295	1.3
227.12877	2.6
235.08115	4.5
243.15878	6.5
247.20634	2.2
247.59827	1.0
253.09254	27.3
254.09726	1.7
263.20157	2.8
270.98923	1.2
273.00525	1.6
277.21863	2.2
289.18109	2.5
291.19666	27.3
292.20010	1.5
300.99829	6.0
307.19150	1.4
309.20706	63.2
310.20950	5.0
323.18622	2.1
325.20221	2.6
327.21814	5.2
341.23312	100.0
342.23810	5.8
397.13474	3.3
545.29669	1.6
558.82916	1.1
577.32092	2.6
633.43390	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	869.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
64.54303	0.3
69.03320	1.7
71.01254	18.1
72.99189	1.0
73.02823	3.3
75.00751	0.7
81.03336	1.1
83.01274	1.6
83.04903	0.5
85.02820	5.2
87.00743	4.4
89.01759	0.8
89.02316	16.5
95.01288	1.4
97.02839	3.0
99.00772	1.3
101.02325	12.8
106.68475	0.3
107.72980	0.3
111.04420	0.7
113.02327	7.9
119.03395	5.1
125.02332	6.5
131.03404	0.9
133.10822	0.3
139.03940	0.6
141.01839	0.3
143.03403	3.3
149.04402	0.7
161.04439	3.8
167.03415	0.4
167.14346	0.7
179.05553	5.3
183.13820	7.0
193.12248	2.2
211.13336	100.0
212.13680	4.7
217.07121	0.8
221.06590	1.3
235.08212	5.4
253.09253	0.8
259.08102	0.5
263.07648	0.7
275.20242	0.5
277.21710	56.8
278.22089	4.1
287.07755	1.8
305.08734	2.5
317.17130	0.4
323.09839	1.5
353.51233	0.4
379.12436	7.3
380.12515	0.5
397.13495	40.8
398.13828	2.6
415.14545	8.3
416.15048	0.9
515.17865	0.4
591.26471	2.2
592.26538	0.4
609.27588	2.6
662.19220	0.4
675.35840	0.8
869.46674	0.6
882.81647	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
66.95454	0.5
69.03325	1.8
70.31223	0.5
70.31558	1.5
71.01256	15.7
72.99187	0.9
73.02817	2.1
77.26140	0.4
81.03328	1.1
83.01254	1.4
83.04899	0.6
85.02822	4.5
87.00759	4.1
89.02314	13.4
91.03889	0.5
95.01254	1.3
96.95895	1.8
97.02825	2.8
99.00740	1.2
101.02325	10.9
111.04353	0.6
113.02328	6.5
115.03851	0.5
118.26818	0.4
119.03396	4.2
120.31124	0.4
125.02345	5.9
143.03381	2.4
161.04457	2.9
167.14322	0.8
179.05536	4.1
183.13826	6.7
193.05116	0.5
193.12309	1.6
199.05988	0.5
211.13342	100.0
212.13736	3.6
217.07094	0.6
221.06596	1.6
235.08231	5.0
259.08148	0.6
277.21722	46.7
278.22058	3.4
287.07712	1.1
305.08804	1.6
323.09836	1.0
379.12408	7.6
380.12982	0.7
384.37054	0.4
397.13501	37.1
398.09152	0.5
398.13669	2.7
415.14584	8.5
416.15036	0.8
438.68903	0.4
529.11066	0.5
563.92450	0.4
591.26605	3.0
609.27313	3.2
610.27234	0.6
730.80334	0.4
818.43286	0.6
869.48590	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99425	0.7
69.03326	1.6
71.00169	0.6
71.00484	0.6
71.01254	19.1
72.99189	1.5
73.02818	2.4
73.14848	0.4
75.00736	0.4
78.71911	0.4
78.95828	0.3
79.95644	0.4
81.03328	0.8
83.01268	2.1
83.04924	0.5
85.02824	4.4
85.83289	0.4
87.00750	4.0
89.02318	15.5
93.03350	0.4
95.01259	1.2
96.95887	4.2
97.02827	2.5
99.00776	1.4
99.04363	0.4
101.02325	12.7
103.00214	0.5
104.95137	0.4
109.02844	0.8
113.02331	7.6
119.03387	4.0
119.86834	0.4
123.00763	0.7
125.02341	7.4
131.03375	0.5
139.03876	0.5
141.01823	0.5
143.03401	2.4
149.04465	0.6
161.04468	3.7
179.05542	4.6
183.13838	6.1
184.14130	0.4
193.12262	2.0
198.80536	0.3
209.11755	0.5
211.13348	100.0
212.13667	5.3
217.07245	0.5
221.06653	1.7
235.08223	5.2
236.08252	0.4
247.13451	0.4
253.09290	0.9
253.14407	0.6
277.21725	49.3
278.22107	3.9
287.07825	2.0
305.08749	1.6
323.09860	0.9
379.12405	7.2
397.13504	34.6
398.13965	2.1
415.14603	8.9
427.57083	0.4
430.18161	0.4
472.16516	0.4
591.26715	2.3
609.27716	2.7
619.46613	0.4
675.36243	0.7
719.68890	0.4
869.45374	0.6
886.52429	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	0.9
67.16677	0.2
71.01251	0.4
71.56482	0.2
75.00741	0.4
78.95774	4.8
79.95612	3.4
80.91547	0.3
85.02824	0.2
93.54176	0.2
94.92378	0.2
96.95894	100.0
96.96786	5.6
97.02819	0.4
116.92735	0.2
125.02335	0.4
163.11240	0.3
166.09317	0.2
169.01360	0.8
171.10207	0.5
207.10234	0.2
209.11798	0.4
211.13232	0.2
225.11288	0.3
253.09325	0.3
291.04074	0.3
291.19690	0.3
300.99890	0.7
309.20953	0.6
310.40747	0.2
395.13171	0.2
473.92078	0.2
499.14923	0.3
517.15912	0.2
574.75970	0.2
709.50964	0.2
734.46637	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
67.62732	0.4
69.03329	1.8
71.01256	19.7
72.99181	1.8
73.02816	2.9
81.03349	1.3
83.01270	2.7
83.04870	0.4
85.02821	4.8
87.00757	5.2
89.02318	16.5
91.03884	0.5
95.01273	1.7
96.95876	1.5
97.02832	3.1
98.20550	1.2
99.00774	0.6
101.02319	13.8
113.02322	7.9
119.03406	5.0
119.57069	0.5
121.02879	0.7
122.53452	0.4
125.02334	7.5
133.04918	0.6
139.03889	0.7
143.03363	3.0
149.72620	0.5
156.13284	0.4
161.04459	4.4
162.33257	0.5
165.12810	0.5
167.03375	1.0
167.10645	0.4
167.14400	0.5
178.83920	0.5
179.05544	4.5
183.13835	6.8
193.12274	1.5
211.13339	100.0
212.13699	4.5
217.07115	0.9
221.06546	1.1
235.08221	6.2
236.08638	0.5
253.09222	1.4
256.70981	0.5
277.21719	61.7
278.22025	3.3
287.07858	2.1
292.66296	0.5
305.08810	2.2
323.09665	1.0
371.08347	0.5
376.98874	0.4
379.12448	8.2
380.12976	0.6
397.13504	41.1
398.13687	3.0
415.14542	7.9
416.14362	0.5
433.43295	0.5
591.26691	2.2
609.27454	1.5
675.35913	1.0
854.17993	0.5
869.47809	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
66.72514	1.3
70.92282	3.9
71.01250	18.0
71.15217	1.5
72.99167	1.5
73.02810	3.2
78.95769	1.5
80.96402	4.2
83.01242	2.4
85.02831	3.8
87.00763	5.5
89.02313	14.3
97.02834	2.2
99.00710	1.4
101.02314	13.0
113.02359	7.6
119.03423	4.0
125.02346	8.3
143.03387	3.4
161.04460	3.9
168.85982	1.4
171.10184	100.0
172.10484	2.8
179.05566	4.8
182.59766	1.7
209.11819	1.6
228.46063	1.4
235.08235	5.7
241.05099	1.4
247.46072	1.4
255.23267	75.1
256.23703	4.3
277.21613	3.3
287.07700	2.3
303.03558	1.4
305.08771	2.4
379.12451	17.7
380.13120	1.9
397.13501	46.0
398.14069	4.1
411.95282	1.5
415.14630	5.3
551.23810	3.1
569.24225	2.4
635.36572	2.5
653.37793	5.2
867.45740	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	865.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01595	1.8
60.47048	1.5
70.86385	3.5
71.01250	2.6
78.95769	1.7
89.02281	1.6
96.99178	10.3
97.02819	3.0
101.02329	1.8
112.26548	1.3
113.06363	1.4
124.86179	1.2
125.02344	1.6
139.00282	1.3
141.01605	100.0
142.01996	1.5
144.39722	1.3
144.77010	1.5
184.80310	1.4
201.11359	1.5
209.11784	28.8
210.12117	2.5
221.10480	1.4
227.12836	4.2
231.10092	2.7
235.08318	1.6
256.23816	1.8
275.06677	1.6
277.21707	14.4
281.08939	1.4
317.13312	1.5
327.65326	1.5
359.22214	1.5
440.86633	1.6
650.29578	1.9
684.14978	1.5
727.28223	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	867.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98669	0.9
63.28843	0.9
65.40370	0.7
71.01253	11.0
71.57770	0.9
71.58147	0.7
72.99174	1.3
75.00748	1.5
75.19828	0.8
80.02550	1.6
81.03320	1.9
83.01244	1.8
83.04882	5.8
84.02059	1.0
85.02834	2.3
86.13609	0.8
87.00755	3.0
88.98730	0.8
89.02312	8.7
95.01279	1.4
96.95885	1.8
97.02843	2.1
97.07223	0.7
99.00768	0.9
101.02312	7.4
107.01265	1.0
109.07107	0.8
111.00784	1.0
113.02341	4.0
119.03397	2.9
123.00755	2.2
125.02355	8.2
125.05962	1.4
126.82700	0.7
129.01875	1.0
129.85909	0.8
135.02937	1.5
143.03412	1.5
155.06981	0.9
161.02290	1.1
161.04475	1.9
163.00275	0.8
163.11206	5.1
165.01807	0.8
165.12802	4.1
168.00528	1.0
169.01318	7.4
171.10223	1.1
174.50145	0.7
179.05559	1.8
181.12296	0.9
181.51994	0.8
183.58926	0.7
183.90421	0.9
191.10745	1.2
195.06589	0.8
197.11769	0.8
209.11765	100.0
210.12126	4.6
211.13327	0.9
225.11240	1.1
227.12854	15.7
235.08104	2.0
259.15442	2.9
275.01907	1.5
287.07587	1.3
299.99094	1.2
300.02667	0.9
300.99854	3.6
305.08951	0.9
379.12384	2.5
397.13446	19.3
415.14557	5.5
455.26443	0.9
518.83038	0.8
607.25830	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
62.05737	1.6
69.03318	3.4
71.01257	24.2
71.57921	3.9
72.99152	2.5
73.02815	3.9
75.00741	3.3
80.02549	2.4
81.03337	5.3
83.01282	4.0
83.04908	8.9
85.02821	8.6
87.00757	7.4
89.02331	19.2
95.64322	1.9
96.95911	2.3
97.02834	9.7
99.00771	2.3
101.02323	17.4
109.06497	26.8
113.02322	10.5
116.65037	1.7
119.03394	5.5
121.02828	3.8
123.00775	3.1
125.02351	13.5
125.09593	3.2
129.01826	3.7
135.08041	5.8
136.05154	2.2
142.02576	2.2
143.03384	2.8
143.81659	1.8
150.02983	1.7
151.00262	3.5
161.04456	3.4
163.11209	19.6
165.12708	2.7
169.01355	7.7
171.10144	2.4
175.02408	2.3
179.05551	4.8
181.12283	5.5
185.11586	1.7
189.09114	3.0
191.04008	2.3
191.05540	14.4
197.11705	4.4
201.11369	2.1
207.10223	78.3
208.10532	4.2
209.11774	100.0
210.12125	4.8
211.13336	6.5
225.11293	39.4
226.11775	2.2
227.12865	16.9
235.08168	5.2
243.12285	2.4
264.43427	1.8
266.66241	2.0
273.00436	1.9
289.40259	1.8
300.99799	5.8
301.03436	4.6
305.08743	2.5
314.31332	1.8
329.73074	2.1
369.07635	2.0
379.12659	3.0
397.13519	27.9
398.13788	2.6
399.21689	4.0
415.14798	11.7
417.22882	5.9
605.24365	6.2
623.25623	7.3
797.35919	16.8
815.37036	13.5
816.36340	2.9
833.38196	35.2
834.38678	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	865.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
64.90282	0.2
65.15463	0.2
70.71741	0.4
70.72080	0.3
71.01260	0.6
77.03838	0.3
80.46597	0.2
83.04900	0.8
85.02830	1.2
87.00767	0.7
87.11478	0.2
88.57939	0.2
89.02319	0.6
93.03342	0.7
101.02306	0.4
113.02369	0.3
114.14020	0.2
119.04922	1.9
121.02850	100.0
122.03179	3.0
123.00710	0.2
125.02349	0.4
127.03909	0.3
128.03311	0.2
147.04424	7.3
163.03920	0.6
163.11244	0.5
165.12773	0.3
169.01349	0.6
170.76729	0.2
171.10258	0.2
173.04362	0.2
191.03453	75.0
191.05504	11.6
192.03754	3.1
192.05518	0.4
207.10298	0.4
209.11777	22.4
210.12143	1.0
227.12852	3.4
235.08356	0.6
253.09241	1.4
300.99890	0.3
391.53000	0.2
445.20880	0.4
515.68347	0.2
667.40552	0.2
715.51312	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01590	0.5
69.03322	1.5
71.01257	16.8
71.06229	1.0
72.99171	1.5
73.02824	2.9
75.00763	0.4
80.02552	0.9
81.03326	1.7
83.01254	2.4
83.04903	4.5
84.02016	0.6
85.02829	3.8
87.00748	5.0
88.70131	0.4
89.02320	15.6
95.01266	1.2
95.04875	0.6
97.02838	3.1
99.00785	0.9
99.04399	0.5
101.02323	11.8
109.06458	0.4
111.04363	0.6
113.02331	7.5
119.03379	3.2
121.02816	0.6
123.00844	0.4
125.02338	6.6
125.05961	0.6
131.03415	0.6
133.04974	0.9
135.08133	0.5
139.03905	0.4
141.01761	1.2
143.03421	2.7
145.04927	0.4
147.11696	0.4
161.04466	2.9
163.11208	4.4
165.12735	2.5
167.03445	0.5
170.27068	0.3
179.05615	2.9
186.22171	0.4
191.10748	1.1
198.62753	0.3
207.10194	0.4
209.11775	100.0
210.12114	6.2
217.07219	0.8
221.06656	1.4
227.12843	12.3
235.08185	6.4
253.09235	1.0
255.23277	55.2
256.23639	4.1
259.08218	0.4
263.07669	0.4
269.24985	0.7
287.07761	1.7
305.08759	1.4
323.09647	1.0
334.93732	0.4
361.11252	0.7
379.12436	6.7
397.13513	37.0
398.13797	2.8
415.14575	9.1
416.14728	0.6
653.37146	1.0
748.71136	0.4
752.22729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01579	0.3
62.17645	0.4
66.51939	0.4
69.03331	1.0
70.30605	0.4
71.01254	18.5
72.99184	0.7
73.02825	3.0
76.32975	0.4
80.02555	1.1
81.03318	1.9
83.01250	1.9
83.04901	4.9
84.02052	0.8
84.22957	0.3
85.02824	4.1
85.96964	0.3
87.00751	3.5
89.02319	14.8
91.03889	0.3
95.01282	1.2
95.04887	1.0
97.02832	3.2
99.00761	0.7
101.02324	11.9
109.02867	0.4
109.06477	0.5
111.00788	0.4
111.04370	0.5
113.02322	8.0
119.03406	3.8
125.02354	6.5
125.05984	0.4
129.29097	0.4
131.03377	0.5
133.05019	0.5
135.08069	0.5
139.03905	0.6
143.03372	2.5
161.04471	3.6
163.11195	4.4
165.12782	2.6
179.05522	3.6
181.12276	0.6
191.10738	1.1
199.06010	0.5
209.11769	100.0
210.12109	5.4
217.07228	0.9
221.06615	1.6
227.12834	11.4
228.13260	0.7
229.65260	0.5
235.08177	6.5
245.06738	0.5
251.12579	0.5
253.09203	0.8
255.23270	54.5
256.23596	3.8
259.08319	0.5
263.07587	0.5
269.24734	0.7
287.07727	1.6
305.08691	2.0
323.09802	1.1
344.80026	0.3
358.23355	0.3
379.12421	6.4
380.13016	0.6
397.13486	37.1
398.13782	2.8
415.14563	8.7
416.14886	0.5
536.70605	0.4
607.25983	0.8
635.36707	0.4
653.37750	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	0.8
71.01254	13.1
72.99179	1.3
73.02814	2.3
75.00742	0.4
78.95792	0.3
80.02531	1.4
81.03336	1.9
83.01267	1.4
83.04896	5.1
83.05370	0.4
84.02047	0.9
85.02820	3.2
87.00757	3.2
88.98637	0.3
89.02319	12.5
89.58378	0.2
91.03933	0.3
93.03350	0.3
94.64104	0.2
95.01270	1.2
95.04894	0.9
97.02823	2.3
98.19762	0.6
99.00770	1.0
99.04458	0.4
101.02322	10.0
101.02992	0.5
109.06499	0.4
111.04398	0.5
113.02331	6.6
116.92675	0.3
119.03394	3.0
123.00753	0.3
125.02344	6.0
125.05956	0.7
131.03435	0.5
132.95821	0.3
133.05013	0.4
135.08089	0.5
139.03911	0.6
143.03415	2.0
149.04471	0.6
152.99557	0.3
161.04449	2.5
163.11183	4.1
165.12764	2.4
167.03462	0.2
179.05542	3.7
181.12267	0.8
183.70331	0.3
191.10750	1.2
199.05992	0.3
199.13382	0.7
207.10147	0.4
209.11772	100.0
210.12132	6.5
217.07156	0.9
221.06657	1.2
223.13242	0.4
225.11346	0.4
227.12843	12.3
228.13092	0.6
233.11700	0.3
235.08195	5.4
236.08379	0.3
245.06653	0.4
251.12808	0.7
253.09250	0.8
255.23271	43.6
256.23621	3.4
256.26126	0.4
257.23996	0.3
259.08139	0.3
263.07788	0.6
269.24860	0.5
287.07669	1.8
299.98752	0.3
300.99869	0.4
305.08795	1.6
318.32306	0.3
323.09818	1.0
361.11472	0.3
379.12436	6.5
380.12750	0.6
385.49475	0.3
397.13489	30.2
398.13895	2.2
415.14526	7.1
416.14972	0.6
607.25952	1.1
653.37299	0.3
863.49969	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98718	0.6
69.03333	1.1
71.01252	15.7
72.99181	2.0
73.02818	1.9
73.44859	0.5
75.00758	1.7
80.02115	0.6
80.02547	2.5
81.03336	1.9
83.01270	2.0
83.04906	3.9
84.02051	0.9
85.02840	3.3
87.00742	3.3
89.02316	13.6
93.03348	0.6
95.01264	1.3
95.04890	0.8
97.02826	2.6
99.00742	0.9
101.02323	10.8
109.06486	0.8
111.04415	0.6
113.02340	7.1
115.31774	0.5
119.03392	3.5
121.02843	0.6
123.00723	0.8
125.02328	7.2
125.05960	0.6
129.01831	2.3
131.03447	0.7
135.02898	1.7
137.02255	0.6
143.03392	2.9
147.11664	0.6
148.53073	0.6
149.02348	1.0
149.04439	0.7
150.03154	0.6
151.03778	0.6
155.98128	0.5
161.04478	2.5
163.11182	2.8
165.12766	1.6
169.01364	3.0
171.10228	0.8
179.05531	4.0
191.05557	0.6
191.10625	0.8
193.15903	1.2
199.13409	0.7
209.11771	82.9
210.12151	4.0
219.13849	1.8
221.06642	1.2
227.12843	12.0
235.08194	4.5
237.14925	100.0
238.15207	5.1
249.15053	0.6
253.09306	0.7
255.16003	17.8
263.07806	0.7
267.88531	0.6
275.16644	0.7
287.07813	1.2
293.13437	0.5
293.17404	0.8
299.99023	0.7
300.99921	2.2
305.08676	1.4
323.09915	0.7
379.12561	2.7
391.09625	0.5
397.13464	28.9
398.13770	2.1
415.14474	9.0
453.03976	0.7
827.40637	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98708	1.9
66.70245	0.3
69.03318	1.3
71.00893	0.7
71.01259	9.8
71.48419	0.5
71.48777	0.7
72.99168	1.1
73.02811	1.4
75.00743	1.0
78.95784	0.6
81.03339	0.6
83.01241	1.1
83.04904	0.4
85.02820	3.2
87.00737	1.9
88.98698	2.6
89.02319	8.5
91.25596	0.4
95.01279	0.9
96.95877	0.7
97.02818	1.5
99.00736	0.4
101.02319	7.2
101.25494	0.4
111.04383	0.5
113.02335	4.0
119.03394	2.1
123.00780	0.4
125.02342	4.3
129.04036	0.3
131.03448	0.4
141.01730	0.4
143.03394	1.5
146.19199	0.4
161.04440	2.1
167.14301	0.5
169.01341	1.4
170.92509	0.4
171.10216	0.8
177.15425	0.4
179.05389	1.9
183.13835	8.1
188.37657	0.5
193.12250	1.9
197.11899	0.4
207.10207	0.9
209.11763	0.8
211.13338	100.0
212.13654	4.0
221.06633	0.8
235.08238	2.6
253.09235	0.6
259.08234	0.5
287.07733	0.8
300.99915	1.0
305.08719	1.0
309.20731	0.6
310.20911	0.5
323.09824	0.9
344.30295	0.4
348.77438	0.4
379.12405	3.9
397.13510	20.3
398.14175	0.9
415.14615	4.2
416.15045	0.6
548.16498	0.4
591.26672	6.7
592.26398	0.6
609.27600	6.8
610.28467	0.8
785.39905	1.7
803.41589	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	1.2
71.01255	17.8
71.56575	0.3
72.01592	0.4
72.99188	2.0
73.02822	2.8
75.00746	0.6
78.95756	0.4
80.02560	0.6
81.03327	2.5
83.01257	2.1
83.04897	4.5
84.02030	0.8
84.42075	0.3
85.02830	4.2
87.00745	4.6
87.01257	0.4
88.98680	1.4
89.02319	14.5
93.03360	0.5
95.01254	1.5
95.04908	0.6
96.95860	0.5
97.02840	3.5
99.00766	1.3
99.04417	0.7
101.02328	12.4
101.03004	0.7
103.00259	0.8
109.02829	0.7
109.06480	0.6
111.04401	0.7
113.02335	7.3
115.03860	0.6
116.92758	2.7
117.92752	0.7
118.92545	0.4
119.03386	4.3
125.02352	6.0
125.05919	0.4
126.02644	0.3
127.03878	0.4
131.03386	0.9
133.04945	0.7
133.36971	0.3
135.08064	0.6
139.00200	0.3
139.03963	0.6
143.03410	2.9
161.04471	3.0
163.11203	4.2
165.12779	2.3
169.01303	1.0
173.85646	0.3
179.05536	3.6
181.12312	0.6
191.10732	0.9
199.05992	0.7
207.10132	1.7
209.11771	100.0
210.12140	4.6
217.07034	0.7
221.06616	1.5
225.11345	1.9
227.12846	11.8
228.13297	0.6
235.08185	5.7
245.06860	0.4
253.09306	0.8
253.21706	56.1
254.22055	4.8
255.23241	2.1
263.07861	0.5
267.23328	0.4
277.21790	0.4
287.04776	0.3
287.07712	1.7
300.99783	0.7
305.08826	2.0
323.09900	0.9
370.28613	0.4
376.99500	0.3
379.12506	6.6
380.12784	0.5
397.13489	41.0
398.13916	2.5
415.14587	10.1
416.15131	0.6
607.25769	0.5
637.81799	0.4
651.35895	1.0
861.48853	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99171	1.7
69.03318	4.0
71.01252	31.6
72.99171	3.1
73.02805	4.7
75.00761	1.6
81.03350	2.0
83.04914	2.5
85.02825	8.4
86.88282	1.4
87.00740	6.6
88.98680	10.3
89.02316	27.2
95.01240	2.7
95.04888	4.2
97.02852	5.2
98.19762	3.9
99.00756	2.3
99.92448	1.5
101.02307	21.7
103.00249	1.9
105.01810	14.3
109.06464	11.1
110.03597	2.4
111.04343	2.1
111.65652	1.5
113.02303	8.1
116.92772	3.1
119.03381	4.8
125.02324	10.3
135.08070	2.5
143.03387	3.0
161.04439	4.6
163.11189	12.2
168.77779	1.6
179.05486	4.1
179.10699	2.6
181.12267	3.3
189.09177	2.5
207.10207	45.4
209.11774	5.1
221.06570	2.7
225.11273	100.0
226.11536	6.9
235.08244	7.9
253.09415	2.3
253.21609	2.5
255.23260	57.6
256.23608	5.0
277.21759	7.1
287.07770	1.9
323.09879	2.7
327.21609	4.5
379.12347	3.9
397.13470	57.0
398.13885	2.9
415.14581	14.9
450.43408	2.0
605.24573	7.0
623.25354	8.6
861.48395	27.2
862.48438	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	861.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
60.51012	0.7
69.03319	2.4
69.61455	5.9
71.01257	29.6
72.99170	1.8
73.02825	4.4
78.63309	0.8
80.02558	1.6
81.03336	4.1
83.01249	3.6
83.04906	3.4
85.02831	6.8
87.00751	6.2
89.02322	22.1
92.22194	0.8
93.03338	1.0
95.01261	2.6
97.02830	12.2
98.20526	1.4
98.22894	0.7
99.00751	3.6
101.02325	18.8
107.04889	0.8
109.02852	0.9
109.06480	31.5
110.03635	2.2
110.06850	1.2
111.00774	0.8
111.04396	0.8
113.02326	11.7
119.03374	5.4
121.06467	1.8
123.04411	1.1
125.02343	8.7
125.09570	1.0
131.03406	1.2
135.08093	4.4
136.05222	2.6
141.01843	1.7
142.02600	3.0
143.03427	2.3
145.63589	0.7
148.64760	0.7
161.04454	3.4
161.09613	2.3
163.11211	19.2
164.11438	0.8
179.05571	4.6
179.10698	1.3
181.12296	3.8
189.09157	2.5
207.10210	100.0
208.10597	4.2
209.11768	1.7
217.07101	0.9
221.06639	2.0
225.11276	31.9
226.11549	1.8
234.86496	0.9
235.08247	5.0
243.12341	2.1
255.23276	75.1
256.23642	5.6
263.07779	0.8
276.61139	0.7
287.07764	2.1
305.08954	1.9
323.09756	1.5
351.55139	0.8
379.12436	8.2
397.13528	54.0
398.13885	3.9
415.14630	13.1
416.14920	0.8
479.14752	0.9
605.24677	4.6
623.25537	3.6
635.36261	0.9
653.37805	2.1
699.42609	1.0
861.48529	51.6
862.48877	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	861.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00205	1.7
69.41766	7.7
69.52380	0.7
87.00736	1.0
95.01237	0.8
107.01260	2.8
108.02077	0.9
109.02821	1.1
121.02859	1.5
125.02334	1.2
137.37341	1.2
147.04433	2.6
148.01570	1.9
151.00293	10.7
159.04445	0.9
163.00296	2.4
165.05469	2.5
169.01312	2.1
178.99741	4.8
179.07066	1.1
180.04211	0.9
205.05087	1.0
226.02583	0.9
227.03552	1.9
243.02910	5.2
245.04527	1.6
254.02252	1.6
255.02983	20.1
256.03400	1.8
271.02475	39.1
272.02917	2.4
299.01840	1.1
300.02740	72.5
300.99899	2.5
301.03452	27.3
302.03665	1.7
321.02240	0.9
343.04745	1.1
347.00027	1.0
409.10715	0.9
485.91336	0.9
491.04709	1.2
522.56030	0.9
609.14594	100.0
610.14886	12.4
657.90057	1.0
750.44196	1.0
780.13190	0.9
814.22339	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99179	17.3
61.98698	0.5
70.00146	1.6
71.01269	0.8
72.99175	0.7
74.89941	0.3
75.00749	0.5
87.00733	0.6
88.00287	1.0
88.98680	100.0
89.02319	2.5
89.99022	0.9
95.46000	0.3
96.95908	0.6
98.19812	0.3
105.01807	0.5
105.95714	0.3
107.01286	0.5
120.55592	0.3
123.00793	0.4
125.02354	1.4
130.80437	0.3
139.68773	0.3
169.01352	2.1
171.10217	0.4
182.81369	0.3
183.41086	0.3
209.11839	0.7
225.11333	0.5
273.00385	0.5
275.01901	0.4
291.19775	0.4
300.99939	1.4
302.00607	0.4
321.56573	0.4
397.13641	0.4
491.79547	0.3
695.97467	0.3
700.61310	0.4
722.47968	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	2.6
69.77571	0.5
71.01256	18.6
72.99172	1.6
73.02824	2.9
81.03312	1.1
83.01255	2.6
83.04928	0.8
85.02818	4.9
87.00751	4.7
87.04391	1.8
89.02319	13.7
91.03933	0.5
95.01257	1.6
97.02813	2.9
98.20570	0.8
99.00771	1.1
100.99287	0.4
101.02324	13.1
113.02335	8.2
119.03399	3.3
125.02330	6.4
128.89983	0.6
131.00784	0.5
131.03398	4.3
131.06989	0.8
139.03877	0.7
141.01863	0.7
143.03427	2.5
151.11238	0.5
153.12750	1.4
161.04504	3.5
169.12254	6.9
179.05516	3.3
179.10715	1.2
197.11769	100.0
198.12057	3.5
199.06027	0.8
209.11736	3.5
217.07164	0.7
221.06659	1.8
235.08206	4.7
239.12895	0.6
253.09239	1.5
263.07874	0.6
277.21725	49.5
278.22046	3.1
287.07715	1.7
305.08820	2.0
306.22357	0.4
317.86234	0.4
323.09592	1.3
379.12482	7.5
397.13501	36.3
398.13803	1.9
415.14612	9.9
416.14371	0.6
488.69839	0.5
577.24994	1.8
595.26135	1.6
675.35748	0.5
680.80060	0.5
715.16315	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98709	2.4
69.03317	4.1
71.01247	9.2
73.02831	1.7
78.95764	3.3
79.95605	1.6
82.95291	9.6
83.02386	1.6
85.02824	8.5
87.00733	2.8
88.98718	1.4
89.02323	5.5
96.95887	34.7
96.96832	1.8
97.02845	3.9
97.06478	1.9
98.95478	2.1
99.00758	1.5
101.02322	8.6
111.08054	9.1
113.02316	3.4
116.66965	1.0
116.92679	1.1
119.03395	2.0
125.02312	2.0
125.09651	2.0
127.11191	1.8
137.09618	3.0
161.04454	4.0
165.12810	2.4
169.01331	4.0
169.12254	4.3
171.10193	27.0
178.26555	1.2
181.12224	1.9
183.13838	3.8
193.12323	1.9
197.11758	46.3
198.12094	2.4
199.13289	2.7
201.11327	1.4
205.11345	1.2
209.11829	5.3
211.13351	19.4
221.11681	2.3
227.12813	3.3
229.14404	11.3
235.08209	9.2
239.12958	1.6
247.20738	1.5
253.09254	33.5
254.09602	1.2
263.20181	1.3
265.17978	1.7
291.19693	26.0
292.20001	2.4
300.99921	1.6
309.20703	87.3
310.21082	7.8
327.21768	100.0
328.21991	5.5
430.29852	1.2
433.20605	1.6
460.57043	1.2
545.29358	4.6
563.30634	4.0
619.42664	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
60.24677	4.5
65.41537	4.4
71.01238	35.9
71.56655	7.7
72.35023	4.7
73.02812	7.3
75.00751	7.2
76.41012	4.3
76.41474	4.3
85.02827	12.4
87.00761	8.7
89.02338	23.0
95.42913	3.9
97.02804	13.4
101.02320	17.8
101.71064	3.9
109.06480	29.9
109.89419	4.5
113.02345	8.6
116.92763	9.2
119.03407	4.4
125.02352	16.1
133.01297	5.8
133.04930	13.8
134.89355	36.4
135.02879	15.5
135.08040	5.7
163.11159	20.3
164.19966	4.6
207.10194	100.0
209.11603	8.7
218.00772	4.9
225.11275	42.5
235.08139	8.9
253.21677	86.6
328.93820	5.2
379.12299	8.6
397.13528	55.8
415.14563	21.0
605.24866	9.0
859.46912	56.2
860.47339	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	855.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98685	3.1
65.21509	1.6
68.37269	1.6
71.01261	15.0
78.13260	1.8
81.03353	2.6
82.14975	1.5
83.01249	3.6
83.04910	4.9
84.31087	1.7
85.02831	3.5
87.00775	4.1
89.02324	15.2
96.95891	2.8
98.19763	3.7
101.02329	13.2
101.94547	1.6
109.58970	1.9
113.02329	7.8
116.92786	3.9
119.03429	4.8
121.02809	1.9
122.78020	2.2
125.02374	9.1
161.04427	3.6
163.11273	3.4
165.12758	2.6
169.01311	7.1
171.10144	4.2
179.04099	1.6
179.05505	8.3
183.13841	2.9
207.10335	1.9
209.11775	97.7
210.12125	5.8
211.13341	100.0
212.13722	5.4
227.12840	29.9
228.13191	1.7
235.08171	4.5
275.01886	2.2
300.99924	3.7
379.12466	9.3
397.13489	64.9
398.13818	3.2
415.14642	11.9
589.24963	5.3
591.26855	8.8
607.26117	4.7
609.27954	17.1
801.39819	4.6
855.37842	21.3
856.38226	6.9
864.03918	1.9
888.88525	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	855.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01223	9.1
71.01555	5.5
89.02314	10.3
101.02331	3.6
117.76715	2.9
122.05997	8.4
124.74956	2.8
125.02348	8.0
134.06007	14.7
136.07561	3.4
140.07092	18.1
149.04720	5.6
152.07094	4.7
160.03979	4.4
161.04736	8.5
162.05502	13.7
164.07124	3.7
169.01323	6.6
171.22783	3.7
172.03946	3.7
174.05533	4.5
176.92850	3.1
178.99908	4.7
187.32851	3.3
201.10298	3.1
204.06613	12.9
208.91293	3.7
212.05847	19.8
212.09366	4.3
225.06670	4.7
225.10280	3.8
227.11624	3.5
229.09816	5.1
237.10310	14.7
239.08182	19.1
240.08875	5.4
241.09773	3.1
244.14677	3.1
252.10294	3.5
252.12679	10.1
253.06224	16.5
253.09793	18.6
254.10403	5.3
255.11386	15.1
257.09232	4.8
261.12338	5.5
266.06992	6.1
267.07837	21.0
267.11261	12.9
268.08447	17.1
268.12146	10.7
278.61707	3.3
279.07773	7.3
280.08508	21.2
281.09317	42.4
283.10867	7.5
285.08810	6.5
285.12460	7.5
295.10843	49.8
296.11627	39.7
297.12381	18.9
299.10291	13.8
300.99774	10.4
303.13483	32.9
304.13950	3.9
309.78616	3.1
313.11819	7.7
321.08469	4.5
327.13614	17.0
339.09705	9.6
340.10486	5.8
341.11353	6.8
371.12396	8.9
373.14203	7.4
390.14594	10.1
404.16016	4.0
406.13730	4.8
420.15417	4.3
434.13489	4.4
438.16449	5.1
466.15927	3.9
479.16702	4.9
480.17493	5.3
511.19629	14.1
512.20782	4.3
601.23370	6.8
633.25494	57.3
634.26013	9.9
675.26807	5.5
805.29333	12.8
823.30542	6.3
837.16034	6.2
837.31897	100.0
838.32349	22.5
855.33057	69.0
856.33344	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	855.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01247	5.3
71.28688	3.6
85.61444	2.0
87.00751	3.2
89.02316	2.7
101.02321	2.2
108.04456	2.4
111.88774	2.0
113.02328	2.2
119.03423	2.4
122.05997	7.9
134.06023	15.3
140.07062	11.3
146.06064	2.9
149.04739	4.5
150.05528	2.9
152.07069	3.4
160.03955	2.2
161.04713	8.0
162.05547	12.5
164.07072	7.6
167.05791	1.9
169.01332	4.5
172.03978	2.4
174.05440	2.4
176.07207	2.2
190.04996	3.1
204.06636	12.7
211.08717	2.6
212.05847	14.8
212.09416	3.4
225.06741	3.3
225.10146	2.1
226.07362	3.8
227.11874	2.9
228.12677	2.0
229.09819	2.7
237.10234	12.6
238.07492	3.0
239.08208	18.4
239.11853	2.5
240.08865	5.1
241.09755	3.3
251.08098	2.4
251.11839	4.3
252.08763	4.1
252.10562	2.7
252.12607	11.1
253.06093	13.7
253.09807	22.2
253.12502	2.7
254.10329	2.2
255.11516	12.6
257.09271	6.6
261.12360	3.1
265.06125	7.3
265.09976	3.8
266.06946	8.5
267.07718	27.2
267.11349	14.1
268.08655	14.9
268.12097	15.5
269.09158	2.5
271.10913	3.2
279.07724	8.0
280.08557	20.3
281.09290	44.4
282.09821	5.2
283.07538	3.2
283.10825	14.1
285.08804	13.1
285.12405	10.8
290.08994	2.0
295.10883	69.8
296.11606	44.8
297.12335	17.9
298.09503	2.7
299.10379	14.2
300.11005	6.1
300.99854	22.5
301.11841	5.7
303.13501	23.9
311.10236	4.4
313.11966	8.5
323.10556	2.7
327.13574	20.3
328.14209	3.2
339.09671	15.1
340.10538	6.5
341.11203	6.0
351.12137	3.8
371.12518	8.5
372.13126	3.7
373.14096	8.1
390.14508	11.1
404.16098	5.2
406.14053	4.9
407.14740	3.3
420.15668	7.7
424.15009	2.3
434.13596	7.0
435.17773	4.4
436.18860	4.0
438.16528	6.8
448.15088	3.5
465.18573	2.5
466.16254	8.8
479.17181	4.1
480.17627	4.8
511.19415	15.7
512.20380	5.4
601.23297	4.0
633.15765	4.2
633.25592	49.4
634.25909	4.6
675.26587	3.0
805.29102	12.1
823.30743	7.4
837.32007	100.0
838.32495	18.0
855.33093	71.0
856.33038	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	855.199
Annotation	Unknow
Peak:m/z	Relative Intensity
61.68026	0.7
65.00225	0.8
65.86511	0.7
69.38396	1.9
69.38813	5.8
71.01255	3.9
72.53626	0.8
73.02827	1.2
83.01257	1.8
85.02840	1.2
87.00790	1.6
89.02315	2.6
95.01296	1.1
98.05266	0.7
99.49946	0.7
101.02331	2.8
107.01291	4.4
108.02033	0.9
109.02822	1.2
111.00771	1.3
111.29431	0.8
113.02295	1.4
121.02855	1.8
123.00764	8.2
125.02340	9.5
130.10310	0.9
130.63370	0.8
136.98729	1.2
139.00278	2.4
140.01042	2.4
141.01808	1.2
151.00279	15.7
161.02383	1.4
163.00270	2.3
168.00546	3.0
169.01343	12.9
175.54010	0.9
178.15154	0.8
178.99785	4.6
196.40186	0.8
205.84518	0.7
227.03397	1.0
229.01370	1.0
243.02956	5.9
254.02254	1.0
255.02988	14.7
256.03140	0.8
271.02481	31.8
272.02829	1.9
273.00433	1.2
273.03827	1.0
292.57059	0.8
295.10846	1.8
296.11633	0.9
299.01599	0.9
300.02756	62.5
300.99908	8.6
301.03442	50.6
302.03900	2.3
313.05695	1.2
421.11411	73.8
422.11725	6.6
433.07758	100.0
434.08182	8.1
520.32581	0.8
572.02783	0.9
633.25543	1.1
837.32477	1.5
855.32849	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	853.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	4.1
71.01260	17.2
71.55975	5.1
78.95791	3.8
81.03340	3.5
83.01243	5.7
84.02045	4.9
85.02844	3.3
85.42950	2.9
87.00721	3.8
89.02323	8.3
95.01227	2.9
96.49968	2.6
96.95876	11.3
97.02785	7.0
97.06478	11.1
101.02333	10.1
111.08054	16.2
113.02331	4.0
119.03384	3.6
123.08021	3.8
125.02356	3.9
125.09620	11.0
137.09598	2.7
161.04456	6.4
163.11201	6.8
165.12904	3.3
166.30994	2.7
167.10640	4.4
169.12317	5.4
171.10139	23.2
181.12331	3.0
185.11728	10.8
191.14368	11.3
193.12306	7.9
193.56273	2.8
195.13846	6.1
197.09959	5.5
197.11766	100.0
198.12083	3.5
199.13293	4.9
207.10176	4.4
209.11754	23.7
211.13301	18.8
223.13458	3.3
225.14996	5.5
227.12839	8.4
235.08205	5.5
243.15889	3.8
245.19011	14.4
253.09273	48.7
263.20135	7.0
275.20093	3.5
289.18079	56.6
289.21106	5.1
290.18478	4.4
291.19666	39.9
292.20163	2.9
293.21231	81.0
294.21478	6.0
300.99863	3.8
307.19104	34.4
309.20715	58.7
310.20978	4.5
341.23325	77.6
342.23456	3.1
450.51880	3.2
468.40555	3.2
617.43982	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	853.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.61275	1.5
69.03330	3.5
71.01260	13.4
71.20648	2.9
73.02834	1.7
76.10442	1.5
78.95799	3.2
81.03338	3.1
83.01287	4.1
83.04883	2.8
85.02832	3.0
87.00736	3.0
89.02310	10.1
91.65159	1.8
95.01250	2.9
96.95880	14.5
97.02826	4.3
97.06474	7.9
101.02333	9.9
111.08056	18.7
113.02318	5.7
116.92771	2.4
123.04383	3.5
123.08047	2.6
125.02325	3.9
125.09647	11.2
127.07519	2.8
137.09589	2.2
145.04970	1.9
153.12656	1.7
158.65306	1.7
161.04521	4.9
163.11208	6.8
165.12770	3.2
167.10703	2.6
169.01357	2.6
169.12263	7.4
171.10211	7.1
177.12680	2.1
179.05515	1.9
179.10684	2.9
181.12289	3.6
183.13870	1.8
185.11761	10.7
191.10635	1.7
191.14343	12.0
197.11771	100.0
198.12054	4.3
199.13351	6.1
207.10226	3.7
209.11772	27.0
211.13361	15.5
225.11156	3.8
227.12796	10.4
235.08208	3.6
237.11360	4.1
241.21138	1.8
245.19067	16.4
253.09227	29.0
254.09430	2.2
263.20142	12.0
265.18140	2.7
271.17090	3.2
289.18121	57.2
290.18381	4.8
291.19690	30.7
292.19955	4.1
293.21246	12.6
294.55978	1.6
300.99811	2.4
307.19147	43.5
308.19507	2.7
309.20715	69.8
310.21075	5.0
313.80594	1.6
341.23389	7.0
382.71255	1.8
404.98224	2.4
445.21179	2.2
497.06323	1.8
648.23981	2.1
836.67242	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	853.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
60.14666	1.7
61.98692	4.2
69.03333	2.8
70.15177	5.5
71.01257	32.2
72.99190	4.6
73.02805	4.5
75.00748	2.9
78.95789	2.0
79.95625	7.6
80.89484	1.5
80.96387	5.9
83.01251	2.7
83.04899	6.0
84.02057	1.9
85.02841	6.1
87.00745	6.6
88.71727	1.6
89.02333	15.2
95.01246	2.9
95.04913	2.5
96.95899	16.5
97.02811	4.3
97.06489	3.8
99.00756	1.8
101.02321	14.0
107.01255	4.9
109.06499	2.4
111.00816	2.6
113.02324	8.1
119.03388	4.3
123.00801	7.2
125.02329	21.8
125.09613	1.6
137.02350	2.1
141.01749	1.8
143.03377	2.0
143.75777	1.4
145.04942	1.5
145.11415	1.7
147.02902	4.8
151.11189	10.5
151.55240	1.6
161.04439	2.3
163.11226	4.9
163.38686	1.8
164.11519	1.8
165.12784	1.6
166.99869	4.3
168.00511	2.4
169.01332	30.7
169.12263	66.7
170.01688	1.7
170.12642	2.4
171.10199	5.1
179.05591	2.8
187.00273	1.6
197.11823	2.2
201.11322	1.9
207.10167	2.9
209.09897	2.9
209.11794	56.2
210.12015	1.9
211.13371	13.6
213.11351	10.3
217.01335	1.9
221.06630	2.6
225.11246	4.2
227.12801	4.0
235.08171	2.3
273.00577	2.2
275.01984	1.9
299.99020	6.6
300.99869	12.5
301.99915	2.0
397.13385	6.4
448.01489	2.5
611.25684	3.4
733.72864	1.6
750.03534	1.5
821.38123	100.0
822.38416	13.0
853.39679	23.1
854.39789	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	853.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
63.71383	0.7
69.03336	1.3
71.01252	11.1
71.57965	0.8
71.58385	0.8
72.99184	1.3
73.02802	2.1
73.43237	0.6
75.00742	0.7
80.02547	1.4
81.03331	1.5
83.01271	1.8
83.04896	6.0
84.02055	1.0
85.02821	2.8
87.00755	3.3
88.09033	0.6
89.02319	8.6
91.13933	0.6
95.01263	1.6
95.04907	1.3
96.95895	4.9
97.02792	1.2
101.02315	7.6
107.01266	1.8
111.00774	0.7
113.02324	5.4
119.03436	2.9
123.00765	1.7
125.02328	10.3
125.05998	0.9
125.09653	1.0
126.02662	0.7
127.11160	1.8
131.03394	0.9
135.08023	0.8
140.01022	1.0
143.03378	1.4
151.00237	1.0
161.02408	0.9
161.04471	2.5
163.00282	1.1
163.03850	0.9
163.11221	4.2
165.01727	0.8
165.05370	1.0
165.09093	1.0
165.12767	2.1
166.02643	0.8
166.99774	1.5
168.00508	1.1
169.01352	9.6
171.10121	1.3
177.01750	0.9
179.05510	2.5
181.04965	1.7
189.01828	0.7
191.03279	0.9
201.11253	40.1
202.11615	2.3
209.11771	100.0
210.12097	6.5
221.06592	1.2
223.13571	0.6
227.12840	15.6
228.13223	0.9
235.08159	2.5
245.00952	0.8
247.02435	0.8
273.00394	1.2
275.02005	1.3
287.07648	1.4
298.98395	1.1
299.99060	1.5
300.99991	6.8
301.03195	1.3
302.00381	1.6
305.08801	1.1
312.67236	0.7
312.99820	0.8
379.12448	2.8
393.22568	0.8
397.13474	25.3
398.13953	1.9
415.14493	7.5
581.24658	1.1
599.25183	1.1
607.26117	1.7
735.88251	0.8
800.37244	0.7
853.39227	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98708	1.2
71.01257	1.3
71.56037	0.3
75.00777	0.2
78.95780	4.9
79.95614	3.2
80.96402	0.4
83.04904	0.4
92.64977	0.2
94.97956	0.3
95.68864	0.2
96.95894	100.0
96.96785	5.5
97.95833	0.4
98.95524	0.2
101.02304	0.4
107.01294	0.4
119.47168	0.2
119.54459	0.2
123.00758	0.3
125.02353	1.2
143.45088	0.2
146.96104	0.2
151.00223	0.2
166.99773	0.4
169.01350	1.8
170.99635	0.3
171.10153	0.5
172.10559	0.2
177.26160	0.2
197.11760	1.2
209.11760	3.5
210.12144	0.5
211.13278	0.3
225.11159	0.2
227.12798	0.5
235.08319	0.4
253.09276	0.3
264.89410	0.2
265.07526	1.6
275.02014	0.4
291.03973	0.8
291.19586	0.4
300.99911	1.6
307.08716	0.4
309.10080	0.2
309.20728	1.1
351.06198	0.6
407.18015	0.2
459.21201	0.3
465.06250	0.2
466.02853	0.4
483.15729	1.0
557.28241	0.3
853.41101	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	1.1
62.80825	0.1
70.91866	0.2
70.92213	0.3
71.01261	0.7
78.81718	0.2
78.95778	5.8
79.95602	3.6
80.96386	0.5
82.95937	0.1
84.14182	0.2
94.97966	0.3
95.01289	0.2
96.95892	100.0
96.96783	5.9
97.02838	0.2
97.77422	0.2
97.95809	0.3
102.14566	0.2
107.01270	0.5
118.96529	0.2
122.50341	0.2
123.00732	0.3
125.02337	1.1
152.99515	0.2
154.58327	0.2
163.11185	0.2
166.99742	0.3
169.01381	1.6
171.10130	0.4
173.02321	0.2
178.06749	0.2
197.11839	0.5
203.03493	0.2
209.11780	1.4
210.12206	0.2
227.12700	0.2
253.09341	0.3
265.07581	1.0
273.00598	0.2
291.04001	0.7
300.99875	1.1
307.08765	0.3
309.10202	0.3
309.20703	0.5
351.06140	0.2
361.84509	0.2
452.03268	0.5
466.02548	0.2
483.15799	0.5
485.17130	0.2
831.66742	0.2
853.42773	0.5
868.98706	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	12.7
61.98703	100.0
69.03334	3.0
70.68835	3.5
70.69165	5.3
71.01254	21.1
72.99194	4.1
73.02800	3.3
75.00735	2.8
79.95631	4.4
80.96387	11.9
83.04897	5.2
83.28455	2.3
85.02823	3.9
87.00780	6.6
89.02295	12.4
91.83737	2.5
95.01261	6.2
96.95927	7.3
97.02845	5.5
99.00777	3.3
101.02309	12.7
107.01270	12.6
112.16955	2.3
113.02366	7.2
115.49104	2.2
119.03441	3.7
121.02876	2.9
123.00771	12.4
125.02335	33.3
137.02217	3.2
163.11205	3.7
165.01802	2.8
166.99759	11.8
169.01331	47.0
170.01707	3.5
177.01797	3.0
180.91562	2.3
183.13786	5.5
185.02469	3.0
189.01820	3.3
199.13239	3.0
200.99875	3.1
201.11313	3.0
209.11778	76.1
210.12119	5.6
211.13324	79.3
212.13707	4.1
225.00674	3.0
227.12730	16.0
229.01295	3.9
235.08238	3.8
245.00916	5.1
253.21127	2.4
257.01007	2.8
270.98758	5.0
273.00595	4.1
274.00992	2.9
275.01910	5.8
285.04080	3.0
287.07474	3.2
298.98410	3.3
299.99051	4.8
300.99911	25.1
305.08548	2.8
379.12531	7.8
397.13541	34.6
415.14557	9.3
452.03024	4.7
457.02084	3.4
553.71436	2.9
609.27710	4.8
631.90601	2.9
819.40039	4.1
843.02399	2.9
851.40601	16.0
852.40674	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	851.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00957	1.2
59.01254	19.9
69.03320	2.4
70.67653	2.2
71.01257	67.8
72.99162	1.9
73.02815	7.2
75.00727	0.9
80.02542	2.0
81.03327	2.6
83.01261	2.2
83.04893	6.5
84.02031	1.1
85.02818	6.2
87.00758	6.7
89.02322	14.4
93.03317	1.2
95.01254	1.8
95.04906	2.5
96.95914	1.0
97.02853	4.0
99.00772	2.9
100.78133	0.7
101.02326	14.2
107.01272	0.9
107.04879	1.1
109.06490	5.0
111.00777	1.4
113.02325	8.9
119.03403	4.3
123.00803	1.5
125.02327	9.4
125.05937	1.4
125.09627	2.7
127.11195	3.3
131.03365	1.0
135.08055	1.7
139.03960	0.9
139.07518	1.6
141.01773	0.9
143.03406	2.5
149.09630	0.9
151.11220	1.1
155.10652	1.3
161.04460	3.0
163.11223	9.4
165.09129	1.3
165.12778	2.4
166.99786	0.9
169.01373	4.9
171.10181	33.6
172.10602	0.8
179.05527	5.1
181.12251	3.7
183.10239	0.7
185.11768	3.0
187.09694	0.8
189.09131	1.4
191.10680	1.2
197.11777	2.1
199.13364	1.4
201.11255	22.8
207.10214	13.8
209.11774	100.0
210.12086	4.9
211.13361	1.0
215.12796	2.6
221.06641	1.5
225.11284	31.4
226.11601	2.7
227.12851	12.5
228.13213	0.9
235.08186	5.0
243.12370	3.0
251.12900	2.2
253.09128	1.0
287.07635	1.3
299.99072	1.5
300.99860	2.6
323.09476	1.0
379.12341	3.6
397.13492	27.7
398.14114	1.6
415.14618	9.1
439.14261	1.9
457.15607	0.9
569.24628	1.1
605.24823	1.1
623.25427	4.3
815.36853	3.8
816.36810	0.9
833.38123	2.9
851.38800	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	851.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	12.1
61.98705	100.0
62.86390	0.9
69.03311	1.5
71.01255	33.5
71.56675	1.1
72.99184	1.9
73.02824	3.1
78.91763	1.4
78.95782	3.8
79.95612	5.5
80.96389	4.1
83.01266	1.1
83.04896	3.7
85.02827	3.1
87.00742	2.5
87.29210	1.0
89.02322	9.0
94.97943	1.3
95.01302	2.0
95.04899	1.3
96.95895	36.8
96.96869	2.4
97.02843	2.8
99.00774	1.5
101.02306	6.5
107.01311	1.6
109.06480	2.9
113.02328	4.3
119.03389	2.7
123.00768	2.1
123.72160	1.1
125.02339	9.5
125.09588	2.0
126.13221	1.0
127.11172	1.6
137.09714	1.0
141.01715	1.0
143.03384	1.6
161.04436	1.7
163.11218	3.8
165.12697	1.2
166.99788	1.7
169.01353	9.1
171.10173	16.6
179.05466	3.1
179.10606	1.1
181.12231	1.3
199.09721	1.2
201.11293	11.7
201.13037	1.8
207.10249	9.2
209.11768	50.7
210.12180	3.5
215.12784	2.0
225.11302	15.2
227.12810	6.4
235.08203	3.2
243.12477	2.0
245.00983	1.5
246.05743	1.1
253.09248	1.3
279.97516	1.0
287.16321	1.7
300.99973	4.6
311.61478	1.0
327.22061	1.4
379.12595	2.9
397.13510	13.1
415.14517	3.6
623.25568	1.3
637.11493	1.2
681.27820	1.6
815.37262	1.3
833.38641	2.1
851.39966	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	851.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.4
61.98705	8.3
65.29263	0.3
70.58940	1.0
71.01241	0.9
78.95770	3.8
79.95615	3.0
80.96383	0.8
82.48613	0.3
95.01253	0.3
96.95889	100.0
96.96776	4.8
97.02824	0.5
101.02331	0.5
121.02856	1.9
123.00771	1.0
125.02304	1.6
169.01338	1.6
171.10214	0.6
195.63211	0.3
197.11713	0.5
207.10164	0.5
209.04491	1.2
209.11809	1.5
217.01328	0.4
225.11375	0.3
247.02557	0.4
265.07544	0.5
266.96600	0.4
275.01831	0.5
287.16507	0.5
291.19962	0.4
299.99118	0.5
300.99933	1.9
305.17303	0.5
309.20801	1.1
412.79721	0.4
499.15161	0.6
851.39734	0.7
875.13135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	16.4
62.06201	1.1
63.03051	1.1
69.03333	2.4
71.01251	15.4
72.99189	3.1
73.02816	2.4
74.75175	1.1
79.59386	1.4
83.01278	1.3
85.02827	4.9
87.00749	3.1
88.87491	1.1
89.02313	10.8
89.99763	1.2
92.82448	1.5
97.02820	2.3
97.06466	3.8
101.02328	10.2
109.66123	1.2
113.02319	4.5
119.03374	2.9
125.02337	1.8
151.11176	12.5
164.22339	1.5
169.12254	44.7
194.43617	1.2
213.11298	5.9
219.45140	1.2
221.06561	2.0
255.23259	50.3
256.23636	3.6
309.79639	1.3
397.13492	5.2
484.01038	1.4
535.09949	1.4
593.24078	1.7
611.25415	2.0
849.48566	100.0
850.48871	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	849.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	18.9
64.88745	0.9
69.03326	6.6
71.01255	19.2
71.04897	1.9
71.58106	1.9
72.99171	2.2
73.02790	2.2
75.00739	3.7
80.02535	1.2
81.03326	2.9
83.01234	2.2
83.04919	7.6
85.02824	5.9
87.00761	3.2
88.98707	1.0
89.02302	9.6
93.03328	1.0
95.01252	2.8
95.35283	0.9
96.95876	1.7
97.02825	2.1
99.00729	2.1
101.02330	10.5
107.01249	1.1
110.18622	0.9
111.00773	1.5
111.04381	1.9
113.02363	4.7
115.00257	3.6
119.03368	1.8
121.02916	0.9
123.00782	1.5
123.04337	1.0
123.08014	1.3
125.02336	7.3
125.09644	2.4
129.23911	0.9
135.04477	1.3
147.04410	1.0
150.03107	1.0
151.11160	1.9
153.12729	1.2
161.02319	1.2
161.04448	1.2
161.09662	4.5
163.00243	1.1
163.11188	5.6
165.05478	1.1
165.12798	1.8
168.46690	0.9
169.01363	7.4
171.10199	3.7
175.02394	6.4
179.05574	1.1
179.10693	7.6
181.12245	1.2
181.75151	0.8
185.86337	1.0
191.10663	0.8
195.06473	1.8
197.11777	41.9
198.12129	1.9
207.10236	1.4
209.11769	77.0
209.74762	0.9
210.12117	3.7
211.13425	0.9
221.06677	2.0
221.11740	1.4
223.09679	2.1
227.12808	6.0
239.12796	0.9
241.10707	4.6
299.98468	1.4
300.99783	4.3
301.03259	1.8
313.38507	0.9
368.12360	0.9
397.13528	3.9
415.14899	1.5
639.25452	1.1
731.35168	3.7
771.33600	1.3
849.37659	100.0
850.38086	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	849.376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	20.6
61.98713	2.5
67.56030	0.9
68.99691	1.5
69.03323	2.5
71.01256	27.4
71.05394	1.0
71.05807	2.7
72.99182	4.4
73.02830	3.6
76.94699	1.0
78.90192	1.0
80.02560	1.4
81.03348	2.7
83.01270	2.7
83.04891	7.3
84.02043	1.1
85.02827	7.7
87.00758	5.4
89.02313	15.9
89.86581	1.1
91.39677	1.0
93.03316	1.2
95.01262	2.2
95.04897	1.9
96.95891	1.5
97.02859	5.3
97.06462	1.2
99.00761	3.3
101.02321	10.9
103.02008	1.0
104.71585	1.1
109.06501	1.9
110.03612	2.3
111.00755	1.9
111.04395	8.5
111.08050	1.2
112.70937	1.1
113.02343	8.0
119.03384	4.6
123.00777	1.0
123.04427	2.3
123.08058	2.3
125.02333	7.5
125.05999	1.9
125.09635	3.3
127.11162	1.4
129.01802	1.0
130.37363	1.1
135.08086	2.0
143.03455	2.2
151.11197	3.1
153.09114	1.4
161.04498	2.5
161.09618	4.8
163.11198	5.3
165.12778	2.7
169.01372	2.9
171.10182	28.9
175.02415	1.4
177.09116	1.7
179.05569	4.4
179.10674	6.9
181.12276	2.4
185.11832	1.5
187.09717	1.6
189.05399	1.0
195.10167	1.4
197.11772	4.4
201.11261	3.2
205.08626	6.2
207.10233	3.6
209.11772	100.0
210.12148	7.6
211.13370	2.5
213.11282	2.9
221.06583	2.6
221.11748	2.6
222.07121	1.2
223.09717	33.9
223.13138	1.7
225.11273	5.5
227.12836	16.2
228.13159	1.5
235.08284	3.1
239.12947	2.0
241.10770	3.3
241.14381	1.5
251.91805	1.0
253.09442	1.3
300.99872	1.7
305.08539	1.5
323.09549	1.5
379.12473	4.1
390.60291	1.1
397.13507	31.5
398.13870	2.8
410.82181	1.1
415.14627	8.4
415.19669	1.5
551.23615	1.2
603.22894	1.9
607.26367	1.6
621.24219	4.4
639.25574	1.3
789.85144	1.1
795.34314	1.4
813.34863	5.6
814.36487	1.5
817.39893	1.5
831.36554	9.0
849.37622	9.6
850.37714	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	849.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.47202	0.3
71.01213	0.5
71.38365	0.7
78.13568	0.3
82.85957	0.3
83.01266	0.3
83.85261	0.3
94.31531	0.3
96.95844	0.8
97.10391	0.3
101.02303	0.4
105.79682	0.3
106.12022	0.3
111.36884	0.3
113.02292	0.3
117.21069	0.3
125.02294	1.0
145.99927	0.4
158.00075	0.5
169.01323	1.4
185.99489	0.8
191.00694	0.3
197.99471	0.4
199.70616	0.3
241.98396	0.4
254.99292	1.2
257.00903	1.3
269.00705	0.3
269.98035	11.9
270.98392	1.1
285.00421	9.0
286.00861	0.7
297.00311	0.4
297.97543	35.2
298.97891	2.4
299.01270	0.5
300.99789	1.0
312.99896	64.7
314.00284	4.1
328.02237	65.1
329.02612	5.5
343.04581	100.0
344.04916	8.1
377.35202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96099	1.9
71.01257	8.9
72.01717	1.5
73.02814	2.9
78.98474	7.8
79.95605	20.7
80.96393	98.5
81.95094	1.6
85.02835	4.7
87.00752	5.2
94.97964	22.2
96.95852	2.1
97.02817	2.7
98.19795	4.6
101.02298	2.1
106.97939	3.1
122.97469	3.7
125.02346	4.2
134.97461	6.5
148.99068	8.1
152.98572	8.3
164.98546	12.8
206.99670	3.2
225.00681	18.5
264.90884	1.8
410.67593	1.9
465.28366	1.7
526.97412	1.7
847.48700	100.0
848.48944	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.5
59.88652	1.1
59.90879	1.3
62.47626	1.0
63.59085	1.0
71.01263	3.7
71.57597	1.8
74.55644	1.0
90.80637	1.1
95.01280	1.4
101.02323	1.6
107.01271	3.7
109.02842	1.6
111.00775	2.7
113.02276	1.4
121.02836	1.8
123.00782	7.3
124.01622	1.5
125.02355	6.6
139.00224	1.6
140.01089	1.7
148.47023	1.1
151.00278	13.8
163.00267	2.9
169.01331	9.9
169.89926	1.2
174.25150	1.2
178.98232	1.0
178.99782	4.7
179.46658	1.1
185.02460	1.3
227.03430	1.7
237.89711	1.3
243.03006	4.7
244.03505	1.4
255.02963	14.5
271.02472	30.5
272.02872	2.6
283.02264	1.7
300.02747	64.6
300.99933	4.1
301.03494	55.1
302.03915	4.9
413.14523	55.9
413.20078	2.3
414.15042	6.5
433.07739	100.0
434.08234	10.0
769.86285	1.2
815.59570	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	845.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69118	0.2
59.01257	0.3
60.99186	0.5
61.98703	100.0
62.98394	0.2
65.00677	0.2
69.28400	1.8
71.01285	0.2
75.00766	0.5
77.72073	0.2
78.95781	0.2
88.98676	2.4
89.02309	0.3
98.20598	0.2
107.01273	0.4
122.31990	0.2
123.00816	0.3
125.02338	1.5
125.09623	0.5
129.10217	0.4
140.07050	0.2
166.99799	0.2
169.01340	1.9
187.09679	0.3
207.15012	0.4
211.13470	0.2
224.17653	0.3
242.18684	0.3
245.00909	0.2
275.02054	0.2
295.21436	0.2
298.55066	0.2
300.99783	1.0
322.95175	0.2
337.26151	0.3
782.37701	0.3
782.51929	4.7
783.52191	0.8
845.45929	0.4
846.46338	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	18.5
60.56057	1.6
60.99191	1.9
61.98702	2.4
69.03323	3.4
70.62716	5.8
71.01259	17.1
72.99168	1.9
73.02831	2.1
78.95779	2.0
78.97032	1.5
81.33401	1.6
83.01254	3.7
85.02845	4.1
87.00777	4.8
88.98678	7.6
89.02325	14.0
95.01276	3.0
95.04919	1.5
97.02843	4.1
97.06466	15.9
101.02319	12.6
107.01273	3.3
113.02340	4.9
116.92729	2.2
119.03400	2.0
123.00771	3.2
123.08046	8.3
125.02353	11.4
125.09618	81.6
161.04520	2.6
167.89374	1.7
169.01389	12.6
187.09694	41.3
209.11809	1.9
214.25568	1.9
219.02780	1.9
277.21741	30.5
278.22241	2.6
300.99893	6.6
397.13736	5.9
415.14200	2.0
452.02948	2.3
482.33536	2.1
567.22900	2.0
585.24353	4.5
845.45410	100.0
846.45374	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	845.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	6.9
60.99178	1.1
61.98704	100.0
67.35136	0.7
67.89504	0.6
69.03313	0.8
70.43772	2.5
71.01253	7.8
71.01615	1.0
72.99199	0.9
73.02823	1.2
75.00750	2.2
75.87448	0.6
78.95786	0.9
80.96381	0.7
85.02830	1.6
85.72058	0.6
87.00748	1.8
88.98677	6.2
89.02329	5.0
95.04885	0.8
96.95882	0.7
97.02834	1.4
97.06469	7.4
99.00809	0.7
101.02332	5.5
107.01249	2.0
113.02334	2.1
116.92744	0.9
119.03441	1.4
123.00826	0.9
123.08068	3.8
125.02341	5.1
125.09615	51.9
126.09929	2.0
127.02903	0.7
129.10201	0.7
133.70993	0.7
138.74405	0.7
143.03535	0.8
143.10664	0.8
161.02411	0.9
166.99792	1.5
169.01340	8.0
169.08620	1.0
177.66258	0.7
179.05515	1.5
187.09683	34.0
188.10034	1.9
209.11803	1.1
211.09738	0.8
221.06644	1.9
242.18898	0.8
247.02489	1.5
277.21707	5.8
300.99805	3.6
302.00070	0.9
356.69931	0.8
397.13409	1.4
550.31738	0.8
567.22699	1.5
585.24127	4.7
665.38690	0.8
682.41467	0.8
782.51935	4.8
783.51978	1.1
845.45416	47.7
846.45935	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	845.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.5
60.99179	16.7
61.98722	0.4
67.65293	0.3
69.81616	0.3
70.92437	0.8
71.01257	0.7
72.99176	0.4
75.62449	0.3
87.00758	1.6
88.00275	2.1
88.98679	100.0
89.02320	6.3
89.99019	0.5
107.01279	1.2
123.00773	1.2
125.02359	3.4
128.10986	0.3
145.02808	0.4
161.02397	0.3
163.00342	0.6
166.99768	0.8
169.01346	6.2
170.01634	0.3
171.10222	0.5
173.02394	0.3
174.35506	0.4
175.02429	0.4
209.11775	1.5
229.01476	0.3
248.02975	0.4
273.00510	0.3
300.99936	2.0
309.20511	0.5
339.98193	0.4
532.46185	0.4
589.14502	0.3
824.68665	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79000	0.5
59.01243	2.7
60.99177	17.7
64.00936	0.6
70.48247	0.6
71.01263	1.4
71.55861	0.8
72.99180	1.1
76.59112	0.6
85.02793	0.7
87.00751	3.3
88.00278	4.0
88.98678	100.0
89.02314	24.2
89.99014	0.9
101.02284	1.1
105.01829	2.6
113.02264	0.8
116.92721	1.3
119.67068	0.6
125.02328	1.3
169.01337	0.8
189.62263	0.7
209.11787	10.6
255.23289	4.6
277.21750	1.6
373.14996	0.7
397.13443	3.5
486.59076	0.8
499.97577	0.7
509.57901	0.7
673.01514	0.8
730.76453	0.7
869.21204	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.6
60.99177	17.3
65.89917	0.3
69.90561	0.3
72.99214	0.3
87.00747	1.1
88.00272	2.0
88.98675	100.0
89.02303	4.1
89.99032	1.0
95.01265	0.5
96.95879	0.9
101.02311	0.4
121.65689	0.3
123.00745	0.6
125.02325	1.3
166.99889	0.4
169.01266	2.6
171.10262	0.6
207.10181	0.4
209.11710	0.6
223.13380	0.6
229.54526	0.4
245.00935	0.4
253.09258	0.3
291.19696	0.8
300.99951	1.5
341.23184	0.4
487.75800	0.3
567.43213	0.4
843.53094	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.7
60.99178	17.7
61.98682	0.5
69.39633	3.2
71.01255	0.8
72.99172	0.4
78.95753	0.4
85.02842	0.4
85.13282	0.4
86.32494	0.3
87.00751	1.6
88.00279	1.5
88.98677	100.0
89.02310	5.9
89.99042	1.0
96.95901	0.5
99.00676	0.4
101.02341	0.5
106.53113	0.3
107.01266	0.6
123.00752	0.8
125.02365	2.8
169.01360	3.9
171.10159	0.4
200.77380	0.4
207.10185	0.7
209.11748	2.3
225.11234	0.5
237.15015	0.6
253.09204	0.5
273.00491	0.5
299.99121	0.6
300.99911	1.8
309.20663	0.6
309.90125	0.4
335.16122	0.4
452.53543	0.5
538.27966	0.4
717.47107	0.4
827.40765	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
68.19451	0.1
71.57549	0.1
84.81908	0.1
99.32046	0.1
107.21545	0.1
117.03357	0.4
119.04922	0.1
123.00771	0.3
125.02394	0.2
129.03363	0.4
133.02820	0.2
139.00342	0.1
143.04967	0.1
145.02831	1.3
147.04410	0.3
157.02834	0.8
159.00726	0.1
161.02400	0.2
163.03923	0.5
169.01350	0.3
171.00871	0.1
172.01540	0.2
173.02339	1.3
175.03894	0.1
184.01555	0.2
185.02370	2.5
186.02611	0.1
189.01855	0.5
191.03447	0.1
199.00354	0.2
200.01054	0.3
201.01862	2.0
202.99844	0.1
211.02405	0.1
213.01839	0.2
216.00607	0.2
217.01338	0.5
226.99809	0.6
228.00473	0.3
229.01367	3.4
230.01698	0.2
240.00504	0.2
244.00183	0.2
245.00858	1.4
254.99379	0.3
257.00873	1.7
258.01181	0.1
271.99673	0.1
273.00427	0.3
282.99414	0.1
283.99631	2.5
285.00104	0.2
299.99103	2.7
300.99878	100.0
302.00217	5.1
302.03741	0.1
302.05389	0.1
464.16660	0.1
541.22961	1.5
542.23273	0.1
774.60358	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.2
70.17643	0.4
73.02820	2.5
75.00771	0.3
99.00760	1.1
99.92458	10.5
100.92474	0.5
114.93280	0.6
116.92744	100.0
116.97120	0.5
117.01812	4.4
117.44553	0.1
117.92749	4.7
138.92232	0.1
209.11720	0.2
219.12276	0.1
277.21640	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.2
69.46815	1.0
72.99240	0.1
73.02818	2.7
75.00743	0.4
81.80415	0.1
99.00754	1.1
99.92461	12.2
100.92477	0.5
114.93287	0.6
116.03469	0.1
116.92747	100.0
116.97121	0.5
117.01823	4.3
117.02640	0.3
117.05460	0.2
117.92756	3.7
123.12636	0.1
159.95732	0.1
160.60219	0.1
209.11685	0.3
237.01387	0.1
262.21732	0.1
275.91129	0.1
277.21729	0.3
288.67484	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.3
60.25843	0.1
71.01260	0.3
89.02283	0.2
97.02843	0.2
97.94778	0.1
98.20632	0.4
101.36124	0.2
107.01282	0.2
117.03350	0.5
122.02273	0.2
123.00769	0.5
125.02349	0.9
129.03322	0.4
133.02881	0.3
139.00284	0.2
145.02837	1.2
147.04471	0.2
151.00209	0.2
157.02858	0.7
161.02368	0.3
163.03896	0.4
168.00606	0.1
169.01341	1.1
171.00812	0.3
172.01486	0.2
173.02354	1.2
175.03926	0.2
185.02359	2.3
189.01862	0.4
191.03342	0.2
193.01366	0.2
193.12778	0.2
199.00285	0.3
200.01097	0.3
201.01897	2.0
213.01823	0.2
216.00598	0.3
217.01314	0.6
226.99738	0.6
228.00473	0.2
229.01357	3.4
229.74857	0.2
245.00903	1.5
254.99388	0.2
257.00900	1.5
273.00375	0.5
275.02090	0.2
283.96741	0.1
283.99591	3.0
285.00073	0.3
298.98337	0.5
299.99081	2.9
300.02243	0.2
300.99887	100.0
302.00241	6.4
302.03745	0.3
313.05762	0.2
539.21295	2.0
540.21381	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	6.5
61.98700	1.9
71.01252	8.6
72.99171	0.7
73.02796	1.1
78.95770	0.8
82.95257	0.7
83.04937	1.1
85.02824	5.1
87.00750	2.0
89.02316	3.9
93.47658	0.7
95.01273	1.8
96.95896	7.5
97.02812	1.3
97.06470	2.7
98.20647	1.7
98.95464	0.8
101.02325	6.2
102.54362	0.6
107.01238	2.3
109.06443	1.0
113.02381	3.6
119.03385	1.1
123.00765	2.5
125.02334	9.0
125.09603	0.9
126.02663	0.8
127.11192	1.6
155.10672	0.9
161.04463	2.7
163.00336	1.2
169.01358	11.3
170.01659	1.7
171.10188	11.3
183.13837	3.1
189.01950	1.3
193.12274	1.1
195.13860	7.9
201.11345	1.3
207.10204	1.2
209.11790	2.8
211.13327	15.4
217.01253	1.4
221.11807	3.1
223.13361	5.3
229.01410	1.3
229.14388	10.4
229.91103	1.1
235.08205	6.4
239.12823	1.5
245.00812	1.3
253.09264	30.0
254.09572	1.4
258.84631	1.0
270.98709	0.9
275.01825	1.7
275.20117	5.2
276.20688	0.8
291.19714	4.8
293.21231	100.0
294.21567	8.2
298.98367	1.9
299.98892	1.9
300.99899	9.0
302.00070	2.1
309.20776	6.2
327.21759	69.6
328.22043	5.7
336.78378	0.9
364.31827	0.9
452.02069	0.7
452.53543	1.1
453.03671	1.5
463.02472	0.9
492.22192	1.1
529.30377	1.5
545.29816	1.4
563.30255	3.8
603.42365	3.7
604.42761	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	6.6
61.98706	6.7
71.01254	16.0
71.56621	4.7
78.95802	7.6
79.70058	4.7
80.20644	4.4
82.95290	10.4
96.95898	18.9
107.01276	6.2
113.02360	7.8
121.02854	16.5
123.00762	7.1
125.02349	12.3
142.34625	5.1
165.01857	10.4
169.01334	20.4
171.10187	10.8
207.10141	10.1
209.11740	100.0
210.12267	4.8
211.13385	12.2
225.11330	10.6
227.12869	21.8
235.08179	7.1
253.09200	24.7
289.18130	20.5
291.19617	7.3
300.99847	9.4
307.19067	31.5
309.20767	21.8
639.07159	5.7
792.10455	5.7
837.86646	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	839.384
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51391	2.2
59.01248	12.0
61.98701	7.4
71.01259	9.7
75.00774	2.7
76.23115	2.2
82.95270	8.2
83.02367	2.9
87.00761	3.1
89.02319	8.7
89.16422	2.3
96.95905	5.2
101.02342	5.2
113.02338	5.2
119.03356	3.0
121.02835	2.5
125.02330	9.1
139.92509	3.0
165.01869	2.5
169.01361	10.5
179.05640	3.0
183.02861	2.8
183.13841	4.2
207.10223	2.8
209.11824	5.8
211.13358	100.0
212.13649	5.0
217.11082	2.7
225.11290	3.3
233.11552	3.1
239.56335	2.3
275.01694	2.9
300.99945	5.3
379.12375	6.6
397.13507	29.0
415.14294	3.1
591.26373	14.2
609.27649	15.3
803.41058	6.4
839.38361	19.2
840.39728	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	839.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02818	1.2
75.00751	0.4
77.62296	0.2
95.28499	0.2
98.20642	0.5
99.00751	0.8
99.92464	12.1
100.92504	0.2
114.93300	0.5
115.94740	0.2
116.92747	100.0
117.01831	2.2
117.05465	0.4
117.92747	4.7
139.09814	0.2
151.75397	0.2
163.39978	0.2
231.86533	0.2
232.05417	0.2
277.21692	0.4
473.21902	0.2
479.26639	0.2
558.68958	0.2
564.28357	0.2
604.32074	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.384
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51391	2.2
59.01248	12.0
61.98701	7.4
71.01259	9.7
75.00774	2.7
76.23115	2.2
82.95270	8.2
83.02367	2.9
87.00761	3.1
89.02319	8.7
89.16422	2.3
96.95905	5.2
101.02342	5.2
113.02338	5.2
119.03356	3.0
121.02835	2.5
125.02330	9.1
139.92509	3.0
165.01869	2.5
169.01361	10.5
179.05640	3.0
183.02861	2.8
183.13841	4.2
207.10223	2.8
209.11824	5.8
211.13358	100.0
212.13649	5.0
217.11082	2.7
225.11290	3.3
233.11552	3.1
239.56335	2.3
275.01694	2.9
300.99945	5.3
379.12375	6.6
397.13507	29.0
415.14294	3.1
591.26373	14.2
609.27649	15.3
803.41058	6.4
839.38361	19.2
840.39728	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	839.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.5
61.99631	0.2
73.02825	1.2
78.95791	0.3
79.41755	0.2
86.71660	0.2
87.33963	0.2
96.95887	0.3
99.00748	0.8
99.92462	11.5
100.92484	0.6
103.06638	0.2
103.30527	0.2
111.36832	0.2
114.93304	0.8
116.03469	0.3
116.92745	100.0
117.01838	1.8
117.05415	0.2
117.92747	4.3
125.95527	0.2
128.91502	0.2
142.52646	0.2
143.57927	0.2
171.48253	0.2
209.11786	0.5
253.09302	0.2
260.62595	0.2
269.30478	0.2
277.21710	0.7
721.94800	0.2
723.19250	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	5.0
60.58978	0.4
61.98707	0.9
69.03321	1.2
71.01255	4.6
71.56955	0.4
71.57348	0.7
72.99178	0.4
73.02819	1.2
78.63982	0.4
78.91776	0.6
78.95789	1.8
79.95602	0.6
80.96392	0.9
81.03347	0.6
83.01263	0.7
83.04897	0.6
85.02814	1.4
86.76818	0.5
87.00739	1.0
89.02325	3.0
95.01270	1.1
96.95887	3.6
96.96842	1.0
97.06475	0.9
101.02324	4.6
107.01287	0.8
109.06424	0.5
111.08039	13.5
113.02342	2.7
119.03377	1.2
121.10096	0.6
123.00775	0.8
125.02338	3.3
125.09602	0.5
127.07553	1.2
139.11066	0.5
143.03308	0.5
151.11226	0.5
152.99480	0.4
153.09094	0.4
153.12743	1.2
161.04474	2.3
163.11108	0.4
165.09140	1.3
165.12868	0.5
166.99741	0.7
169.01353	3.8
169.12265	6.3
171.10201	0.7
179.05467	1.1
179.10712	0.8
181.12282	2.0
183.13892	0.8
193.12317	0.9
193.34579	0.4
197.11766	73.8
198.12077	2.9
199.13338	4.1
209.11761	0.6
211.13342	11.1
211.15182	0.4
212.13681	0.8
227.12871	1.8
235.08090	2.4
247.02545	0.5
247.20692	0.6
253.09259	22.3
254.09575	0.6
263.20154	4.2
265.17953	2.2
273.18552	1.1
275.01816	0.6
291.19659	23.5
292.19833	2.0
293.25027	0.4
299.99155	0.6
300.99799	2.3
306.54953	0.4
309.20706	100.0
310.21045	7.6
433.20670	1.0
452.03372	0.7
527.28534	0.7
545.29675	2.4
599.50665	0.5
601.40833	1.5
630.49023	0.4
719.15308	0.5
837.48712	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00984	0.7
59.01251	6.2
61.98695	0.7
65.17649	0.6
66.67073	0.5
69.03334	0.9
70.03956	1.1
70.04366	2.2
71.01250	5.9
73.02821	1.6
74.77554	0.5
78.95765	0.5
80.96392	0.6
83.01250	1.1
83.04900	1.2
84.02045	2.9
85.02831	1.7
87.00732	1.0
89.02328	4.2
91.03806	0.5
96.95885	4.5
96.96791	0.6
97.02800	0.9
97.06470	6.5
99.00784	0.6
99.04379	1.3
101.02327	5.9
111.04370	0.5
113.02339	3.6
119.03387	1.2
125.09583	1.0
133.04955	0.6
137.09570	0.9
143.03395	0.9
145.04950	0.9
145.97543	0.7
157.04980	0.6
158.40346	0.5
161.04474	2.1
171.10188	11.4
175.11113	0.8
179.05586	0.9
183.13783	0.7
185.11850	0.5
193.12296	8.6
209.11758	2.0
211.13347	2.3
221.11868	0.7
225.14903	14.4
226.15140	0.6
235.08221	8.8
243.16020	5.9
253.09251	16.0
253.14459	1.0
254.09489	0.7
275.20267	0.5
277.21725	100.0
278.22052	7.7
291.19730	1.8
305.21207	0.9
323.22174	2.1
341.23322	78.6
342.23709	5.4
481.33511	0.6
577.32550	0.8
601.44800	3.3
724.98663	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	1.0
63.96097	1.6
69.03309	1.0
70.13918	2.8
71.01258	8.4
73.02816	2.0
76.97317	0.7
78.98468	7.6
79.95611	19.0
80.96395	100.0
82.28204	0.7
85.02843	3.7
87.00782	3.5
94.97967	18.0
96.95889	2.4
97.02815	1.8
101.02316	2.2
106.97986	4.1
107.00616	0.7
122.96695	0.7
122.97469	4.2
124.13434	0.7
125.02332	3.1
134.97473	5.3
136.99013	1.3
148.99048	7.4
152.98534	4.6
164.98550	12.0
206.99614	2.3
213.49309	0.8
225.00722	10.3
277.21732	1.6
463.98187	0.9
467.99869	0.8
559.25818	2.6
680.19342	0.8
837.48285	83.7
838.48676	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	837.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.7
63.96116	1.0
69.03317	0.6
69.08549	0.5
71.01254	7.6
71.19910	1.2
72.24791	0.6
73.02818	1.5
78.98462	5.9
79.95611	12.4
80.96394	80.8
85.02807	2.7
87.00762	2.6
89.08044	0.5
94.97962	14.7
96.95879	1.0
97.02824	1.7
101.02328	2.1
106.97961	2.9
122.97449	3.0
125.02355	3.4
127.03925	1.2
134.97464	4.8
136.99054	1.8
148.99040	7.4
152.98514	6.1
164.98549	12.3
167.00044	0.6
206.99637	2.6
210.29553	0.5
225.00696	16.8
277.21686	1.7
281.32642	0.7
283.04868	0.6
297.09744	0.5
403.70068	0.5
481.80319	0.6
559.26031	3.2
577.28143	0.7
837.48297	100.0
838.48639	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	837.413
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00454	2.4
59.01253	66.2
61.98702	30.8
65.12782	2.1
68.99728	1.9
69.03334	5.8
69.55429	14.3
71.01254	68.1
72.99188	7.3
73.02818	12.3
77.34971	1.6
78.91769	1.5
78.95768	3.4
79.95630	4.1
80.91582	3.9
80.96390	9.5
81.03322	2.9
82.95291	7.4
83.01270	7.2
85.02816	12.9
87.00751	23.1
89.02316	59.6
95.01281	8.2
95.04887	1.9
96.95904	7.9
97.02840	7.1
101.02323	50.7
107.01286	4.6
113.02322	29.3
119.03385	13.0
123.00769	7.6
125.02352	29.0
129.14081	1.7
131.03423	8.4
143.03415	11.7
161.04469	15.5
163.00185	2.2
164.98509	1.8
166.99779	4.8
167.03284	1.9
168.00510	2.5
169.01361	17.2
179.05525	25.7
189.01740	1.9
197.11755	7.4
203.05551	2.5
205.25214	1.8
209.11768	26.8
210.12180	2.6
211.13371	2.1
219.09953	3.3
221.06613	14.0
225.00700	3.5
225.14873	2.0
227.12918	3.9
231.09985	7.3
233.11552	2.2
235.08168	7.0
249.11069	5.1
253.09315	6.7
275.07413	2.6
277.21667	23.0
291.19620	3.4
299.99072	2.4
301.00046	9.1
309.20703	9.2
323.09747	2.5
331.18869	3.8
379.12436	7.6
383.11798	4.1
397.13446	20.9
415.14539	7.3
425.12973	2.0
439.14548	4.0
451.01794	2.0
485.14713	4.5
559.18835	100.0
560.18915	7.4
577.19849	41.6
578.20239	2.7
654.18506	1.8
721.37653	2.1
837.40137	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	836.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.2
61.07647	0.2
61.98703	100.0
71.01253	2.4
71.57253	0.3
72.99207	0.2
78.95789	0.2
80.96394	0.3
83.04903	0.4
85.02813	0.4
85.62592	0.2
87.00759	0.4
89.02322	0.8
91.95689	0.2
96.95914	0.5
101.02349	0.6
107.01355	0.2
113.02357	0.3
114.93296	0.4
116.92747	0.4
121.02866	0.3
123.00736	0.3
125.01553	0.2
125.02310	1.2
166.99811	0.3
169.01352	1.7
171.10320	0.3
172.10556	0.2
181.12285	0.2
183.13895	0.6
199.13390	0.5
202.97388	0.2
207.10265	0.4
209.11761	2.8
210.12195	0.9
211.13348	0.7
225.11336	0.4
227.12920	1.1
228.13148	0.3
236.35063	0.2
273.00452	0.2
276.16437	0.2
277.33289	0.2
300.99939	1.0
307.27118	0.3
307.38611	0.2
393.71780	0.2
397.13620	0.7
398.14001	0.5
417.70810	0.2
607.88904	0.3
724.41876	0.3
836.39996	1.5
837.40118	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	19.6
61.98700	20.2
71.01257	15.7
71.57253	3.0
73.02824	3.3
78.95769	7.8
79.95626	3.9
80.96395	8.8
81.03327	3.4
83.01251	3.4
83.04874	2.0
85.02821	6.3
87.00771	3.8
89.02309	7.9
89.03400	1.5
92.92637	3.5
92.95188	1.5
94.97963	2.0
95.01263	2.0
95.04886	3.9
96.95885	29.5
96.96837	3.2
97.02814	5.1
97.06467	7.8
101.02319	12.8
109.06451	2.8
111.00774	3.7
111.08038	19.2
113.02322	5.5
113.71999	1.6
117.96249	1.8
119.03383	2.9
121.06448	2.2
123.04397	4.7
123.08051	3.5
125.02289	2.8
125.09585	9.5
135.08064	2.7
137.05936	1.6
137.09619	3.8
140.60959	1.6
151.11194	2.3
153.12781	3.2
161.04428	5.6
163.07637	1.7
163.11168	10.0
165.12814	3.7
167.10735	2.6
169.01289	3.6
169.12251	7.4
171.10190	4.7
179.10660	1.6
181.12277	3.7
185.11728	7.0
191.05501	6.6
191.14360	11.7
193.12180	3.2
197.11754	90.0
198.12009	2.6
199.09639	2.6
199.13335	5.2
207.10231	3.9
209.11758	32.1
211.13351	18.5
225.11226	3.5
227.12917	5.1
235.08231	4.6
237.11272	5.5
241.01262	2.4
245.19066	17.6
249.14984	2.3
253.09279	38.7
263.20230	12.3
271.16995	3.3
277.21753	17.8
279.23236	11.5
289.18100	100.0
290.18399	6.3
291.19662	37.7
292.19965	2.4
300.99911	3.5
307.19128	90.3
308.19458	7.7
309.20685	94.3
310.21011	5.8
321.60159	1.7
397.13919	2.8
404.19370	1.5
502.56854	1.8
540.11877	1.7
544.28851	1.9
753.47809	1.8
834.00159	2.0
835.41211	19.6
836.42108	5.5
843.24341	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	835.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	19.6
61.98700	20.2
71.01257	15.7
71.57253	3.0
73.02824	3.3
78.95769	7.8
79.95626	3.9
80.96395	8.8
81.03327	3.4
83.01251	3.4
83.04874	2.0
85.02821	6.3
87.00771	3.8
89.02309	7.9
89.03400	1.5
92.92637	3.5
92.95188	1.5
94.97963	2.0
95.01263	2.0
95.04886	3.9
96.95885	29.5
96.96837	3.2
97.02814	5.1
97.06467	7.8
101.02319	12.8
109.06451	2.8
111.00774	3.7
111.08038	19.2
113.02322	5.5
113.71999	1.6
117.96249	1.8
119.03383	2.9
121.06448	2.2
123.04397	4.7
123.08051	3.5
125.02289	2.8
125.09585	9.5
135.08064	2.7
137.05936	1.6
137.09619	3.8
140.60959	1.6
151.11194	2.3
153.12781	3.2
161.04428	5.6
163.07637	1.7
163.11168	10.0
165.12814	3.7
167.10735	2.6
169.01289	3.6
169.12251	7.4
171.10190	4.7
179.10660	1.6
181.12277	3.7
185.11728	7.0
191.05501	6.6
191.14360	11.7
193.12180	3.2
197.11754	90.0
198.12009	2.6
199.09639	2.6
199.13335	5.2
207.10231	3.9
209.11758	32.1
211.13351	18.5
225.11226	3.5
227.12917	5.1
235.08231	4.6
237.11272	5.5
241.01262	2.4
245.19066	17.6
249.14984	2.3
253.09279	38.7
263.20230	12.3
271.16995	3.3
277.21753	17.8
279.23236	11.5
289.18100	100.0
290.18399	6.3
291.19662	37.7
292.19965	2.4
300.99911	3.5
307.19128	90.3
308.19458	7.7
309.20685	94.3
310.21011	5.8
321.60159	1.7
397.13919	2.8
404.19370	1.5
502.56854	1.8
540.11877	1.7
544.28851	1.9
753.47809	1.8
834.00159	2.0
835.41211	19.6
836.42108	5.5
843.24341	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	835.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	2.4
59.01251	26.2
61.98707	40.0
69.03334	3.2
71.01257	100.0
72.99197	1.8
73.02839	6.6
75.00739	1.6
78.95799	2.0
79.95609	14.2
80.96398	13.8
81.03333	3.0
83.01260	3.3
83.04901	3.7
84.02059	1.5
85.02834	7.9
87.00753	9.1
89.02322	20.6
94.97949	3.0
95.01268	4.7
95.04934	1.9
96.95855	7.3
97.02827	7.3
97.06460	1.8
99.00738	4.4
101.02319	20.5
101.02916	1.9
106.04068	1.5
107.01276	2.2
109.06486	8.8
113.02325	11.0
119.03391	5.5
123.00771	6.3
125.02354	15.4
125.09599	2.4
131.03427	1.3
134.97446	1.5
139.07588	1.7
141.01772	1.9
143.03401	3.0
145.02791	1.5
152.98567	1.8
161.04471	6.1
163.11206	10.4
165.12766	2.3
166.99751	5.8
168.00510	2.1
169.01337	15.8
171.10190	15.2
179.05496	4.9
181.12231	5.4
183.13837	6.3
185.11864	2.0
185.91803	1.5
186.47818	1.4
193.12334	1.5
197.11671	1.7
199.13293	12.7
201.11293	17.3
204.56416	2.0
207.10222	24.6
208.10608	1.8
209.11771	56.2
211.13336	64.4
212.13728	3.0
214.99864	1.6
217.63123	1.5
221.06583	3.7
225.00662	5.4
225.11282	33.5
226.11520	1.7
227.12854	36.0
235.08246	4.5
241.01218	1.4
243.12337	5.0
244.00114	1.4
247.02751	2.0
247.13445	2.3
253.14355	1.5
273.00421	1.7
275.02039	1.9
279.22955	1.6
287.07697	2.4
299.99100	2.8
300.99945	8.1
302.00305	1.9
379.12387	2.7
395.24866	1.3
397.13525	30.1
401.23257	2.4
402.85190	1.5
415.14648	10.2
419.24454	2.3
451.02646	2.6
452.03156	2.3
605.24701	2.1
623.25470	5.3
643.35211	1.5
799.37347	3.9
817.38641	12.9
818.39178	3.3
835.39093	18.7
836.39423	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	835.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00470	0.5
59.01250	10.1
67.01762	0.2
68.99696	0.2
69.03320	0.5
69.60233	0.9
71.01254	8.9
71.04884	0.2
72.99163	0.7
73.02823	1.2
75.00756	0.2
80.02556	1.1
81.03329	1.9
83.01265	1.1
83.04893	5.5
84.02035	1.0
84.82795	0.1
85.02818	2.1
87.00749	2.0
89.02319	7.3
93.03323	0.4
95.01266	0.9
95.04916	0.9
96.01600	0.1
97.02827	1.4
97.06475	0.3
99.00771	0.4
101.02322	6.1
101.02998	0.3
103.92180	0.2
107.01276	0.3
109.02850	0.2
109.06471	0.5
109.68884	0.1
111.00723	0.2
111.04354	0.3
113.02332	4.0
115.03883	0.3
119.03393	1.9
121.02876	0.2
123.00801	0.3
123.08080	0.2
125.02329	3.8
125.05986	0.8
125.09612	0.4
131.03407	0.3
132.48714	0.1
134.05971	0.2
135.08061	0.8
137.02328	0.2
139.03937	0.2
139.07474	0.1
141.01843	0.2
143.03383	1.2
145.04968	0.2
147.11740	0.3
149.02312	0.2
150.03120	0.2
151.03975	0.2
161.04469	1.4
163.11201	4.5
163.12502	0.3
164.11554	0.3
165.12773	2.8
166.99754	0.2
167.03325	0.2
169.01347	1.4
171.10168	1.1
179.05539	2.2
181.12248	0.6
185.11810	0.2
189.01767	0.1
191.10741	1.1
199.13390	0.6
207.10297	0.2
209.11769	100.0
210.12105	5.0
211.13382	0.2
217.07094	0.4
221.06676	0.7
221.11830	0.5
223.13333	0.3
225.11369	0.2
227.12836	14.5
228.13258	0.8
233.12143	0.2
235.08195	2.3
245.06628	0.2
247.02696	0.2
247.13319	1.0
249.15024	0.2
251.12848	0.5
253.09245	0.4
259.08243	0.2
263.07822	0.2
265.14569	0.3
287.07626	0.8
300.99893	0.6
305.08804	0.7
323.09918	0.5
330.21130	0.1
369.20853	0.2
379.12491	2.1
397.13474	16.9
398.13782	1.0
401.23447	0.2
415.14557	4.8
416.15317	0.2
419.24506	0.4
437.25339	0.2
440.12561	0.2
607.25940	0.7
773.36066	0.2
791.36395	0.2
799.37030	0.5
803.31165	0.3
817.38702	0.4
835.39819	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	0.5
59.01254	10.1
66.89518	0.3
68.11875	0.2
68.99696	0.3
69.03327	0.4
69.59921	1.9
70.50864	0.2
71.01256	8.2
72.99189	0.7
73.02819	1.1
80.02550	1.5
81.03333	2.0
83.01263	1.1
83.04901	5.3
84.02036	1.0
85.02832	1.8
87.00764	2.1
87.69720	0.3
89.02317	8.3
91.03920	0.2
91.95022	0.2
93.03326	0.3
95.01274	0.7
95.04915	0.7
95.94273	0.3
96.19920	0.2
96.95895	0.3
97.02832	1.1
97.06483	0.3
98.19788	0.3
98.49380	0.3
99.00764	0.5
101.02329	5.9
105.42008	0.2
109.06455	0.2
111.39755	0.2
113.02340	3.2
119.03407	1.8
123.00759	0.3
125.02342	3.4
125.05969	0.7
131.03400	0.3
135.08063	0.6
139.03906	0.3
143.03410	1.0
149.04422	0.2
161.04465	1.4
163.11215	4.2
165.12794	2.5
169.01355	1.2
171.10181	1.1
179.05582	1.9
181.12270	0.7
189.98352	0.3
191.10713	0.9
199.13272	0.5
209.11781	100.0
210.12119	4.5
217.07162	0.5
221.06688	0.6
227.12856	13.1
228.13185	0.7
235.08177	1.9
242.57011	0.2
247.13348	1.1
251.12810	0.6
253.09225	0.4
262.36389	0.3
287.07706	0.7
305.08673	0.8
323.09796	0.5
379.12521	2.3
397.13498	16.8
398.13785	1.3
415.14557	5.3
416.15143	0.6
607.26410	0.4
817.38287	0.3
835.39899	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	1.9
59.01251	27.7
61.07435	1.1
61.98706	45.4
63.22382	1.2
68.99677	1.2
69.03323	3.0
70.43286	2.4
70.43668	2.7
71.01257	100.0
72.01570	1.2
72.99176	3.2
73.02823	4.8
74.93347	1.2
75.23316	1.0
78.91763	4.7
78.95778	4.8
79.95602	5.3
80.96396	11.7
81.03333	2.5
83.01257	4.0
83.04914	4.2
84.02031	1.9
85.02825	7.7
87.00750	7.1
89.02317	20.7
94.97966	2.5
95.01251	4.3
95.04920	1.5
96.01842	1.2
96.95896	4.6
97.02837	6.5
99.00748	4.5
101.02322	18.0
107.01287	2.9
109.06480	7.7
111.04379	1.3
111.07973	1.5
113.02338	11.2
113.62671	1.1
119.03409	6.8
123.00758	5.9
125.02347	19.2
125.09611	1.6
126.02631	1.1
141.01820	1.3
143.03404	3.8
161.04459	4.6
161.09590	1.2
163.11195	7.7
165.09041	1.6
165.12782	2.2
166.99779	3.8
169.01346	17.8
171.10172	13.8
179.05544	6.8
181.12283	6.4
183.13837	8.6
185.11798	1.3
189.01776	1.9
189.09100	1.9
197.11784	1.4
199.13316	18.6
201.11263	13.0
207.10219	23.2
209.11789	49.4
209.13789	2.6
210.12047	3.8
211.13354	69.5
211.52138	1.4
212.13690	3.5
215.12779	2.3
221.06601	2.8
225.00768	3.0
225.09116	1.1
225.11255	25.2
226.11472	1.3
227.12848	36.6
229.01497	1.8
229.14355	2.4
235.08228	5.7
243.12370	3.7
245.14020	1.6
247.02545	1.2
247.09500	1.5
247.13300	1.8
253.09282	2.1
253.14586	1.5
279.23038	1.8
299.99252	2.6
300.99945	9.0
303.46783	1.2
373.23242	1.5
379.12518	4.6
391.24789	2.0
397.13565	33.8
398.13925	2.6
401.23358	3.8
415.14386	9.7
416.14902	1.5
419.24216	3.6
426.77008	1.4
451.02481	1.3
466.02386	1.6
481.19180	1.4
540.44135	1.2
573.10181	1.3
605.24384	2.3
607.26019	2.5
623.25580	3.3
625.26953	4.2
750.31238	1.5
799.37335	6.0
817.38763	12.8
818.39362	3.1
835.39697	18.8
836.41150	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	835.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00473	2.5
58.20977	1.9
58.46806	1.6
59.01249	33.9
69.40314	11.0
69.40733	4.2
70.59714	1.8
71.01249	26.1
72.99158	3.0
73.02818	3.0
80.04942	2.9
83.01263	2.2
83.04899	2.5
85.02826	6.3
87.00736	3.2
89.02304	17.8
95.01278	4.2
101.02339	12.4
106.06487	7.1
107.01244	2.5
113.02320	9.2
113.12347	1.7
116.24643	1.7
117.17339	1.6
119.03390	4.6
122.06004	12.7
123.00739	2.3
125.02329	9.0
132.04408	2.1
134.06018	29.9
146.06067	2.1
148.03940	2.7
152.07071	6.5
160.06354	2.0
161.02347	2.4
163.11188	2.1
165.12822	2.8
165.45906	2.1
166.99791	3.4
169.01361	10.4
188.07111	2.4
190.05045	2.9
209.11765	49.2
213.10254	9.1
223.08769	2.4
225.10181	2.9
226.11012	1.9
227.12814	8.7
236.52759	2.0
237.10089	2.8
239.11810	8.3
241.13419	5.7
249.10275	4.8
251.08374	3.2
251.11865	6.0
253.09662	5.3
263.08136	5.2
264.09167	2.9
265.09711	5.3
266.10471	2.6
267.11426	7.3
276.09058	2.3
277.09848	8.2
278.06854	3.0
278.10599	5.9
279.07706	6.1
279.11334	9.6
281.05695	1.9
281.08954	2.0
285.12399	12.8
291.07840	2.5
293.09457	11.6
294.10049	3.1
295.10797	7.3
300.99780	3.2
301.03369	2.4
305.09427	2.1
307.10855	6.7
309.12573	2.0
328.10727	3.2
337.08051	2.2
339.09879	3.7
351.09796	3.2
356.13828	2.6
358.15607	4.0
370.16028	2.9
384.13229	3.5
384.17480	2.2
397.13501	9.1
398.14993	3.6
400.16769	8.5
412.16766	6.0
412.77899	1.8
414.17975	2.3
425.17612	2.4
440.16397	2.0
486.16928	3.2
508.19406	2.0
620.22357	4.6
638.23529	7.8
648.21741	2.5
649.22552	5.1
666.22980	43.1
667.23328	4.5
669.57562	2.4
680.24591	5.6
712.27124	12.4
727.29382	9.0
771.28772	59.9
772.28503	11.0
803.31427	100.0
804.31696	20.0
835.33850	14.5
836.34509	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	834.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.5
61.98704	100.0
62.98390	0.2
69.90523	0.1
71.01266	0.6
78.91783	0.2
78.95784	0.5
80.96406	0.3
83.04877	0.1
85.02848	0.2
89.02358	0.1
96.95904	0.3
98.20580	0.3
101.02345	0.2
109.06459	0.2
125.02360	0.4
152.99484	0.2
169.01378	0.4
171.10204	0.2
200.39799	0.2
207.10197	0.4
209.11778	1.4
210.12184	0.2
211.13344	0.2
225.11295	0.3
247.29572	0.2
255.23447	0.2
259.22763	0.1
267.67337	0.2
293.21112	0.2
300.99966	0.4
397.13303	0.3
508.21503	0.2
618.85553	0.2
657.34882	0.2
658.32983	0.2
834.38922	0.3
835.40454	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00471	1.8
59.01255	30.1
65.03854	1.0
68.99689	0.9
69.03339	2.2
69.54805	0.8
70.05437	2.8
71.01257	23.7
71.04920	0.8
72.99168	1.2
73.02823	3.1
76.93658	0.8
80.02531	2.0
81.03322	4.2
83.01271	2.9
83.04897	9.0
84.02039	1.7
85.02833	4.4
87.00757	4.4
89.02319	18.3
93.03355	3.2
95.01268	2.1
95.04910	2.1
97.02840	8.9
97.06453	1.4
99.00753	2.6
101.02330	15.0
107.04889	1.2
109.06483	24.5
110.03635	1.5
113.02345	8.3
119.03405	5.6
121.02799	1.0
121.06449	2.1
123.08024	1.1
125.02347	4.7
125.05976	0.9
125.09611	2.5
135.08083	4.7
136.05179	1.6
139.03946	0.8
141.01833	1.0
142.02625	2.5
143.03384	3.1
145.10123	1.0
149.09610	0.8
161.04477	3.0
161.09625	2.4
163.11205	20.2
165.12799	3.8
171.10214	3.8
179.05577	3.4
179.10706	1.0
181.12320	3.9
185.11703	1.6
187.29166	0.8
189.09152	1.4
191.10884	1.1
201.11241	1.2
206.15651	0.8
207.10213	66.6
208.10503	2.6
209.11778	100.0
210.12131	5.0
217.12224	1.3
221.06648	1.8
223.13272	1.2
225.11278	33.1
226.11607	0.8
227.12839	11.5
235.08208	4.2
235.13338	1.9
243.12163	1.2
245.11769	1.4
247.13347	1.1
249.11288	2.2
251.12828	1.0
263.07867	1.0
263.12930	3.1
281.13638	0.9
299.14963	1.4
305.08725	1.1
307.52429	0.8
355.23248	0.9
379.12546	1.7
397.08383	1.4
397.13504	24.8
398.13882	1.8
399.21677	3.4
400.18420	0.8
415.14587	8.1
417.22803	7.1
435.23633	1.2
605.24414	3.2
623.25812	5.5
635.29309	1.0
797.36298	9.5
798.37000	1.9
815.36981	18.5
816.37518	2.9
833.38110	26.4
834.38568	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	833.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.13776	0.5
62.76426	0.4
70.43677	1.1
70.44070	1.4
71.02065	0.5
78.22509	0.5
80.98372	0.4
82.93464	0.5
109.02911	0.6
110.90061	0.4
114.86396	0.5
121.87074	0.4
123.00690	0.5
124.01534	0.7
137.02356	3.1
145.02831	0.9
147.04425	1.9
157.02921	0.6
159.04439	1.4
161.02335	0.6
163.00322	1.3
163.03862	1.1
165.01884	1.0
173.02348	1.2
175.02580	0.7
175.03896	3.0
177.01854	0.9
177.05472	0.7
185.02409	2.1
187.03996	0.6
189.01862	1.0
190.99866	0.6
191.03477	1.7
193.01357	3.1
193.04956	0.9
201.01872	1.9
203.03445	7.1
205.01395	0.7
205.05014	1.3
217.01366	0.9
218.99321	0.8
219.02901	0.7
221.04573	1.3
226.99922	0.6
229.01440	4.6
231.02971	2.1
237.00377	4.0
245.00917	2.1
247.02478	4.7
248.02678	0.6
249.04012	2.9
257.00900	3.2
258.01331	0.6
270.98639	0.6
273.00378	0.9
274.00787	0.6
275.01999	10.1
276.02261	0.7
279.01483	3.6
283.99652	2.4
291.01434	0.8
293.03094	0.8
299.99081	3.2
300.99902	100.0
302.00214	6.9
307.04501	0.6
316.99484	0.5
319.00943	1.4
339.03525	0.8
399.05807	4.1
481.06259	2.9
499.07587	0.9
701.06329	1.5
801.08069	1.6
805.11688	1.1
833.09930	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23006	0.3
61.44947	0.3
65.00206	0.4
68.94629	0.3
70.99570	0.3
71.56244	0.3
73.85617	0.3
81.03303	0.3
93.03320	0.3
95.01265	0.3
109.02832	0.6
117.03336	0.7
117.57361	0.3
119.04921	0.7
123.00774	0.9
125.02338	1.1
129.03392	0.3
133.02859	0.8
135.04388	0.6
137.02347	2.7
145.02837	1.1
147.00711	0.3
147.04427	1.1
149.02303	0.7
149.05939	0.5
157.02856	0.7
159.00638	0.3
159.04414	1.2
161.02313	0.3
163.00279	1.2
163.03905	0.8
164.00978	0.4
165.01826	1.3
169.01295	0.5
173.02412	1.7
173.04503	0.4
174.03249	0.3
175.03903	3.7
176.04375	0.3
177.01811	1.0
177.05479	1.3
185.02397	2.5
187.03893	0.9
189.01866	1.2
190.02594	0.7
190.99759	1.0
191.03397	1.4
192.00627	0.3
193.01349	4.2
193.05000	0.9
201.01880	2.9
202.02477	0.4
203.03435	7.9
204.03836	0.5
204.23694	0.3
205.01384	0.7
205.05095	2.0
208.00058	0.5
209.00853	0.6
213.02034	0.7
217.01393	0.7
218.99287	1.0
219.02954	1.0
220.03661	0.4
221.04486	1.2
226.99831	0.5
229.01379	5.3
231.02948	3.6
235.02429	0.6
237.00378	2.8
245.00841	1.6
247.02431	4.4
249.03993	3.3
257.00861	3.9
258.01752	0.6
265.03534	0.5
273.00488	1.1
274.01147	0.4
275.01993	11.1
276.02286	0.6
279.01511	2.8
283.99631	2.3
291.01550	0.8
293.03085	0.8
299.99118	2.2
300.99887	100.0
302.00192	6.5
303.00110	0.4
319.00912	1.0
335.04150	0.3
337.02032	0.9
339.03522	0.5
379.03210	0.3
399.05734	2.9
419.06223	0.6
463.05157	0.3
481.06256	2.5
499.07413	0.6
701.05878	1.5
773.08051	0.5
789.11707	0.6
801.07538	1.4
805.11230	1.0
815.09503	0.4
833.09912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.0
61.98704	100.0
70.18742	0.4
71.01263	0.6
71.56033	0.4
71.56432	0.6
72.99185	2.0
75.00739	0.6
78.95789	1.4
86.07496	0.5
87.46339	0.3
88.98688	1.6
92.92696	0.5
95.01244	0.5
96.95884	1.0
122.72656	0.4
123.94215	0.4
125.02336	0.9
146.57265	0.4
169.01392	1.4
171.10196	0.4
197.11725	0.4
207.10164	0.6
207.55470	0.4
209.11868	0.8
211.13333	0.8
252.76111	0.4
255.23367	0.7
277.21628	0.4
295.95615	0.4
300.99884	1.1
353.03146	0.4
544.75629	0.4
832.50287	1.1
837.66138	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.80880	1.3
71.01258	5.8
71.37908	3.0
71.58845	1.6
73.02819	2.0
78.98450	7.2
79.95606	32.3
80.96394	78.4
82.95959	1.9
85.02813	2.4
87.00734	1.8
89.37601	1.3
94.97953	15.4
96.95890	1.5
101.02357	2.6
106.97943	3.7
122.97462	4.4
125.02380	3.2
127.03930	2.1
134.97437	6.9
136.99039	2.2
148.99081	7.6
152.98544	6.0
158.43411	1.3
164.98553	12.4
189.89758	1.3
191.79060	1.3
198.35397	1.4
206.99667	4.2
210.27310	1.2
218.99030	1.3
224.02832	1.4
225.00697	22.7
241.00017	1.8
255.23271	2.1
283.04922	2.1
514.07910	1.3
537.27167	2.0
701.96655	1.6
831.49335	100.0
832.49585	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	831.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89922	6.5
70.90259	4.9
71.01244	8.5
75.37316	2.8
78.98467	7.6
79.95605	31.4
80.96391	83.4
85.02796	2.9
94.97933	18.7
106.97997	2.9
122.97449	6.4
125.02316	6.1
134.97511	6.7
148.99031	9.0
152.98532	6.2
155.53548	3.3
164.98535	16.1
206.99364	3.5
221.51080	3.0
225.00748	20.7
310.27322	3.2
353.17209	3.0
475.34393	3.3
510.31085	3.7
711.42438	3.6
831.49298	100.0
832.49658	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	831.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	3.4
59.85538	0.8
71.01231	1.4
71.56336	1.2
78.95778	100.0
79.95609	2.3
80.96386	8.2
94.97976	1.5
96.96847	22.2
100.89851	0.8
123.89915	0.7
141.01474	0.9
150.97905	0.9
152.08481	0.9
152.98329	1.6
152.99493	27.2
153.00719	1.4
217.00180	1.2
223.00092	11.5
225.00647	1.4
241.01164	38.5
242.01567	2.0
255.23286	73.2
256.23575	5.5
259.02283	4.1
277.21735	43.3
278.22025	3.3
297.03775	2.6
358.73151	0.9
391.22522	9.1
408.35498	0.9
413.20752	1.2
420.77798	0.8
553.28027	7.1
571.28931	1.4
575.25891	1.1
831.50287	88.2
832.50427	16.4
833.42426	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	18.0
61.98699	67.5
71.01259	21.1
75.00739	47.6
75.26293	5.4
75.84378	5.8
78.95775	100.0
80.96387	7.7
85.02860	5.8
85.78513	6.3
88.98719	9.6
96.95874	9.8
96.96854	20.8
97.02803	10.2
101.02350	8.3
103.34492	5.8
107.35549	6.2
111.00707	6.4
119.03428	7.6
149.23433	6.6
152.99480	16.3
169.01370	18.9
171.10237	17.2
207.10217	18.7
209.11798	18.9
211.13354	20.0
223.09680	10.5
225.11342	15.9
241.01009	10.3
253.09373	7.7
255.23373	23.0
260.26074	7.4
277.21762	11.2
291.19711	14.2
300.99942	13.6
309.20840	15.0
327.94479	7.6
529.51782	6.6
633.40222	33.7
705.64642	7.1
831.36914	8.8
831.50879	17.7
832.49280	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	831.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00453	1.4
59.01251	19.6
61.08781	0.6
61.98697	1.9
69.03310	3.6
70.05002	3.4
70.25333	0.5
71.01250	18.0
71.04894	1.0
72.99165	2.6
73.02809	2.0
74.01414	0.6
78.95782	1.2
80.02563	1.1
81.03336	2.1
83.01276	1.3
83.04897	5.8
84.02050	1.1
85.02823	3.6
85.06432	0.7
87.00751	4.2
89.02319	15.7
95.01237	1.2
95.04887	1.4
96.95918	3.1
97.02816	2.6
99.00764	1.7
101.02321	12.8
109.06470	0.7
112.98676	0.9
113.02328	6.7
119.03405	4.7
125.02309	5.0
131.03448	1.0
135.08043	0.7
141.01651	0.8
143.03378	2.2
161.04480	4.0
163.11214	4.7
165.12737	2.1
167.10709	2.1
169.01328	1.5
171.10118	1.3
177.12839	0.8
179.05519	4.3
179.10658	1.1
179.14348	3.0
181.12308	0.8
187.11125	0.7
195.13835	9.3
205.12285	6.7
209.11766	100.0
210.12158	3.9
211.13350	2.1
221.06671	2.0
223.13347	70.8
224.13699	2.4
227.12837	16.2
235.08167	4.2
240.03499	0.7
241.01237	0.7
255.23221	1.2
261.14917	1.3
277.21844	0.9
287.07632	1.5
300.99866	1.2
305.08923	1.5
323.09863	1.4
379.12421	3.0
397.13492	37.4
398.13666	0.9
415.14578	9.4
603.26819	1.5
604.35254	0.6
607.25879	1.4
621.27704	5.1
707.35223	0.7
813.39209	0.7
831.50165	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00477	0.5
59.01251	17.5
61.98702	4.4
65.02217	0.4
68.99715	0.5
69.03328	1.9
71.01252	15.3
72.99176	1.3
73.02818	2.6
75.00764	0.5
78.15995	0.4
78.95771	1.5
80.02547	1.5
81.03328	2.2
83.01260	1.9
83.04896	6.1
84.02040	1.1
85.02811	4.0
87.00743	3.3
89.02316	12.2
93.03355	0.7
95.01263	1.9
95.04894	1.3
96.95885	0.9
97.02830	1.9
99.00739	1.2
101.01694	0.8
101.02323	10.6
109.06461	0.8
112.98680	0.6
113.02333	7.0
115.00224	0.7
119.03398	3.4
121.02831	0.5
123.00727	0.6
125.02326	5.9
125.09598	0.8
131.03429	0.6
135.08076	1.0
141.01682	0.7
143.03464	2.1
152.99550	0.7
158.06200	0.4
161.04465	3.4
163.11174	4.8
165.12837	2.6
167.10654	1.4
169.01315	1.5
171.10150	0.6
175.02419	0.9
177.12697	0.5
179.05502	4.6
179.10696	1.1
179.14359	1.5
181.12262	1.0
191.10696	1.5
195.13821	5.3
199.06287	0.4
205.12302	6.0
206.12752	0.5
209.11768	100.0
210.12141	4.7
211.13345	0.9
221.06589	1.5
223.13345	55.7
224.13637	2.7
225.11295	0.6
227.12836	14.4
228.13116	0.5
235.08189	3.9
241.01108	0.9
251.12885	0.6
253.09224	0.9
255.23395	1.2
261.14999	0.7
263.07599	0.5
268.88464	0.4
287.07657	1.1
289.59924	0.5
300.99921	0.5
305.08701	1.7
323.10004	0.9
379.12479	4.6
397.13498	35.1
398.13971	1.7
415.14590	10.6
589.24506	0.8
599.21606	0.7
603.26581	1.5
607.26129	1.3
621.27545	1.8
831.50189	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	831.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	58.1
61.98705	5.1
65.03867	2.6
69.03339	4.7
71.01254	49.9
72.99194	6.2
73.02817	8.1
75.00766	3.6
78.95782	9.2
81.03328	8.5
83.01270	5.7
83.04902	10.5
85.02809	11.8
85.71479	2.5
87.00740	12.3
88.98652	3.0
89.02316	30.1
93.03363	3.4
95.01263	5.5
95.04893	6.4
96.95898	3.6
97.02836	21.7
97.06468	6.3
98.19776	7.3
99.00777	4.6
101.02335	25.5
107.01305	3.1
107.04894	2.6
108.02082	4.5
109.06474	42.0
113.02347	16.5
119.03381	6.2
121.02840	2.9
121.06548	3.8
123.00734	3.0
123.04401	4.0
123.08049	5.2
125.02328	15.4
125.09612	29.5
135.04413	2.7
135.08051	6.5
136.05231	6.6
142.02580	3.1
143.03427	2.9
151.07527	2.3
152.99570	2.6
153.09045	2.4
153.53389	2.4
161.04482	3.8
161.09651	3.8
163.11198	23.1
169.01314	10.0
171.10161	5.7
175.11194	4.5
179.05577	8.0
181.12273	7.9
185.11768	4.1
187.09633	14.4
191.10724	4.1
197.11752	3.5
201.12761	2.9
203.10710	3.5
205.08618	3.3
207.10214	89.3
208.10577	6.3
209.11752	38.6
211.13390	8.1
217.12352	2.9
219.10216	4.7
219.13808	3.5
221.06619	9.0
223.09712	5.8
223.13359	5.5
225.11284	46.3
225.13327	4.6
235.08170	3.3
235.13341	3.2
237.11266	6.5
245.11732	4.6
255.23349	5.9
263.12784	12.5
277.21750	5.1
283.15652	2.3
289.02316	3.0
301.00034	5.4
307.19070	6.0
325.20493	7.6
327.19913	3.0
335.20288	3.2
353.21292	2.9
369.20618	5.7
371.18427	5.2
379.19034	3.7
387.21786	3.7
389.19705	9.3
397.13809	15.5
397.20114	9.0
405.22714	4.2
415.15149	5.2
415.21252	20.5
433.22421	12.9
605.24542	3.6
623.25659	7.6
759.34851	2.7
767.25592	4.2
769.32990	19.2
770.33606	3.4
785.35870	9.2
787.34082	37.7
788.34546	6.4
795.34473	13.4
813.35492	100.0
814.35718	18.9
831.36340	47.4
831.50073	5.5
832.36823	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	831.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.4
64.95722	0.8
69.57967	2.5
69.58389	2.7
69.90743	0.7
71.01263	2.1
72.99187	0.9
77.18235	0.7
80.56506	0.8
85.02816	1.7
87.00732	0.8
95.01271	2.1
107.01281	5.7
111.00764	1.6
113.02343	1.1
123.00783	12.0
125.02341	18.1
126.02677	1.0
127.00272	0.9
133.54318	0.7
139.00272	2.1
140.01062	1.8
141.01822	1.4
149.01183	0.7
149.02431	0.8
151.00291	9.0
155.06964	1.6
168.00572	2.7
169.01352	24.1
300.99921	1.6
307.08234	19.1
308.08655	0.9
336.84772	0.7
370.61694	0.8
423.28992	0.8
431.98672	0.8
523.21844	100.0
524.22241	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	829.496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	8.2
61.98687	1.2
64.90306	0.9
71.01250	4.0
75.00767	5.0
76.75974	1.0
77.22086	0.9
78.95782	2.6
83.01252	2.3
85.02850	1.1
87.00733	1.1
88.98671	2.1
89.02328	2.2
96.95898	1.6
101.02320	3.3
105.01797	3.7
113.02317	1.7
118.78600	1.0
125.09587	1.7
127.11256	1.2
145.04987	1.1
161.04489	1.7
171.10165	3.1
183.77333	1.0
203.56953	1.1
209.11816	2.6
226.12048	1.0
229.58772	1.2
235.08252	9.1
253.09300	9.8
273.17072	62.6
274.17313	4.5
277.21719	100.0
278.22110	6.6
321.71329	1.1
394.18652	1.1
533.38422	2.1
694.82715	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	8.6
60.99146	0.9
61.98713	1.2
69.43696	0.8
71.01256	2.5
72.99177	2.3
74.47738	1.0
75.00740	1.5
79.73180	0.9
83.01260	3.1
83.04916	1.1
85.32736	0.9
87.00754	1.8
88.98673	7.2
89.02345	2.7
90.61134	0.8
98.20586	1.6
101.02391	1.3
105.01806	4.7
109.27702	1.0
109.93038	0.9
125.09595	3.1
143.03429	1.0
161.04414	1.2
163.11136	1.3
171.10179	3.4
191.10715	2.3
209.11736	4.0
218.75038	0.9
223.13409	1.3
226.12022	1.3
235.08174	1.4
241.14458	1.7
253.09283	9.3
273.17078	100.0
274.17392	5.5
277.21732	64.2
278.22049	5.9
509.26266	2.5
533.38409	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	829.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86654	0.4
58.00474	1.2
59.01252	18.1
60.99179	2.5
61.98700	0.5
68.83221	0.4
69.03333	1.2
69.99515	2.5
71.01254	18.7
72.99184	1.2
73.02819	3.4
75.00770	0.9
78.95776	0.6
81.03329	0.7
83.01274	2.0
83.04897	0.6
85.02821	4.6
87.00751	6.2
88.98679	10.9
89.02317	12.7
91.03852	0.5
95.01269	1.8
96.95889	0.9
97.02839	4.0
98.20509	0.9
99.00745	1.2
101.02324	13.6
109.02857	0.9
111.04409	1.0
113.02333	8.2
119.03387	4.2
125.02354	9.0
125.09609	0.8
127.11201	2.0
131.03407	0.9
133.05022	0.5
139.03905	0.6
143.03403	3.3
153.09119	0.7
161.04422	2.8
169.01274	1.5
171.10185	100.0
172.10515	3.5
179.05573	3.1
199.06085	0.8
217.07216	1.0
221.06654	1.2
235.08179	6.6
253.09328	1.0
259.08371	0.6
277.21716	68.3
278.21964	4.2
287.07870	1.5
291.23340	0.5
299.98804	0.5
300.99899	1.0
305.08780	2.3
323.09982	0.9
379.12476	8.3
397.13489	36.8
398.13562	2.5
415.14548	8.5
727.06848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	0.6
59.01252	16.5
60.99166	1.3
69.03329	1.1
71.01255	17.0
72.99166	1.9
73.02818	2.8
75.00743	0.7
76.65774	0.4
78.95780	0.8
81.03323	1.1
82.00027	0.3
83.01256	2.2
83.04902	0.4
85.02817	5.5
85.74094	0.4
87.00746	5.1
88.98682	6.9
89.02321	12.7
91.03899	0.5
95.01254	1.3
97.02833	2.3
99.00772	1.4
101.02320	12.7
109.30690	0.3
111.00747	0.4
111.04419	0.5
113.02337	7.7
118.34032	0.4
119.03381	3.3
123.00712	0.4
124.01509	0.4
125.02341	7.6
125.09617	1.3
127.11162	2.0
131.03407	0.6
139.03908	0.7
141.01839	0.5
143.03391	2.8
149.04514	0.5
153.09090	0.6
161.04485	3.1
162.03065	0.3
163.03706	0.4
169.01352	0.9
169.04938	0.5
171.10182	100.0
172.10544	3.5
179.05519	3.3
199.05989	0.9
209.11755	0.9
217.07080	1.0
221.06647	1.1
229.68677	0.4
235.08173	5.1
245.06705	0.4
253.09271	1.3
259.08075	0.5
263.07635	0.4
266.41046	0.4
277.21719	54.3
278.22086	4.2
287.07693	1.9
300.99969	0.5
301.09357	0.5
305.08725	2.5
323.09979	0.5
323.51996	0.4
379.12457	8.5
380.12930	0.6
393.92776	0.3
397.13507	32.7
398.13742	2.1
415.14532	7.8
416.14642	0.4
508.02271	0.4
551.23346	0.7
569.24524	0.8
595.94598	0.3
649.46112	0.4
786.74493	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99179	19.8
66.15132	0.5
71.01251	2.4
71.56698	1.2
71.57081	0.8
72.99184	8.4
78.95788	1.1
87.00780	1.3
88.00275	1.1
88.98679	100.0
89.02318	4.2
89.98969	0.7
90.19544	0.7
105.01838	1.3
111.96031	0.6
116.92744	3.9
149.57329	0.6
171.10141	0.8
204.76231	0.6
277.21649	2.4
407.73340	0.8
542.28412	0.7
583.70453	0.7
688.74146	0.7
802.52716	0.7
842.18402	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99178	17.4
68.59252	0.7
69.48870	1.4
69.49283	4.4
71.01248	2.1
72.99174	5.4
75.00757	0.7
78.95785	1.0
87.00745	1.4
88.00268	2.0
88.98678	100.0
89.02319	5.0
105.01820	2.3
116.92738	1.9
153.04358	0.6
169.01346	0.8
207.10153	1.1
209.11794	1.9
225.11374	0.8
277.21613	1.5
537.29248	0.9
850.26300	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96103	1.5
69.86777	4.4
71.01257	10.7
73.02810	2.2
75.68579	0.7
77.42540	0.7
78.98466	7.5
79.95605	15.7
80.96394	100.0
81.03326	1.1
85.02816	4.7
87.00743	3.0
94.97381	1.7
94.97965	24.0
96.95879	2.2
97.02798	2.3
98.20493	1.0
99.00779	1.1
101.02306	3.8
106.98017	4.0
122.97502	4.5
125.02332	3.8
127.03897	1.6
133.71176	0.8
134.97461	8.6
136.99008	2.7
148.99059	9.5
152.98550	8.6
155.30222	0.7
164.98544	18.7
188.98502	1.1
206.99651	3.8
209.11659	1.6
225.00716	28.2
226.00990	1.5
283.26450	2.3
473.15463	0.9
502.94312	0.8
541.19623	3.1
565.30054	1.6
705.82019	1.0
793.45654	1.1
820.47467	1.0
825.46722	99.9
826.47260	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	825.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	6.9
59.68748	1.0
62.07130	1.2
63.02260	2.3
65.00187	5.3
67.01749	3.0
68.99699	2.0
69.03318	1.4
71.01253	7.3
72.99172	4.7
75.00755	1.9
79.01756	1.2
83.01264	5.1
83.04894	4.1
87.00758	2.9
89.02322	2.2
93.03284	1.4
95.01248	4.6
96.36198	1.3
96.95885	3.9
98.78265	1.3
99.00740	1.6
101.02300	2.0
107.01265	7.9
109.99943	2.9
111.00771	25.0
113.02331	1.4
115.00192	1.6
116.92731	5.6
121.02840	3.7
123.00780	24.8
124.01567	11.9
125.01561	1.6
125.02349	19.4
127.00264	11.7
133.01318	3.7
134.89372	1.7
135.02917	1.4
136.98698	14.6
138.03168	1.4
139.00276	26.1
140.01056	38.8
141.01796	1.4
150.03082	2.6
151.00273	19.2
154.99706	3.5
161.02296	2.0
162.03148	2.1
163.00317	1.8
163.11200	3.6
164.01009	2.7
164.04581	1.6
165.05457	3.9
166.02507	1.6
166.99815	10.4
168.00571	25.8
169.01338	16.9
174.03178	1.3
175.03931	1.4
177.05554	2.1
178.99817	6.3
189.01895	1.4
191.03273	2.6
192.04199	5.7
193.13211	1.2
203.03482	1.4
205.04945	1.5
209.11772	29.4
210.12122	2.5
211.13271	2.0
217.01222	1.3
227.12715	2.5
245.15474	1.5
253.09143	2.1
268.33356	1.2
271.13318	2.2
273.00436	1.3
273.03714	1.4
273.11322	2.3
273.15015	2.0
289.14444	4.4
291.12521	1.6
299.12912	7.1
299.99115	1.9
300.02484	1.5
300.99911	5.2
301.03482	43.4
301.06973	2.7
302.03842	4.5
315.22345	1.1
317.10559	2.3
317.13925	17.1
318.14343	1.5
335.15140	2.0
361.12979	10.3
480.76276	1.3
523.17957	2.4
553.22845	3.2
571.23840	7.5
615.22815	17.2
673.39148	1.7
713.08972	1.3
781.35986	2.7
825.35535	100.0
826.35718	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	825.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08668	0.8
59.01241	2.4
61.98688	1.3
65.00185	0.8
67.01757	1.3
69.03322	2.0
71.01233	3.4
72.05251	1.0
73.02813	1.4
73.82692	0.8
81.03306	1.4
83.01263	1.5
85.02823	1.4
87.00750	0.8
89.02294	1.1
95.01280	4.7
95.29826	0.9
96.95927	0.9
97.02824	2.7
98.20498	2.0
98.95419	0.9
101.02313	1.7
107.01276	9.1
109.02806	1.0
111.00746	2.8
113.02351	1.4
113.32108	1.2
116.92739	1.5
123.00776	13.1
124.01569	2.5
125.02339	75.9
125.39653	0.9
126.02659	1.8
139.00252	3.7
140.01045	2.8
145.02821	1.3
149.02357	1.1
150.03098	1.8
151.00266	2.8
151.03912	1.1
165.01785	1.6
165.05473	1.8
166.02596	1.2
166.99774	2.6
167.03439	1.0
168.00580	6.0
169.01343	100.0
170.01660	3.7
179.03413	1.3
179.18816	0.9
189.01758	1.1
191.03401	1.1
193.01353	4.1
193.04909	1.1
195.06573	1.0
201.01904	1.2
203.03595	1.1
211.02419	15.9
235.02510	1.5
237.04071	1.4
241.03493	3.8
271.04593	9.0
295.04538	3.3
300.99924	2.3
313.05600	12.1
465.06815	12.2
483.07751	4.0
624.24823	1.0
629.22839	1.1
635.08948	7.7
636.09436	1.5
655.20276	3.4
673.21509	12.1
673.33002	1.8
674.21820	1.5
811.04352	1.0
825.22424	36.6
825.37531	2.0
826.22626	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	825.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.7
71.01257	0.8
71.97861	0.4
81.89754	0.3
93.20947	0.3
95.01245	0.5
116.30985	0.4
117.03339	0.7
123.00768	1.1
125.02323	1.7
145.02858	1.0
148.73062	0.4
151.00375	0.7
157.02808	0.5
162.03145	0.7
163.00317	0.5
163.03870	0.4
169.01323	2.6
173.02382	1.4
177.05469	0.6
185.02301	2.0
201.01855	1.9
211.02405	0.5
217.01250	0.7
226.99840	0.6
229.01343	3.3
229.59125	0.5
240.00633	0.4
245.00899	1.2
257.00931	1.6
271.04620	1.1
273.00241	0.5
283.99625	3.1
299.99167	2.6
300.99902	100.0
302.00189	5.5
302.03317	0.5
380.17139	0.4
523.21991	2.5
673.21356	0.8
673.33295	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00488	0.4
59.01250	7.5
67.59756	0.4
69.03334	1.1
71.01251	6.8
71.04852	0.4
72.99163	0.7
73.02817	2.2
78.65183	0.4
80.96373	0.4
82.95353	0.5
83.01247	1.5
83.04868	0.7
85.02825	7.0
87.00764	2.5
89.02313	4.8
89.70139	0.4
95.01270	0.8
95.04891	0.7
96.95900	2.1
97.02834	1.2
97.06483	2.3
99.04340	0.6
101.02322	6.7
113.02317	3.6
115.03937	0.6
119.03395	1.7
123.08064	0.5
125.02325	0.4
125.09614	0.6
127.07515	0.5
127.11192	1.1
133.04971	1.5
137.09613	1.3
143.03400	1.2
145.04956	1.5
149.68184	0.4
155.10674	1.5
157.04988	0.7
161.04449	4.3
165.12733	0.9
171.10178	15.7
172.10487	0.7
179.05472	1.3
183.13890	2.0
185.11758	1.3
187.06076	0.4
193.12291	0.9
197.11703	0.7
199.13280	0.4
209.11800	1.5
211.13341	13.5
212.13817	0.6
221.11784	1.9
229.14424	8.7
229.42596	0.6
235.08186	16.2
236.08517	0.8
239.12874	0.6
247.20604	0.5
253.09262	26.4
254.09634	1.3
275.20236	0.8
277.21716	100.0
278.22064	8.0
291.19644	4.8
293.21411	0.6
309.20703	14.1
310.20996	1.3
311.22470	0.7
327.21756	77.4
328.22128	5.8
513.30682	0.5
545.29376	2.3
563.30438	2.6
587.43060	1.3
848.11609	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	12.7
60.14309	6.5
61.98696	19.7
70.30656	17.6
70.31055	12.4
71.01249	14.7
78.95750	8.5
96.95880	11.2
101.02336	10.6
113.15407	6.9
116.92712	21.5
125.02338	17.3
131.03413	9.9
169.01286	26.6
171.10306	10.6
193.48740	8.2
197.11754	17.3
207.10240	16.9
209.11780	100.0
211.13370	10.6
225.11307	14.2
227.12863	25.3
229.31816	9.8
235.08226	9.7
253.09219	23.5
291.19696	16.5
300.99799	8.7
307.18997	9.1
309.20682	57.2
445.20837	13.9
522.91180	8.8
598.46484	7.7
823.42212	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	8.4
59.76906	2.4
61.98693	6.7
71.01252	25.5
71.36890	6.1
73.76595	2.5
78.95811	3.8
80.11788	2.8
80.91525	2.8
82.95288	62.8
82.95765	4.6
83.02397	5.8
83.04916	3.1
85.01649	2.8
89.02310	3.0
91.89439	2.4
101.02307	3.3
125.02325	13.1
163.11205	7.3
169.01337	11.1
171.10201	8.3
174.82518	2.8
191.50761	3.0
199.09746	7.0
201.11243	3.7
207.10237	9.5
209.11766	100.0
210.12119	5.4
211.13419	5.9
211.99573	2.8
225.11278	12.1
227.12807	19.8
235.08138	4.0
253.09248	11.6
273.00140	2.9
293.21463	3.7
300.99924	4.2
461.20288	3.8
653.29633	3.3
805.07855	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	823.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45699	8.4
59.01251	17.4
61.98705	20.2
68.04545	8.9
71.01241	9.2
96.95899	11.4
99.12350	11.3
116.92738	19.1
123.00799	10.4
124.10709	8.7
125.02355	16.1
169.01329	34.9
171.10173	12.1
197.11821	14.2
207.10240	12.3
209.11752	100.0
211.13438	12.1
225.11249	11.3
227.12816	22.2
229.64539	14.4
253.09409	18.0
291.19708	21.2
301.00024	14.7
307.19089	16.0
309.20752	63.8
480.33487	10.3
605.19861	9.8
624.47125	10.6
823.41943	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	27.4
61.98700	10.4
69.03349	4.7
70.91800	5.8
70.92115	5.5
71.01252	91.9
73.02830	4.6
74.46553	3.6
77.35355	3.8
78.95766	6.4
81.03307	6.4
83.04892	9.1
83.33521	3.4
85.02827	10.5
87.00766	7.1
89.02299	8.4
90.30865	3.5
95.04873	4.5
96.44641	4.2
96.95884	25.4
97.02803	18.7
97.06483	8.9
99.00790	7.6
101.02331	21.1
101.14016	3.8
109.02834	4.4
109.06474	46.4
111.04404	7.0
111.08034	6.5
113.02323	10.6
121.97857	4.4
123.04440	7.5
123.08062	5.5
125.02314	11.7
125.09601	23.1
135.08060	7.3
137.09621	6.8
161.04460	6.9
161.09663	6.5
163.11209	31.9
165.12796	10.4
167.10815	4.5
169.01331	14.6
169.12187	5.2
171.10179	30.3
176.01019	3.6
177.09131	5.8
179.10684	14.2
181.12337	11.0
185.11748	14.7
187.09660	8.6
189.09102	4.9
190.30975	3.4
191.14244	5.6
193.12303	4.1
195.10179	5.9
197.11748	21.2
199.09644	12.6
201.11186	7.3
205.08655	27.1
207.08371	5.4
207.10216	100.0
207.76271	3.4
208.10558	6.0
209.11743	63.7
209.13551	6.1
211.13292	8.4
213.11209	14.0
217.08304	7.1
221.11707	5.5
223.09756	48.9
225.11296	58.6
227.12839	10.1
235.09579	7.9
241.10770	5.5
245.19060	10.6
247.13506	5.5
247.20566	6.4
253.09233	26.2
289.18149	32.5
291.19705	38.2
300.99951	8.6
307.19162	16.0
309.20712	34.2
459.18597	4.2
461.20239	12.4
565.42224	4.5
642.38141	4.1
677.10840	4.3
724.02338	4.5
823.40546	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	823.085
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86217	20.2
95.01255	38.8
107.01262	6.6
111.00754	38.8
119.04884	7.3
123.00790	48.4
125.02375	40.7
137.02335	7.2
139.00281	54.1
140.01044	6.2
141.01846	52.4
145.02843	9.1
151.00278	7.3
153.01860	8.5
161.02414	11.3
163.00267	24.4
163.03920	13.7
166.99800	93.3
169.01329	29.5
173.02327	16.0
182.99281	21.3
183.42513	6.9
184.00038	15.8
185.00870	76.7
189.01854	9.6
190.99767	7.5
201.01883	15.0
206.99251	12.3
209.00807	22.3
209.26129	6.6
217.01353	14.8
225.00340	16.9
229.01393	16.5
245.00879	25.4
247.02492	7.5
270.98648	11.1
273.00397	21.7
291.01331	15.5
298.98273	9.8
299.98999	22.5
300.99841	100.0
316.99280	56.4
326.56354	7.5
357.50967	7.0
427.60959	6.9
445.03793	15.6
461.03659	14.7
463.05292	62.8
475.04996	7.8
519.03699	7.1
615.76007	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	821.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.3
59.01255	8.5
61.98703	19.7
69.52189	4.8
69.52597	1.8
71.01251	10.3
73.02809	2.0
78.95785	6.5
79.95602	4.4
80.91557	5.8
80.96394	17.6
82.95960	5.6
82.96771	0.8
83.04904	1.0
84.45292	0.9
85.02816	1.6
87.00739	2.0
87.21181	0.7
89.02314	5.6
94.97949	3.0
95.01248	1.1
96.95894	14.3
96.96867	2.0
96.97495	1.0
97.02787	0.9
98.25590	0.8
98.79245	0.9
99.00801	1.1
101.02303	6.9
109.06463	1.2
111.08031	9.7
113.02335	4.3
119.03382	1.5
125.02378	0.9
125.09647	0.9
127.07524	1.0
129.69496	1.0
141.43710	0.9
152.98479	1.3
153.12743	1.0
161.04475	2.7
164.98502	1.2
167.10716	1.3
169.12262	4.3
171.10161	2.6
181.12256	1.4
195.13873	8.1
196.14487	0.9
197.11768	46.2
198.12082	2.7
199.13312	3.2
205.12257	0.9
208.99081	1.0
209.11760	3.4
210.12227	0.9
211.13350	7.7
223.13318	5.5
225.00818	2.0
227.12790	2.1
235.08205	2.6
241.14389	1.7
247.09348	1.2
253.09250	35.7
254.09764	1.7
263.20074	4.1
265.10526	1.3
265.18085	1.3
275.20154	7.6
277.21735	3.9
279.23318	14.1
280.23642	8.6
291.19684	18.6
292.19937	1.6
293.21222	100.0
294.21518	8.0
300.99713	1.0
309.20700	75.0
310.21146	5.7
545.29358	1.9
585.41565	3.1
729.45471	3.2
747.46448	3.0
821.42273	22.8
822.42554	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	821.506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.3
57.11588	0.6
58.00466	1.4
59.01247	6.7
61.98705	34.1
63.68666	0.7
69.03312	1.8
70.52602	0.7
71.01254	7.1
73.02805	1.6
73.50891	0.8
78.95773	2.2
79.95603	1.6
80.91566	3.7
80.96386	8.2
81.03334	0.8
82.95968	3.1
83.04900	0.8
85.02811	1.7
87.00761	1.3
89.02316	4.8
94.20599	0.8
94.97955	1.8
96.95900	8.7
96.96854	1.8
96.97527	1.0
97.02833	1.6
99.50697	0.7
101.02325	5.6
106.97999	0.9
109.06470	0.8
111.08038	8.9
113.02316	2.7
119.03381	1.9
125.02312	1.7
148.99014	1.0
161.04478	2.7
164.98578	0.9
169.01363	1.0
169.12186	3.4
171.10179	4.4
179.05542	1.0
179.14317	1.0
181.07039	0.9
181.12198	0.9
183.13811	0.9
191.35001	0.7
195.13838	7.6
197.11768	44.8
198.12093	2.2
199.13344	1.5
207.83017	0.8
209.11757	2.0
211.13338	8.1
223.13380	6.2
227.12733	2.1
228.13501	0.9
229.69429	1.1
235.08167	2.4
238.59657	0.8
247.09569	1.7
253.09241	30.4
254.09509	1.6
256.13165	0.9
263.20139	2.3
265.18188	1.3
273.18417	1.2
275.20163	9.2
277.21698	4.7
279.23251	2.9
280.23581	1.5
291.19662	24.1
292.19867	1.6
293.21216	100.0
294.21567	8.2
300.99780	1.2
309.20715	58.4
310.20987	4.4
369.19116	0.8
545.29700	1.3
585.41858	2.9
729.44531	0.9
803.38593	1.6
821.42310	12.3
822.42480	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	821.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93127	0.2
59.01249	0.3
61.98703	0.4
71.01261	0.3
71.48796	0.3
71.49142	0.5
78.95782	5.6
79.95619	3.8
80.96394	1.7
82.95950	0.3
92.05415	0.2
94.97964	1.0
95.97497	0.3
96.95895	100.0
96.96784	5.4
97.95831	0.3
98.02362	0.5
101.02321	0.3
101.91533	0.2
123.00675	0.2
161.04277	0.3
197.11856	0.5
209.11761	1.2
211.13332	0.5
225.00772	0.3
241.14459	0.3
253.09227	1.0
277.21805	1.5
279.23312	0.5
289.18173	0.4
291.19656	0.8
292.20175	0.5
293.21140	0.9
309.20721	0.9
336.95416	0.3
745.80914	0.3
820.42676	0.4
821.41833	1.4
827.83160	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	29.8
60.88249	9.6
61.98703	100.0
64.46003	9.3
67.01761	8.9
69.25276	10.6
71.01255	22.2
75.33153	9.2
78.95763	49.4
80.96409	33.5
85.02757	10.4
96.95901	15.8
101.02349	10.0
107.01267	12.7
125.02332	42.1
131.43500	9.3
135.56989	9.6
145.05060	13.0
169.01320	55.4
170.14005	9.7
171.10072	13.3
207.10266	11.4
209.11813	69.6
217.81409	10.0
223.13257	10.1
227.12900	17.6
267.15857	10.1
293.21313	21.8
300.99942	16.2
307.19193	11.2
335.34286	12.7
447.72870	11.5
821.40143	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01898	1.1
57.03316	1.8
58.00479	1.2
59.01253	24.9
61.98691	1.2
63.92787	1.0
69.03319	3.6
71.01257	20.2
71.04900	1.5
71.13424	2.3
71.13754	1.4
72.01585	1.4
72.99197	3.3
73.02802	3.8
75.00751	1.9
81.03365	1.7
83.01268	2.4
83.04916	7.8
85.02828	5.6
87.00735	5.5
89.02320	16.0
95.01261	4.4
95.04883	1.4
96.95898	5.3
97.02840	2.6
97.06457	5.0
99.00773	1.6
101.02341	15.6
107.01271	5.4
113.02343	6.9
114.93288	4.8
115.00266	1.4
115.13877	1.2
116.92715	1.7
117.44477	1.3
119.03396	3.7
121.02878	1.7
122.54679	1.3
123.00784	6.3
125.02351	20.5
126.02631	1.5
129.01868	2.4
135.08000	1.3
143.03445	2.4
147.02905	3.0
147.06538	2.2
150.06703	1.5
151.11215	14.3
161.04498	1.9
163.11153	2.8
165.01855	1.6
165.05486	1.3
165.12834	2.3
166.99806	3.6
168.00450	1.6
169.01337	23.0
169.12267	70.9
170.12555	1.5
179.05511	3.1
192.83914	1.2
209.11777	70.1
210.12144	7.7
211.13448	11.0
212.13658	4.5
213.11304	11.8
221.06609	4.3
227.12802	8.4
235.08302	2.0
273.00046	1.4
275.02014	3.3
299.99023	3.2
301.00006	8.9
301.03220	2.6
302.00189	2.7
397.13379	9.6
398.13931	2.1
415.14545	2.4
433.27634	1.4
593.24622	2.7
611.25720	3.7
803.37274	3.7
821.38300	100.0
822.38477	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	820.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.3
61.98703	100.0
63.50891	0.2
64.68828	0.2
66.54603	0.2
71.01249	0.7
71.92831	0.2
72.83401	0.2
73.26855	0.2
78.91751	0.7
78.95778	0.6
79.95609	0.7
80.05699	0.3
80.91579	0.5
80.96379	3.2
85.02824	0.3
94.97969	0.7
96.71331	0.3
96.95894	2.1
101.02324	0.3
125.02319	0.3
148.99028	0.3
152.99536	0.3
164.98494	0.3
169.01358	0.3
209.11838	0.4
211.13475	0.3
225.00601	0.5
264.69531	0.2
265.10660	0.5
277.21774	0.5
284.95816	0.3
291.19678	0.3
293.21469	0.5
300.99918	0.7
370.68192	0.2
452.38620	0.2
731.37097	0.3
761.41766	0.2
820.42261	2.1
821.40906	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.1
61.98703	1.5
71.01250	1.9
78.95775	8.5
78.98505	0.6
79.95609	5.2
80.96394	6.7
82.95962	0.7
83.01270	0.6
94.97965	4.8
95.97475	1.3
96.00779	0.5
96.95890	100.0
96.96780	5.4
106.97948	0.6
111.08041	0.5
122.97477	0.7
124.99992	0.6
125.09666	0.5
125.16256	0.4
134.97446	0.8
136.98897	0.5
152.99535	0.7
163.11201	0.9
164.98470	1.1
165.12836	0.7
171.10291	0.8
195.14030	0.6
197.11754	1.1
209.11772	6.3
211.13313	0.7
223.13330	1.2
225.00658	1.5
225.11038	0.5
227.12915	1.0
241.14487	4.3
242.76262	0.5
253.09210	1.7
277.21732	1.7
279.23343	5.2
280.23740	0.5
289.18188	1.2
290.18427	0.5
291.19687	2.7
292.19974	2.0
293.21356	2.7
294.21536	1.0
307.19128	0.9
309.20740	1.9
350.54221	0.5
669.37396	0.5
728.44989	2.9
729.45074	0.9
746.45819	2.5
762.73621	0.4
820.42493	7.3
821.41986	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	819.49
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	6.4
61.98704	8.1
71.01242	5.0
71.56449	1.4
75.00723	1.1
78.95759	2.4
79.13078	1.0
79.95632	1.1
83.04922	1.2
85.02844	1.4
87.00745	1.6
89.02321	2.0
94.97959	1.7
96.95887	18.8
97.02816	1.5
97.06467	2.3
100.17228	1.0
101.02324	5.0
109.06487	5.9
113.02308	1.3
119.28728	0.9
121.02828	1.6
125.09571	1.7
133.06349	1.1
135.08086	2.4
145.04994	1.8
161.04431	2.1
163.11160	2.5
171.10207	2.8
185.11719	1.6
207.10202	9.2
209.11739	2.4
211.13309	2.6
225.11281	3.5
235.08238	5.2
253.09256	9.4
261.14966	1.1
269.15393	2.0
277.18466	3.8
277.21710	100.0
278.22064	8.1
287.16537	19.4
291.19479	1.2
305.17563	27.3
378.08057	1.0
523.25476	1.7
721.41949	4.3
801.48578	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	819.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	15.5
59.40031	1.3
61.98707	94.5
62.98425	2.1
69.03382	1.3
69.86756	3.6
69.87158	5.9
71.01246	9.8
73.02824	1.9
78.95789	2.7
80.96367	1.4
83.04897	2.0
85.02833	3.1
87.00797	2.0
89.02294	7.8
94.97947	2.8
96.95894	23.0
97.02832	2.9
97.06477	9.7
101.02325	7.8
107.04869	1.7
109.06474	15.3
111.00703	1.5
113.02322	4.8
119.03366	1.9
121.02887	2.0
121.06470	1.4
125.09599	3.7
135.08046	6.7
159.08017	2.9
161.04510	2.2
161.09676	3.0
163.11194	8.7
171.10152	8.0
181.12299	2.1
185.11740	5.8
207.10194	31.8
209.11775	5.3
211.13332	3.6
217.16023	4.7
225.11238	9.2
235.08174	3.1
243.17523	1.9
253.09270	21.0
261.14917	2.6
261.18549	1.7
269.15662	2.1
275.16562	4.6
277.18213	10.0
277.21725	100.0
278.22028	5.1
279.16086	2.8
279.19162	1.5
287.16553	57.1
288.16891	2.2
289.18225	2.1
291.19482	2.0
293.21173	5.0
305.17599	77.3
306.17908	4.8
307.19220	1.9
443.19077	1.9
461.20465	1.7
523.25165	4.0
541.26605	4.9
684.93140	1.6
721.41620	8.5
801.48047	10.4
819.48627	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	819.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	4.3
61.98704	91.4
62.98408	1.7
63.96106	1.9
70.60980	1.4
70.61332	4.6
71.01257	14.0
71.60217	1.4
72.99187	2.3
73.02819	2.8
77.29223	1.4
77.42542	1.1
78.95764	2.1
78.98475	6.7
79.95607	16.4
80.96393	100.0
83.04897	1.7
85.02826	3.1
87.00745	3.7
89.02348	1.8
94.92384	2.9
94.97962	34.0
96.95887	3.4
96.96854	1.7
101.02318	4.9
106.97948	3.6
109.06409	1.4
111.08022	4.4
122.97437	4.1
125.02332	4.5
129.55341	1.3
134.97461	5.1
148.99030	8.2
152.98544	4.9
164.98552	13.5
171.10173	1.4
195.14005	1.6
197.11784	8.5
198.12024	1.5
206.99669	2.2
209.11758	6.9
211.13364	5.2
225.00710	20.1
227.12741	1.9
235.08269	1.9
245.19215	1.8
253.09303	7.8
277.21686	6.5
289.18079	4.3
291.19684	34.7
293.21176	8.7
305.17584	1.5
307.19199	3.0
309.20685	16.7
397.13272	1.6
404.27637	1.4
527.29553	1.5
541.19507	1.8
559.25793	2.0
819.42053	97.3
820.42395	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	819.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.4
58.00455	0.8
58.43789	0.4
59.01250	16.4
59.85760	0.3
69.03322	1.2
70.44624	1.2
71.01254	14.0
72.99180	0.7
73.02811	2.4
75.00726	0.4
77.77596	0.4
80.02547	1.5
81.03333	1.3
83.01253	1.9
83.04900	5.8
84.02038	1.1
85.02827	3.3
87.00750	3.2
89.02319	12.6
90.02617	0.3
95.01250	1.0
95.04876	0.5
96.95858	0.5
97.02818	2.3
97.06473	0.4
99.00746	0.8
101.02325	10.5
105.69475	0.4
109.02850	0.4
111.04391	0.4
113.02327	6.6
119.03391	2.5
124.57676	0.3
125.02336	5.4
125.05990	0.4
131.03400	0.8
133.04979	0.5
135.08041	0.8
139.03894	0.4
143.03374	1.4
151.19324	0.3
160.06113	0.4
161.04460	2.3
163.11197	4.4
165.12735	2.3
167.14339	0.4
169.01427	0.4
171.10211	0.4
179.05507	3.1
181.12257	0.9
183.13800	5.4
191.10780	0.6
193.12242	1.4
199.06009	0.6
206.38091	0.4
209.11768	100.0
209.54932	0.3
210.10297	0.5
210.12131	5.5
211.13332	70.4
212.13664	3.0
217.07109	0.7
221.06628	1.6
227.12822	12.7
228.13168	0.9
235.08180	4.7
235.13490	0.3
249.14848	0.8
253.09395	0.8
263.07571	0.5
263.82837	0.3
287.07745	1.5
305.08777	1.3
323.09943	0.9
324.36472	0.3
379.12460	5.0
380.12943	0.4
397.13480	31.1
398.13904	1.9
403.25113	0.8
415.14575	7.5
416.14755	0.6
421.25699	0.5
455.52267	0.3
591.26740	0.6
607.26038	1.4
609.27838	1.4
719.30933	0.4
775.09955	0.4
783.37616	0.5
801.38104	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.1
59.01252	20.2
69.03317	1.5
71.01254	16.7
72.99169	1.7
73.02822	2.6
80.02544	1.6
81.03325	1.8
83.01256	1.7
83.04899	5.0
84.02030	0.7
85.02829	4.7
87.00745	4.0
89.02318	13.5
95.01274	1.6
95.04888	1.2
96.95884	0.6
97.02829	2.2
99.00781	0.9
101.02319	11.9
102.02617	0.5
108.70132	0.4
111.08060	0.5
113.02337	6.8
115.03888	0.5
119.03387	4.0
125.02355	5.9
125.05941	1.1
126.02696	0.5
130.48416	0.4
131.03401	0.7
133.05034	0.5
135.08041	1.0
137.89400	0.4
139.03871	0.8
141.00539	0.4
143.03432	2.9
145.04922	0.4
149.04498	0.5
157.04881	0.6
161.04456	2.7
163.11147	3.5
165.12733	2.5
167.14400	0.7
171.10184	0.7
179.05525	3.8
181.12305	0.8
183.13841	7.0
191.10664	0.8
193.12297	2.2
199.06000	0.5
209.11775	100.0
210.12122	5.5
211.13339	86.8
212.13728	4.2
221.06638	1.4
223.60341	0.4
227.12846	13.3
228.13058	0.8
235.08224	5.1
245.06590	0.7
249.14967	1.1
253.09305	0.5
254.70273	0.5
263.07654	0.7
287.07709	1.8
305.08743	1.7
323.10025	1.0
379.12494	4.3
397.13516	36.3
398.13794	2.9
403.24954	0.8
415.14603	10.3
415.19934	1.0
416.15070	0.6
591.26660	1.5
607.26495	0.9
609.28040	2.4
610.27948	0.6
710.02374	0.5
801.40546	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.1
61.98703	100.0
62.98404	0.1
80.96389	0.2
87.69582	0.1
91.92930	0.1
96.95906	0.2
101.02335	0.2
120.89662	0.1
124.01530	0.1
205.18057	0.1
209.11845	0.9
209.13518	0.1
210.12251	0.2
229.41818	0.2
229.44000	0.2
235.08176	0.2
245.19238	0.2
246.73175	0.1
253.09245	0.3
277.21817	0.7
278.22055	0.3
289.18185	0.6
291.19672	0.2
293.21356	0.6
307.19278	0.6
309.20828	0.2
363.99136	0.2
402.06714	0.2
620.16681	0.2
641.36096	0.1
819.42126	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.5
61.98702	100.0
62.98397	0.1
70.00330	0.7
71.01263	0.5
78.59905	0.1
78.95775	0.2
79.95612	0.1
80.96387	0.4
85.02801	0.1
89.02313	0.4
96.95885	0.5
98.20457	0.2
101.02348	0.4
109.06446	0.3
113.02302	0.1
125.02319	0.3
163.11217	0.2
169.01274	0.2
183.13649	0.1
207.10269	0.5
208.10667	0.1
209.11742	0.8
211.13339	0.9
212.13751	0.3
225.11244	0.4
227.12706	0.2
300.99753	0.3
397.13596	0.3
772.04956	0.1
800.37909	0.3
818.37097	0.7
819.39886	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.7
60.61432	0.3
61.98704	100.0
62.98410	0.3
69.30692	1.9
69.31099	0.4
71.01254	0.5
71.06335	0.2
78.91781	0.4
78.95781	0.4
79.95619	0.4
80.91570	0.3
80.96403	0.4
91.52274	0.2
96.95895	0.3
97.93858	0.2
101.02330	0.2
103.57629	0.2
107.01279	0.4
123.00766	0.6
125.02327	1.1
165.11540	0.2
166.99782	0.6
169.01343	1.8
208.47369	0.3
209.11832	1.0
211.13322	1.1
225.00713	0.3
228.26976	0.2
229.01398	0.3
269.60883	0.3
284.88898	0.3
291.19724	0.5
293.21295	0.4
299.99310	0.2
300.99908	2.2
313.17944	0.5
318.75461	0.3
392.40152	0.3
397.13651	0.2
400.99747	0.2
556.96649	0.3
819.39520	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.5
61.98704	100.0
62.57224	0.1
62.98399	0.1
71.01260	0.5
71.56097	0.2
78.95799	0.3
79.95615	0.2
80.96403	0.6
83.42825	0.1
89.02310	0.2
90.91676	0.1
94.97978	0.1
96.95897	0.1
111.08057	0.2
125.02399	0.3
169.01364	0.2
171.10258	0.2
183.13785	0.1
202.25183	0.1
207.10294	0.3
208.10515	0.2
209.11809	0.8
211.13327	0.7
225.00818	0.1
225.11397	0.2
291.09225	0.1
298.30157	0.2
301.00232	0.1
309.20645	0.1
380.10272	0.1
397.13281	0.1
414.45374	0.1
452.74243	0.1
456.29745	0.1
818.38123	0.4
819.37842	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.4
61.98702	100.0
62.98423	0.2
71.01240	0.3
71.36517	0.3
71.36845	0.2
78.95765	0.2
79.95590	0.2
80.96398	0.5
96.63731	0.2
96.95905	0.4
101.02373	0.2
107.01330	0.2
123.00759	0.3
125.02339	1.0
166.99806	0.3
169.01353	1.1
195.21046	0.2
209.11847	0.8
211.13434	0.7
216.00650	0.2
225.00822	0.2
286.28784	0.2
289.17923	0.2
291.19815	0.2
293.21304	0.2
299.99329	0.3
300.99878	1.4
451.01944	0.2
590.70941	0.3
661.78717	0.2
819.39697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	46.5
61.98703	100.0
62.98409	0.8
67.83628	0.4
71.01262	1.9
71.55740	0.6
75.00749	0.5
78.36344	0.4
79.95601	0.5
80.96410	2.0
81.59757	0.5
84.53458	0.4
85.02834	0.5
87.00754	0.5
89.02333	1.0
94.97997	0.6
95.01280	0.6
96.95886	0.8
96.99195	2.1
97.02838	0.9
101.02334	1.5
101.52818	0.4
106.96877	0.5
113.02316	0.5
119.03365	0.5
125.02353	0.9
129.61780	0.4
132.62633	0.4
141.01604	23.2
142.05002	0.5
167.21718	0.4
169.01294	0.5
197.11847	0.8
207.10233	1.0
209.11768	0.5
211.13364	0.8
225.11359	0.5
235.08232	0.6
257.92575	0.4
259.14798	0.4
269.76123	0.4
277.21768	2.8
291.19733	0.5
359.21985	1.9
397.13461	6.2
415.14514	1.0
419.11545	1.0
437.12970	1.7
544.99664	0.4
575.18939	0.4
697.34222	0.9
817.37970	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81651	0.9
57.03323	2.1
58.00463	2.1
59.01255	27.1
61.98703	3.3
69.03316	2.0
70.57623	3.1
71.01257	26.5
72.99190	2.6
73.02806	2.8
80.02522	1.1
81.03339	4.3
83.01271	2.4
83.04880	5.0
85.02821	6.6
87.00753	6.0
89.02322	16.7
89.80761	1.1
91.00883	0.9
95.01276	1.7
95.04900	2.8
97.02841	5.2
97.06471	1.2
100.60218	1.2
101.02316	16.5
107.04964	1.2
109.06469	11.1
111.04428	1.1
113.02336	10.3
115.03858	1.1
119.03391	6.3
121.33041	0.8
125.02328	8.2
135.08055	2.2
143.03432	3.0
161.04457	3.6
163.11201	11.5
165.12706	1.8
169.01367	1.0
169.12193	1.2
171.10214	1.5
179.05510	5.5
181.12259	2.2
183.13820	3.7
185.11703	1.7
189.09184	1.2
191.10666	1.4
193.12222	1.3
199.13364	1.2
207.10202	22.8
209.11772	100.0
210.12021	5.9
211.13338	25.9
212.13687	2.7
217.07062	1.0
221.06606	2.4
221.15424	1.5
225.11272	21.8
227.12871	10.5
235.08083	4.5
250.76511	1.1
251.12732	1.6
263.16867	1.3
305.08755	1.4
329.24796	2.1
339.23425	2.0
355.22641	1.2
373.23773	2.0
379.12540	3.9
383.22260	5.1
391.24887	3.5
397.13498	30.1
398.13754	1.7
401.23300	9.4
415.14587	9.4
419.24429	7.3
607.25720	1.2
623.25629	3.8
637.71179	1.1
657.47131	1.2
769.09094	1.0
771.38379	3.5
781.36761	3.6
782.37042	1.2
799.37585	20.9
800.37482	4.6
817.38452	13.8
818.38855	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	817.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01583	1.5
61.98706	27.0
69.03317	0.6
70.97314	1.4
71.01260	3.7
72.99192	0.9
73.02841	0.6
75.00742	0.7
78.95796	1.0
79.95588	0.7
80.96415	1.9
83.01308	0.9
85.02795	0.8
88.98690	0.8
89.02346	2.1
94.97959	0.9
96.95912	0.9
96.99188	0.8
97.02830	1.1
101.02358	2.3
109.06483	0.8
113.02357	1.7
119.03437	1.0
125.02369	2.8
136.04524	0.6
141.01599	53.1
142.01941	0.8
163.11176	1.0
169.01338	1.8
174.05991	0.6
197.11774	5.1
207.10295	1.8
209.11789	1.7
211.13412	1.9
225.11391	1.3
235.08133	1.2
253.09241	0.9
277.21771	6.8
278.22046	0.7
291.19830	0.8
293.21204	1.0
301.00027	1.2
309.20837	2.1
326.35275	0.6
359.21957	5.3
397.13531	13.1
398.13559	1.5
401.23224	0.7
415.14508	2.9
419.11935	2.5
433.20508	0.8
437.12729	4.1
452.82104	0.6
645.07391	0.7
690.10809	0.6
697.34137	1.8
799.36945	0.9
817.38538	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	817.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02468	0.5
58.07749	0.5
59.01254	100.0
61.98705	81.2
63.99148	0.6
64.52278	0.6
67.23300	0.6
71.01263	3.9
71.48119	0.8
73.02785	0.8
78.95775	1.1
79.95603	1.0
80.96400	1.4
81.03332	0.7
83.04843	0.7
85.02842	0.7
87.00749	1.0
89.02309	1.5
96.99272	0.8
97.02831	1.7
101.02344	2.8
113.02280	0.7
119.03387	0.8
125.02378	2.5
137.45244	0.6
141.01605	50.9
142.02025	0.8
161.04449	0.7
165.22375	0.7
169.01381	0.8
181.43442	0.6
197.11821	1.6
207.10197	3.7
209.11818	1.1
211.13467	1.3
225.11278	1.7
239.12831	3.0
248.41557	0.6
253.09357	1.5
273.17078	1.3
277.21768	5.3
278.22250	0.8
291.19608	1.2
309.20795	1.1
328.47620	0.6
359.22122	5.2
397.13513	10.5
398.14008	0.9
415.14743	3.1
419.11880	2.4
437.12726	3.8
697.35168	1.1
806.14301	0.7
817.37769	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	817.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.0
58.00474	0.8
59.01255	15.6
61.98698	1.2
67.01736	0.6
68.03508	0.4
69.03330	1.2
71.01256	14.4
71.57923	0.6
71.58292	0.6
72.99189	2.2
73.02822	3.2
75.00735	0.7
76.38815	0.4
79.04029	0.5
80.02533	0.6
80.04919	0.7
81.03348	2.2
83.01250	1.8
83.04914	5.6
84.02065	0.7
85.02834	4.9
87.00758	3.2
89.02321	9.9
91.78244	0.5
93.04095	0.5
94.45444	0.4
95.01277	2.8
95.04906	1.1
96.95882	3.3
97.02832	2.1
97.06469	0.5
99.00749	1.3
101.02323	9.4
106.06505	1.1
107.01272	3.0
109.06470	1.7
111.00766	0.9
113.02343	5.5
116.92625	0.5
119.03408	2.7
122.06009	2.4
123.00795	3.1
125.02342	13.0
125.05998	0.9
125.09614	1.5
132.04428	0.7
133.02902	0.6
134.06015	6.3
135.08078	1.0
136.01602	0.5
137.02365	0.6
137.05968	0.5
139.00298	0.7
141.01862	0.9
143.03391	1.0
145.02821	1.0
148.07626	0.9
150.05635	0.5
150.06786	1.9
151.00223	0.8
152.07082	1.2
160.03903	0.5
161.02347	0.9
161.04456	2.0
162.05519	0.7
163.00247	0.7
163.03885	0.7
163.07516	1.1
163.11200	5.9
164.08354	0.6
165.05511	0.8
165.12764	2.3
166.99759	3.0
169.01337	14.0
170.01698	0.5
171.10210	0.8
173.02299	1.0
175.03934	0.6
177.01874	0.6
179.05534	1.9
179.10693	1.0
179.78635	0.5
181.12225	0.5
185.11754	1.0
187.00294	0.6
189.01910	0.7
190.04976	0.7
191.10751	1.2
195.06566	0.9
198.29007	0.5
201.01907	1.0
203.85271	0.5
207.10275	2.2
209.11778	100.0
210.12193	3.5
211.13342	2.2
213.10226	0.6
214.99736	0.5
216.00485	0.7
217.01364	1.0
221.06610	1.2
225.11427	1.2
227.12904	5.5
229.01210	0.6
235.08194	3.5
242.99289	0.7
244.00035	0.6
245.00809	0.9
247.02368	0.7
249.14923	1.2
250.07368	0.7
251.08395	0.8
251.12674	1.5
263.08237	1.3
264.08884	0.5
265.09924	1.5
265.14435	0.9
267.11456	2.0
273.00375	1.4
275.01959	1.3
277.09677	1.0
278.06891	1.4
279.07816	1.5
279.11331	0.7
284.10907	0.5
287.07660	0.8
291.07764	1.4
291.11084	0.5
292.08441	1.3
293.09277	3.2
294.09933	0.9
298.98480	0.6
299.99097	8.0
300.99884	7.1
301.03238	0.5
302.00159	0.6
305.09106	2.0
306.10101	0.9
307.10876	0.6
309.12344	0.8
313.23700	0.7
316.14417	0.6
320.07956	2.8
321.08524	0.7
323.09912	0.6
337.08273	1.7
337.11850	0.8
340.14621	1.5
356.13736	0.6
379.12457	3.2
384.13531	1.2
397.13495	20.9
398.14438	1.6
401.23242	2.3
412.16876	0.8
415.14417	4.4
419.24402	1.8
425.13849	0.5
492.34708	1.2
493.35532	1.1
589.24908	0.6
591.22650	0.7
607.26617	0.7
647.21381	0.7
648.22333	0.6
655.40601	1.9
662.23889	2.4
679.23950	1.6
694.26196	22.9
695.26190	3.5
753.27740	11.3
754.28082	1.6
781.36523	0.8
785.30420	7.7
786.30621	1.5
799.37769	5.1
800.38208	0.9
817.29486	1.9
817.45209	1.9
818.37958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.7
58.00463	1.5
59.01252	20.7
65.96136	1.1
68.99672	1.3
70.33259	4.6
71.01253	21.7
72.99169	1.7
73.02814	6.4
75.67688	0.9
79.75607	1.1
80.04913	2.3
81.03345	0.9
83.01275	2.9
85.02129	0.9
85.02377	1.1
85.02820	8.8
87.00757	3.1
89.02322	7.4
95.01252	2.2
96.95892	2.0
97.02852	2.0
99.00774	2.7
101.02316	11.4
106.06499	6.2
107.01289	3.1
107.03648	1.4
109.06480	1.1
111.00750	1.3
111.58521	0.9
113.02325	7.3
119.03432	2.6
120.04437	1.5
121.02799	1.3
122.06000	8.5
123.00768	3.3
125.02335	10.6
132.04465	4.3
134.06009	37.4
135.06477	1.1
141.67644	1.0
146.06039	1.8
148.03908	1.1
148.07610	0.9
149.02429	1.1
150.03148	1.9
150.06758	10.8
152.07080	6.4
158.02435	1.5
160.03981	3.0
161.02345	1.5
161.09668	1.3
163.07562	3.1
163.11279	1.0
164.08359	2.3
165.01794	1.1
165.05495	2.0
166.99803	2.4
169.01332	13.2
174.05551	1.5
179.10704	10.0
189.01758	1.0
190.05003	5.6
192.06552	2.1
195.06552	1.7
200.02901	1.0
207.10162	2.8
209.11781	2.0
211.08633	1.4
211.13354	1.8
213.10237	6.5
225.10323	3.5
227.11971	2.8
235.08731	1.9
237.10243	2.1
239.11853	4.8
241.13530	2.0
245.00931	1.3
247.08615	1.3
249.06711	1.1
249.10312	2.7
250.07735	1.1
251.08234	3.2
251.11832	2.2
253.09843	1.5
255.03024	2.2
261.10391	1.3
262.07458	1.3
263.08273	2.9
265.09882	4.6
267.11295	10.5
275.01990	1.6
277.06494	1.0
277.09796	4.3
278.07343	1.2
278.10269	1.8
279.07727	4.0
279.11273	2.2
284.03134	1.1
285.03888	1.7
285.12448	4.2
291.07779	3.1
291.11337	2.1
293.09293	6.6
293.12424	1.8
295.10754	1.4
300.99966	5.0
301.11942	1.6
305.09418	5.8
307.10840	1.5
309.12354	1.8
313.13214	1.1
316.14456	4.4
319.10944	1.2
320.07855	1.2
324.11588	1.8
325.12430	1.4
327.13565	4.6
328.14304	1.5
337.08420	1.5
337.12051	4.2
340.14523	14.9
341.15094	1.4
343.13049	1.0
344.14120	2.1
355.12936	1.2
356.14001	3.3
357.14359	1.8
358.15454	5.1
366.12454	1.8
368.10272	2.7
368.14252	1.6
370.15683	2.6
382.15952	2.4
383.12720	2.0
384.13477	8.6
384.17169	1.5
385.13940	1.6
387.15985	1.6
396.13516	4.1
397.13950	3.4
398.14981	7.5
399.15378	1.5
400.16772	3.2
401.23538	1.8
410.15131	3.8
412.16776	5.2
426.14517	4.2
427.15012	1.3
438.14490	2.6
444.15384	1.6
491.20593	1.7
493.35248	1.3
505.22702	1.2
516.60992	1.1
531.20807	1.2
545.21613	1.7
547.23657	1.2
573.21381	3.5
591.22571	4.9
592.23096	2.6
593.23022	1.3
608.31360	1.2
609.23077	1.1
623.24536	2.0
633.23419	1.3
648.22687	1.2
654.39935	1.4
655.40747	26.8
656.41229	2.9
662.23444	1.8
685.28467	4.7
694.26123	10.0
695.26978	2.4
711.26221	4.6
712.27295	4.2
713.27222	1.3
725.28351	2.3
753.27710	100.0
754.28052	23.0
785.30322	72.0
786.30603	17.7
799.37970	1.9
817.45093	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	817.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23898	29.4
83.33503	2.3
95.01263	3.3
102.00317	2.2
107.01264	2.5
111.00759	16.6
117.37808	2.4
121.02814	2.3
123.00753	5.5
125.02324	16.2
127.00283	3.3
133.02843	3.0
137.02399	2.5
139.00294	14.8
139.38788	2.2
140.24222	2.1
143.87740	2.7
145.02840	6.9
147.04477	3.5
151.00323	3.2
153.43248	2.3
154.99776	4.8
161.02327	8.7
163.00377	2.9
163.03928	4.0
165.01660	3.3
166.99757	7.3
169.01389	16.1
173.02406	4.5
177.01840	5.6
178.01971	3.2
182.99306	13.2
185.02412	3.0
189.01859	5.4
190.02702	2.9
190.99606	2.7
191.03476	4.5
201.01881	6.2
203.03415	4.1
205.01317	3.6
217.01346	7.9
219.02907	3.6
229.01357	7.6
233.00920	3.4
238.62022	2.3
245.00894	7.5
247.02388	6.7
249.04060	2.8
257.00836	4.6
261.00461	7.6
263.02042	3.1
270.98923	5.0
273.00348	7.8
275.01962	16.9
283.99881	2.5
286.98276	4.6
288.99954	6.5
299.99036	9.1
300.99893	100.0
302.00241	6.1
302.39749	2.4
314.98001	3.3
316.99399	37.5
317.99509	3.8
451.04886	2.8
463.05273	7.4
573.32166	3.5
613.05573	3.2
615.05530	3.3
633.07587	11.8
773.08087	3.1
841.88788	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	816.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.2
61.98705	100.0
65.08786	0.3
71.01269	0.5
71.56610	0.5
71.56985	0.5
75.00766	0.4
78.95807	0.5
79.95631	0.5
80.96381	0.9
88.98689	0.4
89.33614	0.3
95.48193	0.3
96.95904	0.3
101.02321	0.3
102.25449	0.3
107.01281	0.5
110.68517	0.3
114.10632	0.3
125.02340	1.5
141.01630	0.9
163.11351	0.3
166.15843	0.3
169.01361	1.9
197.11806	0.4
207.10228	0.8
209.11821	1.1
210.12207	0.5
211.13217	0.3
300.99930	1.1
312.22891	0.4
357.14581	0.3
397.13770	0.6
414.27127	0.3
461.15659	0.4
611.43048	0.3
728.93256	0.3
817.36603	0.4
834.63239	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.2
63.96944	1.4
66.34121	1.2
68.17393	1.3
71.01263	3.1
75.00752	4.8
77.88245	1.6
78.95768	10.8
83.04892	2.5
89.02335	1.7
96.96857	2.6
113.02308	1.5
120.19782	1.3
120.84142	1.4
138.17982	1.6
152.99457	2.6
163.11197	3.3
165.12799	1.4
171.10188	5.3
188.94279	1.4
199.26404	1.5
207.10147	1.7
209.11766	100.0
210.12111	5.5
227.12872	12.3
229.59222	1.7
235.08167	4.4
241.01067	8.0
253.09308	6.9
255.23285	6.8
277.21725	75.4
278.22299	6.6
318.10721	1.6
396.10138	1.6
445.21176	2.6
725.39075	9.7
797.41052	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	816.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	10.1
61.98702	100.0
65.52869	0.1
70.60593	0.5
70.60963	0.2
71.01273	0.5
72.26632	0.1
75.00756	0.3
79.95577	0.3
80.18763	0.2
80.96381	0.3
89.02305	0.3
95.01294	0.3
97.02850	0.2
101.02334	0.3
109.06525	0.1
120.53420	0.2
125.02332	0.2
138.97981	0.1
139.00244	0.2
141.01595	5.8
154.01637	0.1
169.01407	0.2
197.11685	0.2
209.11734	0.3
211.13394	0.2
225.11450	0.2
235.08157	0.2
253.09222	0.1
254.42964	0.2
273.17004	0.2
275.04675	0.2
277.21851	0.6
347.84738	0.2
359.22226	0.5
397.13501	1.4
415.14890	0.3
437.13074	0.4
519.36041	0.2
586.96960	0.1
635.66870	0.1
697.34369	0.2
815.49908	0.2
816.49908	0.8
817.37915	0.5
817.51691	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.4
61.98703	100.0
62.98413	0.2
71.01266	0.1
78.95792	0.2
79.95617	0.2
80.96402	0.4
89.02319	0.1
96.95908	0.1
97.02875	0.1
103.99555	0.1
109.06488	0.2
116.92680	0.1
125.02384	0.2
147.16238	0.1
148.99103	0.2
163.11259	0.2
169.01390	0.4
185.32837	0.1
207.10399	0.2
209.11835	0.5
210.12137	0.3
211.13272	0.2
225.11398	0.2
229.22885	0.1
232.65492	0.1
267.95178	0.2
300.99890	0.2
314.72543	0.1
327.22150	0.2
518.60608	0.1
584.76605	0.1
758.23633	0.2
816.48883	0.2
817.37891	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.0952
Annotation	Unknow
Peak:m/z	Relative Intensity
64.89411	1.1
86.78150	1.1
88.52155	1.2
94.42339	1.0
98.20517	2.0
125.36759	1.2
145.02837	2.2
147.04440	2.0
151.71693	0.9
173.02332	2.9
175.03972	1.0
185.02370	3.4
189.01794	1.5
190.02589	1.6
191.03462	2.2
201.01830	4.6
203.03403	2.8
213.01997	1.8
217.01285	2.5
219.02878	2.2
224.45323	1.0
229.01399	8.1
231.02882	3.2
245.00830	3.3
247.02444	5.7
249.03967	2.0
257.00891	6.9
258.01584	2.3
261.00311	1.3
270.98843	1.7
273.00510	1.3
274.00980	2.1
275.01968	16.1
283.99619	2.7
298.98297	2.5
299.99097	4.0
300.99908	100.0
302.00269	10.0
303.00375	2.9
316.99265	1.3
430.18051	1.0
433.09906	1.1
453.06949	1.4
481.06201	5.1
513.08710	1.2
560.89825	1.1
609.25635	1.1
617.51178	1.1
783.06049	1.8
787.10004	1.5
815.09052	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	813.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	24.0
60.99180	18.8
61.50539	2.0
69.55888	13.6
71.01265	6.3
72.99181	4.1
78.95777	37.1
80.60452	1.9
80.96398	5.8
81.03318	3.0
83.04908	4.4
85.02805	3.2
86.58449	2.0
87.00777	2.1
88.98676	87.2
89.02312	15.5
96.96833	9.5
97.02840	6.0
98.19862	2.1
99.00740	2.5
101.02317	4.8
109.06477	35.4
121.06486	2.4
124.85659	1.7
127.89292	1.7
135.08060	5.8
136.05188	2.8
152.98409	1.9
152.99510	8.3
163.11218	22.8
165.12823	2.5
181.12233	4.8
189.09206	4.0
207.10214	100.0
208.10574	4.6
209.11787	26.4
221.75018	1.8
223.00066	2.3
225.11284	33.7
227.12862	2.0
235.08229	5.0
239.12854	2.6
241.01151	15.3
253.09285	15.0
255.23267	19.9
277.21710	89.2
278.22092	5.3
443.19205	5.4
456.02716	2.0
461.20346	10.7
507.56204	1.9
639.56354	1.7
683.23065	2.0
703.40430	2.6
721.41730	35.5
722.41876	5.0
795.38135	3.4
813.43896	37.2
814.44476	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	813.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	24.0
60.99180	18.8
61.50539	2.0
69.55888	13.6
71.01265	6.3
72.99181	4.1
78.95777	37.1
80.60452	1.9
80.96398	5.8
81.03318	3.0
83.04908	4.4
85.02805	3.2
86.58449	2.0
87.00777	2.1
88.98676	87.2
89.02312	15.5
96.96833	9.5
97.02840	6.0
98.19862	2.1
99.00740	2.5
101.02317	4.8
109.06477	35.4
121.06486	2.4
124.85659	1.7
127.89292	1.7
135.08060	5.8
136.05188	2.8
152.98409	1.9
152.99510	8.3
163.11218	22.8
165.12823	2.5
181.12233	4.8
189.09206	4.0
207.10214	100.0
208.10574	4.6
209.11787	26.4
221.75018	1.8
223.00066	2.3
225.11284	33.7
227.12862	2.0
235.08229	5.0
239.12854	2.6
241.01151	15.3
253.09285	15.0
255.23267	19.9
277.21710	89.2
278.22092	5.3
443.19205	5.4
456.02716	2.0
461.20346	10.7
507.56204	1.9
639.56354	1.7
683.23065	2.0
703.40430	2.6
721.41730	35.5
722.41876	5.0
795.38135	3.4
813.43896	37.2
814.44476	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	813.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.4
60.99182	19.0
61.15356	0.2
70.22054	0.3
71.01276	0.2
71.37476	0.3
72.99177	0.4
78.95801	0.3
87.00761	3.3
88.00290	3.9
88.00845	0.3
88.01089	0.6
88.03860	0.3
88.98683	100.0
89.02319	17.8
89.85621	0.2
89.99019	0.8
90.02676	0.3
115.97244	0.3
194.00079	0.3
204.81602	0.3
209.11766	3.5
210.12183	0.3
227.12846	0.6
227.72475	0.2
229.41222	0.3
277.21643	1.9
282.61087	0.3
556.82031	0.3
634.82166	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	6.6
61.98698	10.7
67.29170	1.3
71.01252	4.4
71.48633	2.9
73.36922	1.2
75.00748	2.4
78.95779	1.5
81.03355	1.9
81.26004	1.4
83.04902	6.0
85.02863	1.2
89.02309	1.9
93.03345	1.2
96.95869	2.2
101.02306	3.4
107.01295	1.8
109.06507	1.8
123.00796	2.0
123.08129	1.2
125.02317	6.9
163.11163	5.3
165.12759	2.9
166.99812	3.0
169.01350	8.3
181.12257	1.7
185.11696	1.5
191.10722	1.4
209.11768	100.0
210.12097	4.6
227.12889	15.3
235.08328	3.2
245.19055	2.5
253.09293	6.9
263.20142	2.0
275.01959	1.8
289.18100	7.7
300.99899	6.0
307.19061	12.7
445.20969	2.0
452.02985	2.0
756.43726	1.6
812.48761	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	813.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83764	0.3
60.99178	18.3
69.30566	3.1
78.95784	0.8
79.78451	0.3
87.00763	3.2
88.00269	3.2
88.01089	0.5
88.98680	100.0
89.02319	17.5
89.99018	1.0
97.92253	0.3
98.19827	0.7
131.56685	0.3
167.82574	0.3
206.95070	0.3
209.11809	1.7
277.21783	2.8
278.21930	0.4
464.67975	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	3.6
59.01253	39.3
61.42708	3.1
61.98688	7.1
69.03324	4.6
71.01281	17.4
71.37087	7.5
75.00733	4.7
78.95783	9.3
83.01232	4.1
83.04903	5.1
85.02827	7.4
87.00763	3.7
89.02312	11.7
94.40981	3.5
95.01260	6.9
95.04922	4.7
97.02830	12.9
97.06437	6.3
101.02301	14.0
109.06484	40.4
123.00768	5.9
125.02329	12.2
125.09586	6.0
126.06768	3.2
135.08037	5.4
138.14412	4.0
151.11139	4.4
161.09560	3.4
163.11237	23.4
165.12744	8.0
166.99707	4.0
169.01338	10.9
171.10170	4.3
181.12230	14.1
183.01160	14.5
191.10765	4.7
205.12184	3.4
207.10216	100.0
208.10448	4.1
209.11777	30.4
210.58122	3.8
211.13278	6.9
223.13336	9.9
225.11281	49.0
227.12776	5.6
235.08186	6.5
239.12854	6.2
245.19162	4.3
253.09203	15.0
263.20074	9.8
275.02328	4.1
289.17969	11.0
293.21155	5.8
297.15298	44.1
299.99097	5.5
300.99768	12.2
307.19107	27.3
309.20755	4.8
357.20813	4.3
381.20877	4.3
399.21387	11.2
417.22906	7.5
461.20187	12.4
479.28116	8.4
497.29367	4.4
635.30481	10.8
653.31598	11.2
715.37164	6.0
733.38171	10.6
751.39117	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	811.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	31.8
62.29062	2.6
71.01254	13.6
80.02566	2.9
81.03339	5.6
83.01251	2.5
83.04903	5.8
85.02838	3.3
89.02319	5.0
95.01288	2.8
97.02828	10.2
97.06497	3.8
99.00785	3.9
101.02330	10.4
109.06483	35.4
113.02342	5.5
120.20259	2.2
121.06506	5.2
123.00788	4.1
123.04388	5.8
125.02330	5.7
125.09599	7.5
135.08064	6.6
137.09616	4.0
142.02690	2.8
144.53775	2.4
161.04463	4.0
161.09657	3.2
163.11197	23.1
164.11542	2.7
166.99832	2.2
169.01399	6.6
181.12247	5.9
185.11783	9.2
189.09225	3.7
191.10652	3.4
191.14485	5.2
207.10197	100.0
208.10564	4.3
209.11737	24.5
211.13397	3.2
225.11261	39.1
235.08267	5.8
245.19075	10.7
246.19331	2.8
253.09280	19.3
289.18085	35.1
300.99832	5.5
307.19113	43.9
308.19720	3.9
399.21991	3.0
417.22864	3.1
421.11996	2.4
443.19437	4.9
461.20065	11.9
497.29047	6.9
635.30536	10.0
715.37036	4.0
733.38574	7.9
751.38995	28.3
752.39819	6.0
761.66504	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	811.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13336	0.5
60.99180	20.3
71.01235	1.0
71.03956	1.2
78.95755	0.8
80.96403	0.9
87.00746	3.2
88.00275	3.1
88.98680	100.0
89.02316	17.1
89.99043	0.7
193.59448	0.5
277.21698	1.0
731.84650	0.5
811.42896	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	811.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.2
60.99179	17.3
63.02201	0.6
69.50128	5.2
69.59180	0.7
71.01243	0.9
76.04333	0.6
78.95783	1.0
80.96382	0.6
87.00754	2.7
88.00269	3.7
88.98679	100.0
89.02318	14.3
89.99004	0.7
154.53609	0.7
163.11220	0.7
167.77245	0.6
202.83420	0.6
207.10219	0.7
209.11763	9.7
225.00804	0.8
227.12871	0.9
237.14865	2.9
253.09215	0.9
277.21762	7.0
539.16656	0.6
811.42426	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	809.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.2
60.58212	0.6
68.10015	0.6
69.25992	7.1
79.72236	0.5
80.68633	0.6
88.30120	0.6
88.98755	0.7
93.03336	4.1
95.01253	1.7
95.04893	0.9
96.95865	0.6
107.01303	1.5
108.02034	0.7
109.02842	1.9
111.00783	0.7
116.92753	1.0
121.02840	7.6
122.02818	1.2
122.03638	15.8
122.57985	0.6
123.00783	5.8
123.04428	1.3
124.01569	1.2
125.02351	6.9
132.02037	0.9
133.02858	1.8
134.03661	3.1
136.00642	0.8
136.01579	8.1
137.02354	5.1
139.00284	0.8
145.02866	1.1
146.03635	1.6
147.04366	0.8
149.02354	31.4
149.06006	2.5
150.03136	100.0
151.00291	4.2
151.03934	20.3
152.01114	0.7
159.04465	0.6
161.02324	1.4
161.06004	0.8
162.03151	1.2
162.55965	0.8
163.03943	1.2
164.04727	6.7
165.05493	86.7
166.02640	5.5
166.05824	2.7
166.99779	1.7
167.03529	1.3
169.01360	8.4
177.01866	1.2
177.05492	1.9
179.07088	7.2
180.04233	6.5
181.04997	7.0
184.03476	0.8
187.03979	0.7
190.51294	0.6
191.03458	0.9
192.04147	0.9
192.69470	0.6
193.05008	1.3
193.38498	0.6
195.06567	50.3
196.06982	1.5
201.01929	0.8
205.05028	3.2
209.11888	0.6
217.01352	0.6
219.06607	1.7
220.07376	1.4
245.01018	0.6
298.98242	1.2
301.00079	3.2
329.10254	1.1
357.13556	0.9
387.14517	2.3
403.13831	0.9
416.14679	0.8
417.15598	9.0
418.16336	0.7
550.17419	0.7
563.19257	0.8
564.19965	1.5
565.20831	20.0
566.21368	2.2
595.21960	2.4
613.22986	4.3
619.22113	1.8
713.26117	10.0
714.26721	0.9
743.27228	2.4
761.28302	1.6
802.52277	0.8
809.28052	2.9
809.42401	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29017	0.4
58.54587	0.5
59.01257	2.3
61.98714	1.0
71.01258	2.0
71.57873	0.9
72.99208	0.7
75.00747	2.3
79.10874	0.5
83.01256	0.5
85.02851	0.4
88.98692	0.9
89.02332	0.8
93.03344	4.2
95.01271	1.3
96.95849	0.7
101.02354	1.3
103.00274	2.0
107.01257	1.6
108.02077	0.9
109.02778	0.8
111.00790	0.7
113.02309	0.7
115.00243	1.1
116.92747	2.0
117.92706	0.7
121.02847	5.8
122.03635	15.2
123.00766	3.2
123.04422	0.9
124.01570	1.0
125.02321	6.3
133.01314	1.9
133.02864	1.9
133.04950	2.0
135.02859	1.4
135.04405	0.6
136.01576	3.6
137.02354	1.5
139.00255	1.1
139.03958	0.7
146.03572	0.7
147.21068	0.5
149.02354	20.9
150.03136	97.9
151.00284	3.1
151.03871	4.5
161.02374	0.5
163.03911	0.6
164.04715	3.9
165.05492	100.0
166.02652	3.1
166.05835	3.1
166.99768	1.2
168.00591	1.2
169.01329	9.2
172.45523	0.5
175.03883	0.7
179.07030	3.2
180.04224	6.0
181.04993	5.7
189.01871	0.6
191.03384	0.6
195.06566	77.1
196.06877	3.2
201.11169	0.8
202.02563	0.6
205.05058	0.9
209.11722	2.5
210.12297	0.5
219.06566	0.6
275.02103	0.5
298.98495	0.7
299.98752	0.5
300.99963	2.8
302.00516	0.6
307.08148	0.6
327.22046	0.5
349.09604	0.5
366.51666	0.6
376.85590	0.6
387.14737	3.0
417.15576	7.5
418.15790	0.9
451.12299	1.2
565.20898	3.3
566.20404	0.6
595.21326	0.8
613.23004	1.6
657.24695	0.6
657.34979	7.1
689.62695	0.5
809.27045	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	809.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.6
59.96258	0.3
67.01749	0.7
69.96054	1.8
71.01236	0.4
93.03336	5.1
95.01268	0.7
95.04890	0.5
98.19768	0.4
105.03362	0.5
106.67865	0.4
107.01256	0.9
109.02839	0.8
116.92738	0.8
121.02848	6.1
122.03634	14.5
123.00767	1.4
123.04423	0.9
124.01563	0.7
125.02339	4.0
132.02107	0.4
133.02817	1.8
134.03653	1.0
135.04475	0.5
136.01572	3.3
137.02361	3.1
146.03613	1.4
147.04480	0.4
149.02351	20.8
149.05986	1.1
150.03134	100.0
151.00302	2.0
151.03932	8.5
152.04659	0.5
160.05144	0.4
161.02342	0.8
161.05940	0.4
162.03102	0.6
164.04695	4.2
165.01801	1.5
165.05490	93.1
166.02647	4.8
166.05801	3.3
166.99777	0.7
167.03391	0.7
169.01326	5.0
175.03813	0.4
177.01849	0.8
177.05450	1.1
178.02644	0.5
179.07068	4.5
180.04214	6.8
181.05029	6.5
194.44237	0.4
195.06570	59.7
196.06909	1.8
205.05063	1.1
219.06517	0.9
220.07332	0.5
237.95097	0.4
242.27599	0.5
273.00235	0.6
276.08435	0.4
299.99210	0.5
300.99875	1.0
321.27466	0.4
373.12799	0.5
387.10263	0.7
387.14719	2.3
403.13776	0.8
416.15079	0.5
417.15591	7.3
565.12250	0.8
565.20740	10.6
566.21051	1.3
595.21490	1.3
596.48315	0.4
613.22778	3.3
638.79352	0.4
713.26392	1.2
743.26794	0.5
761.28339	0.9
809.27966	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.9
59.01244	3.4
63.02263	2.6
65.00194	6.8
71.01250	5.0
83.01261	5.2
93.03359	2.6
93.70422	1.8
95.01241	3.0
96.95918	3.0
98.20506	4.4
101.02376	2.2
107.01257	14.5
109.02859	10.3
110.08678	1.7
119.56060	1.8
119.78259	2.0
121.02863	11.8
123.00757	5.3
125.02322	31.5
133.02888	2.3
135.04443	2.3
137.02377	2.9
139.00192	2.2
140.01053	2.5
144.11472	2.1
148.01608	3.3
149.02325	4.7
151.00279	33.8
152.65826	2.0
159.00789	4.9
159.04404	2.9
161.02336	3.9
163.00314	5.8
164.01050	3.0
165.01822	2.7
169.01329	37.1
175.00233	6.5
176.01018	2.7
177.01852	7.4
178.99800	16.2
191.03371	3.5
193.01381	3.1
202.99794	44.3
203.03416	2.3
204.00128	3.7
211.02364	2.6
211.04088	3.0
216.00592	5.4
217.01390	2.8
226.02711	2.2
227.03392	4.8
231.02931	2.2
235.02419	8.1
243.02960	9.9
245.04547	2.4
253.04947	2.4
255.02974	27.9
256.03275	2.7
263.01801	2.9
271.02463	49.0
272.02985	4.7
273.00537	3.1
273.03958	3.2
274.01410	2.8
275.01852	2.7
279.03094	5.1
283.02509	6.6
285.04114	2.4
295.02435	4.2
297.03882	3.5
299.01886	3.2
299.99420	4.1
300.02719	100.0
300.99899	11.8
301.03442	84.8
302.03842	7.4
307.02496	16.7
311.01862	3.1
312.99933	3.1
313.05649	8.9
323.01868	13.3
324.02634	3.4
325.03467	4.5
352.02158	25.0
353.02890	16.7
384.04895	15.6
385.05600	19.9
421.06027	4.2
462.05807	11.3
463.08429	25.1
464.08762	4.3
489.49094	2.8
494.08606	2.6
495.09372	7.2
547.11200	4.6
560.24835	2.4
611.86377	2.3
615.09845	90.5
616.10236	12.7
625.12323	4.6
655.09363	2.8
667.09576	9.3
684.39984	2.6
777.13092	40.7
778.13348	7.7
791.14600	4.4
809.15643	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	809.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.4
61.98696	0.9
66.12084	0.3
71.01279	0.9
93.03327	0.4
95.01289	1.4
96.95897	0.5
107.01300	0.8
107.32983	0.5
109.02888	0.5
111.00784	0.5
117.03405	1.2
119.04960	0.8
121.02849	0.9
123.00774	3.9
125.02333	5.9
133.02892	0.5
134.03648	3.8
135.04465	1.1
137.02359	0.7
139.00363	0.5
145.02907	1.9
147.04460	1.9
149.02344	0.8
149.06151	0.5
150.03114	0.6
151.00317	1.0
157.02875	0.6
158.03548	0.5
159.04471	0.9
160.01540	1.0
161.02356	0.9
163.00349	0.6
163.03903	1.3
164.01041	0.4
164.04698	0.8
165.01807	0.6
166.99841	0.6
168.00560	0.5
169.01337	4.7
173.02316	2.3
174.03084	0.7
175.03932	2.6
177.01897	1.0
178.02634	0.6
185.02380	3.6
187.04019	0.6
189.01816	1.4
190.02567	1.0
190.99924	0.4
191.03485	2.1
193.05057	0.8
195.06491	0.5
201.01904	3.1
202.02621	0.5
203.03429	3.3
205.01387	0.7
213.02020	0.9
214.02696	0.4
217.01384	2.3
218.02284	0.6
219.02969	1.1
226.99850	0.7
229.01370	7.5
230.02014	0.8
231.02980	3.3
244.00078	0.5
245.00858	4.1
247.02464	2.3
248.03200	4.2
249.03987	5.8
255.02805	0.4
257.00928	5.1
258.01620	1.4
273.00433	3.5
274.01059	2.0
275.01987	10.2
276.02292	1.0
283.02438	0.5
283.99707	3.2
291.01376	2.4
299.99149	4.4
300.02417	0.6
300.99896	100.0
302.00208	6.5
633.07056	1.3
639.10028	1.8
809.11969	26.1
810.12524	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	809.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	0.8
69.33981	1.1
69.34390	4.4
71.01262	1.1
75.00753	0.7
95.01279	1.6
107.01253	0.5
109.02875	0.6
111.00760	0.5
115.00257	0.5
117.03387	1.5
119.04930	0.8
121.02829	0.7
123.00771	6.3
124.01527	0.8
125.02345	6.8
126.02692	0.6
129.03401	0.8
129.21417	0.5
132.02075	0.7
133.02873	0.9
134.03619	4.5
135.04404	0.9
137.02367	0.7
137.61935	0.5
139.00345	0.6
145.02794	2.5
147.04469	1.7
147.09369	0.5
149.02354	1.0
149.38635	0.5
150.03114	0.9
151.03957	0.7
157.02856	0.7
158.03606	0.6
159.04425	1.5
160.01546	1.8
161.02315	1.2
163.00250	1.1
163.03905	1.3
164.04666	0.6
165.01871	1.0
165.05542	0.8
166.99794	0.5
168.00580	3.4
169.01357	8.0
170.01726	0.7
173.02373	2.3
174.03159	0.7
175.02383	1.6
175.03940	2.1
177.01862	1.8
185.02344	4.6
187.03871	0.7
189.01823	1.5
190.02603	1.3
191.03433	3.0
193.04909	0.7
201.01900	4.2
202.62648	0.5
203.03436	4.2
213.01927	1.0
216.00424	0.6
217.01369	2.2
218.02240	0.5
219.02895	1.0
226.99840	0.8
229.01347	7.4
230.02173	1.3
231.03006	3.0
236.11603	0.5
243.03140	0.6
244.00195	0.6
245.00955	5.0
247.02504	2.1
248.03200	3.2
249.03983	4.9
250.04358	0.6
257.00882	5.3
258.01529	1.1
273.00278	3.3
274.01221	1.9
275.01999	11.7
283.99686	3.3
291.01474	2.2
299.99081	5.5
300.40295	0.6
300.99902	100.0
302.00229	7.6
315.01376	0.7
343.95233	0.6
360.87317	0.6
463.05411	1.5
529.01831	0.6
615.05762	1.2
639.09851	1.3
808.97162	1.2
809.12030	21.9
810.12225	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	807.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	12.7
61.98701	14.0
71.01252	24.1
78.95763	7.7
80.91542	5.7
80.96404	10.0
82.95298	7.1
87.00754	4.9
87.97291	3.9
89.02300	6.6
89.58678	3.9
96.95880	10.6
97.06673	3.7
97.56803	4.1
99.00748	11.9
101.02329	9.6
109.06498	9.0
125.09580	5.7
152.99431	5.2
163.11188	11.0
171.10182	24.9
181.12262	12.8
199.13350	14.4
207.10196	48.1
209.11826	8.7
225.11295	59.4
226.11693	4.3
243.12413	9.4
253.09245	11.6
255.23318	12.8
256.23422	5.4
277.21747	100.0
277.24728	3.4
278.22067	17.4
379.12320	6.3
397.13382	10.5
455.28598	5.6
461.20547	12.6
479.21399	11.5
721.41663	12.4
739.42914	38.1
771.45221	17.9
807.42938	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	808.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	4.6
61.98719	2.5
69.31203	17.8
69.31613	5.3
71.01263	2.9
79.16564	2.0
79.71613	1.9
80.08810	1.9
82.95290	66.5
83.02392	4.5
83.04885	2.9
84.00784	100.0
84.94987	25.5
98.20509	3.9
99.91262	2.4
101.02328	3.1
171.10220	5.7
172.10481	2.8
209.11772	93.5
210.12164	7.3
227.12834	9.8
253.09270	5.8
277.21750	45.4
278.22055	4.8
411.71866	2.3
441.50656	2.4
716.30981	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	807.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84962	11.7
61.98704	22.3
64.78522	12.5
66.33089	13.3
67.24913	11.1
70.79056	22.9
70.79397	24.6
78.85266	10.9
78.95795	36.3
93.40614	13.2
101.02367	12.5
101.34495	11.9
102.15567	12.3
125.02357	41.5
136.70967	13.5
166.90404	15.6
169.01421	73.0
171.10233	14.1
209.11795	100.0
211.13309	19.8
227.12793	24.5
243.48901	15.1
253.09361	19.3
273.00256	15.2
277.11264	14.1
293.21274	84.5
300.99954	60.6
397.40604	13.8
445.20798	15.9
807.42297	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	807.394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	18.1
60.99183	4.4
61.98702	8.8
71.01250	12.6
73.02827	4.6
81.03310	4.0
85.02818	5.5
87.00732	5.5
88.98666	24.8
89.02332	8.4
95.01217	5.0
96.95886	15.5
97.02811	3.9
97.06502	3.2
99.00743	4.6
99.92481	8.4
101.02322	7.0
109.06468	6.8
113.02315	5.5
116.92742	100.0
117.01848	5.7
117.92789	4.7
123.00756	5.9
125.02319	17.7
141.01514	3.5
153.54926	2.9
154.93547	3.0
161.04483	3.4
163.11185	5.7
169.01323	25.5
171.10188	5.7
192.00511	4.4
197.11716	6.7
207.10146	25.2
209.11765	63.2
209.13728	3.4
210.12009	5.3
211.13292	11.5
225.11333	9.4
227.12897	15.3
229.49164	5.1
235.08192	6.9
253.09265	16.6
300.99908	16.2
318.09717	3.3
325.20132	29.0
327.21698	36.0
373.53564	3.6
444.20639	3.9
445.20551	5.0
461.20108	7.0
707.10876	3.2
770.61340	4.0
771.41266	20.9
772.42535	6.0
807.23053	3.8
807.39459	23.8
808.38885	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	807.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	4.2
71.01256	2.8
81.61069	1.0
83.01276	1.1
85.02855	1.2
89.02332	1.7
91.76012	1.1
93.03352	1.4
95.01267	2.0
96.95878	8.2
98.19759	2.0
101.02322	1.3
107.01292	1.6
109.02843	1.4
111.79213	1.2
113.02302	1.3
115.00197	1.6
116.92731	2.9
121.02840	1.2
122.06006	3.9
123.00745	2.9
125.02359	7.2
133.01323	2.6
135.04405	1.3
136.01437	1.3
137.02362	2.4
137.21191	1.3
149.02415	1.9
151.00279	2.5
151.03917	3.5
152.07091	3.9
153.07425	1.5
161.02455	1.2
161.04358	1.2
165.01849	3.8
165.05492	1.9
166.02673	5.1
166.99939	1.4
169.01350	8.3
176.55611	1.1
176.57394	1.0
180.04205	2.2
181.04935	4.2
195.06528	2.9
197.11880	1.4
207.10213	1.1
209.11803	2.1
215.07121	2.1
225.05496	3.0
226.06075	1.7
227.03447	4.1
227.07033	2.3
228.04210	3.2
240.04277	1.2
241.05020	1.6
242.05756	1.7
243.06544	6.9
253.05020	5.6
254.05833	6.0
255.03067	1.8
255.06425	2.1
256.03668	6.1
269.08191	4.8
270.05286	2.6
271.06119	20.6
272.06638	1.5
275.01807	1.2
281.04556	4.2
282.05234	3.2
283.06149	2.7
285.07758	1.8
285.12296	1.4
286.08401	3.1
296.06879	3.5
297.07578	2.2
298.04913	1.6
298.08377	2.3
299.05630	44.0
299.98990	1.4
300.06076	3.5
300.99835	4.5
302.00159	1.4
311.05884	1.5
311.09235	3.8
313.07065	2.1
313.10757	1.2
314.07944	62.0
315.08255	6.0
326.07919	3.2
328.09381	1.2
329.10291	100.0
330.10648	9.1
341.10355	6.2
342.10779	2.2
359.11365	36.5
360.11789	3.9
371.11404	2.1
380.47168	1.1
389.12415	12.5
417.15494	1.4
568.26349	1.8
613.25226	1.4
626.26825	1.8
627.26855	2.3
645.27942	2.5
729.24640	5.3
741.25580	1.9
759.26233	2.4
777.27637	18.1
778.27838	4.1
789.27490	5.4
790.27704	1.9
807.28735	12.0
808.29248	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	4.7
61.98710	2.2
71.01259	7.0
71.58236	1.9
72.36363	1.3
72.99182	1.9
83.04908	1.5
85.02862	3.0
89.02310	1.9
90.60800	1.2
93.03345	1.4
96.95906	8.2
97.02879	1.4
98.95460	1.7
101.02308	2.1
105.52218	1.5
107.01266	4.4
109.02844	2.9
115.00259	5.8
116.92731	5.2
121.02853	2.2
123.00733	2.9
124.01553	1.3
125.02332	12.4
126.02671	1.8
133.01340	14.0
133.02849	1.7
136.01494	1.5
136.70668	1.3
137.02348	6.3
141.01813	1.7
145.02863	1.9
147.04468	2.0
149.02356	4.5
149.05948	1.6
149.73247	1.2
150.03079	2.7
151.00272	7.9
151.03911	4.0
152.01070	1.9
161.02345	2.4
163.00343	2.6
163.03905	1.7
165.01823	5.1
165.05466	3.8
166.02617	13.4
166.99794	1.4
167.03352	2.6
169.01347	18.3
171.10266	1.5
171.86188	1.4
175.00259	2.2
175.02493	2.0
175.03915	3.2
177.01833	6.6
179.03398	6.4
180.04210	2.3
181.05006	13.5
190.99808	2.3
191.03488	3.9
192.04204	2.8
195.06552	2.1
197.05948	1.3
199.03851	1.6
199.07745	2.1
199.09631	2.5
201.11317	2.4
203.03484	2.4
205.05045	3.0
206.02142	2.4
207.06616	1.8
209.06007	1.6
209.11751	7.8
211.03993	1.6
225.05507	3.5
227.03462	4.6
227.07130	2.5
227.12703	2.1
228.04265	3.4
229.04933	2.0
235.26559	1.4
241.05005	2.9
243.06587	6.6
245.00883	1.6
247.02316	1.7
253.05067	6.1
253.09131	2.2
254.05815	6.2
255.02977	2.5
255.06436	2.1
256.03711	5.9
257.04376	1.7
269.08243	3.7
270.05212	3.5
271.06155	19.2
272.06473	1.7
281.04529	3.2
282.05377	4.9
283.06198	3.2
285.04044	2.8
285.07343	2.8
286.08566	3.2
296.06836	3.7
297.07675	3.0
298.04803	2.8
299.05579	43.3
299.99039	5.6
300.02734	2.2
300.06165	3.6
300.99918	13.1
302.00354	1.7
311.05698	2.5
311.09210	3.2
313.07101	3.4
314.07947	69.8
315.08328	5.8
317.03174	1.3
325.03522	2.1
326.07977	4.9
328.09302	2.6
329.10291	100.0
330.10681	7.6
341.10260	10.5
342.10965	2.1
359.11401	36.6
359.15994	1.9
360.11575	2.4
371.11383	8.1
389.12448	9.5
403.13995	3.4
417.15720	1.6
493.11481	2.3
528.02185	1.6
564.24176	1.6
593.56775	1.4
729.25708	9.6
731.27435	1.6
741.25879	2.9
759.26617	9.5
760.27209	2.3
777.27686	24.1
778.28076	4.5
789.27386	11.8
790.28040	1.9
807.16772	1.8
807.28918	19.0
808.29382	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	807.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00198	2.0
67.01772	1.2
67.06593	1.0
69.03321	2.7
70.08369	2.8
70.08778	2.3
73.39979	0.9
81.03307	1.2
83.01263	3.1
83.16861	1.0
94.37283	0.9
95.01268	7.5
97.02808	2.2
107.01260	1.2
109.02823	2.6
111.00763	4.1
123.00761	2.8
125.02341	55.6
126.02679	1.7
131.70703	0.9
135.00803	1.3
137.02325	3.6
139.00240	6.0
145.02832	2.6
154.99738	2.7
160.01604	1.1
161.02399	1.5
163.00298	15.3
163.03893	1.4
164.00981	1.6
164.98198	3.3
165.01817	9.0
166.99796	2.8
169.01337	98.1
170.01677	3.1
173.02339	3.1
177.01759	1.7
178.99797	1.7
185.02396	1.3
189.01852	2.8
190.99786	9.0
193.01350	1.5
199.03923	0.9
201.01886	4.3
203.03502	1.4
206.99300	2.0
208.00102	4.6
209.00868	21.9
213.01888	1.9
215.03444	1.2
217.01372	3.1
222.94267	1.1
226.99951	1.1
227.03532	1.0
229.01361	4.3
230.01913	1.7
231.02943	2.3
242.99355	1.3
243.03082	2.3
245.00865	8.1
247.02428	1.2
248.03137	1.0
257.00854	4.1
269.01016	1.5
270.98999	1.4
271.02206	1.3
273.00351	10.8
274.00955	2.8
275.01981	10.7
283.99533	1.3
285.00406	1.7
287.01968	2.1
298.98340	4.1
299.01566	1.2
299.99109	20.5
300.99899	100.0
302.00204	6.4
312.99921	1.2
313.05475	1.4
314.00687	1.5
315.01462	4.4
335.03989	3.2
343.00922	5.6
353.05188	10.1
405.04752	1.4
437.07147	1.8
445.04007	2.3
447.05576	3.9
461.03510	5.2
463.05194	48.5
464.05676	5.3
475.05286	11.6
476.05469	2.2
491.04849	2.2
493.06216	2.5
501.03180	2.0
505.06195	2.1
523.07013	5.6
593.07831	2.6
613.04761	2.3
633.07019	2.9
661.06116	1.2
671.05499	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	807.09
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86867	0.9
59.01263	1.3
60.48215	1.0
65.00196	2.1
67.01766	1.6
69.03345	2.5
69.87862	2.2
69.88275	4.1
71.01226	1.1
78.04809	0.9
80.60222	0.9
83.01275	3.1
87.00771	1.3
91.18346	0.9
95.01271	7.4
97.02853	1.8
98.19858	1.6
99.00761	1.3
109.02824	2.2
111.00769	3.0
117.03387	1.6
123.00790	3.0
124.01598	1.4
125.02338	67.3
126.02723	1.5
135.00850	1.0
137.02350	6.5
139.00273	5.6
145.02863	2.5
147.04381	1.2
149.02345	1.1
151.00314	1.0
154.99799	3.5
157.01353	1.4
159.04474	1.3
161.02348	1.9
163.00307	14.7
164.00916	1.3
164.98254	1.6
165.01854	10.9
166.99812	2.2
169.01353	90.2
170.01654	2.8
173.02383	3.6
178.99789	1.9
185.02431	2.5
189.01910	4.3
190.99736	6.6
191.03470	1.7
193.01407	2.0
196.70432	1.2
201.01880	4.7
203.03485	2.1
208.00131	4.8
209.00874	17.6
213.01825	1.9
216.00587	1.4
217.01385	4.5
219.03020	1.8
226.99928	1.2
229.01443	5.7
231.02969	2.0
233.84792	1.0
243.02997	1.6
244.00029	1.7
245.00858	10.2
247.02475	2.7
251.01967	1.4
257.00873	4.1
259.02496	2.1
261.00415	1.7
270.98795	1.5
273.00375	9.7
274.01129	1.3
275.01978	9.3
283.99622	2.5
285.00381	3.4
287.01917	2.1
296.86774	1.2
297.00119	1.8
298.98373	2.8
299.99103	21.0
300.02274	1.9
300.99893	100.0
302.00342	7.1
312.99841	1.8
313.05582	1.7
314.00800	1.8
315.01373	4.0
321.84735	1.3
326.89676	1.2
331.06842	1.5
335.04129	2.4
343.00900	6.9
353.05173	8.4
417.05173	1.1
443.02618	1.4
445.04144	3.7
447.05615	3.2
461.03668	4.1
463.05228	47.6
464.05481	2.3
475.05151	11.4
491.04572	2.2
493.06100	2.5
501.03384	2.3
519.04211	1.3
523.07056	5.6
571.41650	1.2
613.04517	1.4
631.05383	1.4
633.07080	2.9
671.05237	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	807.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28746	1.2
65.83018	1.3
66.49110	1.5
69.03326	3.6
70.72111	5.0
71.46794	1.3
95.01259	6.6
97.02820	2.2
109.02811	1.9
111.00769	4.3
123.00761	4.3
125.02342	63.9
133.02795	2.1
137.02324	6.3
139.00276	5.4
145.02864	3.1
154.99780	2.1
156.37750	1.5
157.01317	2.4
163.00296	13.0
163.03868	2.2
164.01147	2.1
164.98273	2.2
165.01868	10.5
166.99725	2.1
169.01344	100.0
170.01694	2.4
173.02356	4.2
178.99771	3.6
185.02335	2.8
189.01799	2.0
190.99776	8.3
191.03441	1.8
193.01408	1.8
198.32744	1.5
201.01874	3.5
206.99332	2.4
208.00072	3.4
209.00816	15.5
215.03410	1.7
217.01299	2.9
228.00630	1.7
229.01349	6.5
230.01849	2.3
231.02837	1.8
245.00928	9.6
247.02315	2.8
257.00882	5.2
259.02554	2.8
271.02417	2.2
273.00403	9.0
275.01929	10.0
283.99701	3.0
285.00381	3.1
287.01935	1.9
295.42264	1.7
298.98419	2.5
299.99091	23.6
300.99887	96.8
302.00220	5.7
312.99792	2.1
313.05750	1.8
315.01581	4.9
335.04166	3.4
343.00900	6.0
353.05106	10.9
364.04706	1.7
433.04379	2.0
445.04111	4.2
447.05627	4.2
449.40704	1.5
453.06570	1.9
461.03595	5.0
463.05188	49.9
464.05527	4.0
475.05115	11.8
476.06467	2.2
491.04471	2.9
493.06284	2.7
501.02643	3.7
505.06036	1.8
523.07324	6.3
612.80933	1.5
631.05969	1.6
633.07343	2.7
708.75372	1.6
779.29895	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.6
61.10783	0.7
61.98675	1.0
63.77259	0.6
71.01257	5.0
73.02827	2.4
78.95755	1.5
80.96393	1.2
83.01248	0.9
85.02820	1.7
87.00747	0.9
89.02338	3.6
94.97954	0.7
101.02332	5.5
111.08047	7.5
113.02338	2.5
119.03403	1.5
132.61632	0.8
145.04930	0.7
152.99475	2.0
158.39944	0.7
161.04471	2.1
169.12218	3.7
179.17528	0.7
197.11777	35.4
198.12091	1.5
199.13358	3.0
211.13348	5.4
227.12820	0.9
235.08203	4.5
249.14952	1.3
253.09268	15.5
253.21738	1.0
263.20148	2.6
265.18176	0.8
277.21719	100.0
278.22104	7.9
278.34122	0.9
291.19650	17.5
292.20016	1.4
309.20721	35.4
310.21097	3.6
512.24084	0.9
569.27283	2.0
772.95483	0.8
805.44635	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.3
59.01252	2.7
61.98694	0.6
69.03345	0.3
70.14283	1.0
71.01252	2.4
72.99184	0.4
73.02824	0.4
78.91742	0.2
78.95784	0.3
79.95591	0.4
80.91570	0.2
80.96384	0.6
82.95294	1.2
84.00814	0.3
85.02833	0.6
87.00735	0.4
89.02325	1.9
94.98044	0.2
95.01307	0.2
95.04903	0.2
101.02328	2.6
111.08063	0.3
113.02319	1.1
113.09610	0.3
119.03433	0.4
125.02333	0.2
127.03556	0.2
141.09152	0.3
143.03351	0.3
143.24924	0.2
161.04486	1.1
167.10716	0.3
171.10204	0.6
179.05557	0.4
179.14308	0.9
195.12048	0.5
195.13837	8.9
196.14348	0.6
205.12244	0.6
205.15894	0.5
211.13423	0.5
223.13348	5.9
224.13806	0.4
225.14977	0.3
228.13664	0.8
231.21135	0.3
233.70667	0.2
235.08150	0.7
249.11057	0.8
249.22395	0.3
251.16634	0.3
253.09276	14.9
254.09572	0.6
256.13101	1.3
265.21658	0.3
267.12250	0.2
275.20178	5.7
276.20514	0.3
277.21674	1.4
291.19586	0.7
293.21234	100.0
294.21558	6.6
309.20834	1.0
380.91406	0.2
492.21957	0.3
505.30344	0.2
520.42523	0.2
529.30426	0.6
569.42175	1.0
621.63525	0.2
787.39246	0.3
805.41852	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46122	0.4
57.03327	0.5
57.11114	0.4
58.00501	1.2
59.01250	14.7
61.98720	1.3
67.01772	0.5
69.03355	1.7
69.69320	0.4
69.88358	2.4
71.01250	13.8
72.99217	1.3
73.02821	2.7
80.02570	1.5
81.03323	2.1
82.95285	0.5
83.01260	2.4
83.04894	5.6
84.02051	0.9
85.02823	2.5
87.00752	3.4
89.02318	12.2
95.01289	1.4
95.04932	1.1
96.95873	3.4
97.02837	2.2
97.06502	0.5
98.95486	0.5
99.00774	1.2
101.02321	10.7
107.01286	1.0
109.06500	0.5
111.00792	0.5
113.02336	6.1
114.32397	0.4
116.92744	0.6
119.03389	3.2
123.00808	1.0
123.04418	0.5
125.02331	6.7
125.06017	0.5
125.09660	0.4
131.03394	0.6
135.08080	1.2
139.03996	0.5
141.01830	0.7
143.03433	1.9
153.09302	0.5
153.12759	0.9
161.04449	2.7
163.11209	4.0
165.12769	3.2
166.99846	0.7
169.01334	3.9
169.12247	6.3
171.10197	0.8
179.05527	4.1
181.12288	0.8
191.10669	1.3
197.11760	66.3
198.12135	2.4
209.11765	100.0
210.12097	4.6
211.13332	0.6
217.07188	0.5
221.06592	1.1
227.12834	14.1
228.13016	0.4
235.08205	4.3
235.13371	0.6
239.12840	0.6
251.12820	0.7
253.09244	0.5
275.01913	0.9
287.07681	1.7
299.99063	1.2
300.99811	3.3
305.08737	1.5
317.26132	0.4
323.09796	1.0
360.49576	0.4
371.22168	0.6
379.12430	4.1
380.12939	0.6
397.13477	30.6
398.13818	2.6
399.40485	0.4
415.14539	8.9
416.14838	0.5
577.24664	0.5
595.25775	1.0
607.25665	1.3
787.37024	0.6
805.38623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00447	1.9
58.26832	1.4
59.01251	33.4
61.98694	2.4
69.08942	1.7
69.46621	9.2
69.47035	4.2
71.01248	18.8
72.99178	2.2
73.02819	2.0
85.02817	4.2
87.00731	2.1
89.02316	14.7
95.01218	1.7
96.95892	10.6
98.19861	3.8
99.00725	1.3
101.02322	11.5
106.06490	4.0
107.01218	2.0
107.03625	2.6
113.02331	5.9
116.92754	1.8
118.26084	1.6
119.03376	4.9
120.08072	11.9
122.05990	15.3
123.00801	4.4
125.02348	14.0
132.04420	2.3
134.06023	25.6
150.05521	2.3
152.07071	6.1
161.04517	1.4
166.99744	3.2
169.01334	22.5
170.01636	1.9
190.05081	3.6
195.72075	1.8
197.11714	3.0
209.11726	4.3
223.08743	3.7
237.10233	5.9
238.11006	2.0
239.11922	7.3
245.00743	2.0
249.06688	1.5
249.10344	3.3
251.08260	3.0
251.11812	5.0
253.13399	2.1
257.00772	2.0
263.08200	5.3
264.09033	12.1
265.09796	7.5
277.09775	5.5
278.10529	2.8
279.11322	23.5
280.11969	3.2
281.12836	3.0
291.11398	4.6
292.11893	2.8
293.12775	1.9
299.99188	2.0
300.99789	9.9
301.99988	1.8
305.09415	3.9
312.99811	2.9
314.12302	2.0
323.10312	4.2
324.11243	2.2
324.99893	2.0
326.00281	2.5
358.15579	1.7
370.15552	1.6
384.17142	3.3
386.18790	2.8
426.18179	2.2
430.17877	2.1
444.18781	2.5
452.53198	1.9
454.18295	1.9
462.20657	2.0
472.19016	2.5
473.19327	2.6
490.19614	4.0
491.19815	1.8
606.24634	3.7
610.24677	1.9
650.23358	13.9
651.24304	13.2
682.26135	14.8
683.26453	2.7
729.31628	3.4
755.28656	2.3
773.30353	100.0
774.30493	16.3
805.19092	5.2
805.32855	36.5
806.33191	5.2
822.98157	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	804.439
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.98396	0.3
63.43061	0.2
71.01272	0.4
71.20502	0.5
78.95769	1.0
79.95614	0.8
80.96391	2.2
96.95897	0.6
101.02332	0.2
110.67387	0.2
148.99086	0.2
209.11746	1.0
211.13434	0.2
241.01038	0.3
277.21802	0.6
278.21829	0.3
279.23181	0.3
301.00070	0.3
435.84610	0.2
506.00433	0.2
649.20184	0.2
760.36597	0.3
804.39172	2.4
805.39624	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	16.8
61.98695	9.7
63.16941	2.1
71.01254	17.1
71.58165	4.3
72.99181	3.6
73.02816	2.9
79.95583	2.4
80.04978	2.4
83.04885	2.7
85.02825	4.0
87.00747	2.3
89.02315	7.3
89.19695	2.7
90.20607	2.2
94.06503	2.7
95.01255	6.0
96.95891	34.3
96.96868	3.0
97.02825	3.6
101.02299	7.7
107.01264	11.0
107.03652	12.1
113.02290	5.9
115.00196	3.0
116.92740	4.1
120.08071	10.2
122.06006	67.9
123.00807	12.6
123.03155	2.3
125.02336	36.8
126.02664	2.8
132.04477	3.0
134.06010	12.0
139.00284	4.8
139.02655	6.5
145.02798	2.5
149.02406	2.2
150.03052	3.7
152.07074	92.4
160.03970	3.3
165.01797	5.3
166.99748	9.8
168.00380	4.6
169.01337	55.5
170.01712	5.7
173.02229	2.4
175.33488	2.4
177.01839	2.5
181.05011	2.9
188.00647	2.4
195.06549	3.2
197.11752	8.7
203.03343	2.8
209.11758	20.2
210.07913	2.7
223.08720	5.1
224.09518	3.2
225.10451	2.8
227.12822	3.7
229.01341	2.6
237.10213	6.3
239.12047	5.5
241.13539	4.7
247.02386	5.8
251.08197	3.9
257.04456	2.3
263.08237	2.8
264.08954	4.5
265.09753	6.4
273.00339	6.8
275.02017	3.8
276.02249	2.7
277.09708	3.1
279.11346	16.0
283.10757	3.2
285.12424	3.0
287.09198	4.4
291.11505	3.7
295.10968	4.7
299.98959	5.8
300.96594	3.7
300.99817	21.0
302.00085	4.4
307.10764	3.7
323.10471	3.1
325.11917	5.0
339.13510	5.6
341.10156	5.1
344.14157	4.7
355.12753	3.1
359.16449	4.3
360.17096	8.4
384.17453	3.4
386.15115	5.9
397.13751	4.5
402.18268	12.0
415.14456	3.0
416.15851	3.0
428.15808	3.9
442.86462	3.0
444.19336	5.1
448.18652	10.7
460.18533	7.6
488.18289	5.8
489.18741	4.4
504.21466	10.4
507.47226	2.9
520.20837	15.7
525.24829	11.0
551.23071	6.7
567.25909	10.7
593.24829	11.3
611.25079	31.4
612.25244	4.3
625.26642	100.0
626.26910	14.3
643.27679	62.2
644.27954	8.0
685.28577	4.5
773.30060	4.0
805.26965	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	803.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.2
59.01253	4.8
61.98696	2.5
65.82453	0.7
65.82838	0.7
68.66260	0.7
71.01257	3.6
73.02827	0.7
78.95776	1.6
79.95600	1.1
80.96389	3.8
83.01228	0.8
85.02827	1.1
89.02304	3.4
94.97939	1.6
95.04897	1.0
98.19746	1.7
101.02321	3.8
109.06487	0.9
111.08054	7.5
113.02335	1.6
113.09608	0.8
114.63243	0.8
135.14714	0.7
145.04974	0.7
149.09492	0.7
161.04520	1.6
167.10667	1.4
177.12737	1.9
179.05586	1.3
179.10629	1.4
187.59387	0.7
192.43675	0.9
195.13838	11.6
196.14177	0.7
203.65698	0.9
207.21356	0.8
211.13400	1.7
223.07137	0.8
223.13338	6.1
235.08154	3.1
247.20651	1.7
253.09232	16.7
256.13162	1.1
275.20157	3.3
277.21664	2.1
279.23029	0.7
291.19662	100.0
292.19980	8.3
293.21231	77.8
293.26096	1.2
294.21490	5.3
328.39154	0.7
409.43649	0.7
470.99655	0.9
471.06781	0.8
511.80930	0.8
527.28516	6.4
529.30707	0.9
543.74091	0.8
597.05389	0.8
803.41882	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	803.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.3
58.00471	1.1
59.00950	1.0
59.01251	18.7
61.98706	1.4
66.03060	0.7
69.03329	2.9
71.01254	25.6
71.04895	1.1
71.56567	1.2
72.99180	2.3
73.02823	3.9
75.00757	0.8
78.95778	2.9
79.95620	1.6
81.03329	2.3
81.27217	0.7
83.01266	3.3
83.04898	3.2
84.02058	1.5
85.02824	6.2
87.00764	4.6
87.04387	0.8
89.02315	12.1
89.46280	0.7
95.01254	2.1
95.04897	1.9
96.95892	33.6
96.96864	2.0
97.02838	4.7
97.06480	7.2
99.00758	1.8
99.04417	0.9
101.02326	12.7
107.01260	0.9
109.02818	0.9
109.06467	4.9
111.04414	0.8
112.24673	0.8
113.02332	8.5
119.03374	3.4
123.00740	0.8
125.02339	4.6
125.09612	5.0
127.11145	2.4
131.03371	0.8
133.01321	1.3
133.04968	2.1
135.08057	1.2
137.09631	1.4
141.01678	0.8
143.03371	2.2
145.04979	1.7
150.43994	0.6
151.11183	0.9
155.10693	1.8
161.04488	5.1
163.00227	0.8
163.11179	7.3
165.09163	0.8
165.12740	1.6
166.99759	1.0
167.10757	1.6
169.01352	3.1
171.10184	46.4
171.94119	0.7
172.10521	2.0
179.05530	2.8
181.12212	3.2
183.13824	7.6
185.11772	2.4
189.09100	1.0
191.10762	1.8
193.12276	9.1
194.12691	0.8
197.11714	2.0
197.15436	1.0
199.13353	1.9
200.47957	0.6
201.11264	18.3
202.11531	0.8
207.10208	14.8
209.11774	36.6
210.12065	2.1
211.13336	100.0
212.13684	6.2
215.12793	1.5
221.06558	0.9
223.13297	1.2
225.11295	29.4
225.14799	10.1
226.11874	2.1
227.12827	3.1
235.08237	9.4
236.08667	0.8
241.14417	13.4
242.14938	1.0
243.12343	1.8
243.16003	4.7
253.09245	17.2
253.14304	0.7
263.07745	0.9
286.67743	0.7
291.19696	1.6
295.10397	1.3
300.99814	1.3
321.20950	1.0
323.22318	1.0
341.23309	73.0
342.23651	6.0
357.26022	0.9
379.12646	3.8
397.13504	19.7
398.14035	0.8
407.18903	0.8
415.14713	4.6
443.19131	0.8
461.20303	5.7
495.33432	1.0
591.26532	2.3
609.27686	3.8
785.42285	3.1
803.43146	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.5
58.00470	1.2
59.01253	14.9
61.98705	1.0
69.03319	1.9
69.24055	4.5
69.24476	0.7
71.01256	26.1
72.01576	0.5
72.99178	1.3
73.02827	2.5
75.00745	0.6
78.95770	1.5
81.03323	1.7
83.01256	2.9
83.04897	2.4
84.02048	0.8
85.02827	4.2
87.00758	3.6
88.98729	0.5
89.02322	10.2
95.01260	1.3
95.04929	1.5
96.95892	18.6
96.96870	1.6
97.02821	3.1
97.06445	3.3
98.19827	1.0
99.00739	0.9
101.02331	11.2
109.06483	2.8
110.03672	0.5
111.00745	0.7
111.04357	0.9
111.08067	0.7
113.02338	5.5
119.03377	2.6
122.36962	0.5
123.00769	1.0
125.02328	4.7
125.05957	0.5
125.09613	2.7
127.11221	1.2
128.90062	0.9
131.03426	0.6
135.08000	0.6
143.03426	2.2
145.04987	0.8
155.10678	1.2
155.18304	0.5
161.04486	3.4
161.09633	0.6
163.11215	3.8
165.12772	1.6
167.10626	0.6
167.14444	0.6
169.01347	2.2
171.10196	25.4
172.10522	1.0
179.05521	2.1
181.12262	1.5
183.13853	7.9
185.11763	1.6
189.09135	0.7
193.12300	6.2
197.11804	1.0
201.11270	9.0
207.10211	9.0
208.10555	0.6
209.11780	16.1
210.12137	1.2
211.13350	100.0
212.13684	6.1
215.12885	1.3
221.06691	0.7
221.11934	0.6
223.13249	0.6
225.11299	17.5
225.14772	5.9
226.11728	1.3
226.15230	0.5
227.12852	1.7
235.08177	6.5
239.12852	0.5
241.14417	5.0
243.12325	1.7
243.15956	2.8
253.09282	9.1
253.14420	0.8
277.09201	0.5
291.19672	0.8
295.10284	0.5
299.98798	0.5
300.99808	1.5
305.08804	0.7
321.20618	0.8
323.09714	0.7
323.22305	0.6
341.23303	35.4
342.23633	3.9
379.12473	3.9
397.13531	21.3
398.13837	1.5
405.26407	0.5
407.19366	0.6
415.14615	4.8
443.19168	1.0
452.02945	0.9
461.20120	3.3
479.20789	0.8
495.33664	0.8
591.26245	2.5
609.27594	3.7
610.28247	0.5
785.42242	2.9
786.42450	0.7
803.41431	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47600	3.8
59.01243	18.9
61.98693	17.2
69.48368	39.8
71.01254	45.1
71.39118	4.4
71.58149	4.1
78.95779	12.4
78.98471	8.3
79.95603	39.7
80.95975	6.6
80.96399	85.3
81.03336	7.6
83.02876	3.8
84.02062	4.6
85.02827	9.7
85.36050	4.1
87.00762	5.5
89.02332	10.4
94.97966	17.6
96.95882	60.3
96.96851	5.7
97.02825	7.0
97.06489	3.9
101.02337	15.4
109.06462	12.3
110.65374	4.7
113.02293	9.2
113.43414	4.6
125.02363	20.2
125.09649	10.6
134.97456	5.4
135.08060	5.4
152.98506	7.0
158.62906	4.2
163.11182	7.8
164.98552	12.9
165.12534	3.9
169.01347	11.6
171.10220	28.1
181.12206	5.8
185.11708	5.8
197.11690	15.4
198.12117	5.3
201.11217	7.7
207.10249	27.3
209.11786	81.1
210.12115	7.1
211.13342	51.9
215.12888	6.6
225.00655	24.4
225.11247	26.0
227.12799	13.1
235.08176	7.7
253.09320	29.1
273.17056	16.6
274.17380	12.7
275.17682	6.7
289.17996	15.6
291.19763	22.7
300.99689	13.6
307.19049	9.7
309.20804	30.3
310.20880	8.2
343.48904	5.9
397.13394	10.2
803.38708	100.0
804.39355	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	803.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.3
58.00459	0.5
59.01254	9.3
61.98692	0.6
69.03336	1.2
70.43728	0.8
71.01257	10.1
72.99181	0.7
73.02823	1.8
75.00771	0.2
78.95764	0.4
79.95638	0.2
80.02608	0.2
81.03339	0.3
83.01266	1.1
83.04906	0.6
85.02824	2.2
87.00756	2.5
88.98717	0.2
89.02321	8.1
91.40597	0.2
93.03334	0.2
95.01272	0.9
96.95892	4.7
96.96840	0.4
97.02840	1.3
99.00765	0.8
101.02331	8.1
101.03008	0.4
109.02820	0.3
111.04430	0.4
113.02330	4.1
114.93268	0.5
119.03403	2.2
121.02858	0.4
123.00781	0.3
125.02351	3.5
129.01843	0.2
131.03394	0.3
133.04936	0.3
139.03938	0.3
143.03418	1.2
149.04509	0.2
151.03928	0.2
155.10721	0.3
161.04448	1.5
163.11255	0.2
165.12692	0.4
166.99828	0.3
167.03496	0.3
167.10736	0.3
167.14336	0.5
169.01318	0.5
169.12257	0.2
171.10178	0.7
179.05539	2.3
181.12225	0.3
183.13838	7.6
184.14180	0.3
193.12288	1.9
197.11606	0.3
199.06145	0.3
207.10123	0.4
209.11804	1.6
211.13344	100.0
212.13687	5.0
217.07190	0.6
221.06628	0.9
225.11238	0.4
225.14873	0.5
227.12903	0.2
235.08232	3.0
241.14439	0.5
245.06680	0.4
253.09343	0.7
253.14540	0.4
259.08206	0.4
263.07632	0.3
287.07693	1.0
300.99777	0.4
305.08710	0.9
323.09848	0.6
341.23346	0.9
357.26633	0.4
379.12442	4.1
380.13104	0.3
397.13519	20.2
398.13800	1.3
405.26431	0.4
415.14594	5.1
415.19876	0.5
416.14713	0.3
591.26624	3.1
592.26953	0.3
609.27643	3.8
610.28430	0.4
654.74500	0.2
785.39233	0.9
786.40082	0.3
803.39734	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	4.8
61.98704	58.0
71.01247	5.1
71.57063	2.1
71.57419	1.5
75.00735	2.0
78.91758	35.0
78.95771	3.5
79.95607	50.7
80.96393	79.9
83.04913	2.3
87.00749	1.4
89.02319	1.9
94.97959	1.9
95.95081	2.0
96.95891	48.6
100.89549	1.1
101.02303	3.5
109.06466	2.8
113.02350	1.4
122.97504	1.3
125.09592	2.0
152.98450	1.2
156.29195	1.1
163.11203	2.1
164.98563	1.6
165.12845	1.4
179.62074	1.4
181.12346	1.2
192.32001	1.1
207.10147	3.5
209.11752	17.5
211.13338	4.5
225.00700	3.6
225.11243	2.0
247.09431	6.2
253.09183	1.6
277.21756	30.2
278.22226	2.2
397.13223	2.0
457.69937	1.7
525.16705	1.7
785.37677	5.0
803.38959	100.0
804.39282	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	802.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.4
61.98704	100.0
67.22887	0.2
71.01253	0.4
78.95783	0.7
79.95604	3.2
80.96390	4.1
87.00747	0.2
88.17269	0.2
94.98009	0.4
95.50240	0.2
95.95121	0.2
96.95900	1.8
97.02862	0.2
101.02313	0.3
104.10733	0.2
109.06454	0.3
125.02326	0.2
134.97482	0.2
148.99071	0.2
164.98563	0.3
185.20279	0.2
207.10263	0.7
209.11829	0.7
209.67004	0.2
211.13310	0.5
219.09998	0.3
225.00778	0.6
225.11266	0.4
229.50578	0.2
247.09441	1.8
277.21716	1.5
293.21371	0.3
295.22760	0.2
465.17596	0.3
483.18616	0.4
714.87787	0.2
785.38593	1.0
803.38916	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	803.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.5
58.00474	0.8
59.01253	13.3
59.65771	0.5
69.60983	4.6
71.01253	15.1
73.02814	4.6
83.01263	2.3
85.02822	6.0
87.00753	0.6
89.02321	7.8
91.46630	0.6
95.01245	1.8
99.00740	1.7
101.01695	1.0
101.02328	14.5
113.02330	6.0
113.69098	0.6
115.23369	0.6
119.03358	2.8
123.08040	1.5
125.02357	1.8
134.72385	0.6
159.02870	0.6
161.04405	0.7
169.01303	1.4
177.12798	3.4
195.13841	1.9
209.69337	0.7
221.11789	3.7
275.02054	1.0
308.66183	0.6
336.38516	0.6
365.63971	0.5
398.57324	0.6
401.18161	100.0
402.18439	9.3
414.04907	0.6
653.35449	0.7
680.92059	0.6
834.48114	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.2
61.98704	100.0
62.98409	0.1
71.01257	0.3
78.95811	0.2
79.95610	0.2
80.55024	0.1
80.96398	0.5
87.55172	0.1
99.14568	0.1
100.85904	0.1
102.74545	0.1
109.06438	0.1
112.81325	0.1
125.02352	0.2
126.51633	0.1
163.11069	0.1
164.66582	0.1
165.25581	0.1
169.01364	0.2
171.10136	0.1
209.11778	0.3
211.13356	0.6
225.00720	0.1
225.11269	0.1
256.46307	0.1
293.21317	0.1
295.22672	0.2
310.97342	0.1
327.21628	0.1
365.20874	0.1
397.13693	0.1
562.36444	0.1
802.49115	0.3
803.39331	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62445	0.2
58.22716	0.2
61.98705	100.0
71.01245	0.2
71.49092	0.3
75.00748	0.4
78.91782	0.3
78.95801	0.6
79.95644	0.3
80.96400	1.0
110.53642	0.2
115.45348	0.2
152.99521	0.3
207.10246	0.2
209.11806	3.1
210.12190	0.7
211.13347	0.5
225.00854	0.3
227.12805	0.5
253.09181	0.3
277.21719	2.3
278.22186	0.7
302.17346	0.2
460.23685	0.3
642.76251	0.2
802.42261	0.3
803.38879	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97701	0.2
56.70531	0.2
58.44535	0.2
59.01232	0.2
61.98702	100.0
66.35859	0.2
70.13116	0.8
71.01249	0.2
75.00742	0.2
78.95791	0.7
80.96384	0.5
91.30773	0.2
99.94486	0.2
165.64511	0.2
209.11774	3.5
210.12167	0.8
211.13307	0.5
227.12856	0.5
233.99690	0.2
253.09390	0.4
277.21722	2.7
278.22040	1.1
278.67288	0.2
293.24979	0.4
385.14758	0.2
519.86322	0.2
520.50403	0.2
610.32935	0.2
801.42792	0.3
802.43372	0.5
803.40259	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.1
61.98705	100.0
70.29585	3.6
70.29980	3.3
71.01270	1.7
78.95782	5.6
80.96408	2.4
152.99471	1.8
169.01338	1.5
201.11270	3.7
209.11797	6.3
225.00792	1.9
235.08347	1.6
253.09283	2.9
277.21689	14.4
278.22028	2.5
567.08246	2.1
625.54657	1.6
801.37720	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	801.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	5.9
59.47588	1.8
61.98706	100.0
62.81660	1.8
70.15798	1.7
71.01271	2.9
78.95789	3.7
80.96403	4.0
88.50156	2.0
98.20604	3.7
101.02344	1.8
107.63313	2.1
171.10046	2.8
177.56882	1.9
201.11278	10.4
209.11798	20.1
226.90576	1.9
227.12877	2.6
235.08061	2.8
277.21722	27.4
289.17944	4.7
293.21127	3.8
339.22183	1.9
566.25293	2.0
801.37219	3.3
822.01685	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	801.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	4.7
58.00474	3.2
59.01254	60.3
60.74920	1.6
61.98703	7.5
65.03837	3.0
66.39269	1.9
66.81010	2.0
69.03328	6.5
69.36060	15.5
69.99284	1.6
71.01254	57.1
72.99176	6.6
73.02814	7.2
78.95800	3.1
83.01272	5.8
83.04893	10.4
85.02829	12.9
85.06487	2.0
87.00746	13.1
89.02322	40.9
93.03363	2.8
95.01289	6.5
96.95882	12.2
97.02835	8.8
97.06461	5.2
98.19796	3.7
99.00759	4.7
101.02328	30.5
107.01278	6.0
107.82872	2.0
109.02872	2.2
109.06480	5.1
111.00731	2.1
111.08047	3.8
113.02318	21.4
116.91167	2.0
119.03394	9.4
123.00788	6.8
123.08025	2.6
124.01576	2.1
125.02351	27.6
125.09633	17.5
126.90302	3.9
137.09633	2.3
139.00276	3.0
139.03894	3.0
143.03389	3.2
154.57410	1.9
161.02376	1.9
161.04454	9.0
163.00282	1.9
163.11197	3.1
166.99780	7.3
169.01344	21.6
171.10191	44.1
172.10515	2.2
179.05554	17.3
183.13806	2.3
189.16406	2.7
205.15923	5.4
209.11786	25.4
211.13342	27.7
214.99908	3.0
215.14339	10.3
217.07344	2.5
219.10332	1.9
221.06682	7.7
221.15457	4.8
231.13846	4.2
233.15421	49.4
233.17722	2.6
234.15880	2.3
235.08365	4.2
247.02341	2.6
249.14885	20.4
251.16605	2.7
253.09296	1.8
263.07736	2.5
270.99191	2.0
273.00629	2.8
273.15005	1.8
287.02689	2.2
298.98264	4.1
299.99063	5.1
300.99899	10.7
331.26486	3.3
341.24780	3.8
359.25864	2.7
367.22784	3.9
375.25385	2.9
379.12427	6.0
385.23877	22.6
386.23926	3.1
397.13495	32.4
403.24878	48.4
404.25024	3.8
415.14432	6.4
421.25946	28.0
720.47015	2.1
783.38123	100.0
784.38409	17.8
801.39160	75.8
802.39301	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	801.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47726	2.7
59.01256	34.8
61.21518	2.8
61.98705	13.6
63.96123	3.7
68.99702	3.1
69.03319	3.9
69.40113	22.0
71.01260	35.3
72.76086	2.8
72.99193	2.8
73.02831	12.5
73.50433	2.7
76.01405	2.4
78.95757	4.9
79.95623	13.2
80.96391	68.2
83.01266	7.5
85.02824	12.5
87.00737	7.2
89.02315	15.6
90.55641	2.8
93.03348	3.6
94.97948	13.6
95.01259	7.7
96.95892	12.2
97.02842	3.6
99.00739	2.8
101.02338	16.4
102.09433	3.1
106.06515	6.0
106.97969	4.0
107.01283	11.6
108.04446	5.2
113.02354	11.9
116.04940	6.6
119.03405	4.7
120.04422	4.4
121.02879	4.7
122.06000	8.3
122.97520	3.9
123.00798	14.3
125.02332	51.2
130.02859	7.1
132.04469	8.9
134.06013	44.9
134.97484	5.1
136.07574	3.7
139.00272	4.5
143.03484	3.8
146.06064	3.0
148.03964	5.9
148.99045	5.0
150.05537	5.4
151.00262	5.3
152.07076	5.4
152.98524	5.6
158.02370	18.9
159.80699	3.7
160.03943	30.3
161.02367	5.3
161.04446	4.1
162.05609	3.2
163.00256	4.9
164.98552	12.9
166.99744	16.2
168.00569	3.9
169.01338	54.9
172.04015	3.3
174.05511	3.6
176.03450	7.6
177.01826	3.4
178.34224	3.5
178.99738	2.8
179.05562	4.4
186.09189	3.9
190.05035	41.2
192.06558	21.2
198.09151	6.7
209.11775	23.7
210.11951	4.4
211.13333	6.9
212.06023	3.7
214.07465	3.0
214.12329	3.9
217.01530	4.4
225.00725	18.6
225.06706	3.8
227.08229	6.7
229.09715	24.1
239.08221	3.7
240.10349	4.2
241.09749	28.2
242.10533	7.5
249.10428	4.1
255.11279	3.5
257.00656	4.3
257.12973	22.3
262.07346	3.7
270.98874	3.5
275.02078	5.9
277.06241	6.0
277.09763	11.4
281.09329	22.9
283.10910	54.2
293.09454	5.4
298.98279	3.5
299.99042	7.2
300.99847	29.7
301.03531	17.1
301.11859	5.4
302.00497	3.2
305.09271	21.0
307.10941	8.7
309.08792	11.7
314.12500	6.7
323.10269	4.1
337.11942	32.5
338.12180	4.6
339.13461	9.5
343.12909	9.6
373.14075	6.5
397.13629	7.5
403.14990	16.1
452.02777	5.7
485.15408	8.2
487.16968	10.0
517.18170	20.6
518.18420	4.5
519.19849	22.4
568.23169	11.3
571.19312	5.4
579.01447	2.8
725.28265	10.5
726.27417	6.0
769.27142	100.0
770.26721	13.5
801.34344	63.6
802.33270	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	801.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32948	2.6
59.01251	27.7
69.03335	3.9
69.37304	28.4
71.01250	32.2
73.02812	8.3
83.01264	3.3
83.04899	5.0
85.02840	11.9
87.00772	3.8
89.02317	18.8
95.01280	5.4
96.95891	5.8
101.02329	15.4
106.06527	4.2
107.01307	3.8
108.04418	4.8
113.02334	8.6
116.04932	5.8
119.03381	5.7
120.04400	3.2
121.02827	3.0
122.06019	11.5
123.00777	10.5
125.02332	21.4
130.02881	7.2
132.04413	7.2
134.06024	45.4
136.07565	6.6
136.12581	3.3
139.00290	3.2
147.03194	3.6
148.03970	4.9
149.04607	4.0
150.05518	3.6
152.07097	7.6
158.02365	20.3
160.03951	33.3
161.02409	3.4
161.04489	4.6
166.99759	9.3
169.01308	30.4
174.05441	3.8
176.03447	8.0
190.05048	49.5
192.06592	22.7
200.06006	3.2
204.49332	2.9
206.19310	3.2
209.11839	32.5
210.12143	16.2
211.12341	5.3
214.12427	3.9
226.07361	4.5
227.08194	4.9
229.09743	36.8
239.08290	3.6
241.09831	26.9
242.10492	6.5
243.11208	2.9
249.10316	4.6
253.09656	3.0
255.11273	4.1
257.12924	26.4
267.07797	5.3
268.08359	4.4
277.06314	5.2
277.09784	10.1
281.09341	24.1
283.10870	52.5
284.11334	3.3
300.99942	12.0
301.12061	4.5
305.09372	20.8
307.10880	7.3
309.08762	8.5
309.12256	4.3
313.62622	3.0
337.11923	36.2
338.12732	3.6
339.13608	8.6
343.12961	9.6
373.14005	4.2
398.06027	3.0
403.15369	17.3
471.24268	3.3
485.15665	10.9
487.17343	10.6
499.16946	4.3
509.25137	3.4
517.18195	13.7
519.19824	21.1
520.20428	4.4
568.23053	10.7
571.19110	6.2
725.28223	7.0
769.27271	100.0
770.27155	22.9
801.29877	46.2
802.30072	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	801.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18171	2.1
59.01255	32.2
59.14280	2.2
61.98686	6.0
66.29610	2.0
69.41679	20.7
71.01255	27.3
72.99190	3.6
73.02819	7.8
81.03355	2.4
83.01234	5.1
83.04891	4.1
85.02828	7.2
87.00755	7.0
88.98684	2.5
89.02303	17.9
90.02617	2.2
93.03359	2.5
95.01283	3.2
96.95898	7.4
99.00766	2.8
101.02328	15.7
104.04919	3.2
106.06506	4.9
107.01294	4.9
108.04429	4.0
113.02325	9.4
116.04942	6.9
119.03382	4.7
120.04507	2.7
122.06003	9.2
123.00785	8.3
125.02341	17.4
130.02882	5.4
132.04445	5.0
134.06018	38.6
136.07600	4.0
146.05983	3.7
147.03181	3.5
148.03970	4.7
150.05573	3.5
152.07074	5.7
156.04475	2.7
158.02390	19.4
160.03963	33.0
161.04483	4.5
166.99789	8.9
169.01349	24.9
172.04005	4.4
174.05548	4.9
176.03442	7.5
183.85445	2.2
186.09177	2.8
190.05014	50.5
192.06599	25.1
198.09114	4.3
204.06592	3.5
209.11755	40.5
210.09171	4.0
210.12125	18.8
211.13379	2.3
214.07524	3.9
225.06631	5.2
227.08134	3.7
229.09755	37.5
233.10721	2.2
237.10426	3.0
239.08205	4.9
240.10268	4.6
241.09767	27.6
242.10471	5.7
253.09877	2.8
255.07683	2.9
255.11369	6.4
257.12909	20.4
267.07559	4.1
268.08392	2.6
273.00327	2.9
275.02115	2.4
277.06143	6.7
277.09860	6.4
279.08057	2.3
279.11234	4.1
281.09341	21.0
283.10873	40.6
284.11188	3.3
285.12567	4.7
291.07922	2.8
292.08511	3.0
293.09250	3.8
299.98892	3.6
300.99954	17.5
301.11816	5.9
305.09369	21.7
307.10907	9.4
309.08774	7.0
314.12598	3.6
322.09381	2.4
325.12042	3.1
337.11951	35.6
338.12497	3.1
339.13602	6.2
343.12946	10.3
355.13190	3.5
373.13898	6.7
397.13718	4.7
398.14310	2.4
400.13242	2.4
403.10770	2.3
403.15240	17.4
463.16620	3.1
485.15747	10.5
487.17294	10.0
517.18323	22.8
519.19818	23.9
568.23047	8.9
571.19434	10.0
573.20862	3.2
681.27075	2.6
725.28113	8.4
726.26807	6.6
769.27234	100.0
770.27521	20.7
801.29425	51.4
802.29938	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	800.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.3
61.98704	100.0
71.01270	0.3
71.56761	0.3
71.57152	0.3
73.01930	0.2
78.95783	0.5
80.96421	0.4
96.95895	0.3
98.41354	0.2
99.31123	0.2
123.00749	0.3
125.02360	0.8
128.02904	0.2
132.22411	0.3
164.98619	0.3
169.01398	1.1
185.11737	0.2
197.11783	0.6
207.10213	0.3
209.11914	0.7
211.13374	0.9
291.19568	0.4
293.21112	0.5
300.99890	0.8
309.20718	0.4
568.26990	0.3
800.46582	0.3
801.36890	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.5
61.98705	100.0
70.13345	0.5
70.13754	1.0
71.01260	0.4
80.13827	0.3
80.96387	0.4
95.76167	0.3
125.02363	0.6
160.65199	0.3
169.01360	1.2
185.75298	0.3
197.11766	0.4
203.03464	0.3
209.11864	0.9
211.13335	0.6
277.21906	0.3
293.21198	0.6
294.79550	0.3
301.00052	0.9
309.20984	0.5
486.42239	0.3
530.82806	0.3
632.78754	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67294	1.1
59.07045	1.1
61.50432	1.0
67.01754	1.7
67.65211	1.0
67.72564	1.5
69.23174	2.9
69.23573	11.2
69.96411	1.1
77.41779	1.0
78.99699	1.1
79.04146	1.0
83.01243	1.6
95.01244	3.6
96.95876	1.2
109.11752	1.2
111.00759	4.6
112.43603	1.2
113.02237	1.3
119.05035	1.2
121.02870	1.3
123.00797	5.4
125.02344	15.5
139.00249	4.9
140.01135	1.2
145.02846	4.1
147.04321	1.3
151.00336	1.2
154.32292	1.1
157.02869	1.7
161.02374	3.9
165.01855	1.7
166.99800	5.5
169.01337	20.4
173.02386	4.2
175.00116	1.2
175.03798	1.8
177.01855	2.4
184.00015	1.4
185.02324	2.6
187.00226	1.6
189.01843	5.0
191.03365	2.5
199.00330	1.4
201.01863	5.2
203.03403	3.5
203.92369	1.0
205.01433	2.4
207.02995	1.2
211.02432	1.3
214.42987	1.2
217.01422	5.3
219.02867	2.5
221.01025	1.1
226.99817	1.9
229.01355	8.4
230.01871	1.7
231.02962	3.7
242.99338	3.2
245.00909	9.7
247.02383	4.8
257.00882	3.5
261.00397	2.8
270.98810	4.2
271.04724	1.8
273.00409	9.8
275.02032	15.7
276.02463	1.3
283.99698	1.5
288.99832	1.6
291.01529	2.6
298.98288	5.1
299.99088	6.9
300.99902	100.0
302.00259	9.3
315.98587	4.1
316.99390	77.1
317.99664	5.5
400.41122	1.2
445.04044	3.4
461.03568	2.4
463.05157	4.6
582.38391	1.4
597.04865	3.1
615.06238	7.7
616.06519	1.6
633.07410	20.7
634.07733	2.7
719.60724	1.5
765.05389	1.6
801.07928	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	800.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.2
61.98703	100.0
62.98389	0.2
70.89528	0.5
74.09780	0.2
75.00719	0.2
78.95773	0.4
80.96410	0.3
96.35582	0.2
96.95901	0.2
97.02862	0.2
98.22885	0.1
108.85514	0.2
111.14061	0.2
124.65308	0.2
125.02385	0.3
169.01384	0.5
197.11833	0.4
207.10239	0.4
209.11742	1.3
210.12148	0.3
211.13380	0.7
212.13655	0.3
227.12881	0.2
239.12914	0.6
253.09349	0.4
293.21185	1.2
294.21603	0.6
301.00055	0.5
309.20883	0.3
340.69537	0.2
400.07877	0.2
801.37006	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	18.6
61.13310	0.5
71.01252	2.4
73.02819	0.8
75.00739	0.6
79.95599	0.6
80.96400	3.6
85.02827	0.7
87.00739	0.6
87.76365	0.5
89.02311	1.6
94.97958	1.2
101.02319	2.3
113.02322	1.1
161.04410	1.0
183.13828	6.5
193.12193	1.4
211.13345	100.0
212.13673	5.0
225.00647	1.2
235.08249	3.3
253.09247	6.5
277.21732	68.9
278.22125	6.0
429.21350	1.2
447.22495	5.9
513.30615	1.1
568.17334	0.6
709.38788	0.9
762.45801	0.6
799.43329	2.6
800.43829	0.5
823.31329	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	18.5
61.98686	2.0
70.17490	2.4
70.17899	1.8
71.01254	4.4
73.02832	1.0
75.00768	2.0
78.95741	1.4
78.98466	1.1
79.95616	2.5
80.96393	13.9
82.95964	3.7
87.00754	1.1
89.02303	2.4
94.97950	2.3
96.97543	1.4
101.02312	3.1
113.02341	1.4
115.88964	0.8
118.12197	0.8
134.97467	2.0
148.99043	1.4
161.04408	1.3
164.98599	2.0
183.13811	6.7
193.12299	1.4
211.13338	100.0
212.13666	3.4
225.00722	3.7
235.08153	2.8
253.09303	7.5
277.21710	67.0
278.21988	4.1
293.24814	1.3
429.21210	1.6
447.22394	5.9
448.22366	1.1
513.30542	1.2
557.48944	0.9
709.38269	3.7
781.40192	1.3
799.43671	14.6
800.43890	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.4
71.01248	1.0
71.56837	0.4
72.99182	4.0
75.00746	100.0
76.01067	0.5
78.95775	7.3
78.98479	0.3
79.95604	1.3
80.96390	8.1
83.04890	0.8
85.02804	0.3
94.97953	1.4
96.96847	2.1
101.02325	0.6
106.97942	0.3
107.52840	0.3
107.56477	0.3
109.45607	0.3
122.97494	0.4
125.02354	0.3
125.09669	0.3
127.11159	0.5
134.97523	0.5
148.98976	0.3
152.99500	1.3
164.98549	1.4
171.10233	0.4
181.45479	0.3
201.09381	0.2
201.11252	5.1
206.99712	0.4
209.11766	11.8
210.12073	0.8
223.00049	0.4
225.00662	1.9
227.12860	1.8
235.08165	0.6
241.01184	3.1
253.09274	1.3
255.23256	3.6
277.21729	13.2
278.22110	0.9
330.04547	0.3
709.27063	0.3
709.38605	1.7
763.40137	0.3
781.40668	2.9
782.41266	0.6
799.42200	11.3
800.42621	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	799.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.4
70.18281	1.2
70.42575	0.2
71.01257	0.9
72.99188	4.0
75.00748	100.0
76.01093	0.9
78.95775	5.2
78.98473	0.4
79.95605	0.7
80.96394	4.1
83.04903	0.5
89.02332	0.3
94.97955	0.7
96.96841	1.0
99.74866	0.3
106.58405	0.2
106.97981	0.3
125.02274	0.3
125.09630	0.3
127.11212	0.3
151.32588	0.3
152.99483	0.8
156.63339	0.3
158.54744	0.3
163.11143	0.5
164.98595	0.8
171.10193	0.4
201.11244	3.1
206.99582	0.4
209.11781	14.5
210.12146	1.2
225.00716	1.6
227.12868	1.8
241.01164	1.9
253.09273	1.0
255.23314	2.3
256.23618	0.5
277.21747	7.3
278.22043	0.6
407.53238	0.3
445.20822	0.3
495.76245	0.3
709.38098	0.5
781.40295	2.3
782.41376	0.4
799.42145	7.7
800.42871	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	799.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	17.9
61.98712	30.9
71.01265	12.9
71.15054	6.5
71.19406	7.0
71.19735	12.3
74.50027	5.9
93.30629	6.1
96.95882	7.3
97.61295	6.1
101.02328	7.3
104.94505	5.7
125.02336	17.6
125.09657	7.6
132.88191	6.8
142.78987	7.0
144.93509	6.4
147.22147	7.3
163.11237	9.3
169.01387	31.6
171.10152	14.4
183.13858	7.8
195.13737	13.1
199.13312	17.9
209.11766	100.0
211.13364	58.4
223.13333	8.2
227.12791	19.4
235.13133	6.1
237.71071	6.6
239.12782	10.7
253.09229	27.7
259.71979	6.8
275.20175	9.6
291.19626	22.0
293.21228	92.5
300.99933	26.6
309.20935	11.2
341.23331	8.4
799.51666	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	799.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92807	2.1
57.83109	2.1
59.01252	13.9
61.98702	59.3
66.83904	2.7
69.03341	2.9
71.01258	7.2
71.56602	3.3
78.95782	2.9
80.96393	2.3
83.04929	2.4
89.02328	4.7
92.57100	2.6
96.95839	4.5
101.02318	5.3
111.08047	5.6
113.02290	4.1
125.02348	4.4
169.01379	5.8
183.13766	6.0
197.11757	31.8
199.13219	3.7
207.10335	3.5
209.11763	25.4
211.13345	100.0
212.13681	3.7
227.12909	5.5
245.00566	2.5
253.09219	17.6
275.20053	2.9
291.19626	17.9
293.21265	25.5
300.99973	5.8
309.20721	40.2
310.21219	3.9
447.22421	4.4
470.97443	2.7
602.38293	3.1
626.20221	2.6
739.43127	3.3
742.19434	2.8
786.77289	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	799.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.4
71.01248	1.0
71.56837	0.4
72.99182	4.0
75.00746	100.0
76.01067	0.5
78.95775	7.3
78.98479	0.3
79.95604	1.3
80.96390	8.1
83.04890	0.8
85.02804	0.3
94.97953	1.4
96.96847	2.1
101.02325	0.6
106.97942	0.3
107.52840	0.3
107.56477	0.3
109.45607	0.3
122.97494	0.4
125.02354	0.3
125.09669	0.3
127.11159	0.5
134.97523	0.5
148.98976	0.3
152.99500	1.3
164.98549	1.4
171.10233	0.4
181.45479	0.3
201.09381	0.2
201.11252	5.1
206.99712	0.4
209.11766	11.8
210.12073	0.8
223.00049	0.4
225.00662	1.9
227.12860	1.8
235.08165	0.6
241.01184	3.1
253.09274	1.3
255.23256	3.6
277.21729	13.2
278.22110	0.9
330.04547	0.3
709.27063	0.3
709.38605	1.7
763.40137	0.3
781.40668	2.9
782.41266	0.6
799.42200	11.3
800.42621	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	799.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	6.1
61.98703	51.9
71.01270	3.8
71.56947	2.8
78.95774	2.4
89.02319	2.8
98.46902	2.2
101.02338	2.5
111.08005	4.8
120.61150	2.0
125.02328	3.9
169.01361	3.1
183.13843	4.8
186.76248	2.0
197.11783	21.7
198.12048	2.3
199.13358	2.6
209.11766	5.0
211.13336	100.0
212.13673	4.8
227.12816	3.8
235.08231	3.1
253.09277	15.7
263.20166	2.8
291.19681	12.3
293.21252	6.2
300.99924	3.9
309.20728	40.8
315.31952	2.2
447.21945	5.0
471.96848	2.2
676.81555	2.6
687.55060	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4227
Annotation	Planktocyclin
Peak:m/z	Relative Intensity
58.08929	0.8
59.01247	2.2
61.60399	0.9
61.98682	1.9
68.14117	0.8
70.76598	0.8
70.87335	0.9
71.01257	5.2
71.05654	2.2
72.99191	1.8
73.02808	1.0
75.00746	16.3
78.95776	56.6
78.98458	3.6
79.95611	9.7
80.02546	1.0
80.96392	50.6
83.04905	2.8
84.02045	0.9
85.02856	1.5
87.00761	1.3
94.97961	8.6
96.95879	1.8
96.96855	11.0
101.02271	1.4
106.97945	1.4
117.06983	1.2
122.97456	2.3
125.02346	1.6
125.09600	2.2
127.11151	3.3
134.97430	2.9
141.05339	0.9
148.99031	4.0
152.98459	2.5
152.99490	10.5
155.10648	1.6
163.11198	3.4
164.98538	8.7
165.09169	1.1
171.10144	2.3
199.09647	1.1
201.11261	36.0
202.11592	2.0
206.99666	2.0
209.11772	36.0
210.12039	2.2
211.13324	3.9
223.00084	3.5
225.00711	13.3
227.12825	3.3
234.50163	1.0
241.01144	25.6
245.13919	1.4
255.23259	25.9
256.23663	2.8
259.02277	2.0
277.21823	6.2
293.21191	1.3
351.96005	1.0
553.27063	1.0
694.34509	1.2
709.38458	17.3
710.38568	2.1
723.43909	1.0
755.39911	1.3
781.40894	17.0
782.40674	2.6
799.42224	100.0
800.42609	17.8
800.59973	1.1
800.62579	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3763
Annotation	Win 66306
Peak:m/z	Relative Intensity
57.03329	1.8
59.01250	35.3
59.75649	1.2
61.98701	9.8
65.03822	5.4
66.06824	1.3
66.24388	1.0
69.03341	3.1
71.01253	33.8
71.49207	2.3
72.99191	5.3
73.02831	4.5
75.00738	1.9
81.03364	1.6
83.01282	3.7
83.04908	2.8
85.02830	7.7
87.00727	6.5
88.98679	5.5
89.02319	19.3
89.56623	1.3
91.05414	3.3
93.03336	1.8
94.97987	3.1
95.01298	1.8
95.04948	1.3
96.95866	5.4
97.02846	3.2
97.06477	2.9
97.38496	1.0
99.00741	1.9
101.02325	17.1
109.06484	2.3
111.04351	1.2
111.08065	1.3
113.02333	10.4
113.71646	1.2
115.05424	3.4
116.92759	1.3
119.03397	3.8
121.02827	1.6
123.00826	2.1
123.08053	2.3
123.54652	1.2
125.02356	9.1
125.09610	12.4
126.90327	2.1
133.10039	1.4
135.08105	1.6
142.99741	1.9
149.06042	1.1
161.04483	2.6
163.11282	1.4
165.05444	1.7
169.01334	6.7
170.01857	1.2
171.86696	1.1
179.05565	4.8
183.88675	1.0
185.11703	1.7
187.09702	3.2
187.14864	6.8
205.10193	1.1
205.12215	2.4
209.11781	14.7
211.13348	2.5
213.12775	5.1
221.06622	5.2
221.15479	1.4
231.13908	16.0
233.11688	1.6
235.13441	1.6
249.15013	2.8
285.18774	1.2
300.99756	6.1
329.24460	1.5
339.23291	4.1
355.22690	1.5
357.24597	1.8
365.21185	2.3
373.23950	3.9
383.22284	10.8
391.25134	1.9
397.13486	7.0
401.23325	20.1
402.23730	2.8
415.14703	1.6
419.24197	7.9
749.08563	1.2
771.37592	1.9
781.36511	100.0
782.36987	19.1
799.37628	21.1
800.38019	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	799.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.2
58.00461	1.4
59.01254	100.0
60.01575	1.9
61.98713	4.9
69.03316	2.3
71.01265	12.0
71.57358	1.7
72.99182	1.0
73.02834	2.3
78.95803	2.4
79.65375	1.4
83.04905	2.0
83.64164	1.1
85.02832	3.5
86.25344	1.1
87.00771	2.1
88.98668	1.9
89.02325	6.5
95.01247	1.8
96.95897	5.1
96.99202	5.3
97.02874	1.8
101.02338	7.1
113.02341	3.4
119.03394	1.6
119.49638	1.1
121.02834	1.3
122.97830	1.2
123.00742	1.7
125.02348	8.1
125.09649	1.8
141.01607	47.9
161.04489	2.0
163.11079	1.9
166.99821	1.2
169.01373	6.1
171.10161	1.4
179.05574	2.1
209.11780	39.7
210.12181	2.3
211.13342	16.3
211.15166	1.5
227.12917	2.7
231.10042	1.5
233.11566	4.7
235.08263	1.4
243.08289	1.1
247.13278	1.5
253.09383	1.4
300.99985	3.7
302.00003	1.2
336.53082	1.1
339.23404	2.2
373.23798	2.3
383.22198	6.0
397.13385	7.7
401.23288	9.3
415.14505	1.7
419.24503	7.3
447.22675	1.8
704.01837	1.3
781.36230	3.8
799.37372	15.5
800.38214	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	15.6
61.98703	3.0
69.56720	8.1
71.01248	3.1
72.99172	2.0
78.95782	3.1
83.01299	1.1
83.04889	1.4
89.02319	2.3
97.06475	1.1
101.02280	2.2
106.36870	1.1
113.02329	2.4
115.07484	1.0
125.02372	5.4
125.09593	2.4
129.21544	1.0
137.09636	1.7
163.11182	3.6
169.01331	5.7
178.64825	1.1
183.13803	6.3
185.11731	3.0
190.33577	1.0
191.14343	2.6
193.12262	1.2
207.10172	1.9
209.11774	9.9
211.00391	1.1
211.13339	100.0
212.13663	5.1
225.11252	1.8
235.08173	3.6
237.11250	1.5
245.19170	4.8
253.09276	8.8
277.21741	1.9
289.18079	30.4
290.18335	1.6
299.41736	1.0
300.99857	4.0
307.19196	25.9
308.19522	1.7
447.22586	3.5
501.32056	1.8
525.27441	1.3
621.32568	2.1
712.86639	1.2
737.42242	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.7
70.55176	1.7
70.55562	3.0
71.01257	1.5
77.49493	1.1
95.01280	1.8
96.95881	1.6
107.04848	1.1
117.03365	3.5
119.04939	2.9
123.00707	3.0
125.02317	4.0
131.04942	1.1
132.02057	1.2
133.02832	2.8
135.04431	7.2
143.01350	0.9
145.02859	7.1
146.03622	1.0
147.04408	4.4
148.01549	1.2
149.02332	4.2
159.00699	1.0
159.04431	1.3
160.01553	2.6
161.02325	4.7
162.03073	1.5
163.03949	11.8
165.01692	1.1
169.01344	5.7
173.02345	4.6
174.03113	2.3
175.03932	3.8
176.01064	1.3
177.01855	1.9
185.99487	2.0
187.00267	3.0
189.01884	3.6
190.02629	4.3
191.03394	3.3
193.01396	1.1
201.01878	3.3
202.99873	2.0
203.03456	3.1
204.00572	2.9
205.01344	4.0
214.99826	3.0
216.00595	7.5
217.01363	7.3
218.02020	1.7
219.03011	6.5
229.01485	1.7
229.98485	3.0
233.00836	2.9
242.99326	2.9
244.00053	1.6
245.00877	8.2
246.01596	7.3
247.02457	72.5
248.02760	3.8
258.98828	7.5
259.99426	1.6
271.99554	1.2
273.00394	13.4
275.02014	3.1
276.02710	2.7
277.03604	5.9
291.01477	100.0
292.01907	5.6
300.99948	4.9
302.00604	5.8
303.01498	7.9
304.01959	0.9
320.01645	4.2
321.02390	5.0
345.04822	1.0
345.99619	7.4
347.00452	10.2
364.00720	2.9
365.01556	4.8
473.03625	2.2
491.04691	5.6
505.06259	64.5
506.06607	3.8
508.34625	1.1
604.43738	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70499	1.3
59.01260	13.6
61.98694	8.7
71.01260	3.3
71.56239	1.2
71.56727	2.2
72.99175	7.9
74.75946	1.4
75.00742	30.5
78.84473	1.5
78.95775	57.0
79.95617	5.9
80.96397	16.7
81.03354	3.1
83.01265	4.1
83.04907	6.4
85.02832	2.0
89.38535	1.4
94.97961	3.1
96.83159	1.4
96.96859	6.3
97.06467	1.6
109.06484	5.1
123.91692	1.6
124.99966	4.5
125.09602	3.6
135.08046	2.6
148.98976	1.8
152.98430	1.7
152.99501	9.6
163.11212	6.6
164.98540	3.0
165.12717	4.6
168.04230	8.6
171.10172	2.8
181.12265	2.3
191.10689	6.7
199.09813	1.4
207.10233	6.6
209.11768	68.3
210.12134	2.3
223.13319	8.9
224.06895	4.5
225.00717	6.7
225.11298	6.7
226.12045	5.0
227.12888	8.6
241.01105	12.2
241.14412	52.2
242.14720	3.9
255.23264	100.0
256.23596	6.2
277.21643	3.2
290.50729	1.6
367.99649	1.8
391.22662	2.2
409.10828	1.7
418.43723	1.6
419.26193	2.5
480.30975	5.9
619.36182	6.4
645.37952	2.7
690.43530	9.3
704.45111	39.2
705.45422	7.6
722.46185	25.5
723.46600	5.7
779.39545	19.3
796.41095	3.5
797.40540	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	795.454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.0
59.01251	24.4
61.98684	1.1
71.01268	4.6
72.16071	0.9
73.52731	0.8
75.00759	1.2
75.01743	0.8
75.07352	1.0
78.95776	3.1
80.02545	1.4
80.96398	1.5
81.03346	2.6
83.01259	1.1
83.04899	9.6
85.02828	10.2
89.02314	3.1
97.02843	1.7
101.02297	5.9
109.06473	3.3
110.03609	1.0
113.02319	2.4
119.03362	1.4
142.02672	2.2
161.04478	1.5
171.10172	6.7
175.11079	1.7
177.12785	8.6
195.13832	3.6
197.11818	1.1
203.10791	1.0
209.11700	1.0
221.11787	94.5
222.12086	5.3
223.13365	1.7
233.22591	0.8
235.08174	3.6
239.12862	47.4
240.13104	1.8
241.01176	1.5
241.10608	1.0
253.09268	10.8
255.23257	1.1
277.21722	100.0
278.22018	8.5
337.79773	0.9
457.21048	4.8
475.21881	12.1
480.18622	1.0
677.02618	0.9
735.43182	11.1
736.43726	2.2
795.40991	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	795.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01064	0.2
58.38092	0.2
59.01239	0.4
60.99177	17.8
68.65900	0.2
69.03343	0.3
69.41943	1.0
69.42360	0.9
71.01254	0.8
72.99190	0.3
87.00751	1.1
88.00269	1.1
88.98677	100.0
89.02318	3.5
89.99026	1.2
91.82949	0.2
95.01231	0.5
107.01267	0.9
113.02282	0.3
116.92748	0.2
123.00771	1.3
125.02337	3.1
137.02235	0.2
139.00232	0.3
145.02783	0.3
166.99745	1.1
168.00432	0.3
169.01321	4.4
170.01643	0.4
171.10164	0.2
183.92987	0.2
187.17534	0.2
201.01938	0.2
201.11313	0.5
207.10219	0.3
209.11755	2.1
227.12900	0.5
245.00803	0.4
247.02466	0.3
273.00366	0.4
275.02023	0.5
298.98434	0.3
299.99063	0.3
300.99890	2.4
301.03125	0.3
302.00305	0.6
303.06604	0.2
397.13580	0.3
443.01251	0.3
447.01169	0.3
451.02289	0.3
452.03406	0.4
675.25250	0.3
689.82666	0.3
795.34747	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19665	1.3
63.02254	1.5
65.00200	2.8
71.57076	2.3
83.01262	3.2
87.59525	1.9
93.00539	1.7
97.02869	1.7
107.01282	8.9
109.02823	8.6
121.02848	7.9
123.00787	3.0
125.02356	12.8
135.04401	17.5
150.39610	1.7
151.00293	26.8
161.02412	2.2
163.00262	3.7
169.01335	17.1
175.00296	1.7
177.01859	8.3
178.99854	12.4
189.01860	3.5
190.02705	2.0
202.99829	3.8
205.01396	2.9
216.74211	1.9
217.01256	1.7
229.04970	1.7
243.02888	4.2
255.02997	13.3
256.03589	1.9
270.99567	2.7
271.02402	22.1
281.04645	2.8
283.02545	5.1
297.03973	3.2
299.11829	1.5
299.99963	1.3
300.02762	53.2
300.99911	8.7
301.03497	100.0
302.03854	5.7
313.05829	2.7
326.04257	11.7
327.05090	17.5
328.05594	1.7
391.87970	1.9
462.06042	2.7
463.08426	18.5
489.10455	4.4
615.09900	63.0
615.19897	3.3
616.10358	4.4
621.52936	1.7
625.12360	2.4
641.11316	7.7
777.13458	20.6
778.13666	2.4
795.14130	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	793.4413
Annotation	A 77003
Peak:m/z	Relative Intensity
59.01248	0.7
63.92987	0.5
63.96113	1.1
71.01254	6.9
73.02822	1.1
78.98465	6.0
79.95606	11.1
80.96394	67.6
81.03333	1.1
85.02826	2.3
87.00749	1.9
94.97960	15.1
96.95890	1.3
97.02837	1.6
99.00765	0.7
101.02316	2.7
106.97952	2.7
122.97482	2.9
124.30640	0.5
125.02335	2.3
127.03857	0.9
134.97488	5.1
136.99078	1.3
148.99063	5.7
150.17267	0.5
152.98543	5.6
164.98541	11.9
174.92361	0.5
206.99638	2.1
209.11790	1.7
225.00711	18.1
234.13405	0.5
283.05426	0.7
334.07819	0.6
505.33817	0.5
509.17017	2.3
565.30383	0.7
570.71411	0.5
608.25958	0.7
713.15503	0.5
727.24323	0.7
793.44153	100.0
794.44452	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	795.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.4
64.43452	1.3
65.00207	1.4
71.01261	2.8
85.02834	1.2
89.02276	1.3
94.17307	1.0
95.01289	1.3
98.20631	3.4
107.01292	3.3
119.04973	1.5
121.02872	1.5
121.99461	1.1
122.97419	1.1
123.00779	6.2
125.02363	11.1
133.02875	3.6
135.04405	6.8
139.00276	1.6
145.02769	1.2
147.04465	1.5
151.00279	7.1
161.02345	5.2
163.03957	2.8
168.00516	2.8
169.01358	12.6
173.02338	2.3
175.02394	1.4
175.03917	1.6
177.01776	2.6
178.99765	2.4
179.03436	3.5
185.02356	3.1
190.02620	1.6
191.03400	2.4
201.01860	4.1
203.03482	4.1
211.02425	4.1
217.01271	3.2
229.01387	7.2
229.69556	1.2
231.03024	6.3
234.71838	1.2
245.00954	5.6
247.02451	1.7
248.03227	6.0
249.04002	11.2
255.03001	3.1
257.00824	6.4
271.02164	5.4
271.04916	2.7
273.00397	3.4
275.01938	20.8
276.02240	2.2
285.04092	2.6
291.01495	1.7
299.99014	4.2
300.02731	11.3
300.99945	100.0
301.03415	13.3
302.00275	6.9
385.00070	1.2
420.03244	1.1
445.03793	1.8
458.41315	1.3
463.08344	2.0
493.09891	2.7
615.10138	6.1
643.22888	2.1
777.13318	4.1
795.10754	29.1
795.24133	4.1
796.10876	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	793.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	30.4
61.98702	6.0
63.45639	1.9
66.00150	2.2
70.23615	1.8
71.00181	4.6
71.01253	31.3
73.02810	3.0
74.47474	1.7
78.95783	2.3
85.02799	2.1
89.02337	6.3
91.74342	1.7
93.52396	1.7
97.02822	2.6
99.00756	3.9
101.02341	8.1
103.31892	1.7
109.06483	8.1
113.02337	5.5
125.09592	4.3
127.11182	6.1
137.09653	2.9
155.10715	2.7
161.04451	3.1
163.11224	4.5
165.09036	2.3
171.10193	44.4
181.12280	5.3
198.71541	1.8
199.09674	31.2
199.13342	8.6
201.11259	87.3
202.11646	6.1
207.10196	23.2
217.14418	2.3
225.11263	38.0
225.13290	2.9
226.11742	2.7
235.08238	4.3
243.12337	7.3
246.65210	2.2
253.09270	22.5
259.37762	2.0
277.21729	100.0
278.22092	8.0
435.18793	5.8
441.30203	2.6
461.20245	11.9
479.21451	4.7
535.67175	1.9
695.39771	3.9
721.42072	8.8
739.42694	15.5
757.43573	18.0
758.44055	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	793.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.8
61.98717	0.3
68.16510	0.3
71.57240	0.6
73.02832	3.3
78.95774	0.4
93.97247	0.2
94.08994	0.3
96.95882	0.3
99.00724	1.3
99.92466	10.9
100.92470	0.6
114.93339	0.5
116.92751	100.0
116.97144	6.6
117.01812	5.6
117.05516	0.3
117.92769	4.5
125.02391	0.4
169.01306	0.6
188.66034	0.3
209.11795	0.9
210.12263	0.3
227.12953	0.5
290.90692	0.3
291.19708	0.4
293.20956	0.4
335.17599	0.8
546.64215	0.3
557.64636	0.3
569.32245	0.3
635.11261	0.3
737.41888	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	5.4
61.98660	2.2
71.01268	8.6
71.56620	3.4
76.12658	1.7
81.67960	2.0
88.09824	1.8
91.28902	1.8
101.02349	3.1
109.03530	1.9
109.06474	2.3
131.62495	1.8
133.43124	2.0
163.11252	3.6
171.10190	100.0
172.10565	3.3
199.09810	3.4
201.11327	3.4
207.10184	12.3
209.11804	2.6
225.11261	51.0
226.11749	3.6
235.08182	4.5
253.09157	9.9
277.21713	82.4
278.22098	6.9
301.00027	1.9
352.44952	2.2
407.19147	9.2
443.19281	4.7
461.20120	17.2
529.91095	2.4
694.94342	2.5
695.40094	3.3
721.41400	11.2
775.40894	4.0
793.42389	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	793.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00435	1.4
59.01250	16.7
60.60738	1.4
61.98698	1.5
71.01258	17.4
73.02824	1.8
78.95778	1.9
87.00777	1.4
89.02312	2.4
96.95906	1.3
98.20566	2.9
99.00772	2.6
101.02327	4.3
109.06490	2.9
113.02349	1.5
125.02308	1.8
125.09602	2.1
127.11166	1.6
163.11188	2.7
171.10136	12.9
176.23228	1.2
180.21701	1.3
181.12263	3.3
199.09668	9.8
199.13326	5.0
201.09578	1.6
201.11296	22.5
202.11588	1.4
207.10188	9.3
215.12648	1.3
223.34248	1.4
225.11295	16.1
235.08247	7.8
243.12328	3.0
253.09290	12.0
277.21741	100.0
278.22055	7.2
461.19965	2.8
489.28513	1.5
513.31055	1.5
695.39362	2.4
696.40021	1.8
721.41510	4.3
739.42902	5.5
757.43903	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	793.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.2
59.01248	0.6
64.20086	0.2
69.40806	0.5
69.41221	1.0
73.02819	5.3
75.00735	1.0
89.02342	0.2
99.00759	2.3
99.92461	10.5
100.92474	0.6
105.02785	0.2
114.93323	0.6
115.03913	0.2
116.03429	0.4
116.92747	100.0
116.97096	1.6
117.01821	10.6
117.05457	0.6
117.92751	4.4
277.21738	0.2
293.21259	0.2
397.13351	0.4
472.78650	0.2
700.91034	0.2
733.45563	0.2
793.43579	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	3.5
71.01234	3.3
71.57889	2.5
93.03361	2.2
95.01266	2.5
95.44149	1.8
96.53945	1.9
96.95892	2.9
101.02317	3.0
107.01248	6.6
108.26579	1.9
109.02830	2.8
111.00768	2.8
113.02286	2.1
115.00282	1.9
120.48820	1.8
121.02850	3.1
123.00734	6.8
125.02338	29.6
137.02321	3.5
139.00226	2.8
149.02333	3.6
150.03130	3.1
151.00264	3.9
165.01801	2.3
169.01353	39.7
173.02362	2.6
175.02452	2.1
175.03929	2.4
185.02257	1.8
202.72507	1.8
214.02698	3.6
225.01837	9.5
229.01447	2.1
241.05061	4.6
242.02155	3.0
243.02908	4.5
253.01393	2.3
255.02965	2.7
256.03616	3.3
269.00900	63.9
270.01300	4.7
271.02359	2.6
273.00323	2.7
282.01694	8.4
283.02451	13.5
284.03168	5.2
285.03995	4.2
299.99152	3.8
300.02570	2.6
300.99832	14.2
301.03156	4.0
302.00137	3.3
313.05533	7.3
317.04453	3.0
319.06229	2.6
329.04242	2.1
333.03763	2.4
334.04868	2.3
335.05838	2.8
345.03998	8.6
346.04578	3.9
347.05313	2.8
361.03671	10.0
363.04874	2.2
373.03543	43.9
374.03995	7.2
375.04865	3.0
389.02875	27.4
390.03705	19.3
391.04565	10.5
403.04593	2.0
417.06168	2.0
418.03275	95.5
419.04028	72.5
420.04361	4.5
433.05515	4.5
434.06262	4.5
435.06815	4.0
463.05353	1.8
581.09277	19.2
582.09772	3.5
597.12054	2.3
641.11255	9.0
732.90332	2.1
733.10522	42.0
734.10907	7.2
749.13983	8.7
793.12457	100.0
794.13080	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	793.126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	4.7
60.13083	2.4
62.98736	2.2
69.27101	3.6
69.27451	27.6
71.01242	6.2
75.84824	2.1
76.79896	2.4
87.00783	3.5
88.73530	2.4
89.02309	2.6
95.01263	3.2
96.95871	4.2
107.01257	8.1
109.02830	4.2
119.57030	2.5
121.02829	3.8
123.00764	6.5
124.01555	2.3
125.02335	39.4
126.33405	2.7
139.00262	4.2
151.00237	8.8
161.02310	4.1
163.00330	2.5
165.01767	3.7
166.99702	4.0
169.01309	39.0
175.03905	3.5
176.01068	2.3
186.30180	2.4
186.41310	2.9
211.02339	3.5
214.02596	4.0
225.01881	10.4
229.01459	3.5
241.05084	2.8
243.02946	4.0
255.03192	3.6
269.00922	57.8
270.01413	4.8
275.01920	4.1
282.01706	7.0
283.02469	9.6
284.03183	7.6
285.04019	10.7
299.73358	3.2
299.99063	6.7
300.02557	3.7
300.99979	19.0
301.03201	5.2
313.05627	8.7
317.04422	4.7
345.03873	7.2
360.92999	2.8
361.03638	11.3
373.03442	48.5
374.03827	4.5
389.03024	26.1
390.03659	15.7
391.04462	11.7
417.97681	5.3
418.03311	100.0
419.04022	69.4
420.04373	6.0
433.05530	5.0
434.06030	4.1
435.07443	3.3
478.05420	3.1
581.09509	21.2
582.09491	3.7
641.11218	11.4
733.10449	34.6
734.10187	6.6
749.13214	9.7
793.12415	86.0
794.12872	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	791.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96096	1.2
69.86952	3.0
69.87363	1.2
71.01257	7.8
73.02809	1.3
73.48689	0.7
78.92963	0.7
78.95759	1.9
78.98476	6.1
79.95612	12.1
80.96394	71.6
85.02825	2.5
86.56732	0.8
87.00751	2.2
94.97960	16.2
96.95892	0.8
97.02852	1.2
98.19908	1.1
101.02296	1.6
106.97939	3.3
109.06511	0.8
119.44450	0.8
122.97453	3.3
125.02345	2.1
127.03895	1.3
134.97498	4.4
139.05467	0.7
148.99074	5.3
152.98431	4.9
152.99522	2.8
164.98546	10.5
206.99594	3.1
224.98683	1.2
225.00728	16.2
246.87880	0.7
255.23390	0.9
283.05106	1.1
445.18997	0.9
507.15308	2.4
555.25641	1.5
565.31287	0.9
571.37506	0.9
791.42560	100.0
792.42865	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	791.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66016	13.0
59.81535	11.9
60.66399	12.1
183.12364	14.3
184.03915	13.8
209.11769	100.0
238.45892	14.8
277.21744	95.4
300.31909	14.2
487.27740	17.9
559.72064	14.7
791.43500	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	791.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	6.8
61.98682	9.9
67.79044	4.8
71.57291	4.6
78.95763	15.5
89.02317	8.0
109.06431	4.5
125.02393	5.7
133.06610	4.1
152.99493	7.6
165.02277	4.3
169.01280	7.2
183.13850	33.0
184.14000	5.1
197.11736	6.1
207.10094	8.8
209.11745	12.1
211.13339	100.0
225.11168	6.2
227.12750	7.5
245.19135	5.7
253.09189	9.0
277.21573	4.8
289.18100	25.8
291.19696	6.9
293.21216	6.9
300.99911	8.2
307.19299	22.8
309.20721	11.6
665.85516	5.4
713.56891	5.3
754.87079	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	791.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	8.6
61.98695	2.5
71.01251	20.1
78.95752	3.5
83.04899	2.9
85.15973	2.2
89.02312	5.1
95.04913	2.1
96.95898	2.1
97.02802	3.5
97.73299	1.7
98.19733	3.1
101.02309	6.0
109.06461	17.6
113.02329	4.3
116.92706	3.9
123.04459	2.3
125.02367	3.5
127.00755	2.0
135.18228	2.3
142.02614	2.4
149.78314	3.0
161.04539	4.4
163.11203	8.8
169.01279	6.5
171.10139	8.2
195.13849	6.0
207.08344	4.0
207.10205	58.0
208.10591	2.8
209.11790	21.4
211.13295	6.1
223.13339	6.0
225.11270	24.1
226.11740	2.3
227.12770	3.0
235.08151	6.7
245.97096	2.5
253.09282	20.5
268.02835	2.6
275.20117	6.0
291.19699	21.1
293.21228	100.0
294.21631	7.1
300.99924	4.3
305.17767	2.8
316.91370	2.5
384.86926	2.7
423.15048	2.1
443.19318	3.4
461.20386	6.0
737.41455	7.9
738.42236	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	791.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51839	2.8
57.23309	2.8
59.01252	6.3
61.98698	11.8
62.27352	2.6
69.56140	24.2
71.01261	11.5
78.95773	9.1
80.96375	5.5
101.02317	5.3
107.91558	2.7
111.04407	4.3
121.22135	2.7
125.02249	3.5
128.10612	2.7
152.99513	3.6
171.10199	13.9
179.07240	2.8
179.10693	6.6
197.11694	3.3
199.09683	13.3
199.30023	3.0
205.08592	9.2
209.11891	3.8
223.09723	30.8
235.08182	11.3
241.10724	3.5
253.09239	8.2
267.56754	3.1
277.21725	100.0
278.22025	6.9
300.99872	5.3
339.24045	2.9
459.18774	4.6
468.52637	3.0
475.14441	2.7
574.91504	3.8
695.40369	9.6
719.40106	21.0
720.40497	4.1
737.41107	22.4
738.41376	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	791.399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	9.9
59.51250	6.5
61.98695	23.2
69.42013	68.5
71.01242	21.5
78.95779	14.6
80.96362	12.9
87.00770	8.0
111.04393	19.2
125.02312	9.8
140.22450	8.3
152.99556	7.2
161.09677	12.9
171.10204	39.5
179.10632	9.7
183.71411	7.2
197.11812	9.2
199.09685	40.2
205.08591	22.9
209.11781	9.6
212.73463	6.7
213.11281	11.4
223.09737	65.3
253.09329	20.3
277.21768	100.0
278.22031	14.0
300.99725	10.5
459.18500	14.0
514.79065	9.6
695.39673	25.3
719.40375	38.4
720.40289	9.9
737.41028	42.4
791.38733	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	791.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	7.2
62.39753	1.4
63.02280	2.2
65.00200	5.4
69.49558	11.6
71.01264	5.2
83.01270	6.2
89.02285	1.3
93.03320	2.8
95.01274	2.2
96.95885	3.6
99.92434	2.3
101.02309	2.6
107.01270	12.3
109.02834	3.7
113.02327	1.6
116.92735	29.4
119.03345	1.4
121.02861	8.2
123.00760	5.3
125.02332	16.4
134.03622	1.5
137.02315	1.7
139.00229	1.7
149.02412	2.3
150.03110	2.9
151.00266	31.7
160.01579	1.9
161.02408	4.2
163.00285	3.5
168.00540	1.8
169.01340	25.5
170.01695	1.9
175.03859	2.6
175.95926	1.3
178.99765	16.4
181.04997	1.5
191.03458	2.1
193.01254	1.3
193.05016	2.1
196.72984	1.3
209.11772	3.4
227.03465	1.7
243.02975	3.1
245.04626	1.4
255.02980	7.0
270.99533	1.7
271.02441	10.9
273.03989	2.0
275.01993	1.9
283.02414	2.2
299.01996	2.7
300.02762	19.8
300.99869	7.0
301.03479	100.0
302.03851	5.7
313.05658	2.0
398.34671	1.4
414.25546	1.4
464.08893	1.7
489.10321	9.1
615.10297	2.1
639.13623	2.9
791.14142	11.6
791.40088	2.0
792.14819	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	791.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.1
59.01262	0.7
64.86496	0.1
67.40684	0.1
71.01257	0.4
71.58059	0.3
72.99201	0.1
73.02824	5.0
74.02349	0.7
75.00743	0.5
83.04922	0.1
87.00763	0.3
89.02326	0.2
96.95907	0.5
99.00756	1.9
99.92463	9.6
100.92498	0.5
100.93213	0.1
101.02375	0.2
107.01233	0.2
109.06474	0.2
113.02361	0.2
114.93304	0.5
115.00298	0.3
116.00597	0.2
116.03429	0.6
116.92749	100.0
117.01826	10.0
117.05391	0.1
117.92759	4.5
123.00759	0.2
125.02356	0.6
150.03159	0.1
153.73804	0.1
165.05521	0.1
169.01326	0.6
171.10213	0.4
201.11250	0.2
207.10191	0.1
209.11774	1.7
211.13312	0.2
227.12877	0.3
235.08046	0.1
253.09300	0.3
276.48630	0.1
300.99838	0.2
327.21997	0.4
359.05740	0.1
388.99225	0.1
397.13577	0.2
655.71674	0.2
757.80664	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.3
55.11082	1.0
57.03328	2.9
58.00462	2.2
59.01248	17.1
61.98700	4.7
67.42475	0.9
69.03319	2.2
71.01256	48.2
71.44249	1.6
72.99187	1.6
73.02827	6.8
74.55542	1.1
80.02544	2.1
81.03333	4.2
83.01257	2.4
83.04902	8.6
84.02034	1.4
85.02824	10.3
87.00757	4.6
89.02306	10.1
91.03923	1.2
93.03370	1.6
95.01258	2.9
95.04900	4.2
96.95889	32.3
96.96812	1.4
97.02821	4.4
97.06481	4.5
98.95456	1.9
99.00758	3.1
99.04377	1.2
101.02339	12.2
104.07514	1.2
108.17342	1.1
109.06465	6.5
111.00735	1.7
111.04360	1.3
113.02351	7.8
116.92749	6.8
119.03315	2.4
119.42108	1.4
122.06001	2.5
123.00757	1.3
125.02353	6.8
125.09600	3.7
127.11184	3.4
129.01794	1.2
133.04964	3.2
135.08029	1.8
135.49339	1.0
136.07591	15.0
137.09570	1.8
139.07602	1.2
149.09567	1.5
153.09085	1.5
155.10699	3.0
161.04517	5.8
161.09651	1.5
163.11223	10.4
165.12779	3.8
167.14334	1.2
169.01367	6.5
171.10188	76.9
172.10461	2.3
179.05562	2.8
179.10670	1.4
181.12288	5.4
183.13821	3.2
185.11745	6.4
189.09123	2.8
191.10628	2.0
193.12218	1.2
197.11813	6.1
199.13309	1.6
201.11266	23.7
207.10208	19.3
209.11777	85.3
210.12151	5.1
211.13351	26.4
212.13551	1.1
215.12788	2.5
221.11755	3.4
225.11281	55.5
226.11554	2.7
227.12819	8.2
229.14409	14.9
235.08209	12.6
239.12720	2.1
243.12363	3.8
253.09276	31.7
279.11285	2.0
291.19681	7.0
300.99771	3.2
307.19052	2.2
309.20700	9.9
327.21765	100.0
328.22089	9.7
337.02393	1.2
391.24722	1.7
407.19232	1.7
418.17444	1.4
432.19205	1.2
461.20401	9.9
472.45087	1.3
479.21027	1.4
537.60760	1.2
538.48462	1.3
563.30823	2.3
595.25751	2.7
609.27539	2.1
614.82605	1.4
627.28101	4.7
628.28949	1.2
651.28046	2.9
652.28333	1.6
771.40814	3.8
789.41943	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	789.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	12.9
61.98716	15.4
68.97890	9.4
70.86526	36.5
71.01244	32.9
72.99219	11.1
77.01150	9.6
78.95770	100.0
80.81960	9.0
83.04946	11.0
85.27814	9.6
88.98707	15.1
97.02819	15.0
101.02392	17.8
101.64877	10.6
109.06431	20.7
121.79945	10.0
121.99079	11.0
125.02342	28.1
152.99498	33.5
163.11241	13.0
169.01353	41.6
171.10114	26.2
205.08711	13.4
207.10182	96.3
209.11867	28.3
223.09738	22.0
225.11276	57.0
239.42699	9.4
253.09325	29.7
274.97906	14.1
291.19647	81.5
293.21298	36.5
300.99899	23.8
302.16812	11.5
363.60507	9.8
444.55872	11.8
461.20053	23.1
764.88599	12.4
789.45325	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27506	2.0
57.02657	2.2
59.01040	1.9
59.01255	19.9
61.98699	6.3
68.77948	2.1
69.03298	3.5
71.01258	71.9
75.00758	2.8
78.95765	2.2
81.03365	2.4
82.95281	7.0
83.01246	4.1
83.04909	7.8
84.43388	2.0
85.02824	4.7
87.00739	4.0
88.98673	2.9
89.02305	8.5
94.78597	2.2
95.01215	2.3
96.95893	49.7
97.06519	2.5
98.95470	2.5
101.02334	10.7
107.01289	3.2
109.06435	3.6
111.08039	3.7
113.02325	7.6
114.93286	9.3
116.92746	11.1
119.08494	2.6
125.02280	6.1
125.09574	4.2
127.11185	3.7
137.09540	2.7
140.64758	2.3
145.04912	3.2
161.04463	3.4
163.11195	9.2
165.12865	3.2
169.01326	8.8
169.12177	3.1
171.10190	57.4
172.10571	4.0
181.12219	4.4
191.10672	2.2
193.12242	5.9
197.11765	26.3
199.09683	9.6
201.11256	28.8
207.10245	14.0
209.11772	100.0
209.13763	5.2
210.12112	6.0
211.13365	12.1
212.13609	2.4
225.11342	15.4
225.14932	7.6
227.12900	13.3
229.42467	2.6
235.08195	6.2
243.15817	2.9
253.09256	23.7
289.17987	11.7
291.19650	15.4
300.99841	4.6
307.19058	7.3
308.83624	2.6
309.20767	28.4
341.23138	3.3
343.24905	32.3
418.74460	2.8
521.12677	2.6
789.41858	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	789.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	5.8
61.98701	11.4
70.13918	4.4
70.14313	4.6
71.01246	14.4
75.18552	2.2
78.95781	7.3
89.02283	2.6
112.98519	2.4
113.02297	3.3
123.00758	2.8
125.02325	5.7
125.09648	2.3
155.10655	3.5
161.04501	2.8
163.11230	3.8
169.01335	4.8
171.10156	6.2
191.10594	2.3
197.11723	4.2
207.10187	3.2
209.11772	100.0
210.12067	4.6
211.13354	8.3
225.11261	6.6
227.12846	25.1
235.08203	7.5
253.09215	13.3
263.19913	2.4
289.18085	5.8
291.19904	2.9
300.99988	4.8
307.19165	16.8
308.19489	2.6
327.21802	8.8
341.23453	2.1
352.06454	2.2
445.20856	2.2
637.32629	2.8
735.39929	3.0
753.39471	2.9
789.37860	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	789.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.4
59.01249	14.2
61.98699	3.6
63.31114	0.7
65.90874	0.8
69.03316	1.7
71.01263	12.2
71.57137	1.2
72.01570	0.8
72.99202	2.0
73.02815	2.4
78.95779	1.7
79.95609	1.1
80.02546	1.8
80.04946	1.2
81.03351	1.9
82.03696	0.9
83.04889	7.4
84.02045	2.0
85.02819	3.8
87.00755	2.3
89.02320	7.9
89.98731	0.8
90.88866	0.8
91.67271	0.9
95.01284	1.2
96.95895	21.0
96.96832	1.1
97.02818	1.2
97.06474	5.7
98.95469	5.0
99.00758	1.4
101.02318	7.6
108.08086	2.6
113.02328	4.3
116.92754	8.7
117.92764	2.3
118.92556	2.3
119.03386	2.4
120.08060	1.2
121.05245	1.8
122.06008	7.5
125.02335	3.0
125.06023	1.0
125.09602	2.0
131.03441	1.5
134.06017	1.9
135.08060	1.0
136.07588	61.7
137.07930	1.9
143.03381	1.1
149.04518	0.8
153.04248	1.3
161.04549	2.0
163.11234	4.5
164.11557	1.7
165.12764	2.4
166.13104	1.2
169.01338	4.1
171.10216	8.5
172.10510	1.9
174.05562	0.9
181.12320	1.0
185.11737	1.1
191.10793	1.5
193.12291	7.2
194.12636	3.1
197.11853	5.3
201.11252	2.5
207.10197	1.1
209.11783	100.0
210.12132	51.9
210.14195	1.6
211.12363	8.5
211.13335	7.4
212.13684	1.2
216.64052	0.9
221.12012	0.8
223.08659	2.9
224.09312	0.9
225.10527	1.3
225.14877	9.5
226.15297	4.9
227.12849	11.0
228.13239	5.3
229.13318	1.9
235.08220	6.3
236.08495	1.8
237.10338	2.3
238.11055	1.1
239.11908	2.9
243.15968	3.9
244.16273	2.5
251.08238	2.0
251.11819	2.2
253.09306	13.9
253.14383	1.1
254.09668	5.4
255.09763	1.9
263.08063	1.3
263.11722	0.9
264.09076	1.3
265.09723	2.7
271.10999	1.4
278.10651	1.5
279.08295	1.3
279.11292	6.0
280.12125	1.0
291.07755	1.6
291.11264	1.5
291.19604	1.7
300.99802	1.6
307.10898	2.4
309.12387	1.7
309.20282	0.9
319.10992	2.3
327.21881	2.4
337.11514	1.0
339.13623	4.7
341.23334	37.9
342.23642	39.7
343.24002	17.4
359.16119	0.9
360.16980	2.2
372.17120	1.0
386.14578	1.9
386.19089	4.4
387.19119	1.1
397.13376	2.0
400.16248	1.1
428.19794	2.5
429.20407	1.5
432.19287	5.2
440.16180	2.7
446.21118	1.1
460.18793	2.7
472.18777	3.3
473.19534	1.9
486.20175	2.0
487.21136	1.1
488.21817	12.7
489.22403	1.5
504.21448	7.2
505.21771	1.3
509.25635	3.1
535.23523	2.0
551.26630	3.1
554.24799	1.1
577.24506	2.9
595.25507	10.2
596.26233	1.7
609.27142	34.1
610.27631	8.4
627.28247	17.4
628.28430	4.2
669.29816	1.6
754.57800	0.8
789.42426	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.8
57.03320	1.7
59.01256	10.1
68.03735	0.7
71.00889	1.1
71.01260	12.2
71.57455	0.9
72.99174	1.1
73.02812	2.7
83.01262	2.0
85.02832	6.0
89.02328	5.7
95.01260	2.4
96.10982	0.7
96.95895	1.3
97.02859	0.9
99.00771	0.9
101.02325	11.8
107.01271	1.3
111.00706	0.9
113.02325	4.5
119.03419	2.1
123.00754	3.6
123.01554	0.8
123.08009	1.6
125.02360	6.6
139.00258	1.5
140.00984	0.9
151.00279	2.8
158.71010	0.8
161.04428	1.2
168.00479	1.4
169.01347	9.4
170.01674	0.8
175.03836	0.8
177.12778	3.3
195.13863	1.2
221.11774	2.0
275.02060	1.1
300.99966	4.5
302.00333	2.1
303.00516	1.6
387.12955	30.7
388.13190	2.5
393.95114	0.7
401.18170	100.0
402.18497	8.4
581.72058	1.0
632.07037	1.0
638.57062	0.9
789.09741	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	788.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73653	0.9
59.01251	19.7
61.98702	6.4
63.96099	1.1
69.13500	0.8
70.80777	1.7
70.81147	1.9
71.01241	5.9
73.02804	1.4
78.95779	36.2
78.98450	2.9
79.95610	7.4
80.02534	2.5
80.96394	41.0
81.03322	2.7
82.95966	2.8
83.04906	9.6
84.02024	2.3
85.02802	2.2
87.00747	2.1
94.97955	10.5
95.04911	1.8
96.21995	0.9
96.96820	0.9
97.06493	1.3
101.02328	1.4
106.97997	2.2
111.09587	0.9
111.63440	0.8
120.14629	0.9
122.97457	2.0
125.02284	1.6
125.05993	2.0
125.09619	1.4
134.97476	2.9
148.99025	3.8
152.98550	1.4
152.99545	5.3
163.11166	6.6
164.98564	6.7
165.12723	4.2
165.98952	1.0
166.13190	1.0
168.04245	8.4
181.12286	1.5
191.10686	3.6
206.99617	1.7
209.11783	100.0
210.12106	5.2
223.13292	3.9
224.06862	4.8
225.00757	7.1
226.00992	1.4
226.12004	1.3
227.12869	19.1
241.14421	18.2
242.07988	1.2
242.14764	1.5
279.23291	80.8
280.23660	5.9
504.30533	5.0
643.36182	1.9
669.37250	1.2
670.37988	1.1
714.43530	75.2
715.43976	17.5
728.44812	5.0
729.45239	1.5
788.39746	40.4
789.39813	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	788.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	13.0
61.98706	3.4
63.96112	0.7
65.37522	0.4
71.01268	2.4
71.04892	1.1
73.02834	0.6
74.94977	0.4
77.95282	0.4
78.95779	17.0
78.98466	1.6
79.95602	3.8
80.02563	0.6
80.96392	23.4
81.03355	1.2
82.95977	1.1
83.01252	0.5
83.04900	2.2
84.02033	0.4
85.02856	1.0
87.00740	0.8
94.97968	4.4
97.02836	0.8
101.02292	0.7
106.97980	0.8
107.81714	0.4
116.92698	0.4
122.97469	1.1
125.00037	0.7
125.02348	1.3
125.05981	0.5
134.97501	1.5
148.99075	2.2
152.98517	1.4
152.99643	1.9
163.11227	1.3
164.98547	3.5
165.12796	0.9
165.98798	0.5
168.04245	4.6
170.33005	0.4
188.58582	0.4
191.10722	0.7
209.11774	20.4
210.12154	1.6
223.13330	0.7
224.06911	1.7
225.00710	4.1
226.01025	0.7
227.12827	3.7
230.76620	0.4
238.05544	0.4
241.14455	3.7
261.22253	0.8
277.21716	0.5
279.23285	100.0
280.23596	7.5
335.22784	0.4
363.12082	0.5
434.19382	0.9
452.20438	1.8
466.22137	0.9
504.31079	0.6
643.36188	1.0
714.43457	41.4
715.43927	7.5
728.45013	2.7
788.39734	21.0
789.39923	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	787.449
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83474	3.9
59.01254	23.4
61.98709	9.6
70.02525	8.2
70.02924	14.2
71.01242	24.1
72.99192	3.6
81.03349	6.0
83.04877	3.9
87.00762	9.8
88.98656	6.0
89.02315	15.3
91.82172	3.2
96.95918	6.5
101.02319	11.9
111.08031	5.5
113.02377	4.3
116.92770	5.4
125.02364	6.9
125.05933	4.1
125.09639	5.9
127.08469	3.4
151.11159	4.4
163.11127	4.8
169.01363	8.2
169.12271	7.5
171.10172	18.2
197.11758	32.3
199.13393	7.1
201.11328	5.2
207.10158	9.7
209.11777	100.0
210.12076	6.3
211.13290	13.6
225.11200	7.2
227.12845	20.3
235.08165	8.1
253.09312	27.6
259.15564	4.9
289.18024	5.7
291.19583	14.2
300.99933	5.3
305.17816	4.4
309.20709	35.2
339.34171	4.9
341.23230	10.6
563.36200	4.8
608.27618	4.3
787.40625	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	787.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.4
59.01246	5.4
61.98706	0.9
63.38181	0.4
63.94820	0.3
69.03334	1.4
70.86347	0.8
70.86684	0.5
71.01256	3.5
71.01589	0.5
73.02827	0.8
73.35783	0.4
77.25712	0.4
78.95792	1.6
79.95617	0.8
80.02547	1.2
81.03342	0.9
83.01242	0.8
83.04897	4.7
84.02029	2.1
84.44212	0.4
85.02821	1.5
87.00767	0.9
89.02316	2.8
90.97582	0.4
95.04906	0.8
96.95893	28.5
96.96883	1.8
97.02861	0.4
97.06474	5.9
101.02328	3.6
107.71687	0.4
111.08059	0.5
113.02361	2.1
114.21954	0.4
115.93082	0.4
119.03398	0.9
125.09611	0.7
135.08096	0.6
137.09674	0.6
143.03401	0.6
158.41331	0.4
161.04474	1.6
163.11169	4.4
165.12753	2.8
165.21960	0.4
169.59064	0.4
171.10170	5.7
179.05553	0.5
181.12210	0.4
185.11707	0.5
191.10706	0.7
193.12273	7.6
194.12534	0.5
197.11806	0.5
209.11778	100.0
210.12106	4.7
211.13335	2.1
221.11760	0.8
225.11491	0.8
225.14914	10.6
226.15137	0.5
227.12859	9.2
235.08194	5.2
243.15991	4.5
253.09282	15.2
253.14517	1.1
264.27243	0.4
291.19659	1.5
305.21146	0.5
323.22351	1.1
341.23328	69.5
342.23706	5.7
431.19580	0.4
445.20837	0.8
533.34845	2.8
551.36151	0.6
562.56628	0.5
577.32458	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	787.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.7
58.00449	0.3
59.01251	5.2
61.98707	0.9
65.42433	0.3
66.36023	0.3
69.03333	0.7
69.85852	0.4
71.00249	1.0
71.01242	4.0
73.02827	0.6
78.95782	0.6
80.02537	1.2
81.03337	0.9
83.01250	0.8
83.04897	4.8
84.02041	3.2
85.02830	1.3
87.00754	1.4
88.90842	0.3
89.02322	2.8
95.04890	0.7
96.95892	7.9
97.02824	0.8
97.06463	4.3
99.04411	0.6
101.02335	3.6
109.06460	0.8
111.08032	0.6
113.02344	1.5
113.05927	0.5
115.03906	0.3
116.92736	1.7
119.03389	0.6
125.02359	0.4
125.05975	0.5
125.09598	1.1
127.11210	0.4
135.08052	1.1
137.09592	0.5
145.04955	0.4
151.11267	0.3
151.80318	0.4
153.09047	0.3
161.04480	1.6
163.11221	3.1
165.12793	2.6
169.01309	0.4
171.10191	8.6
175.11139	0.5
179.05496	0.5
181.12283	0.7
183.13846	0.4
185.11707	0.6
191.10696	1.1
193.12265	6.9
193.13911	0.5
197.11841	0.4
197.15363	0.5
201.11240	0.6
207.10242	0.6
209.11771	100.0
210.12114	4.6
211.13284	1.9
221.11787	0.5
223.09779	0.5
225.11470	0.7
225.14917	9.0
226.15280	0.5
227.12839	10.4
228.13210	0.5
235.08211	4.8
237.51601	0.4
243.16008	3.8
253.09261	14.7
253.14476	0.7
254.09605	0.7
273.18329	0.3
291.19754	0.7
305.21191	0.9
323.22186	1.3
325.20175	0.6
327.21744	0.6
341.23303	65.7
342.23697	5.2
445.20840	0.7
533.34656	2.4
551.35846	0.5
577.32306	1.1
751.11084	0.4
787.43164	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	19.8
61.98703	20.3
63.27281	3.1
63.87291	3.4
65.96884	3.5
68.99411	4.4
69.03323	5.2
71.01255	100.0
71.27032	5.7
73.02824	6.2
78.95786	5.8
81.03310	4.0
83.04897	6.2
85.02820	4.7
87.00755	49.1
89.02328	9.8
96.95906	4.3
97.02791	8.0
97.06487	5.6
99.00764	5.0
101.02317	7.9
109.06438	5.3
111.00763	4.7
111.04471	3.9
112.98502	4.2
113.02322	8.9
125.02357	6.1
125.09603	10.9
141.00145	3.7
151.11255	3.1
155.10693	4.5
159.91812	4.2
163.11189	9.2
165.12775	5.8
169.01320	5.9
169.12172	3.7
171.10176	50.4
179.10715	4.9
181.12250	6.8
185.11719	14.1
191.14453	4.3
197.11731	11.9
199.09599	4.9
199.13318	10.2
201.11255	23.8
205.08670	4.2
207.10168	15.9
209.11775	32.4
211.13333	21.3
213.11174	8.2
215.12767	4.8
223.09695	13.5
225.11322	20.8
227.12891	21.5
235.08167	5.6
241.14352	5.7
245.19058	5.9
253.09206	22.7
259.15634	5.6
289.18063	15.8
291.19626	20.2
300.99829	5.8
307.19067	8.9
309.20624	18.3
341.23334	22.5
347.19757	4.7
408.96616	3.4
787.43756	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	787.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.9
57.03320	1.7
58.00460	0.9
59.01253	9.1
61.98692	2.2
68.99682	0.7
69.03321	1.5
70.86214	1.4
71.01253	15.4
72.99176	1.4
73.02807	1.8
78.95756	1.3
79.95639	0.9
80.02541	1.8
81.03327	1.8
83.01275	0.9
83.04885	4.8
84.02036	4.5
85.02808	3.0
87.00756	2.7
89.02316	4.4
91.39523	0.7
93.03279	0.7
95.01273	0.9
95.04897	1.6
96.95885	19.4
96.96847	1.1
97.02837	2.0
97.06462	5.0
98.19727	0.6
99.04422	0.6
101.02335	4.6
102.28535	0.6
109.02886	0.6
109.06464	3.7
110.03628	0.8
111.04408	2.7
111.08076	0.8
113.02358	3.1
116.92729	1.0
119.03384	1.2
125.02354	1.2
125.05971	0.8
125.09624	2.2
127.11153	1.0
128.03497	0.7
128.90051	2.9
129.01843	1.0
129.97124	0.5
133.04953	1.0
135.08069	1.1
149.09634	0.8
150.21465	0.5
153.09009	1.0
155.10645	1.1
161.04465	2.4
161.09645	1.1
163.11201	4.7
164.11551	0.7
165.12758	2.7
169.01352	1.0
169.12332	0.9
171.10193	32.4
172.10536	1.2
177.09142	0.7
177.12846	0.7
179.05550	0.8
179.10692	2.7
181.12199	1.1
183.13844	1.9
185.11781	1.7
191.10712	1.0
193.12222	6.2
197.11765	6.2
199.13329	1.0
201.11320	3.9
203.10744	0.6
205.08632	1.6
207.10187	4.4
209.11777	100.0
210.12068	4.4
211.13310	6.8
213.11163	1.3
215.12871	0.7
221.11752	1.4
223.09683	7.5
224.09973	0.8
225.11288	6.1
225.14859	6.9
226.11522	1.0
227.12859	11.9
229.14323	3.0
235.08215	7.0
235.13336	0.7
240.13124	0.8
243.16008	2.1
253.09262	20.2
254.09573	0.8
254.86232	0.6
289.18005	0.8
291.19711	3.5
309.20728	1.8
323.22360	1.1
325.20258	8.0
327.21756	17.0
328.22156	1.8
341.23331	58.8
342.23624	4.5
425.53955	0.7
445.20712	0.7
459.18552	1.1
512.69122	0.8
533.34723	1.3
551.35779	1.0
563.30554	1.1
577.32642	1.0
769.40411	2.5
770.41248	0.8
787.41382	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	787.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.0
61.98708	5.8
63.96109	1.7
69.03331	0.6
71.01255	11.5
71.34486	1.2
73.02824	1.9
73.82922	0.6
78.95776	2.4
78.98462	8.2
79.95605	18.9
80.96394	100.0
81.03329	1.1
85.02829	3.7
87.00749	4.8
91.03495	0.6
94.97965	20.6
96.95879	1.9
97.02835	2.3
99.00751	0.8
101.02335	3.2
101.57099	0.6
106.97969	4.3
109.29115	0.7
113.02323	0.9
122.97496	3.9
125.02352	3.5
127.03923	1.6
134.97472	5.9
136.99020	2.4
148.99048	8.3
152.98543	7.8
152.99620	0.6
162.25941	0.7
164.98553	15.4
165.12711	0.7
171.10231	0.8
206.99586	3.0
209.11716	3.2
214.47614	0.6
220.43578	0.7
225.00719	22.9
277.21729	2.2
279.23401	1.4
283.04916	0.7
293.21136	0.7
295.22729	1.9
296.23053	0.9
509.16986	3.4
559.25671	1.5
650.28375	0.7
714.43695	2.1
787.39374	86.8
788.39746	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	787.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	36.8
60.46916	7.7
61.98700	21.7
71.01250	65.8
72.99170	9.6
73.14227	8.5
74.96158	8.4
75.54172	7.7
78.95779	53.4
81.02186	7.9
82.51026	8.0
83.04879	14.3
87.00761	25.1
88.98664	15.1
89.02296	17.1
96.95886	12.5
97.02838	13.0
101.02330	15.4
107.32092	9.2
109.06454	24.5
125.02277	13.2
125.09614	13.9
126.95708	9.4
130.14980	8.1
152.99474	18.0
163.11208	25.9
169.01314	23.8
171.10129	50.3
185.11710	11.6
197.11726	9.1
201.11389	18.2
207.10167	100.0
209.11772	81.3
210.12035	11.1
211.13252	25.9
225.11287	71.8
227.12733	11.6
229.55511	12.0
235.08267	14.3
245.19250	11.7
253.09264	40.1
289.18109	39.5
291.19650	20.2
293.21167	48.2
300.99832	22.8
307.19125	34.8
309.20755	8.4
325.23795	34.0
327.21249	11.4
341.23337	15.3
441.65982	11.4
461.20197	12.7
522.94366	9.7
622.38672	8.8
711.76868	10.1
751.38837	31.1
787.42987	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	787.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45195	0.7
57.71049	0.8
59.01252	1.4
60.99180	0.8
61.98697	2.2
63.96100	2.0
69.78869	4.7
71.01254	9.4
73.02824	2.2
78.95778	2.3
78.98463	9.7
79.95607	20.5
80.96391	100.0
81.02662	0.7
81.03330	0.9
85.02824	3.6
87.00745	3.2
88.98669	2.5
94.97963	20.3
95.01271	0.8
96.95872	2.2
97.02813	2.0
99.00764	1.0
101.02315	3.7
106.97940	4.9
113.02296	1.0
122.97483	4.2
125.02339	4.8
134.97499	6.2
136.99031	1.5
148.99051	8.6
152.98553	8.8
164.97263	1.3
164.98546	16.2
188.98566	1.0
206.99580	3.1
209.11725	3.1
225.00703	19.8
226.00812	0.8
264.88821	0.9
277.21759	1.8
279.23270	3.3
283.05096	1.3
468.19589	0.8
480.28363	0.7
509.16641	2.0
559.25934	1.6
685.94690	0.8
714.43817	1.7
787.39374	85.2
788.25934	1.1
788.39630	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	787.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.9
58.00479	1.2
59.01255	15.3
61.98697	2.7
62.10551	0.7
67.01759	0.7
71.01254	16.3
71.35328	1.9
72.99175	1.7
73.02817	4.7
79.95629	0.7
80.04932	1.3
83.01275	3.1
85.02824	6.0
85.65269	0.8
87.00765	2.6
88.98695	1.1
89.02330	5.8
94.06528	1.0
95.01272	3.1
96.95880	6.1
99.00771	2.2
101.02328	5.3
106.06520	5.4
107.01274	2.5
107.03685	2.1
108.04456	1.2
113.02347	5.7
119.03397	1.5
120.04465	1.4
120.08099	3.5
121.05286	1.3
122.06008	20.7
122.06866	1.3
123.00768	2.8
125.02339	10.7
128.28592	0.8
130.02853	0.9
132.04443	1.9
134.06024	42.9
136.07629	1.2
141.01752	0.9
143.03380	0.9
148.07608	1.2
148.55592	0.7
150.05540	0.8
152.07062	6.2
158.02415	2.4
160.03957	1.8
161.04530	1.0
169.01344	10.4
176.03406	1.0
190.05005	7.0
192.06682	1.8
197.10768	1.9
209.11833	0.8
221.10759	7.1
223.08727	3.0
224.09489	1.6
225.10294	3.1
227.11742	1.2
234.07991	1.4
235.08783	1.6
236.09604	1.6
237.10315	3.3
238.11156	1.2
239.11891	3.6
248.09546	1.3
248.60724	0.8
249.06613	1.0
249.10307	6.8
250.07433	0.9
251.08302	2.4
251.11932	4.8
252.09082	0.8
261.10367	1.6
262.07510	2.1
262.10925	0.7
263.08270	5.3
263.11884	1.9
264.08994	6.3
265.09802	7.5
265.12607	0.9
267.11462	1.0
269.13000	2.2
271.10831	0.9
276.09021	2.2
277.09839	9.8
278.10513	3.3
279.11395	12.7
280.11917	1.2
283.10965	1.1
289.09879	1.9
290.07202	0.9
290.10550	1.8
291.11508	7.1
292.12253	1.6
293.12875	1.4
295.10828	1.1
296.11496	1.5
301.00067	1.1
304.08505	0.8
305.09308	13.2
305.12769	1.3
306.09827	2.2
307.10730	1.7
309.08862	1.2
309.12268	1.6
311.13864	1.0
317.09253	1.7
318.16171	1.0
323.10391	2.6
327.13544	1.2
329.15039	0.8
337.11932	6.0
338.12521	1.0
342.16199	5.1
356.14108	1.0
358.15494	1.5
360.17099	1.1
370.15494	2.4
371.16168	1.0
372.17108	3.0
384.17209	1.8
386.15073	2.8
386.19263	1.0
398.14807	1.3
399.15552	1.6
400.16742	2.0
411.15643	1.2
412.16608	2.7
424.16660	1.6
425.17871	0.8
426.18390	2.6
428.16089	1.5
430.17889	1.8
444.19681	1.1
447.16766	1.1
452.16507	1.4
470.17200	1.7
471.17929	2.1
472.18942	4.0
483.19244	1.6
490.19516	1.1
502.19641	1.0
522.22400	1.1
523.24042	1.0
544.21259	1.3
588.24066	0.9
592.23383	2.4
593.24091	3.3
594.24384	2.0
604.23816	1.1
617.18787	2.1
632.22528	17.5
632.32404	1.5
633.23444	4.2
635.20282	3.4
664.25116	100.0
665.25470	16.0
667.28125	1.6
687.31073	1.1
711.30249	1.5
713.28137	8.3
714.28851	3.1
755.29260	38.7
756.29614	5.7
787.20734	4.1
787.32410	38.7
788.21301	1.3
788.32806	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	787.21
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	5.7
61.98700	9.1
63.99053	1.1
67.01757	2.4
68.99691	1.5
69.03331	4.1
71.01245	5.7
71.07162	3.0
72.99192	1.4
78.95761	2.6
79.95586	2.0
80.96383	2.6
81.03331	1.5
83.01262	2.2
85.02828	2.5
87.00778	2.0
88.98658	1.6
89.02277	1.0
93.03357	1.1
94.97967	1.8
95.01258	9.3
95.24731	1.0
96.95891	19.5
96.96840	2.4
97.02825	3.7
98.95470	1.1
101.02314	2.8
107.01280	14.8
107.03481	1.2
110.00012	1.2
111.00777	3.3
113.02326	1.9
115.00202	1.6
121.02800	1.1
123.00774	26.6
124.01574	3.3
125.02342	100.0
126.02672	4.2
127.00256	2.2
136.98688	2.3
139.00266	8.0
140.01112	6.3
141.01811	3.4
141.24127	0.9
148.52808	1.2
149.02174	1.1
150.03105	1.6
151.00305	8.0
151.03885	2.3
153.01889	1.2
160.01685	1.4
161.02400	1.2
163.03920	1.4
165.01926	1.6
165.05499	3.0
166.99753	7.9
168.00543	12.0
169.01347	94.8
170.01672	4.3
175.03912	1.3
177.01889	2.4
179.03352	1.4
187.11177	1.4
191.03433	1.8
193.01468	1.4
195.06516	1.3
209.11745	1.6
211.02388	5.9
270.98822	1.3
275.01910	1.5
285.03903	1.8
299.99048	2.0
300.99908	9.0
313.05515	1.7
333.84729	1.2
449.18341	1.2
465.17621	8.9
483.18683	11.8
484.19174	1.5
577.54138	1.2
617.18793	19.7
618.18958	1.9
635.19781	54.5
636.19714	6.8
755.27478	1.5
787.20679	55.9
787.32458	2.3
788.21002	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	787.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	2.4
69.25327	19.5
71.01254	2.8
78.35179	1.6
84.91415	1.4
95.01273	6.8
96.27210	1.7
97.02832	2.9
97.19055	1.8
98.19710	3.1
107.01278	8.6
111.00723	2.6
123.00770	17.3
124.01543	1.8
125.02338	86.9
126.02677	3.3
127.00256	2.2
139.00255	3.5
140.01047	4.4
145.02786	2.0
151.00310	3.6
161.02319	2.1
165.01724	1.7
166.99771	3.9
168.00511	10.2
169.01346	100.0
170.01624	3.2
177.01961	1.8
179.03421	5.6
181.01462	1.5
191.03497	2.8
193.01402	3.0
202.22542	1.8
207.02931	3.6
209.81377	1.6
211.02402	5.3
221.00938	2.8
221.04517	3.2
235.02396	4.0
273.37448	1.9
295.04608	5.5
300.99994	11.5
302.00223	2.4
313.05615	17.4
403.06512	2.3
447.05695	4.8
465.06699	23.4
573.08759	3.6
617.07782	50.3
618.08179	6.5
635.08923	8.2
787.10187	19.0
788.09808	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	21.0
61.98702	53.4
67.67683	1.6
71.00874	1.4
71.01242	3.1
71.57377	1.9
78.95776	35.6
79.95612	1.7
80.02536	2.7
80.96404	7.1
81.03333	2.0
83.01256	2.3
83.04901	9.9
84.02047	2.1
94.97974	1.6
95.04935	1.5
96.96780	1.3
97.41405	1.4
98.16476	1.4
125.09607	1.5
138.88655	1.6
143.84592	1.2
152.99493	6.0
163.11241	7.6
164.98555	2.5
165.12755	5.3
168.04243	9.0
191.10648	2.9
197.11823	1.6
203.63225	1.3
209.11765	100.0
210.12093	5.1
223.13326	4.0
224.06828	3.8
225.00725	2.4
226.12051	1.6
227.12810	21.6
241.14435	21.3
277.21729	71.4
278.22034	5.3
300.99734	1.7
377.04401	1.2
432.59387	1.3
502.29489	7.2
545.80389	1.4
641.34680	2.9
667.35809	1.8
712.41913	85.4
713.42114	15.1
726.43939	7.6
787.39459	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	787.1003
Annotation	1,2,3,4-Tetragalloyl-alpha-D-glucose
Peak:m/z	Relative Intensity
69.03326	2.4
69.25327	19.5
71.01254	2.8
78.35179	1.6
84.91415	1.4
95.01273	6.8
96.27210	1.7
97.02832	2.9
97.19055	1.8
98.19710	3.1
107.01278	8.6
111.00723	2.6
123.00770	17.3
124.01543	1.8
125.02338	86.9
126.02677	3.3
127.00256	2.2
139.00255	3.5
140.01047	4.4
145.02786	2.0
151.00310	3.6
161.02319	2.1
165.01724	1.7
166.99771	3.9
168.00511	10.2
169.01346	100.0
170.01624	3.2
177.01961	1.8
179.03421	5.6
181.01462	1.5
191.03497	2.8
193.01402	3.0
202.22542	1.8
207.02931	3.6
209.81377	1.6
211.02402	5.3
221.00938	2.8
221.04517	3.2
235.02396	4.0
273.37448	1.9
295.04608	5.5
300.99994	11.5
302.00223	2.4
313.05615	17.4
403.06512	2.3
447.05695	4.8
465.06699	23.4
573.08759	3.6
617.07782	50.3
618.08179	6.5
635.08923	8.2
787.10187	19.0
788.09808	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95013	0.1
61.98705	100.0
62.98413	0.2
69.31236	1.3
80.96400	0.3
81.13682	0.1
102.43638	0.1
173.58011	0.1
209.11792	0.6
210.12140	0.2
277.21786	0.5
278.22137	0.5
279.22513	0.3
635.94489	0.1
660.12781	0.2
684.85400	0.1
706.81781	0.2
771.08929	0.2
786.38898	0.1
787.38879	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	13.0
59.29551	0.4
61.98697	2.2
67.28097	0.4
71.01230	1.0
71.44487	0.4
71.44826	0.4
78.95312	1.0
78.95776	18.4
81.03323	0.8
83.01265	0.6
83.04911	2.6
88.98657	1.2
90.71448	0.4
95.04858	0.5
95.80766	0.4
97.36766	0.4
97.92791	0.4
104.20169	0.4
124.99983	0.6
125.09595	0.5
125.45547	0.4
135.08096	0.5
152.99472	2.3
163.11200	1.7
165.12735	1.1
168.04192	3.8
171.10136	0.5
191.10742	0.9
203.84854	0.4
209.11765	23.6
210.12071	1.4
223.13274	1.1
224.06877	2.1
226.11708	0.4
227.12839	4.5
241.14433	4.1
253.09230	0.5
277.21719	100.0
278.22116	7.2
294.88940	0.5
363.12415	0.5
434.19363	0.8
452.20703	2.3
466.22156	1.1
502.29410	0.5
537.24127	0.5
641.34491	0.8
667.36096	0.9
712.41974	45.5
713.42426	6.7
726.43353	3.8
727.39789	0.6
787.39050	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74682	0.1
57.73317	0.1
59.73624	0.1
61.98705	100.0
62.98416	0.2
62.99118	0.1
71.13404	0.3
77.18878	0.1
78.95677	0.1
80.96392	0.3
209.11879	0.6
210.12190	0.3
277.21799	0.4
278.22116	0.2
279.22684	0.2
730.53400	0.2
786.38885	0.2
787.39124	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	14.6
61.98702	1.5
69.86922	2.6
71.01262	2.6
73.02822	0.5
78.95765	0.8
83.04873	0.4
87.00761	0.6
89.02310	1.3
98.20499	0.8
101.02308	2.0
101.46410	0.4
112.74660	0.4
113.02366	0.8
119.03414	0.5
150.57465	0.4
151.11177	0.5
153.09055	0.7
153.12762	1.0
161.04424	0.7
169.12289	5.9
170.12645	0.6
172.70872	0.4
179.05566	0.6
179.10721	0.5
197.11769	100.0
198.12096	4.8
209.11768	1.7
235.08241	2.0
239.71144	0.5
253.09264	5.7
253.49884	0.4
277.21729	48.6
278.22052	4.2
279.23340	1.6
354.95880	0.4
415.19711	1.0
433.20816	7.6
434.21405	1.4
513.30896	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85487	1.3
57.03327	1.9
59.01249	16.0
61.98707	5.0
62.79439	1.3
67.01771	1.2
69.03348	3.2
71.01261	7.5
73.02824	3.4
79.03996	1.2
81.03331	3.4
83.01246	1.7
83.04905	4.1
84.02052	1.8
85.02827	3.7
87.00776	1.8
88.98692	1.5
89.02323	4.2
95.04933	1.3
96.95885	6.0
97.02824	8.0
97.06483	9.1
99.00755	2.6
101.02316	7.6
105.70572	1.2
107.04928	1.8
109.06475	35.7
110.03657	1.5
113.02335	3.3
119.03394	1.4
121.06480	2.6
125.02357	3.5
125.09644	1.9
126.90293	1.3
127.23133	1.4
128.90082	1.5
135.08070	5.5
136.05286	1.5
142.02647	2.6
145.04926	2.0
155.29716	1.3
161.04495	3.4
161.09660	1.8
163.11217	16.7
169.01324	4.9
171.10187	12.1
179.05722	1.5
181.12268	4.9
189.09105	3.1
193.12292	12.4
206.13661	1.2
207.10210	94.6
208.10545	4.4
209.11801	10.1
211.13379	3.6
221.11742	2.1
225.11293	36.7
225.14803	16.0
226.11609	2.5
229.90138	1.4
235.08142	7.2
237.07591	1.3
243.15979	7.4
253.09271	20.9
262.41000	1.3
301.00046	1.8
341.23325	100.0
342.23737	10.7
361.04883	1.3
413.73660	1.3
443.19290	2.5
461.20313	11.6
526.54639	1.4
531.33258	2.8
767.41602	1.7
785.43250	32.5
786.43732	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	785.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.3
58.21837	0.8
59.01252	16.1
61.98694	2.6
69.03323	2.1
71.01253	11.0
73.02810	2.0
78.95765	4.7
79.95610	3.0
81.03331	2.9
83.01266	2.4
83.04904	5.0
84.02032	4.9
85.02829	3.2
87.00759	2.5
89.02318	6.8
95.01281	1.5
96.95891	79.2
96.96783	4.2
97.02834	9.5
97.06462	8.5
99.00774	2.0
99.04401	2.3
101.02320	7.9
106.04171	0.9
107.04941	1.0
109.06481	37.4
110.03637	1.3
111.00751	1.2
111.04410	1.2
111.08044	1.1
113.02343	4.8
119.03377	2.2
121.06523	2.2
125.02337	2.4
125.09630	1.9
135.08061	4.8
136.05182	1.7
142.02638	1.7
143.03397	1.1
145.04973	1.4
151.11205	0.9
161.04443	2.8
161.09636	3.1
163.11191	21.4
164.11517	1.0
165.12933	1.1
166.99817	0.8
169.01337	3.1
171.10190	21.6
172.28613	0.8
175.11235	1.1
179.10806	1.2
181.12216	3.6
185.04428	0.8
185.11772	1.3
189.09094	2.5
193.12247	9.9
197.11713	2.8
207.10208	96.3
208.10516	5.1
209.11746	10.5
211.13284	4.1
221.11832	1.1
225.11302	35.2
225.14832	16.1
226.11636	1.9
226.15189	1.4
235.08195	9.4
241.14363	1.4
243.15974	6.3
253.09300	21.7
253.14502	1.5
254.09711	1.4
275.01910	1.1
291.19659	3.4
299.14902	1.2
300.99817	2.7
305.17856	0.9
321.20828	1.3
323.09882	2.0
323.22318	1.3
341.23306	100.0
342.23718	8.6
443.19128	4.4
461.20322	9.5
461.33020	2.1
462.20490	1.1
479.33923	4.5
505.35434	1.8
531.33337	3.0
577.32269	2.0
599.84033	1.0
623.37720	1.3
707.92352	1.1
767.42114	1.3
785.43292	33.9
786.43604	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	785.397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	3.0
59.01248	39.4
61.98674	4.3
69.03308	2.8
71.01257	32.9
72.99194	2.8
73.02798	4.3
75.00737	2.0
78.91789	2.3
81.03300	2.7
83.01250	2.8
83.04880	2.6
85.02808	7.8
87.00751	7.5
89.02319	28.4
95.01247	4.1
95.04907	2.4
96.95853	2.2
97.02821	5.4
98.19785	5.5
99.00748	2.0
101.02329	19.4
109.06468	2.5
113.02289	11.5
119.03366	5.4
123.00806	2.8
125.02358	10.0
135.08047	2.7
161.04420	4.7
169.01376	4.4
169.12224	4.6
171.10153	3.6
179.05496	8.3
197.11693	6.6
207.10155	3.3
209.11723	9.9
211.13264	3.0
213.14876	3.0
221.06516	3.4
225.11176	2.4
227.07840	1.9
235.08199	3.9
253.09282	4.6
263.07611	2.4
267.19638	1.8
281.47842	1.9
293.21149	2.3
300.99646	3.4
324.18433	1.9
325.25317	5.7
341.23367	4.8
343.26248	5.3
351.22931	2.1
359.25906	4.9
369.24197	8.3
387.25409	19.3
397.13345	13.4
405.26431	47.3
406.26944	3.2
479.29926	2.7
541.07263	2.0
753.40369	6.2
785.39618	100.0
786.40094	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	785.397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	3.6
58.00452	2.2
59.01253	34.0
61.98693	2.4
68.57626	1.2
69.03327	2.7
70.03117	5.9
71.01258	31.8
72.99192	3.2
73.02818	6.4
75.00732	2.1
78.95747	1.2
81.03322	2.4
83.01263	2.7
83.04876	2.4
85.02821	7.5
87.00758	9.8
89.02322	27.1
93.03282	1.2
95.01241	3.1
96.95874	5.9
97.02828	6.0
97.06477	2.6
99.00739	2.0
101.02323	20.3
109.02866	1.5
109.06427	3.8
111.00738	1.3
111.08008	1.4
111.92244	1.3
113.02319	8.5
119.03387	6.2
125.02328	10.8
135.08047	1.9
137.09636	1.4
143.03357	2.8
161.04414	3.7
163.11179	1.3
167.65572	1.2
169.01340	4.1
171.10085	2.9
179.05539	14.4
179.10698	1.3
181.12236	1.8
197.11743	4.9
207.10139	3.3
209.11772	7.6
211.13257	3.3
213.14981	2.7
221.06615	4.3
225.11270	3.2
227.12926	1.4
231.17499	1.4
235.08272	1.8
237.14922	1.2
239.16473	2.7
241.17926	1.6
253.09138	2.1
263.07794	3.1
275.16602	2.0
277.18372	1.3
289.18027	1.4
291.19397	1.2
300.99701	2.3
307.19110	2.5
314.01425	1.3
315.26990	3.4
317.28415	1.5
318.55157	1.3
325.25415	5.8
341.24380	3.9
343.26459	6.1
351.23209	2.1
359.26047	8.9
361.27408	2.7
369.24164	9.1
377.27078	1.7
385.48193	1.3
387.25403	20.8
388.25882	2.3
397.13486	15.8
405.26456	54.3
406.26749	6.4
426.14584	1.2
477.06604	1.3
479.30182	2.5
767.38733	1.6
785.39642	100.0
786.40094	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	785.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37282	0.7
57.03328	0.9
58.00458	1.1
59.01251	19.5
61.34820	0.8
61.56514	0.8
61.98687	2.2
62.56717	0.8
69.66444	3.1
69.66876	3.7
71.00892	1.6
71.01256	20.6
72.99150	1.6
73.02826	8.0
80.04929	3.4
83.01254	2.1
84.44337	0.9
85.02821	6.8
87.00743	2.9
89.02316	8.2
95.01274	2.0
96.95882	3.0
98.20566	1.1
99.00769	1.7
101.02323	7.2
104.04959	1.1
106.06495	8.3
108.04401	1.6
113.02329	6.2
119.03373	1.9
122.06021	4.4
125.02366	0.9
130.02841	1.4
132.04431	5.4
134.06021	41.3
146.06030	1.6
150.05479	1.5
152.07082	6.8
158.02373	2.9
160.03995	5.6
160.06352	1.2
161.04483	1.0
169.01512	1.0
169.02896	1.0
174.05453	1.3
188.12572	0.9
190.05002	7.0
192.06580	3.0
211.08757	1.2
213.10304	9.9
221.88531	0.9
223.08713	2.1
225.10265	3.4
227.11862	3.1
233.10847	1.2
235.08740	1.7
237.10323	1.9
239.11867	4.2
241.13274	1.3
247.08635	1.1
249.10278	2.3
251.08221	1.2
251.11836	2.9
262.07510	1.5
263.08224	1.3
265.09937	2.0
267.11420	7.7
268.11554	1.0
277.06177	1.0
277.09778	2.7
278.10547	1.3
279.11380	2.2
285.12396	5.9
291.07813	1.1
291.11234	1.9
293.09207	1.5
300.99936	1.8
301.12180	1.4
305.09558	5.4
309.12292	1.1
313.13034	1.4
316.14557	6.1
317.14850	1.2
324.11285	1.6
327.13483	5.7
328.10699	2.6
328.14493	2.4
337.11978	3.9
338.13312	1.1
340.11023	1.4
340.14557	16.6
341.14893	2.1
342.12457	2.2
343.13217	1.7
344.14008	1.9
352.10770	1.6
355.13104	1.2
356.14020	6.0
357.14658	2.1
358.15677	6.1
359.16168	1.0
366.12375	2.1
367.13214	1.4
368.10312	2.7
368.14041	3.0
369.14853	1.2
370.15521	2.7
372.13455	1.7
372.17557	1.4
382.11655	2.4
382.15668	3.4
383.12656	1.8
384.13431	12.6
384.17590	1.5
385.13705	2.1
386.15350	1.0
395.12506	1.2
396.13477	3.9
397.14114	2.2
398.15018	12.0
399.15131	1.4
400.16623	2.9
410.15051	3.6
412.16614	6.0
416.15942	1.1
423.12088	1.3
426.14423	4.4
438.14545	4.8
444.15640	1.7
475.17395	1.1
489.19452	1.6
491.20877	1.4
503.20630	1.5
505.22610	1.5
531.20544	2.0
532.20721	1.1
545.21924	2.5
547.24097	1.5
573.21313	3.8
591.22253	5.2
592.23083	3.8
605.24579	1.3
609.23822	1.1
633.22833	1.7
685.28632	4.4
711.26733	4.1
712.27466	4.0
725.28748	2.6
753.27759	100.0
754.28168	23.8
785.30402	59.8
786.30682	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	785.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	2.2
59.01250	19.6
61.98697	3.9
67.77200	1.3
71.01252	18.9
71.19873	1.3
71.57870	1.9
72.99168	2.4
73.02812	4.8
73.60606	1.3
80.04915	2.3
80.96432	2.1
83.01254	3.6
85.02841	6.9
87.00731	2.2
88.98675	3.4
89.02303	7.2
89.76085	1.6
91.43244	1.4
95.01262	4.0
96.95882	10.9
99.00779	2.9
101.02320	6.0
104.04929	1.6
106.06512	4.6
107.01273	6.0
108.04389	1.6
113.02322	7.0
121.02863	1.7
122.05988	4.1
123.00772	8.9
124.01518	2.1
125.02345	31.2
129.67093	1.3
132.04453	5.9
134.06013	29.9
137.02431	1.4
139.00301	2.0
140.01028	3.4
150.03030	1.9
151.00275	3.9
152.07047	5.3
160.03923	2.9
161.02216	1.3
161.04376	1.6
165.05418	2.8
166.99780	2.2
168.00551	3.4
169.01341	36.6
170.01711	2.3
179.29907	1.3
190.04999	3.4
195.06494	1.9
207.99339	1.3
211.02399	4.0
213.10242	8.2
225.10333	2.9
227.11763	2.4
229.01300	1.7
239.11789	3.6
241.13365	1.7
249.03853	1.6
249.10542	2.9
251.11775	2.0
263.08377	2.7
267.11404	7.5
277.09842	2.7
279.11578	1.7
285.12296	2.2
299.99240	2.2
300.99841	10.0
301.03094	2.1
302.00049	1.7
305.09299	4.0
313.12927	1.7
316.14368	3.4
327.13474	5.3
337.12042	4.5
340.14551	12.9
341.15155	1.8
344.14063	1.9
356.13882	3.9
357.14267	1.7
358.15530	6.2
366.13046	1.5
368.10165	2.5
370.15778	3.2
379.13150	2.4
382.11581	2.7
382.15912	2.1
384.13269	7.8
387.15530	1.7
388.49161	1.5
396.13306	2.2
398.15112	6.0
399.15350	1.7
412.16965	2.9
426.14801	2.5
438.14441	2.5
451.58566	1.7
458.89999	1.9
481.17111	4.9
491.21027	2.1
591.22400	5.8
592.23126	2.6
615.16498	2.2
633.17975	14.1
634.18158	3.3
662.23468	2.0
665.26575	2.3
685.28497	2.1
711.26318	5.7
712.27716	3.5
725.28033	2.5
753.27759	100.0
754.27899	17.8
757.30829	2.4
785.19159	6.8
785.31183	37.3
786.30811	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	785.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48206	1.1
59.01252	13.6
61.98700	13.1
63.06086	1.3
66.04790	1.1
67.01730	1.4
71.01251	17.9
71.58102	1.7
72.99173	2.5
73.02815	5.6
78.95767	5.8
78.98473	1.6
79.95608	4.9
80.04909	1.8
80.96397	10.7
83.01270	2.2
85.02823	5.9
87.00754	2.8
88.98672	3.0
89.02309	5.7
92.04881	1.3
94.97978	2.6
96.95892	100.0
99.00706	1.6
101.02335	8.6
106.06503	5.3
107.01254	1.7
108.37820	1.3
110.98405	2.7
111.00768	1.9
111.01862	1.7
113.02315	5.6
119.03380	2.6
121.02795	1.3
122.06027	2.2
123.00759	1.4
125.02306	5.7
132.04419	2.1
134.06024	26.8
152.07048	4.0
158.02426	1.2
160.03900	2.9
161.02315	3.1
164.98457	1.9
169.01349	8.4
180.68106	1.5
190.05032	2.7
192.06538	1.6
206.99750	1.4
209.11745	4.1
213.10310	7.0
225.00639	3.6
225.10405	1.5
227.11790	1.6
239.11858	2.8
251.11929	1.5
267.11456	4.1
275.01962	3.4
277.09686	2.0
285.03973	5.2
285.12329	3.7
293.09167	1.4
298.98425	1.5
300.99896	8.4
305.09262	1.9
316.14465	5.0
327.13470	3.5
340.14542	9.4
344.14117	1.9
356.14001	2.5
358.15543	2.6
368.10266	2.1
382.15826	2.2
384.13425	7.0
396.13214	2.0
398.14819	5.3
400.16809	1.5
410.15317	3.1
412.16599	4.1
426.14484	2.1
438.14447	2.5
444.15335	1.6
489.18805	1.4
499.11957	1.7
515.14056	2.9
562.97461	1.6
573.21136	3.3
591.22009	3.6
632.64850	1.8
681.28015	8.8
685.28625	2.4
711.26862	2.3
712.27051	2.8
725.28131	2.0
753.27704	67.8
754.28143	14.9
785.30475	45.5
785.44470	3.0
786.30487	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	785.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
83.12639	0.5
95.01266	1.0
96.29131	0.6
123.00765	2.6
125.02322	4.9
145.02844	1.5
159.04443	0.9
161.02385	0.9
167.58325	0.6
169.01395	5.8
173.02361	2.2
175.03922	1.3
184.41304	0.7
185.02390	3.1
187.03926	1.0
189.01854	1.8
191.03383	0.8
201.01859	3.1
203.03432	3.4
217.01433	2.4
219.02928	1.7
229.01411	7.3
230.01820	1.0
231.03070	3.5
245.00873	5.6
247.02487	2.2
248.03238	1.4
249.03911	4.4
257.00919	4.9
258.01648	1.9
273.00369	8.1
274.01117	3.2
275.01978	19.9
276.02261	1.7
283.99603	1.4
291.01447	0.9
299.99078	2.4
300.99899	100.0
302.00204	7.6
329.02982	1.3
341.68640	0.7
387.41763	0.6
419.06091	1.2
463.05246	2.7
615.06213	1.2
633.07318	89.9
634.07605	13.0
785.08429	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	785.0842
Annotation	Tercatain
Peak:m/z	Relative Intensity
55.09799	0.4
58.87431	0.5
71.01281	0.4
75.52289	0.4
79.41587	0.5
82.33042	0.6
95.01260	1.0
107.01288	1.4
123.00761	3.0
124.01564	0.7
125.02341	9.8
131.04959	0.6
145.02847	1.6
147.04433	1.9
151.00264	0.9
157.02814	0.5
159.04430	1.7
161.02365	1.0
163.03905	0.9
163.69647	0.5
168.00591	0.7
169.01347	11.7
173.02368	2.0
174.03140	0.6
175.03877	3.0
177.01868	1.3
185.02354	1.8
187.03842	0.6
189.01880	0.8
190.02617	1.2
191.03439	1.8
201.01880	2.2
203.03447	5.0
205.05174	0.5
213.01903	1.5
214.02637	0.6
217.01407	1.5
219.02960	1.8
221.04665	0.7
229.01367	6.7
230.02002	0.8
231.02971	8.2
245.00917	3.4
246.01237	0.8
247.02429	3.0
248.03242	4.9
249.04018	18.8
250.04318	1.2
257.00891	5.6
258.01651	2.5
273.00354	3.5
274.01151	2.3
275.01974	50.5
276.02332	2.2
283.99585	1.6
291.01428	1.5
293.03052	0.7
299.99115	2.4
300.99893	100.0
302.00183	6.8
313.05664	1.5
329.64990	0.5
419.06195	2.9
437.07169	1.0
445.04114	2.1
463.05298	3.0
465.06613	1.8
483.07880	0.7
506.72281	0.7
589.08051	2.6
615.06195	5.6
616.07477	0.7
633.07172	19.3
634.07831	2.4
713.65039	0.6
774.50214	0.6
785.08423	31.9
786.08704	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	785.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79887	0.4
62.16917	0.4
69.02231	0.4
71.01080	0.8
95.01272	0.9
107.01257	0.9
112.97083	0.5
113.02321	0.4
123.00777	1.5
125.02356	6.9
130.04245	0.5
133.02881	0.5
137.02377	0.6
139.00276	0.6
145.02853	1.2
147.04420	1.1
157.02901	0.6
157.42146	0.4
161.02357	0.6
163.03912	0.8
165.34901	0.4
166.99789	0.4
169.01324	5.8
173.02411	2.0
175.03963	1.6
177.01848	1.0
185.02391	2.3
187.03978	0.5
189.01883	1.5
190.02620	0.4
191.03406	0.8
201.01895	2.3
203.03415	2.3
207.02815	0.5
213.01958	0.6
217.01384	1.3
219.02855	0.8
229.01375	6.3
230.02080	0.7
231.02922	2.1
244.00206	0.4
245.00883	2.9
247.02419	1.7
248.03264	1.0
249.04019	2.6
257.00940	4.3
258.01593	1.4
270.98978	0.5
273.00394	4.0
273.36484	0.5
274.01236	1.6
275.01974	17.3
276.02292	1.0
283.99713	2.0
299.99136	3.1
300.99899	100.0
302.00262	6.6
313.05579	1.2
315.01321	0.5
343.00781	0.9
355.37177	0.4
385.01999	0.5
419.06482	0.5
437.07370	1.2
445.04031	0.9
463.04913	4.2
465.06891	0.6
615.06158	6.3
616.07001	0.9
633.07361	2.6
634.07385	0.7
785.08484	10.9
786.08978	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	35.4
61.98705	2.5
64.59713	2.2
71.01255	14.3
71.14907	4.9
73.02835	2.2
78.95774	9.9
79.95626	14.9
80.96397	28.5
81.95190	8.6
82.95981	6.1
83.01212	2.6
83.04921	3.7
85.02817	2.9
87.00724	2.9
89.02335	3.2
94.97980	4.7
95.91552	1.9
96.96802	3.2
97.02850	5.4
101.02314	7.0
107.76416	2.2
109.06488	25.5
112.69509	2.2
113.02331	3.8
117.06976	7.2
134.97438	2.3
135.07994	2.8
142.02649	2.6
148.99069	2.6
152.99542	2.3
161.04364	2.5
163.11211	14.6
164.98549	4.1
169.12228	7.8
181.12227	3.3
185.11758	9.9
199.13339	21.3
207.10217	90.1
208.10558	6.4
209.11734	11.1
211.13387	2.8
225.00684	7.5
225.11279	31.9
227.12798	19.9
235.08165	5.2
241.01207	3.4
253.09261	18.2
255.23257	6.2
260.35175	2.2
277.21722	100.0
278.22061	5.9
279.23285	70.3
280.23639	6.3
443.19086	2.7
461.20581	11.7
723.43243	31.2
724.43964	4.8
765.40228	14.5
783.41431	33.2
784.42706	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	783.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	13.1
71.01266	6.3
71.56431	2.4
75.00793	2.1
78.95789	7.7
78.98468	1.9
79.95628	5.8
80.96393	21.7
81.23109	1.6
81.95189	2.3
82.95973	3.7
83.04897	1.8
85.02826	2.6
89.02321	2.1
94.97973	4.5
97.02831	2.0
101.02334	6.0
109.06479	14.4
110.64901	1.7
120.21209	1.8
126.00105	1.7
134.97408	1.8
136.96082	1.7
152.98422	2.0
160.82861	1.8
163.11194	5.2
164.98602	3.1
185.11769	1.8
199.13364	3.3
207.10204	47.6
208.10611	1.9
209.11754	8.1
211.13382	4.2
225.00739	6.5
225.11311	14.6
227.12862	3.8
235.08212	5.0
241.01270	1.9
253.09271	7.6
255.23360	4.3
277.21890	11.3
279.23303	100.0
280.23694	7.9
359.18329	1.9
396.72272	1.8
443.19604	2.2
461.20108	2.8
502.23819	1.9
652.16522	2.7
723.43115	20.7
724.43597	5.1
765.40692	7.2
783.41589	29.2
784.42334	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	783.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87717	1.1
59.01244	9.3
61.56515	1.2
61.98698	4.2
71.01241	2.6
76.77254	1.5
78.95779	2.0
89.02305	3.2
89.45621	1.4
101.02323	4.3
102.78561	1.6
119.03400	1.8
143.89809	1.4
167.14400	1.4
183.13760	4.6
193.12329	1.9
195.13817	4.8
209.11787	21.6
211.13341	100.0
212.13618	3.5
223.13242	3.4
225.11299	4.2
227.12767	3.5
229.58305	2.2
235.08154	3.5
253.09265	14.3
275.20154	4.1
277.21677	18.5
278.21982	4.7
286.16739	3.3
293.17993	3.2
293.21219	55.7
293.24484	3.1
294.21524	6.3
300.99774	2.3
447.22379	6.8
487.33893	1.8
491.42593	1.8
529.30450	2.2
610.55463	1.6
626.93665	1.7
650.80182	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57033	0.9
59.01253	9.5
61.98708	20.9
63.96101	1.3
69.03318	1.8
69.41589	4.2
69.42007	4.4
70.41113	1.0
71.01256	10.3
73.02799	2.8
78.95783	8.6
78.98470	7.6
79.95606	15.2
80.96391	88.1
81.03321	1.3
82.95960	1.9
85.02804	4.1
87.00757	3.8
94.97961	20.3
96.95885	2.5
96.96856	1.8
97.02820	1.6
98.03181	1.3
99.00723	1.3
101.02333	3.3
103.30936	1.2
106.97964	3.9
113.02365	1.1
122.97459	3.6
125.02311	3.6
134.97485	6.1
136.99017	2.0
148.99077	7.8
152.98482	6.1
164.98544	13.2
167.00085	1.4
185.11696	3.0
199.13351	5.6
201.11269	1.6
206.99585	2.8
207.10248	3.0
209.11810	13.4
210.12083	2.7
211.13391	1.6
225.00700	23.2
227.12865	8.0
241.01268	1.8
241.79704	1.1
253.09239	1.8
255.23253	4.5
277.21722	21.9
278.22110	3.1
483.15225	2.5
509.16281	1.2
545.86646	1.0
739.39081	5.2
765.40991	3.2
782.41711	1.9
783.42017	100.0
784.42212	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	783.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40564	1.2
59.01252	1.6
63.47610	1.2
66.92559	1.2
71.01273	1.7
71.57202	2.2
85.02840	2.8
93.03321	3.1
101.10563	1.3
107.01270	1.9
111.04404	1.8
117.03368	3.7
123.00782	6.2
125.02325	9.0
134.03639	72.8
135.03963	1.5
139.00279	2.1
149.06007	6.8
151.00276	4.6
155.03471	2.5
168.00587	2.2
169.01324	13.9
173.04442	6.0
191.05550	29.7
192.05916	2.0
193.04994	100.0
194.05377	5.6
211.02345	2.1
217.01532	1.5
249.15193	1.6
271.04700	2.5
273.00415	2.2
275.02289	2.0
300.99817	9.1
367.10315	33.7
368.10754	2.4
415.12473	67.7
416.12921	5.0
648.41516	1.7
772.44006	1.4
774.85376	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	783.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	12.6
60.99162	3.7
61.98704	32.3
71.01269	11.2
71.57629	3.0
72.99203	4.9
73.02807	2.8
73.90871	2.0
75.00741	8.2
78.95773	4.8
79.86008	2.1
79.95618	2.4
80.04945	2.4
85.02817	3.7
87.00768	6.6
88.98688	14.7
89.02334	7.5
96.95894	36.4
96.96853	3.0
101.02329	8.9
106.06496	3.8
106.40843	2.2
111.00844	2.4
113.02335	3.6
125.02367	9.4
128.17874	2.7
134.06027	27.2
169.01311	15.4
209.11688	7.4
247.08629	3.1
249.10336	3.0
261.10126	2.2
275.01898	2.6
277.09927	5.8
289.10034	3.2
299.99380	3.6
300.99835	9.3
365.11658	3.0
366.12363	4.2
368.13837	3.3
379.13223	5.2
380.14081	8.3
382.15894	2.9
392.14233	3.3
393.11029	5.8
394.11667	5.3
396.13269	3.1
407.12814	3.5
408.13565	16.7
409.14328	4.5
410.15137	10.0
422.14993	6.8
423.15881	5.6
424.16525	8.0
450.14951	2.5
469.15979	3.5
510.16647	3.9
570.19043	3.8
571.19971	3.7
591.22766	3.7
629.20093	42.1
630.21033	24.8
631.21771	5.2
659.77655	3.2
661.22900	5.8
691.24286	3.3
724.92578	2.9
737.38202	2.6
751.26166	100.0
752.26801	22.1
783.26563	11.1
783.40900	4.5
784.28308	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	783.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	6.3
61.98706	2.9
63.02263	3.1
63.22556	1.1
65.00188	5.6
71.01245	4.4
83.01242	5.2
89.02325	2.8
93.03330	1.8
95.01308	3.3
96.95883	6.1
98.19803	2.3
101.02357	3.6
107.01286	10.2
109.02833	3.1
113.02389	1.3
115.21445	1.3
121.02845	9.4
122.03664	1.5
123.00771	4.6
125.02350	13.4
137.02263	1.7
149.02342	3.7
150.03114	5.8
151.00279	32.4
161.02332	3.4
163.00246	3.4
165.05443	5.9
166.06190	2.2
166.99808	3.2
168.00494	2.2
169.01369	21.5
175.03859	2.1
177.01746	1.5
178.99828	13.0
181.04959	1.9
182.80296	1.5
185.02396	1.5
189.01854	2.1
189.38002	1.4
190.02560	2.0
193.01315	1.9
195.06520	5.3
200.01147	1.6
201.01877	2.7
216.00587	2.2
217.01343	2.5
227.20769	1.3
229.01489	4.6
229.05070	1.8
245.00853	3.7
245.04312	1.7
247.02460	1.9
255.03061	3.4
257.00824	2.9
271.02560	4.5
272.03058	1.7
273.00366	5.3
273.03867	2.4
274.01114	4.3
275.01941	6.2
283.02649	1.6
285.03848	1.6
299.99091	4.7
300.02689	8.1
300.99866	46.3
301.03516	100.0
302.00122	4.9
302.03806	8.7
347.00507	2.9
401.66800	1.3
463.04959	2.8
481.13824	2.8
528.41302	1.9
610.35638	1.5
614.04913	2.2
615.09509	2.3
631.16766	2.8
632.06537	31.8
632.16931	1.7
633.06970	5.3
684.87689	1.3
783.18280	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	783.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02294	1.4
59.01253	3.7
60.48656	1.6
65.00202	5.0
67.01758	4.4
68.22459	1.6
69.25133	2.0
69.25526	19.0
71.01254	6.4
79.01742	1.8
83.01263	6.7
85.02837	3.1
89.02345	2.1
95.01280	6.9
96.95885	1.7
101.02345	2.7
104.00048	1.7
107.01270	12.4
109.02859	4.2
109.99995	2.3
111.00769	21.0
113.02298	3.4
121.02858	2.6
123.00775	25.2
124.01593	4.3
125.02343	55.7
136.98764	2.8
137.02356	3.6
139.00288	31.2
140.01112	3.7
145.02859	2.0
149.02359	2.9
149.95644	1.7
151.00291	27.0
153.01660	1.8
161.02306	2.4
163.00334	2.8
164.01056	2.2
165.01799	2.2
166.99776	46.3
168.00543	10.0
169.01343	83.4
170.01707	4.3
175.03899	2.9
178.99745	8.6
185.00908	10.3
185.02327	1.9
191.03407	1.7
192.99628	1.8
193.01334	7.1
199.04112	2.3
201.01801	2.2
203.03438	1.7
204.18044	1.7
211.02448	10.2
229.01535	2.6
243.02945	4.9
247.02448	3.0
253.03473	2.0
255.02921	5.5
271.02356	16.6
271.04517	2.2
272.02716	2.4
275.01935	2.9
295.04486	3.5
299.01959	19.1
299.99313	2.9
300.02643	19.7
300.99847	17.5
301.03516	33.0
313.05664	94.0
314.06009	6.2
315.01752	2.4
316.02118	7.3
317.02887	18.4
457.41623	2.0
463.08881	5.8
465.06754	100.0
466.07315	9.1
481.06195	19.9
483.07767	7.2
615.09668	15.9
616.10394	2.2
631.09259	6.7
751.45837	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	783.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.0
61.18092	1.6
65.00202	5.0
67.01751	3.5
69.92689	1.6
71.01249	8.7
71.57289	2.3
71.57657	2.9
74.56748	1.6
78.31881	1.6
83.01261	4.7
85.02857	2.7
93.03347	2.4
95.01280	6.1
96.95898	4.2
97.02835	3.5
101.02335	3.8
107.01264	18.5
109.02850	5.6
110.00025	1.7
111.00771	20.4
113.02380	2.1
121.02820	4.2
123.00762	22.2
124.01636	2.4
125.02345	58.4
126.02676	2.9
136.98683	2.4
137.02399	3.4
139.00272	32.8
140.01123	3.2
149.02370	3.9
150.99132	2.7
151.00279	36.3
153.01958	2.2
161.02368	3.7
163.00279	3.2
164.01047	2.6
165.01755	2.0
165.98941	2.9
166.99779	39.0
167.03363	2.4
168.00510	8.3
169.01349	85.3
170.01692	4.0
175.03992	1.9
178.99791	14.6
179.03470	1.9
180.00027	2.0
182.53766	2.2
183.02969	1.7
185.00877	10.2
185.02260	2.0
191.03560	2.1
191.05557	4.3
193.01344	7.6
199.03978	4.5
201.02052	1.9
201.05476	1.8
203.03503	3.7
211.02370	5.0
215.03468	2.4
227.03453	2.1
233.01193	2.1
243.03018	5.9
247.02519	2.5
255.02924	14.6
271.02408	22.7
271.04813	1.7
272.02905	2.0
273.00586	3.0
273.03778	2.5
275.01874	3.4
284.03342	2.5
285.04086	14.3
287.01859	2.5
295.04614	2.1
297.06293	2.4
298.98584	3.8
299.01923	23.5
299.99380	3.1
300.02744	28.2
300.99884	12.2
301.03519	45.9
302.00327	2.0
302.03799	2.5
313.05637	60.9
314.06052	4.5
315.01321	3.0
316.02060	9.8
317.02960	28.7
329.05188	8.7
367.15915	2.0
384.76465	2.0
459.11606	2.5
463.09219	4.4
465.06720	100.0
466.07379	8.3
481.06219	17.9
520.94556	1.9
609.12903	2.8
615.09912	34.8
616.10095	2.5
631.09436	8.2
783.10077	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	783.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40362	1.5
58.60407	1.2
59.01250	1.7
65.00186	6.3
67.01767	3.7
69.03346	1.6
71.01262	9.1
73.78064	1.4
82.86392	1.1
83.01250	5.7
85.02826	1.5
89.02341	1.2
91.88918	1.0
93.03303	1.9
95.01265	3.6
97.02847	1.2
97.97991	1.2
101.02330	3.7
107.01273	15.6
109.02824	4.3
111.00758	20.6
113.02332	2.8
113.75429	1.3
121.02854	6.8
123.00774	17.8
124.01531	1.5
125.02343	58.0
133.02850	1.2
135.04408	1.6
136.98656	2.4
137.02328	2.4
139.00281	35.8
140.00992	2.8
141.01801	1.4
149.02345	3.8
150.03154	1.9
150.99133	2.1
151.00279	34.0
151.03891	1.3
152.00645	1.3
161.02443	2.1
163.00266	3.9
163.03998	1.3
164.01062	4.3
165.01807	1.5
165.99004	1.8
166.99779	41.3
167.03404	1.7
168.00601	6.6
169.01346	85.4
170.01759	1.2
172.48094	1.3
177.01733	1.3
178.99789	14.5
179.03514	1.4
182.99341	2.0
185.00917	10.8
190.99866	1.8
191.03609	1.2
193.01366	7.9
194.99205	1.5
199.03903	2.8
201.01727	1.3
211.02412	6.1
211.04131	1.3
215.03445	1.8
217.41423	1.6
223.02553	1.9
227.03409	3.7
231.02922	1.3
235.02379	1.9
243.03015	4.5
255.02939	10.2
256.03412	1.9
257.04584	1.7
259.02289	1.3
271.02481	23.8
271.05133	2.6
272.02924	3.3
273.04163	2.5
284.65268	1.3
285.04016	7.6
287.01904	2.5
295.04633	2.1
297.06180	2.5
299.01962	24.8
300.02692	32.7
300.99951	5.8
301.03479	50.3
302.03677	4.8
313.05655	68.3
314.05914	2.0
315.01572	4.9
316.02130	8.8
317.02975	28.5
329.05121	8.8
463.08823	5.4
465.06726	100.0
466.07260	9.8
480.05289	1.9
481.06232	23.3
482.06558	2.3
517.74457	1.4
615.09943	46.1
616.10529	5.5
631.08978	7.4
758.23883	2.1
783.10010	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	782.5188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01223	0.9
66.03348	0.7
71.02374	0.7
71.57330	0.9
71.57718	0.7
78.95772	0.6
80.04922	0.9
82.06489	1.9
87.05553	6.7
88.03922	0.6
94.06464	0.5
97.04040	0.6
98.02367	1.5
106.81126	0.6
110.03492	0.8
111.01944	0.6
111.05586	0.7
112.07542	2.6
113.03454	1.5
116.04927	1.0
118.06506	1.0
121.03976	2.6
123.09174	0.6
125.02332	0.8
127.08671	1.0
129.10234	22.5
130.08615	2.4
132.13818	0.6
139.08675	4.7
140.07104	4.1
146.06015	2.6
151.08653	0.6
153.10223	1.6
155.08189	4.8
155.11826	1.7
160.54614	0.6
164.07198	0.6
164.09459	5.1
165.10268	6.3
167.08197	1.1
167.10480	0.6
169.01341	0.9
174.05455	0.7
180.11343	1.1
182.12915	3.2
182.34399	0.6
183.11301	3.1
195.14929	2.0
197.16512	4.7
199.18079	0.7
200.13998	4.9
207.14978	18.8
208.13448	0.8
208.15320	0.8
209.11795	1.0
214.12254	1.4
224.17639	8.6
225.16019	3.2
226.11948	1.0
231.14960	0.8
234.12294	0.6
240.51984	0.6
241.13431	3.8
242.11858	2.6
242.18712	16.1
243.19142	0.9
258.93945	0.6
259.14539	5.2
260.06400	0.7
268.16681	1.5
268.20020	0.7
270.21991	0.6
276.17218	1.1
295.21378	9.4
300.99814	0.9
312.17123	3.3
313.22528	3.4
329.19849	1.9
330.18213	1.9
337.22098	0.4
337.26065	10.5
338.26486	0.9
347.20874	1.6
354.49054	0.6
355.27185	3.7
371.24457	1.4
389.25613	1.1
426.30511	0.6
443.26376	0.7
539.39331	4.8
556.35071	1.4
573.37720	6.5
574.37518	1.6
615.42175	2.4
668.37262	0.6
782.51880	100.0
783.52228	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	782.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.4
60.99173	0.4
61.98705	100.0
62.98417	0.3
71.01260	0.4
71.15176	0.4
72.99199	0.3
75.00766	0.6
78.37858	0.2
80.96393	0.2
85.02837	0.2
88.98679	1.8
96.95892	0.8
101.02348	0.2
116.92783	0.2
123.00770	0.4
125.02368	0.8
130.79594	0.1
166.99782	0.2
169.01390	1.0
171.10196	0.2
172.85077	0.1
181.84320	0.2
182.85208	0.2
200.98341	0.2
209.11905	0.6
273.00409	0.2
275.02078	0.2
298.98471	0.2
300.99960	0.7
316.77985	0.2
349.23788	0.2
508.50986	0.2
535.84363	0.2
668.69757	0.2
783.37909	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57316	0.5
55.01754	0.6
59.01254	16.4
69.93215	3.3
70.21838	0.6
71.01262	4.3
73.02803	0.8
76.99883	0.5
78.95776	6.1
79.95621	0.8
80.96388	4.2
81.70327	0.5
83.01270	1.5
83.04891	1.4
85.02819	1.1
85.87561	0.6
87.00731	1.0
89.02312	2.5
89.68600	0.5
94.97979	0.7
96.96855	1.6
97.02836	6.6
97.06466	1.3
99.00758	9.7
101.02332	2.3
109.06462	3.1
110.03651	0.9
113.02341	1.8
125.02355	1.2
125.09640	2.7
135.08087	1.5
136.05197	1.4
142.02629	2.3
152.99529	1.0
161.04445	0.8
163.11191	7.5
179.10695	0.9
181.12267	16.8
182.12628	1.4
189.09087	0.7
197.11687	0.8
199.13358	1.3
207.10207	51.0
208.10544	2.6
209.11789	5.1
225.00703	1.4
225.11275	100.0
226.11613	4.9
235.08211	2.2
241.01152	2.3
243.12372	11.5
244.12724	0.7
253.09273	2.8
255.23254	3.3
272.30920	0.7
277.21719	86.2
278.22052	6.8
299.14832	1.1
317.16061	1.0
321.43427	0.6
443.19147	3.7
461.20267	41.4
462.20514	3.7
554.79224	0.6
563.04883	0.6
638.43237	0.6
721.41614	23.2
722.41986	5.1
781.41125	11.1
782.41577	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	13.5
60.99170	9.9
61.98699	13.6
63.41965	3.9
71.01262	6.0
71.57230	4.3
72.99181	13.4
75.00745	6.5
83.58390	3.2
88.98679	47.9
89.02326	7.0
95.01231	3.8
96.95869	8.3
101.02355	5.2
107.01237	3.5
112.52467	3.7
120.24191	3.7
123.00741	4.3
125.02351	11.4
148.44101	3.6
154.46448	3.5
156.33293	3.5
165.12839	4.3
168.80798	3.2
169.01317	18.8
169.19563	3.1
183.13873	4.9
209.11772	85.7
210.12129	4.6
211.13321	100.0
212.13586	5.7
227.12755	12.5
300.99927	10.1
339.93033	4.4
343.05237	4.1
368.10458	3.5
445.20508	6.2
447.22229	5.2
781.35510	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.4
61.09965	0.8
70.31897	3.1
70.63174	0.7
78.95779	69.5
79.95605	5.2
80.02522	1.8
80.96396	11.7
81.03323	2.0
83.04893	8.1
84.02036	2.0
85.02819	1.1
87.00757	1.6
94.97948	2.8
95.04892	1.3
96.96846	15.6
101.02348	0.9
134.97478	1.3
134.98454	0.9
135.08055	0.9
148.98941	0.7
152.99516	17.3
163.11209	6.7
164.98531	1.8
165.12737	2.4
181.12091	0.9
191.10738	2.5
207.10272	0.9
209.11774	62.6
210.12083	3.2
222.19644	0.7
223.00084	3.7
225.00624	3.0
227.12936	4.2
241.01166	37.1
255.23279	32.6
256.23636	3.5
259.02310	2.6
297.04028	0.9
315.04831	0.9
340.69998	1.0
363.12057	3.1
365.27484	0.9
391.22647	3.1
420.14780	0.9
489.70731	1.0
525.17310	1.5
547.05676	0.8
553.28015	1.1
763.39374	2.1
781.41376	100.0
782.41614	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	781.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	2.1
71.01237	1.9
71.58607	1.0
72.99181	1.1
88.98638	1.4
91.72746	0.9
93.03324	3.7
95.01254	1.1
95.04908	1.0
96.95902	2.9
97.02819	1.1
101.02289	1.4
107.01264	1.3
108.02020	1.6
121.02847	9.8
121.90753	0.9
122.03634	13.3
123.00807	1.6
123.04438	1.3
125.02348	5.6
132.02077	1.4
133.02861	1.6
135.04437	1.5
136.01526	1.5
137.02409	2.2
149.02351	36.4
150.03137	86.6
151.00273	1.4
151.03635	3.5
160.01558	3.3
161.02281	1.4
162.03146	1.2
163.03993	1.5
164.04657	9.3
164.55563	1.0
165.05492	89.2
166.05867	3.0
169.01312	5.2
175.02519	1.2
175.03899	4.7
177.01811	0.9
180.04214	7.7
181.04964	1.4
195.06573	64.9
196.06970	2.1
207.02954	1.2
209.11839	1.8
214.06642	1.1
225.07669	1.6
238.06255	1.1
239.07185	1.2
240.07930	1.2
242.09401	2.9
246.08887	1.4
257.11819	2.4
258.09055	1.4
267.06628	3.2
268.07391	1.5
269.08173	3.5
270.08994	10.6
271.09235	1.6
281.08044	1.2
283.09659	1.7
284.06915	2.6
285.07834	2.8
285.11325	11.8
286.08459	3.1
293.08896	1.0
295.09683	1.1
297.07672	1.2
298.08423	4.8
299.09311	10.1
300.40482	1.1
300.99820	6.5
301.03244	2.1
301.10794	3.4
302.00455	1.1
310.08527	3.1
311.09183	4.9
313.07129	3.7
313.10794	8.9
314.07977	10.8
324.10110	2.0
325.10867	5.8
326.07837	3.7
326.11661	3.1
327.08762	1.7
327.12387	1.5
328.09421	4.7
328.12982	2.0
329.10297	27.8
329.13873	2.2
330.10724	4.2
341.10321	30.3
341.14288	2.2
342.10696	2.5
343.11874	37.7
343.15997	2.0
344.12610	47.3
345.13196	8.6
356.12662	14.1
357.13321	4.1
358.14078	6.3
359.15012	100.0
360.15424	8.5
371.14990	59.8
372.15244	5.3
391.13989	4.0
500.43671	1.1
507.20068	3.3
537.21277	19.0
538.21356	2.1
585.23578	5.2
628.30872	1.2
703.27612	3.8
733.28632	8.4
734.27454	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.4
61.98703	1.3
69.06472	0.9
71.01253	2.6
71.58327	1.4
73.76017	0.8
74.78662	0.7
85.02808	1.1
87.00764	0.8
88.98711	1.8
89.02319	1.3
90.71019	0.9
90.71602	0.9
93.03330	4.8
96.95888	4.8
107.01276	1.1
108.02113	0.8
116.92728	1.2
121.02859	7.7
122.03632	17.5
123.00785	2.4
123.04480	1.3
125.02335	5.3
132.02104	1.1
133.02873	2.7
134.03673	1.6
135.04445	2.1
136.01576	1.7
137.02307	1.6
145.02937	1.1
149.02351	24.4
149.06041	1.2
150.03137	98.7
151.00317	2.1
151.03670	3.5
160.01575	2.9
161.02342	1.7
163.03925	1.5
164.04700	4.5
165.05495	100.0
166.05835	4.2
166.99782	1.6
169.01395	8.1
175.02545	1.2
175.03932	2.8
178.99817	1.0
179.07086	2.4
180.04257	7.3
181.04752	0.8
181.08585	1.0
193.01326	1.4
195.06566	72.8
196.06969	3.9
222.09000	1.4
227.03610	0.9
242.09508	2.0
245.00865	0.9
257.11752	2.7
258.09067	1.1
267.06607	1.2
268.07465	1.1
269.08154	1.3
270.06204	1.3
270.08981	6.7
270.98843	1.7
271.09613	1.3
273.00400	1.3
283.06232	1.1
283.09506	1.2
284.07028	2.1
285.07700	2.9
285.11328	6.3
286.08484	2.0
296.07132	1.0
297.07532	1.5
298.08475	4.8
298.98410	1.5
299.01819	1.2
299.09238	6.3
299.99313	2.0
300.02780	1.8
300.99936	8.9
301.03491	4.1
301.10733	2.2
302.00262	1.6
310.08539	1.8
311.09381	3.1
312.09836	1.4
313.07156	2.7
313.10846	7.1
314.07944	6.6
323.09232	1.1
325.10797	3.0
326.07941	2.8
326.11545	1.5
328.09702	6.1
329.10318	20.1
329.14203	1.5
330.10825	3.1
341.10275	18.6
342.10825	3.7
343.11884	25.7
344.12601	30.6
345.13242	6.2
356.12646	7.9
357.13388	2.3
358.14188	6.6
359.15002	67.8
360.15414	6.3
371.14984	45.9
372.15256	3.4
373.12909	1.3
389.16013	1.0
391.14044	2.0
507.20398	1.0
585.23413	3.5
703.27759	4.4
733.28455	9.6
734.28436	1.4
781.29126	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	19.5
59.99682	0.7
61.98694	2.4
69.03317	1.6
71.01234	3.3
71.05853	1.0
78.95782	15.9
80.96386	4.0
83.04909	1.2
85.02820	0.7
89.02306	2.4
94.97983	0.7
96.96829	3.4
97.02828	1.6
101.02319	2.7
109.06474	6.2
113.02349	1.5
135.08002	0.6
152.99535	3.1
161.04478	1.4
161.09482	0.7
163.11224	3.3
164.63795	0.7
167.10710	3.2
177.12770	0.9
179.05577	0.8
179.10608	0.9
179.14346	2.9
181.12245	1.4
188.01552	0.7
195.13860	11.0
205.12276	11.1
207.10211	6.9
223.00043	1.3
223.13350	100.0
224.13727	4.8
225.00725	0.8
225.11293	3.3
235.08127	1.8
241.01176	7.7
253.09264	8.9
255.23285	8.5
259.02228	0.7
277.21729	59.9
278.22070	5.3
391.22461	1.3
441.21155	1.7
459.22327	10.9
460.22708	0.8
523.16125	0.7
645.29883	0.7
719.43695	0.9
779.40161	20.6
780.40863	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	779.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.8
60.99176	16.8
61.98702	3.0
64.51713	0.8
71.01254	2.1
71.56577	1.3
72.99190	2.4
74.72902	0.9
75.00733	1.3
76.17335	0.8
85.02825	0.9
87.00754	2.4
88.00288	2.3
88.20335	0.8
88.98679	100.0
89.02314	7.7
96.06152	0.7
96.95905	2.8
103.11284	0.8
107.83912	0.7
108.02286	0.7
114.71790	0.8
116.41438	0.8
125.02345	2.6
141.01558	0.8
169.01355	2.0
171.10152	1.3
172.23415	0.8
184.39397	0.9
195.06569	0.7
209.11761	2.5
219.58617	1.1
275.01651	0.9
300.99976	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	779.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.5
60.38592	0.2
60.99179	17.9
68.88403	0.2
71.01263	1.0
75.00717	0.2
76.70438	0.3
87.00739	0.9
88.98679	100.0
89.99004	0.6
96.95916	0.3
105.01813	0.3
123.00771	0.3
125.02303	0.4
138.19193	0.3
169.01357	0.8
171.10135	0.4
209.11772	1.2
300.99884	0.5
320.97427	0.3
447.47195	0.3
543.72168	0.3
723.14050	0.3
779.36084	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.4
59.15706	0.4
59.80837	0.4
60.65102	0.4
60.99179	18.1
61.98706	3.7
68.61420	0.4
71.01246	1.4
71.41801	0.4
71.56806	0.8
72.99171	1.0
78.95751	0.5
85.02832	0.7
85.52879	0.4
87.00773	1.9
87.99786	0.4
88.00287	1.9
88.98679	100.0
89.02313	5.5
89.98998	0.5
96.95901	1.9
98.08427	0.5
101.02322	1.0
103.00245	0.7
113.89825	0.5
117.14570	0.5
125.02349	1.0
137.36734	0.4
163.51733	0.5
169.01353	1.8
171.10179	1.9
209.11774	5.0
211.06520	0.5
211.13365	2.0
227.12840	1.4
299.99060	0.6
300.99857	0.9
397.13297	0.9
717.19543	0.6
723.34381	0.6
808.98975	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	7.4
61.47525	1.4
61.98714	2.6
68.09362	1.5
71.01263	4.9
71.04896	1.5
71.58147	1.7
71.93958	1.4
72.99198	2.0
74.51308	1.3
78.95791	1.7
83.01253	2.3
85.02844	3.1
87.00745	1.5
88.98705	6.6
89.02348	1.9
93.03359	4.4
95.01276	1.9
96.95914	5.1
101.02334	4.2
102.33815	1.4
108.02060	2.2
109.02853	3.2
113.02348	2.4
116.92721	3.1
121.02859	10.5
122.03630	19.7
123.00800	5.9
123.04401	2.4
124.01556	2.0
125.02368	10.4
133.02814	3.4
134.03625	3.0
135.04405	3.7
136.01567	37.4
137.02390	7.6
145.02788	1.5
147.04410	2.9
149.02351	34.7
149.05997	1.5
149.82426	1.3
150.03134	100.0
151.00284	9.0
151.03925	41.4
152.01093	2.2
153.01837	1.3
161.04440	2.2
161.05833	1.4
162.03223	1.5
163.03923	2.7
164.04694	10.5
165.01857	3.4
165.05492	97.3
166.02635	29.0
166.05885	4.7
167.03328	2.4
169.01320	10.3
171.10214	6.9
175.03893	7.9
177.01866	2.4
177.05478	2.0
179.03442	3.8
179.07060	2.5
180.04170	8.4
181.04976	25.9
189.05547	3.0
190.06273	3.0
191.03412	2.1
192.04277	1.6
195.06577	70.7
196.06938	3.3
209.11792	12.3
210.12175	2.0
214.99821	1.5
221.08133	3.9
227.12862	2.6
269.08313	1.6
298.98199	2.1
299.09277	4.3
299.99023	2.3
300.99985	6.5
301.03253	1.8
309.07632	1.9
313.10849	7.8
342.11063	3.9
343.11868	50.7
344.12238	4.4
357.09741	11.7
357.13531	19.0
358.10010	2.2
358.14008	2.7
372.11996	9.0
373.12848	16.2
387.14517	74.7
388.14877	9.2
391.13821	5.9
397.13632	3.0
415.14316	2.7
505.18542	1.8
535.19672	14.9
536.19946	2.7
583.21796	2.8
634.95477	1.7
676.04285	1.6
731.26227	1.9
779.29523	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	777.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01279	5.0
59.75528	3.6
61.98714	3.9
65.97519	3.0
70.00126	18.5
78.95773	5.2
89.02331	4.1
104.93736	3.4
152.55872	3.5
162.68159	3.2
190.03185	3.5
201.11226	38.0
202.11658	3.9
209.11775	64.0
211.13478	5.7
227.12831	31.0
235.08182	12.3
253.09225	18.5
262.99371	3.3
277.21735	100.0
278.22150	9.4
300.99670	3.7
437.20160	7.5
445.20926	4.2
463.22079	5.0
513.30371	8.9
653.54736	3.9
723.43384	8.4
777.41956	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	777.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93936	2.5
70.13908	5.0
70.14298	5.1
71.01259	9.3
74.24527	2.6
78.95791	2.9
78.98477	9.2
79.95592	16.3
80.96394	100.0
83.04101	2.5
85.02793	2.7
85.79053	2.3
87.00790	3.3
91.24273	2.2
94.97960	19.6
97.02822	3.4
106.97973	4.4
122.97484	5.6
125.02323	2.7
134.97488	8.3
148.99037	5.5
152.98560	6.0
164.98532	14.5
206.99625	3.3
211.13396	3.4
225.00722	16.1
227.66624	2.7
289.88474	2.3
378.62564	2.7
730.24414	2.8
755.94073	2.6
761.13910	3.3
777.44678	16.9
778.44794	4.9
780.52777	2.7
805.59943	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	779.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00461	1.9
59.01259	14.4
63.02284	2.6
65.00206	7.4
69.03313	2.4
69.29176	21.3
71.01260	16.0
72.99191	4.2
74.65727	1.8
80.23292	1.9
83.01276	6.4
84.68494	2.6
85.02825	3.0
87.00742	2.5
89.02329	10.2
93.03352	6.4
95.01289	3.6
96.95905	5.7
97.02842	2.5
98.20509	3.8
101.02353	7.3
107.01261	20.0
108.02099	2.0
109.02853	4.3
111.00796	3.4
111.80585	1.8
113.02328	6.5
119.03410	2.8
119.04889	2.0
121.02850	9.9
123.00819	12.1
123.04437	6.2
125.02346	62.8
126.02662	2.9
127.20863	1.8
133.02834	3.0
135.00746	2.9
135.04411	9.7
137.02361	7.0
139.00296	4.2
140.01083	3.8
145.02827	3.4
149.02313	4.1
150.03178	2.8
151.00276	47.7
153.01904	2.9
155.07191	2.3
159.04474	2.2
161.02385	9.2
163.00374	2.3
163.03937	2.5
164.92819	1.9
165.01871	8.9
166.02321	2.5
166.99826	5.1
168.00565	5.4
169.01349	96.0
177.01958	4.4
178.99809	16.1
179.03357	4.8
180.00119	2.3
180.04173	5.5
182.77415	1.8
183.04451	3.3
183.88274	2.0
187.03926	2.8
189.05637	2.3
191.03516	3.0
193.01373	4.3
195.06609	6.3
195.12804	1.8
197.04413	3.2
199.03981	2.1
202.99823	4.3
209.00816	2.7
211.02432	5.6
215.03336	3.3
225.07603	3.3
226.07944	3.2
227.03459	15.8
229.04982	6.7
231.02957	2.1
235.02475	5.4
243.02942	5.6
247.02547	2.5
255.02994	39.1
256.03482	5.9
257.04520	4.6
271.02463	42.9
271.05084	4.3
272.02979	2.5
275.01926	3.4
283.02490	8.2
284.03281	29.4
285.04034	56.1
286.04376	5.5
298.98639	2.5
299.01981	7.7
299.99210	7.2
300.02710	65.7
300.99905	21.8
301.03540	100.0
302.03842	6.9
313.05722	30.2
314.06177	2.9
315.01575	2.7
323.07632	2.9
365.96307	2.1
370.40927	2.4
385.05731	6.9
447.07135	13.7
448.07471	2.5
463.09052	13.0
465.07364	6.1
475.08759	9.1
493.09964	10.2
495.09607	3.4
529.57159	2.4
598.09485	3.5
599.10437	49.3
600.10736	6.9
615.09827	23.7
616.10291	3.3
617.07806	8.4
706.80804	2.0
753.19165	2.6
761.13586	62.6
762.13745	12.6
779.14063	9.2
780.13971	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	777.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	3.6
59.01253	51.7
60.99176	7.8
61.98702	28.6
71.01259	15.4
73.02830	5.1
75.00731	7.2
83.01257	7.0
83.04895	3.4
87.00742	18.5
88.98680	53.1
89.02315	9.4
95.01241	4.5
96.95892	20.0
97.02837	7.0
99.04418	4.2
101.02348	10.8
107.04914	3.2
109.06479	28.3
113.02341	10.2
114.33995	3.4
116.92744	12.2
120.99515	4.7
123.00763	6.9
125.02310	18.2
163.11188	15.7
169.01357	20.5
171.10204	5.4
181.12268	6.2
185.11790	8.6
204.85190	4.0
205.25034	3.8
207.10197	89.1
209.11804	44.5
211.13330	15.0
221.11838	4.3
225.11240	24.4
235.08171	6.0
239.12892	11.5
247.29573	3.5
253.09256	19.6
273.17065	100.0
274.17563	5.1
275.01892	5.1
300.99844	12.5
329.13907	6.7
397.13174	5.0
443.19482	5.6
461.20163	6.5
509.26703	4.3
717.37219	35.8
718.37634	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.2
71.01250	0.2
71.35903	0.1
71.57831	0.2
71.81181	0.1
78.95779	2.4
79.95612	3.2
83.02386	0.2
95.01232	0.1
96.95893	100.0
96.96772	3.5
97.95839	0.3
98.02348	0.7
101.02361	0.1
119.30696	0.1
123.00742	0.1
125.02369	0.5
146.26595	0.1
161.02307	0.1
165.01901	0.2
166.99774	0.1
169.01358	0.8
169.31618	0.1
170.01723	0.1
180.33315	0.1
181.04962	0.1
277.86691	0.1
300.99911	0.4
480.24228	0.1
716.50873	0.5
775.16382	0.2
775.31647	0.1
775.47443	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.4
63.02271	2.7
65.00207	6.0
67.01751	0.7
67.37060	0.7
69.03316	1.2
70.91183	1.6
70.91536	1.0
71.01257	4.7
72.99185	0.8
79.01757	1.0
83.01276	4.6
85.02814	1.5
87.00767	1.0
89.02220	0.7
93.03309	2.3
95.01234	1.9
96.95888	2.6
97.02820	1.9
101.02311	2.1
107.01265	11.4
107.04922	0.8
108.02116	1.0
109.02847	4.8
111.00717	1.8
113.02312	1.7
121.02834	8.7
122.03578	0.8
123.00803	5.3
124.01537	0.8
125.02335	29.4
125.03249	1.7
129.12646	0.8
133.02866	15.2
134.03651	1.8
135.04411	43.5
136.01559	1.0
136.04750	1.1
137.02408	1.7
139.00256	0.9
139.03891	1.3
140.01013	1.0
145.02841	1.0
146.03625	0.8
147.04399	1.0
149.02325	2.1
150.03122	4.8
151.00272	36.5
151.03764	0.9
152.00659	1.5
159.04398	1.6
161.02354	51.8
161.42946	0.7
162.02730	2.5
163.00256	2.1
164.01093	0.9
165.01843	2.8
165.05440	4.3
166.02580	1.1
166.05852	0.8
167.03386	1.1
168.00517	2.5
169.01340	59.6
170.01683	3.1
171.04416	1.3
173.06055	0.8
175.03909	2.3
177.01892	0.9
177.05559	5.0
177.06836	0.8
178.99831	13.2
179.03419	53.3
180.03857	3.5
181.04880	1.1
185.05960	1.0
187.03926	1.2
191.03326	1.0
193.01378	3.0
195.06586	4.6
196.06873	1.0
203.03436	4.3
211.02454	2.1
211.04149	1.0
221.04497	5.2
223.02534	0.8
225.07666	0.9
227.03436	1.3
229.05074	1.4
233.04517	3.8
243.02957	1.7
245.04573	2.7
251.05569	4.7
255.02948	5.0
256.03485	1.4
271.02417	8.8
271.04712	0.9
273.04187	1.1
283.02194	1.1
284.03214	0.8
285.04028	1.4
295.04510	1.2
299.01892	1.4
299.99380	1.4
300.02713	13.9
301.03494	72.1
302.03830	4.9
305.06598	4.8
313.05606	9.7
314.05896	1.2
323.07715	27.4
324.08008	2.3
403.07239	1.0
431.07578	1.1
463.08914	2.9
467.99985	0.9
475.08817	100.0
476.09180	11.5
599.10199	1.2
615.09985	4.3
625.11841	4.1
745.14185	3.4
777.12958	9.7
778.13519	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68377	6.4
59.01239	6.3
70.80338	17.7
71.41908	6.2
77.55132	7.0
78.04259	8.4
78.95766	19.7
96.95890	100.0
104.77940	7.0
107.01302	7.4
125.02319	16.3
169.01268	12.5
195.13788	6.1
209.11736	27.6
211.13326	30.6
227.12794	8.3
253.09128	9.9
291.19727	13.5
293.21030	17.7
300.99875	15.9
309.20724	11.8
387.24658	7.6
411.10611	7.2
417.82846	6.2
775.40253	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	775.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87475	17.2
69.87016	100.0
211.13318	51.7
277.21698	57.6
775.43237	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	775.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	6.6
61.98699	6.1
70.90907	2.7
71.01241	5.1
71.34365	6.7
78.95766	20.5
80.01047	2.5
89.02271	3.3
101.02327	6.5
109.06448	7.1
113.02303	3.1
125.02391	3.5
125.09604	2.9
152.99498	8.6
163.11113	3.0
169.01321	4.6
171.10222	19.7
181.08641	5.1
191.61249	3.3
199.09686	32.6
201.11110	2.8
207.10204	43.2
208.10466	3.4
225.11275	45.0
235.08148	6.6
253.09129	14.9
277.21698	100.0
278.22079	6.7
279.23300	8.1
295.22717	5.1
300.99933	4.2
417.17520	5.2
435.18634	12.0
443.19080	8.9
461.20273	12.6
535.11084	3.2
695.39880	39.3
696.40015	6.8
721.41449	29.2
722.41876	9.0
775.39667	4.6
775.49139	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	775.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.8
61.78747	1.9
61.98699	4.1
70.80538	2.9
70.80866	4.2
71.01270	7.7
73.02825	2.6
76.03870	2.0
78.95782	9.4
83.04901	2.3
89.02304	4.0
93.12884	1.8
101.02345	6.3
101.97168	2.1
109.06483	5.7
113.02322	3.4
119.03425	1.9
131.82870	2.0
149.65532	2.0
152.99486	5.3
161.04395	3.5
163.11191	5.6
171.10182	10.0
173.39600	1.8
179.05510	2.3
182.61043	2.2
187.13382	1.8
199.09677	16.7
201.11232	3.4
207.10217	33.9
211.88411	1.9
225.11282	80.7
226.11664	3.7
235.08220	9.1
253.09268	15.8
277.21719	100.0
278.22058	11.4
279.23251	3.7
324.03308	2.0
417.17908	2.8
434.97256	2.2
443.19199	11.9
444.19659	2.2
461.20340	31.1
462.20953	3.8
682.84149	2.1
695.40228	23.3
696.39978	6.3
721.41547	41.4
722.42065	6.6
775.39081	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	775.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91856	0.8
56.03486	0.9
59.01250	11.9
61.98703	1.0
69.51434	4.0
69.51859	3.1
71.00894	1.4
71.01255	16.7
78.95762	3.2
80.02550	1.2
81.03339	2.3
83.01257	1.0
83.04897	3.2
85.02823	2.4
87.00727	1.1
89.02304	4.7
95.01264	1.1
97.02844	5.1
99.00734	1.6
101.02322	5.1
109.06477	32.7
110.03599	1.1
113.02328	2.6
119.03398	1.1
121.06474	2.3
125.09619	1.4
135.08043	3.7
136.05219	1.2
142.02618	2.0
152.99463	1.7
161.04465	1.8
161.09665	1.7
163.11195	18.9
171.10193	4.7
179.05574	1.1
181.12234	4.1
189.09119	1.9
199.09686	2.9
201.11237	1.9
207.10205	100.0
208.10545	5.3
209.11737	9.1
215.77061	1.1
225.11276	50.1
226.11638	2.7
235.08171	2.4
243.12343	1.6
253.09291	18.1
266.49005	0.9
277.21719	83.6
278.22104	8.6
279.23294	1.7
295.37485	0.9
299.14673	1.0
379.37555	1.0
435.18576	1.3
441.34009	1.2
443.19189	4.8
461.20328	20.5
462.20621	2.2
559.36432	1.1
649.67310	1.0
721.41498	15.0
722.41949	6.7
723.42175	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98726	13.7
69.52922	10.5
71.20781	19.1
78.95775	24.8
87.00818	10.4
87.75439	10.5
90.02375	12.5
96.95873	18.6
109.06432	20.9
133.88768	12.7
141.89255	11.6
169.01337	24.2
170.26256	11.8
197.11752	19.7
207.10222	34.4
209.11732	26.5
211.13376	100.0
235.08186	21.6
253.09430	21.1
275.02014	14.0
291.19214	17.3
293.21045	61.9
300.99857	35.6
309.20627	40.7
447.22546	13.9
724.45374	13.2
775.40625	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	775.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.8
59.43158	1.8
61.98692	2.3
71.01258	5.1
71.04956	5.3
78.95775	8.0
79.01007	2.1
79.38249	2.1
83.04907	3.7
96.95887	19.8
98.95469	10.3
101.02339	3.8
107.01317	3.4
110.16999	2.3
113.23035	2.0
125.02328	8.5
163.11208	3.3
169.01395	14.0
209.11781	100.0
209.13788	5.3
210.12138	4.8
227.12822	21.3
235.08176	4.7
253.09267	12.4
277.21643	2.4
293.21219	62.4
294.21512	4.2
300.99942	7.2
301.78973	2.2
324.24414	2.2
341.40250	2.3
445.20825	7.3
459.60599	2.3
463.21667	2.5
495.04822	2.2
775.40515	24.4
776.40576	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	775.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.1
64.30915	0.3
71.24373	0.2
71.56769	0.2
71.57155	0.4
73.02818	2.8
74.44904	0.3
75.00759	0.4
84.94980	0.3
89.02348	0.4
93.21421	0.3
96.95903	1.2
99.00742	1.7
99.92458	10.5
100.92477	0.6
109.64556	0.3
114.93316	0.7
116.92750	100.0
116.97130	3.3
117.01828	5.5
117.92766	4.3
123.00809	0.4
125.02310	0.6
125.09888	0.3
129.28633	0.3
129.35921	0.2
141.01610	0.5
148.99936	0.3
164.22119	0.3
168.14401	0.3
169.01315	0.9
171.10233	0.5
190.02672	0.2
197.11803	0.4
203.03149	0.2
209.11751	1.9
210.12090	0.6
211.13400	1.0
253.09189	0.4
275.01648	0.3
300.99957	0.4
375.85208	0.3
400.43631	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20002	1.5
59.01257	6.2
59.20129	1.3
61.98712	2.4
69.03334	1.5
69.53314	11.4
71.01250	5.6
72.99203	1.6
76.83716	1.5
82.95296	4.8
83.01253	2.1
83.02383	3.9
83.04924	2.0
85.02850	2.6
87.00742	1.5
88.98698	2.5
89.02310	1.4
93.03323	2.4
95.01260	2.3
96.95902	9.5
101.02320	3.3
107.01279	6.2
109.02805	1.8
116.92765	2.7
123.00789	6.0
125.02339	19.3
134.03651	7.2
137.02368	2.2
150.03207	1.6
151.00284	10.5
159.04431	1.9
160.01607	3.2
161.02310	2.5
161.06071	1.4
163.00264	1.8
165.01840	1.6
165.05450	1.8
166.99812	2.3
168.00439	2.1
169.01338	31.1
171.10228	2.5
175.02499	1.5
175.03947	5.4
176.57133	1.4
178.99745	3.0
181.04987	1.7
183.04463	1.7
185.06003	2.8
187.04013	2.2
193.04942	7.9
195.06560	2.1
209.11801	6.0
211.03961	1.7
213.05637	2.3
225.11304	3.7
227.03487	3.1
229.01361	1.7
229.05075	6.5
230.34792	1.5
243.02966	1.6
255.03024	5.6
257.04639	3.5
271.02481	3.6
275.01801	2.0
284.03210	2.4
285.04044	100.0
286.04431	5.8
299.99387	2.3
300.02786	4.9
300.99911	11.3
301.03528	13.6
313.05951	2.1
419.34720	1.6
452.53073	1.5
489.10471	32.0
490.10733	3.9
599.25439	2.3
684.52820	1.7
775.17407	2.8
775.38824	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	775.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	0.8
59.03437	0.3
63.02259	1.2
65.00195	0.8
68.23684	0.3
68.84871	0.3
69.03311	0.5
71.01247	1.3
79.01761	0.5
82.95302	0.6
83.01250	1.1
83.02380	0.6
83.32446	0.3
84.21217	0.3
85.02830	0.3
90.95561	0.4
91.01727	0.6
92.91581	0.3
93.03314	2.0
95.01254	0.9
96.95863	0.5
98.20559	0.7
100.23593	0.4
101.02355	0.4
107.01263	3.5
109.02840	1.0
111.00770	0.4
117.03344	0.8
121.02814	0.4
123.00761	2.6
124.01527	0.5
125.02331	9.8
132.02058	1.0
133.02815	0.7
134.03630	6.7
135.00760	1.0
135.04382	0.6
137.02319	1.1
139.00313	0.6
141.01855	0.5
143.04944	1.2
145.02852	0.8
147.04395	0.7
149.05977	1.3
151.00276	3.7
154.04144	0.4
155.05011	0.4
157.06494	0.8
159.04381	1.8
160.01538	2.6
161.02325	1.5
163.00345	1.8
164.01007	0.6
165.01906	0.5
167.04721	0.4
168.00528	0.7
169.01334	16.3
169.06555	0.5
170.01683	0.5
171.04416	0.6
173.02388	0.4
175.03902	3.6
178.02591	0.7
179.03452	0.9
183.04289	0.6
185.06000	1.5
187.03897	2.4
189.01794	0.4
189.05501	0.9
192.00580	0.5
193.01288	0.8
193.04988	7.1
195.04501	0.7
197.06021	0.4
199.03911	0.6
201.05458	0.6
209.11737	0.8
211.03928	1.5
213.05441	2.0
214.02640	0.8
215.03452	0.5
219.06851	0.4
227.03482	2.5
229.05013	8.0
239.03442	1.4
240.04207	0.7
241.04979	1.0
255.03024	1.7
256.03546	0.9
257.04520	3.9
265.07135	0.8
265.71906	0.4
284.03271	1.7
285.04025	100.0
286.04413	6.6
295.04645	1.3
300.99817	0.8
323.07434	0.4
329.99570	0.4
337.09280	1.5
345.06381	0.4
365.55127	0.4
419.12946	0.5
489.10352	32.9
490.10855	3.4
623.14099	0.8
708.02441	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60043	0.3
55.60332	0.3
56.44506	0.3
59.01243	0.9
63.02273	1.4
65.00182	1.3
67.01753	0.5
68.57325	0.3
71.01244	1.5
75.00730	0.4
79.01767	0.7
82.95282	0.3
83.01260	1.8
85.02849	0.7
87.00742	1.0
91.66629	0.4
92.33585	0.3
93.03326	2.1
95.01272	1.5
96.95886	0.7
96.99174	0.4
97.02842	0.5
107.01262	3.8
108.56200	0.3
109.02861	0.7
111.00756	0.9
113.02320	0.4
117.03367	0.9
121.02858	0.3
121.40667	0.3
123.00774	6.2
124.01491	0.6
125.02333	7.8
125.05631	0.3
127.00237	0.4
132.02046	0.6
133.02847	1.2
134.03635	6.8
135.00752	0.9
135.04454	1.6
136.98685	0.5
137.02309	1.0
139.00269	1.6
139.03905	0.3
140.01060	1.6
141.01784	0.5
143.04913	0.9
145.02826	0.5
147.00845	0.4
147.04395	0.4
149.02287	0.3
149.05975	1.4
150.03163	0.4
151.00262	5.3
151.03908	0.4
153.01837	0.6
155.04889	0.4
157.06476	0.9
159.04431	1.6
160.01593	2.5
161.02345	4.2
161.05896	0.4
163.00304	1.4
163.03819	0.3
164.01048	0.7
165.01822	1.1
165.05466	0.6
166.99791	1.0
168.00536	1.5
169.01340	11.1
169.06458	1.0
171.04442	0.6
175.03938	4.3
178.02637	0.5
178.99994	0.4
179.03464	2.4
183.02911	0.7
183.04420	0.4
184.05243	0.4
185.05988	2.2
187.03911	1.7
189.05521	0.6
191.03452	0.3
192.00516	0.4
193.05000	4.4
195.04428	0.3
197.06058	0.6
199.03967	0.6
201.05502	1.0
207.02902	0.5
209.11819	0.3
211.02295	0.7
211.03911	0.9
213.05531	1.6
214.02690	0.3
215.03458	0.7
217.04959	0.4
223.02509	0.5
224.89677	0.3
227.03375	1.3
229.01450	0.3
229.05006	6.6
230.05309	0.5
239.03500	1.0
240.04160	0.6
241.04996	0.9
243.02792	0.4
255.02956	1.9
256.03592	0.6
257.04535	4.4
263.05673	0.6
267.02927	0.4
284.03253	1.3
285.04037	100.0
286.04346	6.7
289.07129	0.4
295.04547	0.4
300.99786	1.3
313.05621	1.1
323.07748	1.4
337.09363	0.8
451.12418	0.7
474.08121	1.5
489.10376	50.0
490.10690	5.7
623.14459	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
68.34501	4.0
70.89413	13.5
78.95786	31.6
111.08073	9.4
152.99522	43.1
153.94728	3.8
157.07532	3.9
163.74136	3.9
169.12222	4.6
197.11768	27.1
253.21808	28.0
279.22955	5.8
309.20731	13.8
418.55011	4.2
445.20181	5.9
519.23438	5.7
537.24670	100.0
537.32904	7.1
538.25275	9.6
555.71185	4.7
598.49524	4.3
773.45776	51.8
774.46539	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	773.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.7
57.03324	0.8
58.00495	0.3
59.01250	5.0
61.98707	0.5
65.50723	0.2
69.03310	0.6
70.87233	0.6
71.01252	4.8
71.04844	0.2
72.99184	0.3
73.02817	0.6
78.95795	0.3
79.95616	0.3
80.02546	1.0
81.03330	1.7
82.95286	0.3
83.01272	1.0
83.04900	4.9
84.02051	0.9
85.02825	2.9
87.00762	1.0
89.02314	3.0
93.03336	0.2
95.01263	0.5
95.04910	1.0
96.95896	3.4
97.02840	0.7
97.06457	2.8
99.00754	0.5
101.02325	4.1
101.02988	0.3
109.06496	0.5
111.07999	0.4
113.02322	2.4
116.92773	1.8
119.03410	1.0
123.00761	0.3
125.02342	0.6
125.05972	0.5
125.09638	0.9
127.11202	1.2
133.04988	0.5
135.08096	0.5
136.71616	0.2
137.09560	0.4
143.03389	0.6
145.04973	0.4
145.61299	0.2
155.10690	1.0
155.14355	0.6
161.04471	2.4
161.69844	0.2
163.09975	0.4
163.11205	4.0
165.12813	3.0
167.14330	0.4
169.01312	0.5
171.10197	5.2
172.10495	0.4
177.12802	0.7
179.05542	0.7
181.12244	0.8
183.13821	2.0
185.10242	0.2
185.11739	1.3
190.33745	0.2
191.10686	0.8
193.12263	0.7
197.11836	0.5
199.13165	0.3
203.10832	0.3
209.11783	100.0
210.12112	4.7
211.13350	13.3
212.13678	0.8
221.11815	1.9
227.12849	12.8
228.13179	0.6
229.14421	9.3
230.14757	0.5
235.08203	6.6
236.08600	0.3
239.12793	1.6
247.20647	0.4
253.09264	19.2
254.09537	0.4
254.83049	0.3
291.19659	4.3
309.17236	0.5
309.20715	7.3
310.21155	0.5
327.21762	59.0
328.22098	3.8
338.28217	0.2
369.29062	0.3
445.20813	1.1
463.21991	0.3
463.52283	0.3
519.33405	1.0
537.34192	0.5
545.29767	0.7
563.30597	2.0
615.09485	0.3
741.26947	0.3
763.40149	0.3
773.44305	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	3.1
59.01246	18.0
61.98710	7.9
65.18255	2.9
71.01252	26.6
71.56761	5.6
72.01291	3.1
73.02797	5.4
78.95789	8.2
79.95636	3.3
81.03333	4.0
82.54379	2.8
83.04887	9.0
85.02827	6.5
87.00758	8.0
88.98692	3.2
89.02309	4.2
95.01243	3.9
95.04888	4.9
96.95909	24.2
97.02859	10.0
97.06461	5.2
98.95497	6.7
101.02326	10.5
109.06441	8.1
113.02377	3.4
125.02361	8.2
125.09606	11.8
127.11214	5.6
128.80258	3.4
139.11240	4.6
139.88512	3.3
143.03433	3.5
163.11174	13.6
169.01324	12.4
169.12265	5.5
171.10190	100.0
172.10400	4.0
181.12285	4.0
185.11765	6.8
193.12360	4.3
197.11798	6.6
201.11244	38.4
207.10191	32.8
209.11780	58.3
210.12186	4.7
211.09888	4.1
211.13420	20.2
212.13705	8.0
213.11256	5.0
215.12788	4.9
225.11284	60.2
226.11485	4.0
227.12785	7.9
235.08154	13.2
243.12241	4.5
253.09283	28.4
291.19861	7.5
293.21201	13.8
300.99927	5.8
309.20526	6.1
311.22247	90.9
312.22870	4.6
343.24731	4.4
461.20190	10.6
526.35492	4.4
653.39209	3.6
755.42297	4.0
773.43372	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	773.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	7.4
69.56234	31.9
71.01254	6.8
78.95766	7.4
82.45697	3.4
83.04881	4.7
96.95895	45.7
98.20493	6.7
107.01244	6.9
125.02334	11.0
151.11014	4.1
152.99458	5.5
169.01266	26.8
169.12289	5.0
171.10213	6.4
209.11760	100.0
210.12103	7.5
211.13315	6.1
227.12831	17.7
233.49963	3.8
253.09218	10.5
289.59537	4.1
291.19647	52.9
293.21106	5.5
300.99854	10.8
411.37509	3.9
445.20834	4.6
628.17059	3.8
773.40039	13.0
790.08551	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	773.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81635	2.8
57.03349	2.5
59.01252	16.2
61.98698	9.4
62.16306	2.3
64.20271	2.3
71.01247	10.7
73.02826	3.7
74.26106	2.5
75.85315	2.4
78.95778	6.3
79.95589	2.5
82.95283	3.3
83.04929	3.8
84.46352	2.5
85.02826	4.0
88.98672	6.6
89.02342	4.2
96.95895	85.0
96.96883	6.8
98.95494	12.4
101.02321	6.7
113.02361	3.8
116.92721	16.8
123.00774	2.7
125.02328	9.7
126.15812	2.7
155.06978	2.7
161.04518	3.1
161.30074	2.5
163.11227	2.5
165.05508	3.3
169.01312	9.4
171.10161	4.8
191.24942	2.5
209.11775	100.0
210.12131	6.4
211.13304	3.4
225.11211	3.1
227.12907	28.2
229.83656	3.3
235.08170	6.3
253.09303	11.8
301.00082	4.5
327.21695	23.2
445.20804	7.6
773.36566	11.2
796.73578	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	773.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31535	0.1
59.01259	0.2
59.25578	0.2
61.98701	0.2
71.01256	0.9
78.95779	5.1
79.95612	3.2
90.97009	0.2
96.95891	100.0
96.96786	6.3
97.95822	0.3
101.02328	0.2
103.82153	0.2
118.96510	0.3
125.02274	0.2
129.28017	0.2
143.75945	0.1
144.98198	0.2
146.66040	0.2
146.96004	0.1
169.01323	0.4
169.12224	0.1
171.10141	0.3
209.11801	0.5
267.69431	0.1
277.21701	0.4
291.04068	0.2
291.19614	0.2
293.21301	0.2
300.99725	0.2
338.46033	0.1
361.04416	0.2
394.79684	0.2
397.13309	0.3
407.17441	0.3
415.14771	0.2
435.08093	0.7
453.09369	1.2
519.22632	0.2
593.26672	0.2
703.94580	0.2
713.30566	1.0
714.31470	0.3
773.43475	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35559	0.1
59.01255	0.4
61.98685	0.2
71.01250	1.3
78.95776	6.0
79.95602	3.1
86.19979	0.1
87.00736	0.1
89.02316	0.2
94.95876	0.1
94.97987	0.2
95.97440	0.1
96.95889	100.0
96.96784	7.1
97.95827	0.3
98.02362	0.2
101.02344	0.1
109.06471	0.2
109.81005	0.1
118.96528	0.3
119.03439	0.1
125.02352	0.2
163.11145	0.3
169.12254	0.2
171.10175	1.8
197.11774	0.2
201.11224	0.6
207.10187	0.6
209.11723	0.8
211.13254	0.7
212.13638	0.2
225.11220	0.9
227.12744	0.3
235.08171	0.2
243.12341	0.2
248.54306	0.1
253.09219	0.7
254.09706	0.1
271.04794	0.1
277.02460	0.2
277.21716	0.3
291.19547	0.3
293.21338	0.7
309.20789	0.1
311.22266	1.6
341.23236	0.2
342.23566	0.2
361.04187	0.2
397.13480	0.3
407.17413	0.4
435.07935	0.8
453.09412	0.9
583.35840	0.2
593.26862	0.2
657.32483	0.2
713.30359	1.1
714.31732	0.2
773.43213	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14275	1.0
58.41055	1.0
59.01253	16.5
66.51818	1.1
66.95670	1.0
71.01254	15.6
72.99198	2.4
73.02808	5.1
79.64345	1.0
79.95622	1.2
80.04932	1.1
80.96392	1.4
83.01250	2.7
85.02840	8.1
87.00751	2.5
88.98674	1.4
89.02339	6.1
94.06494	1.0
95.01270	3.4
96.23402	1.1
96.95895	28.7
96.96835	1.3
98.95459	2.6
99.00738	1.9
101.02313	6.0
106.06483	3.3
107.01285	2.7
107.03690	1.3
111.00790	1.4
113.02335	7.6
116.92747	1.4
119.03387	2.1
120.08089	8.0
121.05280	1.2
122.06012	31.2
123.00779	3.2
124.01522	1.3
125.02345	18.2
126.02628	1.4
132.04457	10.4
134.06010	28.8
134.07010	1.7
139.00259	2.5
140.01035	2.1
143.03345	1.5
146.05997	4.8
146.09644	1.3
148.07581	1.1
151.00276	2.5
152.07056	5.3
155.07018	1.3
158.06075	1.2
165.05502	1.1
166.99754	1.2
168.00591	1.9
168.99956	1.9
169.01346	29.7
170.01645	1.2
172.07570	1.8
193.01390	5.1
195.06543	1.6
201.05646	1.2
210.07880	1.1
211.02469	2.5
211.08797	1.2
215.11861	3.3
223.08688	2.7
224.09325	1.8
225.10327	5.6
227.11797	5.4
229.76007	1.3
235.02359	2.1
235.08633	1.4
235.12421	1.4
236.09633	1.1
237.10291	8.7
238.11047	6.0
239.11887	8.4
245.00844	1.4
249.10316	3.0
251.08226	1.4
251.11897	5.6
253.13451	15.5
255.14891	1.2
263.08240	1.2
263.11890	3.3
264.08954	3.8
265.13611	4.9
267.11057	1.3
269.12918	4.3
275.02084	1.6
277.09662	2.1
278.10611	1.9
279.11371	30.7
280.11841	2.5
281.12921	1.2
287.13870	1.7
289.07034	1.9
291.11429	3.2
295.04556	2.6
297.12524	1.2
298.98224	1.6
299.99075	3.1
300.02515	1.6
301.00027	7.8
301.03210	1.8
302.00317	1.5
307.08212	7.6
308.08771	1.3
313.05728	2.6
329.15155	2.1
360.17175	3.2
372.17059	2.7
384.17010	3.7
385.18204	1.4
400.20270	3.9
409.11398	1.3
426.18338	4.8
459.17792	1.2
464.21835	1.8
494.44119	1.1
526.18225	1.0
561.12726	2.5
562.25494	1.9
567.26129	4.0
594.24194	2.0
606.24609	100.0
607.24933	17.9
609.27423	2.7
621.15027	2.5
657.29486	2.1
687.30170	1.6
729.31396	61.0
730.31604	8.8
773.30963	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.6
69.03332	1.9
71.01254	3.0
72.99186	1.2
79.01807	0.8
81.03313	0.9
83.01251	1.0
83.42620	0.6
84.73336	0.6
85.02844	1.4
87.00761	1.0
88.98687	0.8
95.01282	3.9
96.95894	2.6
97.02831	2.1
101.02344	1.9
107.01273	9.9
111.00751	2.0
113.02345	1.6
123.00770	12.7
123.04408	0.8
124.01562	2.1
125.02340	78.5
126.02689	2.9
136.98729	1.5
137.02322	1.1
139.00313	3.9
140.01074	3.0
141.01791	1.3
150.03070	0.9
151.00290	4.1
153.01918	0.8
155.07071	1.2
161.02373	2.0
163.03928	1.0
166.99817	3.6
167.03433	1.5
168.00584	6.7
169.01344	100.0
170.01663	3.1
175.02415	0.7
175.03809	1.0
177.01840	0.8
179.03435	2.6
191.03479	1.7
193.01376	2.8
207.03001	1.1
211.02435	7.7
233.04604	0.9
235.02498	1.1
241.03351	1.0
242.13832	0.8
253.03476	1.0
255.02921	0.8
271.04642	2.7
277.03387	0.8
285.03867	1.1
295.04663	3.1
300.99869	3.5
307.08322	2.1
313.05710	3.3
389.12289	0.8
400.89337	0.8
409.11530	1.2
433.11334	1.9
447.05502	0.8
451.12491	6.4
465.06693	2.0
469.13379	1.4
559.14618	1.4
603.13660	13.4
604.13916	2.2
617.07770	7.6
618.07770	1.3
621.14526	10.4
655.34210	0.7
694.13159	0.7
773.15729	47.8
774.15955	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	773.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.1
59.97676	0.7
59.98018	0.6
67.01738	1.3
68.99657	0.7
69.03329	2.4
70.91301	1.6
70.91639	0.8
71.01260	3.1
72.99184	0.9
79.01752	1.6
81.03347	1.5
83.01266	1.2
85.02824	2.4
87.00759	1.7
89.02335	1.0
95.01264	4.4
96.95925	1.3
97.02833	2.4
99.00765	1.0
101.02322	1.6
105.34296	0.8
107.01264	9.6
111.00758	2.8
113.02317	2.7
113.94930	0.7
123.00763	15.5
124.01581	2.4
125.02336	85.1
126.02695	3.0
127.00285	1.3
133.02902	0.8
136.98703	1.2
137.02347	2.1
139.00246	3.2
140.01068	3.4
141.01830	2.3
145.02820	0.8
151.00255	4.6
151.03784	0.8
153.01787	1.1
155.07120	0.7
161.02368	1.0
161.04500	0.8
163.00439	0.8
166.99805	4.0
168.00555	8.3
169.01338	100.0
170.01706	3.8
173.02347	1.4
176.28204	0.7
177.01859	0.9
179.03358	1.4
181.01205	0.9
185.02466	0.8
186.85983	0.6
187.03899	0.8
191.03339	1.1
193.01315	1.8
195.02925	0.7
200.84363	0.7
201.01826	0.7
205.01390	0.9
211.02374	9.1
218.41025	0.7
221.04417	1.8
223.02415	0.7
229.01414	1.3
233.04379	0.8
235.02492	1.3
241.03426	1.6
245.00827	1.2
247.02351	1.0
249.04239	0.8
271.04651	2.0
273.00192	1.0
275.01834	0.8
279.05154	1.2
285.04074	0.9
295.04547	5.1
300.99899	12.0
301.03177	1.0
302.00226	7.2
303.00308	4.3
313.05624	10.7
314.06003	1.4
323.98486	0.7
346.51797	0.7
447.05688	1.8
449.07184	1.0
455.77136	0.7
462.97803	0.8
465.00616	1.1
465.06720	6.7
466.07190	1.2
467.59644	0.7
488.78021	0.8
524.90338	0.7
578.63562	0.8
578.72986	0.8
603.13324	5.3
617.07953	2.5
621.14471	5.5
773.15637	78.1
774.15906	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	773.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78222	0.9
53.91304	0.9
59.01255	1.1
65.37206	0.8
67.01748	1.8
69.03319	2.4
69.34108	9.4
71.01252	2.7
72.99155	1.3
85.02818	1.6
87.00689	1.0
89.02289	1.2
95.01285	5.0
96.95912	4.9
97.02808	2.7
98.19785	1.9
100.92268	0.9
107.00736	0.8
107.01290	8.6
111.00743	2.5
113.02328	1.4
119.06084	0.9
121.02809	0.9
123.00781	12.3
124.01556	3.2
125.02340	92.8
126.02650	2.9
131.04877	1.3
131.53384	0.9
136.98680	1.6
137.02403	0.9
139.00264	3.1
140.01021	4.2
141.01805	1.2
143.03392	1.2
153.01776	1.2
161.02333	1.2
166.02667	1.0
166.99788	4.4
168.00583	8.4
169.01346	100.0
170.01671	2.7
171.30643	0.8
173.02251	0.9
177.01851	1.2
179.03467	1.0
181.01369	1.8
181.04974	0.8
190.99649	1.1
191.03337	2.4
203.12679	1.3
205.01259	1.0
205.05034	1.0
205.92879	0.8
211.02452	5.5
215.03409	0.8
223.02399	1.0
259.03046	0.9
271.04514	1.4
277.03568	1.9
285.03818	1.0
295.04578	10.5
300.84497	1.1
300.99902	3.1
301.03201	0.9
313.05618	3.8
423.05798	1.6
423.24551	1.0
447.05698	2.6
465.06570	4.0
504.83383	1.0
602.42786	0.9
603.13416	7.2
604.14063	1.3
617.07996	5.1
621.14581	15.7
622.14801	2.1
773.15588	35.0
774.15845	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	771.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47842	3.4
56.03326	3.6
58.78487	3.6
59.01248	10.6
61.98703	4.2
68.97598	4.2
71.01254	45.4
73.02785	5.4
78.95781	9.6
81.42728	3.5
87.00778	5.9
89.02345	5.0
96.53669	3.6
97.02840	6.6
99.00771	8.4
101.02303	7.2
109.06464	11.9
113.02326	4.6
125.09666	5.1
138.67410	3.8
143.03438	3.9
153.28326	3.7
163.11185	8.5
163.43243	3.4
171.10146	10.3
181.12331	8.6
197.11823	7.1
199.13297	9.9
207.10217	45.7
209.11794	13.6
225.11275	30.6
235.08084	5.2
243.12520	6.3
253.09268	15.5
255.23271	7.6
274.17429	7.8
277.21729	100.0
278.22055	17.6
279.23141	10.7
293.21320	4.2
336.69336	4.1
461.20169	7.8
721.41852	8.1
739.42126	21.4
771.45374	27.4
772.45404	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	771.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	24.7
61.98699	4.6
68.70975	4.2
69.44013	34.8
71.01253	75.0
78.95777	6.8
85.02818	6.5
87.00764	5.3
89.02319	7.0
97.02843	8.3
99.00761	15.5
101.02290	7.1
109.06477	18.5
116.03290	4.1
122.02911	4.0
125.09615	10.1
135.08109	5.8
142.02623	4.0
160.37334	4.0
163.11185	26.6
171.10175	18.9
174.01082	4.4
181.12276	26.9
195.10429	3.9
197.11798	6.9
199.13391	25.6
200.88895	4.1
201.11244	5.1
207.10211	86.0
209.11697	7.6
225.11282	83.7
235.08305	6.4
243.12308	16.4
253.09270	13.7
253.21451	4.4
277.21735	100.0
278.22015	11.4
461.20291	18.1
585.85437	4.3
721.41467	13.2
739.42938	32.6
740.42780	4.5
771.45465	62.9
772.45447	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	771.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32243	2.3
56.39605	1.9
59.01249	16.1
69.86147	4.6
69.86555	8.4
71.01250	39.0
78.95779	7.6
87.00754	3.9
89.02331	3.2
89.61212	2.0
99.00771	4.9
101.02306	4.3
107.81144	1.9
109.06472	7.2
113.02376	5.2
125.09686	2.4
141.30084	2.1
163.11215	7.5
171.10138	7.9
181.12263	7.4
197.40395	1.9
199.13338	3.9
201.11244	2.5
207.10207	34.6
209.11760	3.5
211.13281	13.1
212.13843	3.2
225.11292	20.3
229.94398	2.2
235.08130	5.0
243.12122	3.5
249.18576	3.6
253.09293	10.3
273.17099	10.5
274.17487	8.2
275.17493	2.9
277.21729	100.0
278.22092	24.1
279.22586	3.7
306.14185	2.4
368.60623	2.3
394.21036	2.3
461.20297	4.5
464.61810	2.5
528.82611	2.3
552.67096	2.4
697.42639	3.8
721.41339	7.2
722.27557	2.5
739.42590	13.4
771.45490	19.2
772.45782	5.4
776.92163	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	771.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	2.1
57.03323	2.4
59.01254	14.6
61.98698	4.1
69.03338	2.5
71.00816	2.2
71.01251	10.5
71.04890	2.5
72.99197	1.2
73.02813	3.3
80.02544	3.0
81.03343	3.7
83.04887	7.7
84.02066	1.4
85.02818	7.8
85.06404	1.1
87.00764	1.3
89.02306	6.0
89.67345	1.1
95.04914	2.6
96.95889	13.3
97.02831	6.7
97.06488	3.2
97.47154	1.0
101.02328	10.2
109.06477	30.8
110.06910	1.1
111.04409	1.6
113.02333	4.1
116.92744	1.4
119.03375	1.3
121.06463	1.3
125.09622	2.3
127.11134	1.5
135.08064	2.5
136.05182	1.3
137.09579	1.3
161.04462	2.6
161.09610	1.5
163.11218	18.8
165.12750	3.2
169.01407	1.4
169.12161	1.8
171.10176	19.5
179.10693	1.3
181.12279	3.6
183.13832	2.8
185.11824	1.3
191.10686	1.7
191.14447	1.1
193.12111	1.3
197.11795	15.9
199.13254	2.0
207.10207	57.8
208.10504	3.0
209.11777	100.0
210.12115	4.7
211.13329	16.7
212.13701	1.5
221.11829	1.6
225.11259	25.2
227.12830	13.1
229.14368	6.4
235.08217	12.3
235.13344	2.6
237.14897	5.1
242.41322	1.4
253.09259	30.7
267.15967	1.3
289.18164	4.2
291.19778	3.4
300.99969	1.3
307.19244	6.1
309.20685	6.7
310.20941	1.4
316.77386	1.2
325.20215	32.5
325.24100	1.6
326.20346	2.3
327.21765	66.7
328.22098	5.5
336.34708	1.6
402.24115	1.2
412.59708	1.3
443.18967	2.4
451.53500	1.4
461.20212	8.2
499.10870	1.3
517.31000	1.7
545.29889	1.5
550.82471	1.2
563.31061	2.8
583.47284	1.5
657.33478	1.3
753.40961	2.1
771.41846	25.4
772.41943	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	771.417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	4.2
58.00462	3.4
59.01250	19.9
66.85500	1.2
69.03326	3.5
71.01254	32.8
71.01659	1.6
71.14546	2.4
72.99186	1.6
73.02819	9.1
75.00784	1.4
81.03319	3.6
83.01266	2.9
83.04890	4.8
85.02811	7.1
87.00745	5.7
89.02347	7.8
91.03827	1.3
95.01263	4.4
95.04931	4.2
96.95908	3.4
97.02837	12.9
97.06470	3.2
99.00747	3.3
101.02332	10.7
107.04900	1.4
108.02091	1.6
109.02861	2.5
109.06482	11.0
111.00761	1.9
111.04385	1.4
111.08041	4.5
113.02316	5.7
119.03403	2.1
123.07996	2.6
125.09637	8.0
127.11174	6.4
135.08075	3.2
137.09615	3.6
139.07542	2.5
139.11171	1.7
143.03384	2.8
145.04871	1.7
151.11238	1.5
153.09155	2.2
155.10655	1.7
161.04482	3.9
161.09644	3.1
163.11205	15.6
165.09091	2.8
165.12756	9.9
168.06538	1.3
169.12280	3.0
171.10184	100.0
172.10567	3.3
179.10683	3.1
181.12262	6.5
185.11758	7.1
189.09058	3.5
191.10756	1.6
193.12271	1.5
193.15974	1.7
197.11755	17.0
199.09662	1.7
201.11255	40.9
202.11606	1.4
207.10220	30.5
208.10620	2.0
209.11774	47.0
210.12029	2.6
211.13257	6.7
215.12854	3.3
223.13455	1.5
225.11284	60.3
226.11575	3.9
227.12846	9.1
235.08237	7.9
243.12321	5.4
245.19113	3.1
247.20599	6.2
253.09268	26.0
254.09708	1.7
273.18579	2.3
276.15567	1.6
289.18033	6.9
291.19644	54.4
292.20029	4.6
295.10342	2.9
307.19186	5.1
308.19534	1.5
309.20700	82.9
310.21133	8.2
361.73315	1.8
443.19302	2.6
447.06619	1.8
461.20197	10.4
753.40839	5.0
771.41156	2.9
772.41626	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.8
57.03323	5.3
58.00463	3.0
59.01246	19.8
69.03326	3.3
70.90279	3.7
71.00893	2.8
71.01254	41.1
72.99151	2.0
73.02807	7.0
79.95615	2.2
81.03339	3.6
81.44185	1.4
82.91685	1.5
83.01264	3.8
83.04900	7.8
85.02810	6.1
87.00739	5.5
89.02292	8.3
95.01271	3.1
95.04893	5.2
96.95893	38.1
97.02809	8.5
97.06482	6.1
99.00740	3.2
99.04449	1.5
101.02328	12.3
109.06471	12.6
111.00750	2.7
111.08029	7.3
113.02321	8.6
123.04343	2.1
125.05923	1.8
125.09605	8.2
127.11171	4.0
130.75607	1.4
135.08029	2.0
137.09631	3.9
143.03375	3.2
145.04935	1.8
149.09558	2.2
151.11110	2.9
153.09204	1.6
153.12747	2.8
155.10657	3.2
156.83064	1.6
161.04486	6.1
161.09630	2.9
163.11198	11.7
165.09149	1.8
165.12730	5.9
169.12250	5.3
171.10179	89.4
172.10390	1.9
179.05498	2.0
179.10686	2.9
181.12222	7.9
183.13832	2.5
185.11755	6.5
188.00310	1.6
189.09056	2.7
191.14258	1.9
193.12238	6.7
197.11760	49.7
198.12161	1.8
199.09659	2.1
199.13300	5.4
201.11250	39.4
202.11530	1.7
207.10196	32.6
208.10536	2.6
209.11755	51.9
210.12077	3.2
211.13322	54.5
212.13727	3.1
215.12843	4.2
225.11269	58.7
225.14899	5.7
226.11568	3.6
227.12833	10.6
235.08170	12.4
243.12321	5.0
243.15941	3.2
245.19075	3.7
247.20900	3.0
253.09250	38.6
258.65048	1.6
263.20041	5.3
289.18042	7.5
291.19656	48.5
292.19919	3.0
295.10370	3.1
307.19150	8.6
309.20691	100.0
310.21133	9.5
341.23294	37.2
342.23590	3.0
368.67416	1.5
461.20004	9.0
462.20795	1.9
479.21286	2.5
570.04272	1.7
753.40601	4.3
771.41656	6.5
791.52191	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	771.323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	8.8
59.00954	2.5
59.01251	43.8
61.98424	2.9
61.98710	41.1
71.01266	11.4
71.58116	2.5
73.02815	5.2
78.74857	2.4
78.95786	4.7
79.95591	6.0
80.96392	9.9
83.01241	12.4
83.04887	5.9
85.02821	4.7
87.00738	9.1
88.98680	3.8
89.02322	2.8
93.03260	2.0
96.95893	36.0
97.06464	3.7
101.02319	7.1
103.81398	2.3
107.04891	12.2
111.00784	3.8
113.02358	2.6
119.03383	2.4
120.05682	6.3
120.54943	2.2
121.02829	9.0
121.06480	2.0
123.00809	2.5
125.02319	9.9
129.38301	2.0
135.04387	4.5
137.02332	2.8
137.05975	2.3
145.02855	2.5
147.04384	4.4
149.02353	2.4
149.06044	2.9
151.00272	3.1
152.04665	3.5
157.06442	2.2
159.04335	2.5
159.11685	2.4
161.02332	3.5
161.04485	2.2
161.05994	2.5
161.09642	32.4
161.13278	15.4
163.11163	6.0
169.01309	12.2
179.10692	2.4
187.11214	39.7
188.11554	2.6
189.09146	29.0
203.10660	3.2
205.12347	19.8
207.10228	11.3
209.11620	4.3
223.13319	13.5
225.00438	2.3
229.12303	2.3
231.10239	7.8
249.11296	18.8
251.07214	2.5
255.10300	4.1
267.12360	22.9
269.05432	2.3
269.08212	31.1
271.09811	3.3
273.11279	3.7
281.08105	8.3
283.09796	14.3
289.77298	2.2
298.12088	2.8
299.09293	23.3
300.09784	2.9
300.99762	7.5
301.03290	4.1
311.09259	38.1
312.09695	4.4
314.11600	46.0
315.12155	12.8
325.10727	5.7
326.11630	33.5
327.11996	6.1
329.13950	100.0
330.14178	7.4
337.08264	4.0
341.13913	57.7
342.14172	4.0
351.14557	3.5
394.59131	2.5
411.16531	23.5
414.04129	2.5
431.46100	2.8
472.94220	2.3
541.96649	2.4
739.27325	7.2
771.32324	82.0
772.32843	12.7
789.50745	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	0.2
59.82194	0.1
61.98703	0.3
64.20085	0.1
64.20518	0.1
66.69865	0.1
77.18829	0.1
78.95308	0.2
78.95776	4.0
79.95610	3.4
90.17921	0.1
93.26880	0.1
94.97958	0.1
96.95890	100.0
96.96781	5.7
98.02345	0.2
108.59300	0.1
108.64105	0.1
108.81617	0.1
113.02305	0.1
126.52038	0.1
169.01405	0.3
183.40132	0.1
207.10254	0.2
209.11746	0.7
220.48497	0.1
223.13300	0.2
231.09984	0.1
236.65498	0.1
265.07593	0.6
291.03940	0.2
457.19077	0.2
457.54730	0.1
483.15399	0.3
522.95526	0.1
671.41302	0.2
771.34009	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58628	0.9
59.01252	15.2
61.98701	16.2
71.01258	15.2
73.02817	7.9
79.95607	1.4
80.04961	1.4
80.96408	2.2
83.01256	2.7
85.02828	3.1
87.00773	1.8
88.47113	0.8
88.98672	1.9
89.02338	3.2
92.04905	1.0
95.01239	1.5
96.69813	1.1
96.95883	10.5
96.96889	0.9
101.02340	4.2
106.06538	2.2
108.04445	1.3
113.02342	3.7
119.42543	0.9
120.04439	1.3
122.06015	4.1
123.00739	1.4
125.02346	2.9
132.04440	8.5
134.06026	22.9
135.04404	1.4
146.06061	1.1
150.03081	1.0
152.07089	2.0
161.09668	1.4
164.98671	1.1
169.01355	2.7
187.11203	2.0
189.09091	1.4
205.12268	1.3
207.10269	1.0
209.11833	1.0
213.10269	32.9
214.10706	2.2
223.08707	1.2
225.10245	2.6
227.11922	1.5
235.08719	1.1
237.10039	1.6
239.11905	15.3
241.09749	1.0
241.13445	2.2
251.08252	4.2
251.11855	4.9
253.13501	2.3
265.09720	1.5
265.13788	1.0
267.11383	13.6
267.14844	1.7
268.11688	1.6
269.08325	2.3
277.09894	1.5
278.10522	0.9
279.11407	10.9
280.11664	1.1
285.12466	11.0
293.13052	2.8
297.12494	1.4
299.09491	1.1
300.99884	2.1
301.12241	1.6
311.09363	2.1
314.11792	2.2
316.14542	5.6
326.11609	1.6
327.13498	8.9
328.14215	1.6
329.13947	5.7
341.13950	3.6
342.12552	2.6
343.13208	1.7
343.36557	1.1
346.15576	2.4
358.15607	17.8
370.15475	3.3
387.15323	1.1
412.16696	2.2
458.57050	1.1
463.21631	1.8
493.22650	1.7
505.22614	1.6
565.24268	2.7
584.69116	1.2
592.23431	3.1
607.25415	2.9
634.92657	1.0
655.28168	1.1
685.28229	2.7
699.30548	2.3
727.29828	100.0
728.30298	19.1
771.32892	6.7
772.32373	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	771.1992
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
56.18460	0.8
59.45634	0.5
63.02307	0.6
64.84749	0.5
65.00192	0.6
71.01227	0.5
83.01266	1.4
86.39275	0.5
92.26480	0.5
107.01299	2.1
108.02056	1.7
111.00723	0.6
121.02834	0.9
122.22923	0.6
125.02328	2.0
148.01569	1.0
151.00275	9.2
163.00275	1.1
169.01396	2.7
178.99739	6.6
180.00200	0.8
184.80647	0.6
193.01311	0.9
199.03993	1.1
199.73387	0.6
201.01903	0.7
211.03989	1.3
215.03540	0.9
226.02597	1.8
227.03519	3.1
229.04990	0.7
243.02956	12.4
254.02190	2.3
255.02974	27.8
256.03445	1.8
263.01923	0.8
271.02478	61.3
272.02939	5.5
273.04013	0.9
275.01938	1.9
299.01962	4.0
300.02750	100.0
300.99905	2.8
301.03262	17.4
303.74841	0.6
319.01151	0.7
373.43478	0.6
423.94482	0.6
466.52304	0.6
467.03781	0.9
591.13892	1.3
596.95673	0.8
609.14807	1.0
771.19946	56.3
772.20313	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	771.142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07457	1.3
54.81292	1.3
57.88148	1.2
59.01236	3.4
68.12315	1.3
71.01248	1.9
71.57357	2.6
94.11076	1.1
96.95884	1.3
101.02362	1.2
103.79777	1.2
107.01250	2.1
121.02837	1.4
125.02325	3.4
131.07047	3.6
137.02347	1.4
145.02806	1.3
147.04422	2.1
151.00273	1.6
164.09958	1.3
169.01396	6.8
173.02350	2.8
173.08109	2.0
185.02350	2.1
191.03366	2.2
201.01884	2.6
217.01152	1.4
229.01324	4.4
245.00879	2.5
247.02591	2.0
271.02448	3.8
273.00449	2.4
275.01990	1.7
283.99670	2.4
299.01974	3.0
299.99020	4.6
300.02719	4.4
300.99908	100.0
301.03244	3.4
302.00140	7.2
384.17172	1.4
436.70157	1.6
469.13449	10.4
614.08746	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	770.433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.4
61.98706	100.0
63.28311	0.5
70.53172	1.6
71.01264	0.7
78.98452	0.6
79.95595	0.6
80.96393	4.6
94.97980	1.2
97.45280	0.5
103.05151	0.5
107.66714	0.5
113.02363	0.6
121.22263	0.5
151.86218	0.5
152.98511	0.6
174.36938	0.5
183.13918	0.5
211.13342	6.5
211.15152	0.7
212.13712	5.0
213.13980	1.3
225.00726	0.7
237.52368	0.5
253.09427	0.6
277.21719	4.0
278.22101	3.7
279.22311	2.7
280.22629	0.8
508.86935	0.5
771.40344	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	771.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
69.98734	2.4
85.34539	0.4
91.35792	0.4
95.01275	1.5
97.02844	0.5
98.20533	0.5
101.02338	0.4
101.75014	0.5
107.01263	0.6
110.71489	0.4
116.29176	0.4
119.04910	0.7
123.00757	4.0
124.01549	0.4
125.02334	5.5
133.02846	0.6
134.06891	0.5
145.02847	1.4
147.04411	1.2
149.02333	0.5
151.00255	0.9
157.02827	1.3
159.04436	1.0
161.02357	0.6
163.03958	0.8
164.01028	0.5
166.99808	0.7
169.01338	5.1
173.02344	1.9
175.03917	1.6
176.37782	0.5
177.01877	0.9
185.02383	4.1
189.01904	1.7
190.02623	0.8
191.03452	2.1
193.01408	0.6
201.01859	3.9
202.02388	0.5
203.03415	2.1
207.78319	0.5
213.01886	0.8
214.02440	0.5
217.01410	1.6
219.02971	0.8
226.99780	0.6
228.00487	0.6
229.01387	6.5
231.02933	3.5
245.00879	3.8
247.02444	1.7
248.00905	0.6
248.03192	3.0
249.04007	3.8
257.00943	4.3
258.01422	0.9
273.00476	2.8
274.01181	1.4
275.01978	9.9
276.02277	0.8
283.99695	2.7
291.01422	1.9
299.99063	3.6
300.99896	100.0
302.00244	7.1
601.12292	1.4
615.05920	0.7
771.14160	25.8
772.14685	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	769.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33133	0.5
59.01261	4.6
61.98651	0.5
65.54996	0.5
66.44538	0.5
71.01256	2.9
71.57019	0.6
71.89101	0.5
72.75295	0.5
73.02831	0.9
80.96395	0.6
83.01270	2.2
83.04889	0.5
84.02048	0.5
85.02818	1.5
87.00744	1.0
88.36442	0.5
89.02335	1.4
95.01276	0.6
95.96246	0.5
97.02798	0.6
101.02320	3.7
113.02344	2.0
125.09612	2.0
127.11136	0.7
143.17116	0.6
143.68748	0.5
161.04466	1.3
163.11252	1.0
171.10162	2.0
185.11780	0.6
191.10645	1.4
207.10211	0.8
209.11761	8.2
210.12091	0.6
213.11267	1.1
227.12885	1.7
235.08153	6.6
241.14462	0.7
253.09276	10.3
273.17081	60.1
274.17462	4.0
277.21732	100.0
278.22070	7.9
317.30905	0.6
335.88748	0.5
369.38177	0.6
533.38623	1.7
769.40155	1.1
791.19586	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33133	0.5
59.01261	4.6
61.98651	0.5
65.54996	0.5
66.44538	0.5
71.01256	2.9
71.57019	0.6
71.89101	0.5
72.75295	0.5
73.02831	0.9
80.96395	0.6
83.01270	2.2
83.04889	0.5
84.02048	0.5
85.02818	1.5
87.00744	1.0
88.36442	0.5
89.02335	1.4
95.01276	0.6
95.96246	0.5
97.02798	0.6
101.02320	3.7
113.02344	2.0
125.09612	2.0
127.11136	0.7
143.17116	0.6
143.68748	0.5
161.04466	1.3
163.11252	1.0
171.10162	2.0
185.11780	0.6
191.10645	1.4
207.10211	0.8
209.11761	8.2
210.12091	0.6
213.11267	1.1
227.12885	1.7
235.08153	6.6
241.14462	0.7
253.09276	10.3
273.17081	60.1
274.17462	4.0
277.21732	100.0
278.22070	7.9
317.30905	0.6
335.88748	0.5
369.38177	0.6
533.38623	1.7
769.40155	1.1
791.19586	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00459	1.2
59.01248	16.5
61.98674	1.6
68.99699	1.4
70.73479	2.3
70.73809	1.2
71.01253	12.9
73.02810	1.6
73.82611	1.1
78.95738	1.6
80.96370	1.1
81.03305	1.3
83.01277	1.8
83.04894	3.5
85.02824	2.3
87.00742	2.8
89.02313	6.6
95.04911	2.4
97.02827	1.5
101.02327	9.6
111.04384	1.5
113.02331	3.5
119.03403	1.5
151.11180	3.2
152.53873	1.2
153.09093	1.3
153.12782	2.3
161.04483	3.5
163.11159	2.1
165.12766	2.8
169.12260	52.0
170.12637	2.0
171.10202	11.9
179.10638	2.6
185.11743	3.1
195.10149	1.8
197.11766	100.0
198.12128	3.2
199.83624	1.4
205.06615	1.5
205.08617	3.9
209.11777	59.7
210.12074	2.0
213.11229	2.4
215.13039	1.3
223.09821	6.6
227.12915	6.8
235.08174	4.0
253.09271	14.0
253.21794	2.8
263.20157	1.6
277.21719	96.5
278.21902	7.3
291.19727	2.6
309.20618	6.8
433.20654	2.0
459.18787	1.8
560.04388	1.3
660.71765	1.4
737.41187	95.7
738.41455	19.6
751.38690	1.8
763.54260	1.4
769.43768	45.8
770.44421	10.1
774.50452	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.2
58.00478	0.7
59.01249	7.3
61.73669	0.7
61.98705	1.2
69.03337	5.4
71.01254	7.6
71.04889	1.3
71.33716	1.5
71.34084	0.7
73.02821	1.8
83.01296	0.8
83.04926	1.4
85.02842	1.7
86.55193	0.7
87.00775	1.2
87.03292	0.7
89.02327	2.8
95.01260	0.8
96.95880	0.7
97.02832	1.1
97.06474	1.9
99.00789	0.7
101.02332	4.5
107.76318	0.7
109.06428	0.8
111.04413	0.7
111.08026	5.2
113.02355	2.7
123.07998	0.9
125.02370	1.1
125.09605	3.0
137.09590	0.6
140.08633	0.7
151.11194	4.0
153.12775	2.4
161.04449	1.1
161.09601	4.4
169.01353	1.7
169.12250	4.4
171.10179	4.2
179.10716	7.4
193.12193	0.7
197.11766	90.2
198.12073	4.5
199.13309	1.5
207.10173	2.0
209.11812	6.6
211.13387	3.7
212.13716	0.7
223.09715	2.7
225.11230	2.5
226.29108	0.8
227.12862	1.5
235.08270	1.0
241.10675	3.5
253.09268	4.6
263.20212	1.2
289.18069	1.0
291.19653	3.0
300.99994	1.1
307.19128	1.5
309.20627	6.2
323.22202	1.1
327.21841	1.3
459.18643	1.5
465.26367	0.7
477.19727	1.4
514.75507	0.7
630.57452	0.9
751.37891	0.9
769.40125	100.0
770.40430	18.8
774.35431	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	3.4
59.01250	13.3
61.98697	14.2
67.43794	1.6
69.03323	4.2
71.01246	9.3
71.43678	3.2
72.99193	2.7
73.02825	2.6
83.01280	1.9
83.04866	3.0
85.02819	2.1
89.02312	2.9
93.04286	1.5
95.04900	2.0
95.83044	1.6
96.95920	2.5
97.02832	3.2
101.02328	6.0
109.06480	4.0
111.04401	2.2
111.08047	3.7
113.02303	3.0
120.07173	1.6
123.00831	2.0
125.02338	6.3
125.09612	5.2
135.08055	1.9
140.80301	1.5
151.11191	2.8
153.12755	2.0
158.48138	1.5
159.84225	1.6
161.09651	3.6
163.11168	3.4
165.12750	1.6
169.01393	8.0
169.12202	3.4
171.10191	14.4
179.10732	10.6
197.11763	100.0
198.12114	3.9
201.11209	3.6
207.10229	5.4
209.11757	22.2
211.13362	3.9
223.09761	5.5
225.11224	11.4
227.12851	4.5
235.08282	2.4
241.10823	5.7
247.13434	2.1
253.09221	10.0
279.18112	1.7
287.16928	2.0
289.18115	8.8
300.99969	4.5
303.74420	1.6
305.17615	2.7
307.19147	3.2
309.20654	7.2
329.02969	1.7
459.18045	2.4
477.20093	3.9
751.38440	3.0
769.40210	93.5
770.40503	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	769.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.8
57.03321	4.0
59.01251	26.4
61.98713	2.4
68.96311	1.5
68.99700	8.5
69.03326	5.8
69.84007	12.0
71.01252	19.7
72.99177	4.1
73.02814	2.8
75.45718	2.2
83.01276	3.2
83.04896	3.8
85.02823	3.8
87.00755	4.4
89.02328	7.4
94.97969	2.6
95.01262	2.9
95.04882	2.4
96.95892	3.0
97.02837	12.6
97.06477	5.8
99.00769	4.3
101.02366	9.6
103.58906	1.9
107.01249	2.6
107.04872	3.0
109.02829	2.5
109.06433	3.6
111.04404	16.3
111.30516	1.6
113.02309	7.1
119.03404	2.8
123.00810	1.9
123.04387	3.9
123.08035	4.8
125.02332	4.5
125.05991	3.5
125.09635	11.7
127.11150	3.3
137.09627	4.9
142.02654	2.4
151.11206	6.2
153.09206	4.0
155.10732	2.3
161.04448	4.5
161.09624	12.7
163.11226	5.4
165.12727	4.7
167.10692	2.3
169.01335	7.2
169.12292	2.7
171.10188	100.0
171.87770	1.8
172.10500	3.5
177.09105	7.6
179.10698	13.0
181.12259	7.0
183.13783	4.0
185.11720	4.7
191.88399	2.1
193.12212	1.7
195.10147	3.3
197.11768	15.4
197.88820	2.1
201.11159	3.3
205.08664	24.1
207.10211	8.2
209.11778	18.7
211.13315	8.6
213.11232	8.9
221.11671	2.1
223.09715	63.2
224.09976	2.8
225.11301	9.4
227.12799	7.1
235.08223	7.7
241.10779	5.6
245.19057	2.0
247.20631	4.3
253.09268	24.6
273.18732	2.5
289.17844	2.6
291.19675	44.5
292.19958	3.5
300.99832	2.9
305.17575	2.8
307.19025	5.1
309.20697	74.0
310.20941	7.3
323.22122	2.2
407.19156	2.0
459.18796	11.4
477.19232	2.5
483.86081	2.2
501.94522	2.4
699.41821	1.8
725.37598	2.4
751.38922	15.8
752.38928	3.3
769.40234	33.3
770.39832	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	769.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	1.9
57.03318	4.1
59.01254	23.7
60.28045	2.1
68.99688	12.5
69.03300	4.9
71.01253	38.2
72.99173	3.9
73.02821	3.8
81.03298	3.0
83.01271	4.0
83.04899	5.4
85.02818	7.3
87.00761	4.3
89.02315	7.4
95.04882	3.3
97.01080	1.9
97.02834	16.2
97.06483	6.0
98.19829	4.5
99.00725	2.2
101.02336	13.2
107.04900	2.5
109.06448	3.7
110.03595	5.6
111.04402	28.3
111.08046	10.5
113.02309	8.2
121.02811	2.1
121.06454	2.7
123.04374	2.3
123.08028	4.2
125.02299	3.5
125.05970	4.1
125.09611	8.8
131.73845	1.9
137.09592	4.9
151.11186	8.0
153.09109	7.5
155.10687	4.1
161.04462	5.2
161.09605	12.3
163.11179	5.5
165.12755	10.3
169.01323	2.2
169.12346	3.2
171.10181	100.0
172.10568	3.2
177.09148	9.6
179.10699	17.6
181.12267	4.1
183.13727	3.1
185.11711	5.9
195.10150	4.4
197.11765	25.1
199.09615	4.2
201.11145	4.8
205.08649	29.9
207.10146	7.0
209.11758	32.0
211.13332	8.7
213.11263	10.6
223.09695	83.4
224.10034	5.7
225.11226	7.6
227.12837	7.5
235.08157	8.8
241.10742	7.8
247.20566	6.4
253.09267	29.6
273.18457	2.8
291.19653	53.0
292.19913	4.9
307.19336	3.6
309.20685	97.8
310.21121	11.6
323.22357	2.5
348.56702	2.3
387.42416	2.0
407.19281	3.3
441.17664	7.8
459.18839	12.3
460.19284	2.5
469.56851	2.2
545.29797	3.3
564.36993	2.1
725.37158	2.6
751.39148	21.2
752.39996	3.4
769.39984	28.2
770.40472	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	769.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49517	0.7
55.01710	0.8
56.01690	0.8
57.67916	0.8
59.01248	2.4
61.98707	14.8
63.96115	1.7
69.03329	0.8
69.76591	3.2
69.77004	1.9
71.01259	9.4
71.79620	0.8
73.02824	2.6
75.67257	0.7
78.95764	1.5
78.98460	6.5
79.70161	0.9
79.95605	15.9
80.96392	82.8
81.03362	1.0
83.01255	1.2
83.04895	1.2
85.02812	3.6
87.00758	3.0
89.02367	1.3
94.97961	18.5
95.01281	1.3
96.95877	9.1
97.02832	2.7
98.20497	1.5
99.00739	1.7
101.02322	4.1
106.12245	0.8
106.97968	3.4
113.02328	1.5
116.92764	1.0
122.97456	3.7
125.02339	6.8
125.83044	0.8
127.03917	1.1
134.97461	5.4
136.99057	1.6
145.06140	1.3
148.99034	7.4
152.98529	6.6
161.04341	0.8
164.98537	15.0
165.05463	0.8
166.99905	1.0
169.01299	4.6
171.44666	0.7
175.79790	0.8
178.52625	0.8
206.99615	2.9
209.11783	5.3
210.12114	1.0
225.00682	22.8
253.82674	0.9
271.61722	0.9
299.99112	1.9
300.99969	1.7
301.03683	0.9
375.09299	0.8
509.17197	1.6
521.89093	0.8
528.33038	0.8
607.27930	1.1
626.56573	0.9
751.27740	1.1
769.33258	100.0
770.20782	1.6
770.33539	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.6
61.98707	4.6
69.28195	0.3
69.28593	1.8
71.01248	0.6
74.95278	0.2
78.95752	0.3
79.86869	0.2
89.02323	0.3
93.03351	0.2
95.01224	0.2
96.95889	4.4
96.96839	0.4
101.02330	0.2
101.96979	0.2
107.01269	0.4
111.00828	0.2
123.00726	0.4
125.01491	0.2
125.02316	1.6
132.02086	0.5
133.63095	0.2
148.01570	0.3
151.00293	0.2
160.01605	1.0
163.00375	0.2
165.05510	0.5
168.00548	0.2
169.01346	1.6
172.01582	0.8
175.03999	0.2
176.01079	0.4
178.99786	0.2
188.01019	0.5
190.95929	0.2
195.06610	0.2
199.00223	0.2
200.01111	1.8
201.05417	0.2
214.99715	0.3
216.00558	2.6
226.99893	0.3
228.00470	0.3
229.01265	0.3
242.99271	1.4
244.00090	2.2
250.63474	0.2
270.98859	1.0
271.02094	0.3
271.99585	0.5
275.01917	0.2
282.98792	0.4
283.99332	0.2
285.04150	0.2
298.98398	0.9
299.99109	100.0
300.99591	10.8
301.03131	0.3
302.00253	0.4
353.80057	0.2
354.81882	0.2
769.24188	0.6
770.24335	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	0.4
61.98702	4.5
69.23293	0.3
69.23705	1.6
71.01257	0.6
75.96814	0.2
78.95776	4.1
79.95611	4.1
80.96398	1.4
89.02332	0.2
89.14247	0.1
94.97955	0.3
96.95895	100.0
96.96780	5.1
97.95821	0.2
98.02406	0.2
98.20509	0.3
101.02339	0.2
125.02342	0.6
169.01337	0.5
171.10217	0.3
207.10194	0.4
209.11795	1.1
211.13394	0.6
225.00766	0.2
225.11298	0.2
227.12877	0.2
265.07684	0.8
281.06998	0.3
300.99875	0.4
455.17868	0.2
461.20361	0.2
473.18820	0.3
481.13867	0.2
499.15097	0.2
769.32758	1.7
770.33344	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87827	0.5
59.01253	16.5
61.23613	0.5
71.01253	2.7
78.23773	0.5
79.95620	0.8
80.96384	2.4
82.95953	1.4
85.02843	0.9
87.00768	1.0
89.02313	1.5
95.70031	0.5
98.19731	0.8
101.02338	1.7
113.02328	0.8
145.04967	0.9
147.82162	0.6
148.98923	0.5
161.04478	1.5
162.04620	0.5
183.13853	4.1
193.12314	1.1
211.13344	77.4
212.13710	4.2
225.00728	0.8
228.62706	0.5
235.08174	4.9
253.09270	7.6
272.75562	0.6
277.21729	100.0
278.22086	7.7
424.57437	0.5
429.21149	1.1
447.22525	2.5
486.06357	0.6
490.02173	0.6
513.30725	1.0
541.02844	0.7
709.25195	0.6
767.41614	5.6
768.41290	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.3
61.98704	100.0
69.07561	0.2
71.01263	0.2
79.95610	0.3
80.96404	0.4
89.92575	0.2
96.95900	0.7
98.20543	0.4
99.91887	0.2
104.37897	0.2
109.04271	0.2
124.01518	0.2
125.02356	0.7
136.01588	0.7
151.03949	0.6
164.98251	0.2
169.01399	0.6
187.11258	0.2
193.82607	0.2
231.01996	0.2
262.65637	0.2
300.99905	0.3
357.13538	0.6
617.18848	0.3
768.32117	0.3
769.31171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.2
60.99179	18.8
61.98717	0.6
71.01258	1.1
72.10741	0.4
80.96395	0.8
87.00742	0.9
87.32033	0.4
88.00259	1.3
88.98679	100.0
89.02322	6.9
89.99020	0.6
91.92117	0.4
101.02344	0.8
107.01269	0.5
108.14758	0.4
125.02333	2.4
133.02814	0.5
163.11012	0.5
168.00537	0.6
169.01366	3.2
188.04056	0.5
192.14612	0.4
202.00407	0.4
207.10153	1.0
209.11700	0.7
211.13364	1.7
225.11288	0.6
253.09410	0.8
260.85233	0.5
275.01987	0.7
277.21753	1.6
300.99973	1.8
321.52332	0.5
323.22266	0.9
444.78964	0.5
465.06958	1.1
767.42603	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	53.6
60.99181	1.9
69.03315	1.6
69.29424	9.9
71.01261	2.6
77.46346	0.8
88.98676	11.1
89.02316	1.8
93.03346	7.4
95.01286	3.3
96.95903	1.6
101.02319	1.7
107.01273	2.0
107.04947	1.4
107.27018	1.0
111.08063	1.4
121.02861	4.9
122.03651	7.0
123.00754	4.6
124.01658	1.1
125.02343	20.4
130.20346	1.1
133.02831	1.3
134.03639	2.8
135.04439	1.0
137.02345	6.8
137.05986	1.6
139.00266	1.7
149.02342	55.8
150.03134	53.5
151.00287	3.4
151.03679	2.0
153.05489	1.9
155.07033	9.4
163.04018	1.0
164.04713	20.1
165.05492	74.1
166.05865	3.8
166.99756	2.5
168.00575	1.3
169.01338	25.0
175.02399	1.9
175.03934	1.2
177.01938	1.3
177.05495	1.2
178.02705	1.4
178.99844	1.5
179.03368	1.1
180.04259	4.6
181.05008	7.3
182.05849	1.0
189.01796	1.2
193.04967	3.4
193.08620	4.0
195.06560	69.9
196.07217	7.7
197.08107	1.6
201.01863	1.1
211.09717	6.6
229.01347	1.1
245.04602	1.0
255.02995	1.6
271.02432	2.6
275.02145	1.2
285.04416	1.4
299.99420	1.9
300.02737	5.1
300.99890	10.1
301.03534	5.6
302.00296	1.3
313.05655	2.6
313.10724	1.6
339.43015	1.2
339.47052	1.0
344.12643	18.4
345.13083	1.3
349.16562	2.2
359.14996	100.0
360.15387	8.8
389.15909	3.1
407.17123	45.0
408.17279	4.8
465.06784	6.3
497.21875	11.3
498.22238	2.1
513.98969	1.0
525.47009	1.2
545.24060	3.0
615.13409	13.1
616.12878	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	767.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02254	2.1
65.00171	2.7
66.40422	1.0
69.03322	2.7
71.01257	2.4
72.99191	1.6
81.03339	1.4
83.01247	1.3
85.02818	1.5
87.00780	1.2
91.40587	0.8
95.01237	2.4
97.02814	1.5
101.02290	2.0
107.01284	9.9
108.02052	1.3
109.02831	1.3
111.00748	2.3
113.02323	2.4
121.02833	4.0
123.00770	9.4
124.01543	2.6
125.02347	58.8
126.02706	1.6
136.73689	0.9
139.00284	3.8
139.03906	1.6
140.01035	2.2
141.01889	1.4
145.02878	1.2
145.04224	1.0
148.01538	1.7
149.02303	1.2
151.00288	25.1
152.00620	1.2
163.00320	2.6
163.03885	1.0
164.01042	2.1
165.01898	1.1
166.99773	3.2
167.03464	1.3
168.00555	6.1
169.01347	72.6
170.01718	1.6
178.99788	12.7
179.03412	1.5
187.03984	1.6
191.03355	1.9
193.01303	3.5
203.03458	1.6
207.02959	1.2
211.02409	4.0
221.04477	4.4
226.02596	1.1
227.03413	4.5
243.02974	9.0
245.04388	1.4
255.02992	23.1
256.03348	1.6
271.02484	51.5
272.02997	6.0
273.03915	1.7
283.02451	1.5
285.04034	2.0
299.01956	3.3
300.02753	100.0
300.99936	2.7
301.03442	49.0
302.03879	4.1
313.05710	17.2
463.08871	6.7
464.09186	1.7
465.06711	18.4
466.07132	2.4
479.63464	1.3
537.62958	1.1
597.09235	1.3
615.09906	38.9
616.10651	7.0
767.10968	77.9
767.89807	1.1
768.11243	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	767.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.4
63.02277	1.5
65.00201	2.1
67.01775	1.6
69.03314	2.1
69.35370	3.3
69.35778	8.7
71.01260	3.2
79.01782	1.4
83.01279	3.9
85.02845	4.3
95.01277	3.6
97.02843	2.4
101.02339	7.5
107.01272	18.9
107.04910	1.1
109.02815	2.0
111.00764	2.1
113.02332	5.5
121.02876	5.6
123.00789	17.9
124.01588	2.8
125.02345	78.3
126.02633	1.2
130.44191	1.1
137.02396	1.7
139.00287	5.6
139.01213	1.1
140.01059	4.3
141.01833	2.6
143.03429	2.0
145.02841	2.1
149.02357	2.1
151.00287	24.4
151.03825	1.9
161.02350	3.3
165.01976	1.6
166.99757	4.7
168.00545	6.9
169.01344	100.0
170.01688	2.8
177.01848	1.5
178.99774	5.3
179.03448	7.4
191.03448	3.3
193.01334	4.1
194.21257	1.3
207.02843	1.3
209.04555	1.4
211.02359	1.8
221.01018	1.1
223.02393	1.3
227.03535	1.7
230.80566	1.1
243.03020	2.1
245.04456	1.5
247.02376	1.5
255.03040	2.9
271.02472	7.1
295.04684	6.9
299.01974	2.4
300.02765	7.2
301.03506	21.7
313.05676	42.1
314.06107	2.8
394.35132	1.3
421.07779	11.0
465.06741	93.1
466.07123	11.3
597.08160	1.5
615.09839	12.5
616.08704	1.7
633.91333	1.4
767.11017	14.3
768.11304	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	767.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.9
59.84617	0.5
65.00180	1.3
67.01757	0.6
69.03351	0.9
69.22614	4.0
69.23040	3.7
71.01272	3.1
75.21030	0.6
79.01759	1.1
83.01254	2.1
85.02822	1.2
87.00729	1.2
95.01258	2.7
97.02815	2.0
101.02303	2.3
107.01272	8.9
109.02814	1.9
111.00784	2.1
113.02328	2.2
121.02808	2.2
123.00768	12.7
124.01546	2.4
125.02341	47.6
126.02644	1.4
127.00254	0.9
136.98679	1.8
137.02347	1.6
139.00284	3.5
140.01077	3.8
141.01817	1.4
149.02325	1.3
151.00284	12.5
151.03934	0.8
153.01843	1.8
153.38550	0.7
163.00281	1.5
163.03807	0.8
165.01852	1.1
165.69156	0.7
166.99773	1.8
167.03380	1.3
168.00565	7.0
169.01343	61.4
170.01662	2.1
175.22725	0.7
178.99791	2.2
179.03339	1.0
181.01414	1.1
191.03471	1.1
193.01352	4.7
195.02940	0.7
207.02866	1.4
211.02429	9.4
223.02496	1.0
227.03535	0.9
234.20981	0.7
241.03467	1.0
245.92003	0.8
248.04514	0.6
253.03477	2.4
255.03006	2.2
271.02457	2.6
272.02982	0.9
295.04608	2.6
300.02762	6.7
301.03522	8.8
313.05658	19.0
314.05945	1.0
362.67902	0.7
463.08423	0.8
465.06735	100.0
466.07083	11.4
615.09863	6.2
616.10767	1.0
744.72253	0.8
793.13007	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88913	0.4
59.01250	8.0
59.12133	0.4
61.98694	1.4
69.26219	0.4
71.01254	1.1
71.55814	0.6
72.99176	1.5
80.96358	0.4
85.02833	0.6
86.67936	0.4
87.85016	0.3
88.98663	1.3
89.02302	1.2
93.79053	0.4
95.01246	0.5
96.95908	0.4
101.02339	1.2
108.61955	0.4
113.02330	0.5
119.03371	0.4
167.14355	0.5
169.01312	1.0
171.97298	0.4
183.13860	5.7
184.14302	0.4
193.12222	1.8
211.13339	100.0
212.13680	5.3
221.11681	0.5
235.08167	1.0
239.12886	0.4
253.09216	2.7
289.18188	0.6
300.99948	0.9
307.86346	0.4
387.25195	0.5
388.21417	0.4
429.21094	1.8
437.49036	0.4
447.22366	10.4
448.22614	0.9
489.03738	0.5
623.34149	2.4
641.35718	1.9
763.61261	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85802	0.5
59.01251	0.7
63.02288	0.7
65.00197	1.7
67.01774	0.6
70.05468	1.9
70.05882	1.0
71.01256	4.3
72.99177	0.6
81.03340	0.7
83.01267	1.2
85.02822	1.4
89.20806	0.5
91.27142	0.5
93.03333	0.5
95.01260	1.3
97.02812	1.7
98.19781	0.6
101.02312	1.3
107.01265	8.9
109.02830	1.3
111.00758	1.0
113.02303	1.4
118.01971	0.5
121.02847	2.5
123.00757	7.9
123.04436	0.6
124.01582	1.4
125.02342	47.5
126.02673	1.1
136.98715	0.8
137.02292	0.9
139.00266	2.4
140.01111	2.5
141.01820	0.9
149.02316	1.5
151.00275	14.1
153.01802	0.9
163.00214	0.8
163.03992	0.6
165.01857	0.6
166.99738	1.4
167.03378	0.6
168.00594	3.8
169.01337	64.8
170.01691	2.6
175.04018	0.5
178.99759	2.7
179.03421	1.3
179.69414	0.5
181.01361	0.8
193.01370	4.0
195.02873	0.7
211.02414	4.6
214.02367	0.5
216.23119	0.5
223.02417	1.1
235.02579	0.6
241.03564	1.2
245.04564	0.6
253.03398	1.4
255.03062	1.8
271.02313	2.8
272.02475	0.6
295.04562	1.9
297.06247	2.7
300.02725	5.1
301.03500	12.6
302.03809	1.1
313.05643	26.1
314.06213	2.4
463.09189	0.9
465.06720	100.0
466.07043	11.4
615.09521	5.2
767.11029	4.1
768.11798	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	765.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.0
63.91870	0.6
63.96103	1.6
69.03304	0.8
71.01250	8.9
71.42620	0.6
73.02778	0.8
78.98461	5.9
79.95609	15.1
80.96391	81.3
81.03350	1.0
85.02828	2.2
87.00742	3.2
91.88106	0.6
94.97377	1.3
94.97958	19.3
96.95876	1.3
97.02836	1.9
98.19753	1.6
101.02335	3.6
105.46200	0.7
106.97977	4.4
110.18060	0.8
122.97476	4.2
125.02337	3.1
127.03911	0.9
132.66992	0.7
134.97504	5.0
136.99040	2.1
148.99039	7.6
152.98544	8.0
154.99904	0.6
158.12630	0.7
164.98546	13.1
206.99667	3.7
209.11731	1.6
225.00690	24.0
226.01057	1.0
255.23219	2.2
283.05234	0.8
509.16977	2.8
537.27179	0.8
765.40967	100.0
766.41345	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	765.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.8
60.99178	17.3
61.31664	0.5
61.98694	0.7
64.75351	0.5
67.42472	0.5
68.20058	0.5
71.01249	0.7
71.56456	0.7
71.56829	0.5
78.95778	0.7
80.96373	0.7
87.00734	1.1
88.00281	1.1
88.98679	100.0
89.02328	7.1
89.99030	0.8
96.95879	0.7
125.02312	1.4
169.01355	1.5
171.10117	1.0
197.53255	0.5
209.11800	1.5
223.13353	1.6
238.74280	0.5
258.48477	0.5
272.25034	0.6
277.21817	0.6
300.99823	0.9
397.13351	1.0
406.20563	0.6
682.14917	0.6
765.40167	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.3
60.99178	17.5
61.98672	0.2
63.28095	0.1
66.34367	0.1
71.01259	0.5
71.56731	0.3
72.99179	0.2
80.96350	0.2
84.93780	0.2
87.00742	1.6
88.00278	2.6
88.98679	100.0
89.02314	8.7
89.99008	0.7
101.02349	0.4
124.82372	0.2
125.02348	0.2
129.23941	0.1
169.01398	0.4
171.56580	0.2
205.02153	0.2
209.11754	0.3
237.14764	0.2
277.21674	0.4
397.13492	0.7
415.14651	0.3
609.15979	0.2
622.90009	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.472
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20943	0.8
58.29544	0.9
59.01254	17.1
61.98700	4.5
69.60684	0.8
71.48787	0.9
71.49107	1.3
78.95773	30.4
80.02550	2.2
80.96390	2.9
81.03333	2.8
83.01284	1.8
83.04884	10.2
84.02031	2.2
93.08788	0.9
95.04920	1.4
107.79800	1.1
109.08710	0.9
122.98317	0.9
125.00059	1.0
125.09607	1.1
135.07974	0.9
152.99498	2.7
163.11166	7.4
165.12729	5.0
168.04208	7.0
181.47937	1.0
191.10725	3.2
201.57802	1.0
209.11768	100.0
210.12105	5.8
223.13397	3.3
224.07030	4.9
226.12065	2.1
227.12830	19.0
241.14429	19.0
255.23267	86.0
256.23672	6.3
277.21643	1.3
306.75214	0.9
419.25995	1.1
434.20200	0.9
462.30197	1.3
480.30820	4.3
481.31567	1.1
619.35931	1.8
645.37653	2.5
690.43457	99.1
691.43793	19.5
704.44794	6.9
764.40918	2.7
765.40851	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76102	0.3
57.52308	0.4
62.90822	0.3
117.03396	0.5
125.47134	0.3
133.02808	0.4
145.02840	1.0
157.02899	0.4
161.02351	0.4
163.03868	0.5
173.02409	1.5
185.02351	2.2
189.01909	0.4
201.01826	2.0
217.01390	0.9
226.99805	0.8
229.01381	4.4
245.00851	1.5
257.00870	2.1
283.99588	2.9
299.99088	2.5
300.02716	1.0
300.99896	100.0
302.00262	6.2
463.08957	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	18.1
60.99176	20.5
61.98719	20.9
62.72256	3.5
69.27991	35.8
71.01258	17.5
72.99170	17.2
73.02811	4.2
75.00740	9.1
78.90157	3.1
81.03352	5.0
83.04878	9.4
85.02831	5.4
87.00742	19.1
88.98682	100.0
89.02317	12.2
96.95898	20.0
101.02324	11.8
109.06477	11.8
113.02357	6.5
116.92751	4.4
121.02844	3.3
125.02341	9.0
154.56854	3.2
155.06993	4.4
157.87823	3.7
163.11230	10.4
169.01346	9.1
171.10181	28.1
201.11082	3.7
207.10208	43.2
208.10495	3.5
209.11772	65.9
211.13397	35.4
225.11304	17.8
227.12875	13.6
235.08133	4.3
243.05624	3.7
253.09386	5.1
285.24130	3.5
300.99796	5.0
397.13501	14.4
461.19998	6.5
607.37299	4.3
635.30347	9.5
653.32233	14.5
671.32861	10.5
672.33447	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	763.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	1.2
62.46037	1.0
63.96106	2.2
69.03300	1.4
71.01261	9.0
71.54337	1.2
73.02804	2.3
74.53819	1.1
75.60177	1.3
76.87591	1.0
78.98453	7.7
79.95608	14.1
80.96392	88.9
82.28413	1.1
85.02824	3.9
87.00756	3.1
94.97962	21.8
97.02789	2.7
97.80196	1.2
98.19815	3.8
101.02318	4.1
106.97958	4.0
120.69935	1.0
122.97462	4.5
125.02335	2.5
126.97778	1.2
134.21396	1.4
134.97470	5.5
142.91167	1.1
148.99057	6.4
149.33862	1.0
152.98546	8.3
164.98550	12.2
200.24306	1.2
206.99623	2.6
225.00711	21.7
255.23303	2.8
507.15378	2.8
718.31610	1.3
763.39417	100.0
764.39819	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	763.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77138	0.5
59.01253	1.7
60.99177	18.3
61.98702	21.5
71.01238	1.2
72.86245	0.4
72.99183	2.7
75.00759	2.5
78.95761	0.5
79.48219	0.5
83.04889	0.7
87.00754	1.3
88.00270	0.5
88.08652	0.5
88.98679	100.0
89.02307	2.9
89.99000	1.2
96.95895	1.1
101.02316	0.5
106.81619	0.5
113.02268	0.5
123.76684	0.7
125.02332	1.8
129.09093	0.6
148.95850	0.5
169.01355	1.4
171.10178	2.2
197.11771	4.7
209.11778	7.3
211.13364	5.2
227.12758	0.7
229.13618	0.5
253.09335	0.8
273.17136	2.0
301.00000	0.8
377.13535	0.6
397.13660	0.9
538.89551	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04343	0.1
59.01259	0.4
60.99177	18.1
61.98702	0.2
66.42771	0.2
71.01253	0.2
71.57960	0.2
87.00759	1.1
88.00285	1.0
88.98678	100.0
89.02312	3.1
89.99003	0.8
101.02312	0.2
105.90920	0.1
108.05423	0.1
125.02336	0.3
136.33057	0.1
171.10205	0.6
209.11772	2.7
210.12125	0.3
211.13345	0.8
227.12909	0.4
253.09354	0.2
397.13748	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77138	0.5
59.01253	1.7
60.99177	18.3
61.98702	21.5
71.01238	1.2
72.86245	0.4
72.99183	2.7
75.00759	2.5
78.95761	0.5
79.48219	0.5
83.04889	0.7
87.00754	1.3
88.00270	0.5
88.08652	0.5
88.98679	100.0
89.02307	2.9
89.99000	1.2
96.95895	1.1
101.02316	0.5
106.81619	0.5
113.02268	0.5
123.76684	0.7
125.02332	1.8
129.09093	0.6
148.95850	0.5
169.01355	1.4
171.10178	2.2
197.11771	4.7
209.11778	7.3
211.13364	5.2
227.12758	0.7
229.13618	0.5
253.09335	0.8
273.17136	2.0
301.00000	0.8
377.13535	0.6
397.13660	0.9
538.89551	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15971	13.1
59.01233	11.1
61.98703	62.4
68.96040	10.2
70.08887	54.6
100.36707	9.5
145.72038	11.9
154.46722	11.6
185.11749	29.8
211.13414	31.3
277.21686	100.0
419.79636	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	761.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
61.45200	17.3
61.98705	23.0
71.57244	27.6
73.46462	22.9
76.29066	19.9
86.92770	22.0
102.27331	23.2
109.20825	22.2
124.78634	22.3
131.79750	22.3
185.11761	72.3
209.11855	27.5
211.13309	77.4
222.27425	22.0
247.09627	23.4
276.38614	21.4
277.21585	100.0
447.38855	24.8
511.18164	20.1
686.18726	22.5
761.40540	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	761.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98710	16.9
59.01240	15.6
61.41742	15.3
61.98670	37.8
68.46182	15.5
71.01250	75.5
80.96368	20.9
94.16856	15.9
97.04766	15.9
98.20561	46.2
164.98534	22.0
171.10210	54.7
182.65611	18.2
194.89746	16.6
209.11787	25.6
224.54498	17.3
229.40492	26.8
253.09184	19.2
277.21719	29.5
279.23212	34.4
281.24826	100.0
583.45319	18.9
592.73132	18.8
770.53436	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.85610	1.3
63.77936	1.1
63.96080	2.2
65.04998	1.2
69.03317	1.2
71.01255	10.2
73.02822	2.1
78.95741	1.7
78.98479	7.9
79.95608	15.3
80.96394	100.0
81.03331	1.5
85.02822	3.1
87.00755	4.4
94.97964	22.6
96.95899	1.3
97.02817	1.7
101.02344	3.1
106.97983	4.4
112.57189	1.2
122.97459	3.7
125.02337	4.4
134.97487	7.1
148.99065	6.8
152.98534	8.3
162.41840	1.1
164.98569	15.0
206.99651	3.2
223.13376	1.7
225.00687	22.0
255.23294	2.3
505.17496	2.2
761.41498	86.9
762.41870	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	761.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	4.0
63.02252	1.5
65.00187	2.1
70.18225	1.4
71.01246	4.0
71.57822	2.6
72.99187	1.2
81.03340	1.3
83.01241	1.9
84.91399	1.3
85.02818	2.2
89.02331	1.6
107.01270	6.8
109.02841	2.2
111.00776	2.7
120.68279	1.3
121.02826	1.9
123.00759	5.9
125.01453	1.7
125.02348	32.2
126.02631	1.4
139.00256	2.7
140.00996	3.3
148.01620	1.9
149.02403	2.0
151.00298	18.7
163.00262	4.4
166.99768	1.9
168.99974	2.8
169.01355	37.2
170.01561	1.5
177.01776	1.4
178.99783	12.7
179.03342	1.7
187.04001	2.2
188.04813	1.7
209.00865	1.9
211.02330	2.0
215.03600	1.4
227.03368	4.1
229.01450	1.8
243.02954	14.2
245.01015	1.3
245.04631	1.4
247.02202	1.4
254.02075	2.3
255.02982	31.4
271.02487	67.2
272.02945	7.6
273.00339	2.1
298.98727	1.6
299.01978	3.4
299.99368	3.9
300.02728	100.0
300.99896	7.8
301.03439	33.7
302.00171	1.5
302.03455	3.0
343.04498	2.8
429.08240	1.9
459.11597	12.2
460.12079	1.4
588.48230	1.5
609.14594	14.5
632.06653	2.8
729.12787	1.9
761.15692	95.5
762.15942	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	761.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.6
60.99179	19.5
61.98684	0.5
71.01248	0.9
72.99211	0.5
87.00773	2.1
88.00284	1.4
88.98679	100.0
89.02318	4.2
89.99027	0.7
96.84075	0.4
96.95876	0.7
99.60846	0.4
116.92760	0.6
123.55441	0.3
125.02383	0.5
155.07043	0.5
171.10226	0.4
201.11235	2.3
208.18660	0.4
209.11755	3.0
211.13316	1.5
227.12654	0.5
253.09122	0.6
271.09772	0.4
296.60684	0.4
340.19846	0.5
341.23166	1.1
682.69073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.157
Annotation	Quercetin 3-(2''-galoylrutinoside)
Peak:m/z	Relative Intensity
61.08865	0.6
63.02266	3.3
65.00201	5.8
73.68996	0.6
83.01254	3.6
93.03345	0.9
98.19810	1.9
103.79977	0.5
103.99780	0.5
107.01283	10.0
109.02829	2.7
121.02842	8.6
122.61988	0.6
125.02322	1.3
130.81384	0.6
139.03944	0.8
149.02394	1.0
151.00282	36.8
152.00562	1.3
163.00258	2.8
164.00929	0.7
169.01335	4.1
178.99789	14.4
187.03847	0.8
193.01381	1.2
201.05527	0.9
203.03435	1.0
211.03979	1.0
227.03461	0.7
229.04961	1.5
243.02919	0.7
245.04436	2.0
255.02966	3.5
256.03372	0.7
271.02444	1.7
273.04056	2.3
283.02350	0.7
300.02756	3.1
301.03525	100.0
302.03836	6.1
334.53873	0.7
404.78741	0.7
459.11584	2.7
539.30054	0.6
609.14758	1.6
761.15369	4.5
762.15686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.1
59.01241	3.5
63.02270	1.2
69.03331	1.0
69.51313	3.5
69.51736	2.6
71.01251	7.6
73.02823	1.2
81.03291	0.8
83.01284	1.4
85.02825	2.4
87.00767	1.4
90.06518	0.7
93.03333	1.0
95.01237	1.9
95.04861	0.8
96.95879	2.0
97.02831	2.2
101.02319	2.7
107.01301	4.9
107.04932	1.3
109.02811	2.5
111.00782	1.1
113.02331	2.1
119.03415	0.7
121.39899	0.7
123.00782	6.4
123.04446	1.1
125.02333	31.3
125.03246	1.6
132.02075	0.9
132.76936	0.8
133.02843	18.1
134.03622	3.3
134.06009	1.2
135.04413	64.6
135.79958	0.8
136.04744	2.4
137.02328	1.7
139.00267	1.2
145.02838	1.1
148.03949	1.3
148.05180	1.0
149.02321	0.9
149.05975	1.6
151.00256	4.0
159.04431	2.1
161.02350	50.8
162.02699	1.3
163.00302	1.6
163.60461	0.8
165.01825	1.4
168.00548	2.0
169.01340	60.6
169.06371	1.2
170.01663	1.6
175.03978	1.3
177.01851	1.4
177.05486	4.9
178.02570	0.9
179.03416	75.3
180.03761	2.6
185.06030	1.9
187.03918	1.2
189.05536	1.2
191.03433	1.9
193.01477	1.9
195.02927	1.2
203.03462	3.7
205.01274	0.8
205.05008	1.1
209.11787	0.8
211.02309	1.9
213.05464	1.4
221.04451	6.4
227.03499	1.4
229.05020	2.7
233.04497	4.3
235.02510	1.9
245.04399	0.9
251.05545	6.2
255.02979	2.6
257.04538	2.3
263.05704	1.3
274.01108	1.1
279.08020	1.1
283.02701	1.0
284.03241	2.4
285.04037	22.4
286.04285	0.8
295.10867	1.3
299.99231	1.5
300.99857	3.0
301.03262	1.7
305.06711	6.7
313.05692	5.5
323.07703	39.4
324.08047	2.0
397.05411	1.4
429.08154	1.7
475.08801	100.0
476.09250	10.3
559.11932	1.0
609.12427	2.9
632.06592	2.3
729.12152	1.2
761.15082	4.6
761.28827	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	761.134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.9
63.02267	2.4
65.00201	5.0
69.03395	0.4
71.01249	0.9
71.07079	0.5
71.07419	0.8
79.01737	0.3
83.01272	3.3
85.02834	0.6
87.86106	0.3
88.98695	0.4
93.03364	1.8
95.01259	0.7
96.95902	0.7
101.02338	0.6
106.06510	0.5
107.00525	0.6
107.01268	10.1
109.02865	1.9
111.00807	0.5
113.02345	0.5
117.03378	0.5
119.04928	2.2
121.02842	7.9
122.05997	0.6
123.00766	1.6
124.01569	0.7
125.02348	5.3
134.06082	0.6
135.00743	0.4
135.04420	0.4
137.02318	0.5
139.00258	0.4
139.03925	1.1
140.01180	0.4
145.02858	2.7
147.04446	0.6
148.01596	0.4
149.02348	1.3
151.00279	32.3
151.41026	0.4
152.00563	0.9
155.03738	0.5
159.04372	0.8
161.02344	1.1
163.00307	2.4
163.03934	2.7
164.01094	0.8
165.01784	0.7
168.00475	0.4
169.01350	9.9
175.03964	0.5
177.01828	0.5
178.99786	14.1
179.03384	0.4
180.00198	0.8
183.04480	0.6
187.04012	0.7
192.11948	0.5
193.01340	1.3
198.43314	0.4
199.03996	0.6
201.05519	0.8
203.03481	0.8
205.05035	0.5
211.03969	0.8
227.03471	1.4
229.04965	1.3
243.02968	1.2
245.04498	1.7
247.02507	0.4
255.02937	2.8
256.03525	0.6
257.04501	0.9
267.02750	0.5
271.02396	3.1
272.02960	0.8
273.00510	0.6
273.03998	2.0
279.07513	0.4
283.02438	1.1
284.03156	0.6
285.04184	0.6
295.10733	0.6
299.99432	0.7
300.02707	4.5
301.03525	100.0
302.03943	6.0
313.05789	1.1
327.08743	0.8
343.08105	0.5
345.25479	0.4
357.34848	0.4
359.11246	0.5
369.05908	0.6
371.07697	0.9
397.05637	0.7
401.08731	0.5
403.10223	0.7
429.08151	3.0
433.07800	0.9
447.09171	1.0
459.09354	8.6
460.09760	0.9
463.09036	0.8
475.17160	0.5
550.62518	0.4
569.32483	0.5
609.12354	2.4
686.78668	0.4
729.13452	2.2
730.13025	0.5
761.14557	3.4
761.27643	0.5
762.14539	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.0
60.99172	1.1
61.98685	1.1
63.02259	2.5
63.23944	0.5
63.82492	0.5
65.00193	5.1
67.07687	0.5
70.72481	0.5
71.01254	3.9
71.58594	0.9
72.42903	0.5
73.02805	0.6
78.95813	0.6
83.01263	3.9
83.74281	0.5
85.02818	0.9
87.00758	1.3
88.98692	3.1
89.02305	1.8
89.26141	0.7
92.05330	0.5
93.03339	1.9
95.01260	1.5
96.95892	2.7
101.02332	2.0
107.01267	12.1
109.02819	2.2
111.00755	0.7
113.02304	1.2
117.03323	0.8
117.63688	0.6
117.82790	0.5
119.03458	0.7
119.04897	2.5
121.02849	9.5
123.00782	3.0
125.02334	9.9
131.66670	0.5
133.02844	1.9
134.03636	0.8
135.04416	4.1
136.01564	0.9
139.00285	0.7
145.02888	2.9
147.00746	0.8
149.02347	1.6
151.00278	34.5
151.03922	1.1
159.04442	1.2
161.02367	4.2
161.04391	1.1
163.00282	1.2
163.03918	4.1
164.01057	1.2
165.01910	0.5
165.05496	1.4
166.99692	0.7
167.03380	0.6
168.00546	0.6
169.01347	19.6
169.02788	1.1
170.01694	0.6
171.10149	1.1
174.03145	0.6
175.03891	1.4
177.01674	0.7
177.05482	0.8
178.99792	15.4
179.03392	4.0
183.04527	0.7
187.03922	0.7
192.00534	1.0
193.01344	1.5
195.06589	0.6
195.57336	0.6
201.05545	0.7
203.03439	0.7
209.11806	1.7
211.04027	1.4
227.03516	1.0
229.04955	1.4
233.59067	0.6
243.02870	0.6
245.04520	1.6
255.02982	3.5
271.02393	3.2
272.03116	0.7
273.04071	2.0
275.02103	0.6
283.02539	0.8
285.04034	2.3
299.99652	0.9
300.02655	4.2
301.03525	100.0
302.03830	6.9
313.05740	0.9
323.07785	1.9
371.24484	1.5
373.26025	0.8
388.14725	0.7
389.25574	1.0
459.09186	10.1
460.09647	0.7
463.09442	0.6
475.08774	6.1
476.09641	0.7
601.69855	0.6
609.12701	1.4
761.14691	2.4
761.29388	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19708	0.4
59.01241	1.1
69.03330	0.7
69.32480	4.2
71.01252	2.2
71.29755	0.5
72.99171	0.4
73.02831	0.6
78.50961	0.5
83.01237	0.6
83.02393	0.5
85.02827	1.2
87.00751	0.9
89.02261	0.5
93.03325	0.7
93.98010	0.4
95.01268	1.2
96.95875	1.1
97.02837	1.0
99.00782	0.6
101.02330	1.6
107.01283	2.3
107.04896	0.6
109.02846	1.2
111.00758	1.6
113.02326	2.0
113.43945	0.5
117.03422	0.6
121.02836	0.8
123.00774	5.5
124.01572	0.6
125.02337	13.6
126.02652	0.6
132.02078	0.9
133.02859	11.5
134.03618	1.8
135.04419	27.9
136.04764	0.7
137.02347	1.4
139.00287	1.3
140.01105	1.0
147.04407	0.7
148.05228	0.4
149.06000	0.8
150.03122	1.3
151.00279	2.4
151.03851	0.5
153.01828	0.8
159.04414	0.5
161.02356	51.7
161.05962	1.5
162.02747	1.6
163.00258	0.5
165.01880	0.8
165.05507	0.8
166.02589	0.5
168.00545	1.8
168.30562	0.4
169.01344	18.2
169.02800	1.0
170.01663	0.5
175.03923	1.3
177.01842	0.6
177.05473	2.1
179.03423	23.8
187.03957	1.0
189.05539	0.7
191.03389	0.7
193.01338	1.1
193.05013	0.7
195.06583	0.6
203.03442	1.1
205.01451	0.7
205.05002	0.6
211.02271	2.2
213.05518	0.6
221.04556	1.5
227.03502	0.7
229.04967	0.8
233.04507	1.1
251.05644	1.4
255.02922	1.2
263.05621	2.8
265.81790	0.5
270.99017	0.7
274.01163	1.1
275.01999	0.6
284.03137	0.9
285.04037	7.8
298.98154	1.0
299.99036	1.0
300.02448	0.7
300.99875	3.5
301.03455	1.3
301.99911	0.6
305.06665	1.8
313.05646	3.9
314.05911	0.6
323.07718	27.1
324.08038	2.2
359.15265	0.8
429.08417	1.2
475.08826	100.0
476.09198	10.2
609.12640	2.1
632.06140	1.1
645.33783	0.5
729.13770	1.3
761.15436	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	761.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19708	0.4
59.01241	1.1
69.03330	0.7
69.32480	4.2
71.01252	2.2
71.29755	0.5
72.99171	0.4
73.02831	0.6
78.50961	0.5
83.01237	0.6
83.02393	0.5
85.02827	1.2
87.00751	0.9
89.02261	0.5
93.03325	0.7
93.98010	0.4
95.01268	1.2
96.95875	1.1
97.02837	1.0
99.00782	0.6
101.02330	1.6
107.01283	2.3
107.04896	0.6
109.02846	1.2
111.00758	1.6
113.02326	2.0
113.43945	0.5
117.03422	0.6
121.02836	0.8
123.00774	5.5
124.01572	0.6
125.02337	13.6
126.02652	0.6
132.02078	0.9
133.02859	11.5
134.03618	1.8
135.04419	27.9
136.04764	0.7
137.02347	1.4
139.00287	1.3
140.01105	1.0
147.04407	0.7
148.05228	0.4
149.06000	0.8
150.03122	1.3
151.00279	2.4
151.03851	0.5
153.01828	0.8
159.04414	0.5
161.02356	51.7
161.05962	1.5
162.02747	1.6
163.00258	0.5
165.01880	0.8
165.05507	0.8
166.02589	0.5
168.00545	1.8
168.30562	0.4
169.01344	18.2
169.02800	1.0
170.01663	0.5
175.03923	1.3
177.01842	0.6
177.05473	2.1
179.03423	23.8
187.03957	1.0
189.05539	0.7
191.03389	0.7
193.01338	1.1
193.05013	0.7
195.06583	0.6
203.03442	1.1
205.01451	0.7
205.05002	0.6
211.02271	2.2
213.05518	0.6
221.04556	1.5
227.03502	0.7
229.04967	0.8
233.04507	1.1
251.05644	1.4
255.02922	1.2
263.05621	2.8
265.81790	0.5
270.99017	0.7
274.01163	1.1
275.01999	0.6
284.03137	0.9
285.04037	7.8
298.98154	1.0
299.99036	1.0
300.02448	0.7
300.99875	3.5
301.03455	1.3
301.99911	0.6
305.06665	1.8
313.05646	3.9
314.05911	0.6
323.07718	27.1
324.08038	2.2
359.15265	0.8
429.08417	1.2
475.08826	100.0
476.09198	10.2
609.12640	2.1
632.06140	1.1
645.33783	0.5
729.13770	1.3
761.15436	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	760.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	16.2
59.78942	2.1
61.98707	5.4
66.95800	3.2
68.14251	2.5
71.01253	17.3
71.56617	2.7
71.57023	4.7
72.99192	3.9
73.02832	4.2
82.95288	100.0
83.02374	38.0
84.00780	81.2
84.01907	8.2
84.82952	2.4
84.94991	46.5
85.00343	3.8
85.02814	3.6
87.00762	7.4
89.02297	14.1
101.02325	12.0
112.72580	2.2
113.02338	6.1
119.03350	5.1
124.01563	2.1
125.02361	8.6
132.46118	2.2
133.04900	2.2
143.03413	2.7
161.04520	3.0
179.05547	2.8
235.08177	4.5
253.09422	2.6
253.74707	2.3
277.21698	41.8
278.21863	4.4
279.43243	2.4
397.13486	45.4
398.13644	4.7
415.14603	17.0
700.34021	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	759.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78468	0.6
59.01242	1.5
60.99181	18.7
61.98700	2.1
69.15208	0.5
71.01247	1.5
75.00737	0.7
75.66378	0.5
82.76192	0.6
82.95296	1.4
87.00773	1.5
87.94216	0.6
88.00286	1.2
88.98682	100.0
89.02316	3.7
89.99018	0.8
96.95899	1.4
98.19691	1.5
101.02288	1.1
113.02344	0.8
116.92731	1.0
123.00790	0.5
125.02340	0.8
145.76476	0.6
169.01337	1.7
189.13789	0.5
197.11786	0.9
207.10208	1.1
209.11780	1.8
211.13387	3.1
230.10014	0.8
284.39426	0.6
327.21613	0.7
391.12000	0.7
759.20898	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05721	12.2
60.06021	11.8
61.08021	9.7
71.01245	37.0
71.13145	11.1
71.13499	26.6
72.66167	10.0
78.95766	23.2
95.00430	9.4
113.53867	10.8
126.10342	11.2
171.10176	30.6
181.96817	10.2
199.13379	15.7
207.10107	15.4
209.11739	71.3
227.12872	63.4
253.09277	27.1
253.21674	37.5
255.23340	12.9
277.21744	100.0
279.23257	29.0
330.41443	11.6
331.15640	11.8
418.42828	11.4
463.22125	18.7
664.19684	11.3
723.43274	18.4
768.78009	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	759.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59604	19.7
61.98703	29.0
63.72732	17.5
70.33573	21.8
72.02301	20.6
73.44572	17.9
74.31326	19.0
77.74097	18.7
78.95758	32.2
83.04691	20.4
98.19824	68.3
99.78682	19.0
103.68285	21.7
152.99504	31.1
211.13344	100.0
287.28101	23.4
293.21237	75.3
524.52863	20.5
710.68781	23.7
759.43109	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00179	0.7
57.03311	0.7
59.01253	10.1
59.01540	1.1
63.94576	0.5
71.01255	75.9
71.14729	0.8
71.15057	1.0
72.01582	1.0
73.02826	1.6
78.95762	1.2
85.02837	2.1
87.00756	2.6
89.02328	2.3
90.26939	0.6
97.02843	1.7
99.00765	1.5
101.02325	4.8
101.92005	0.5
109.06481	3.7
113.02336	2.3
119.03377	0.8
125.09610	2.2
127.11166	1.5
129.87875	0.5
145.05011	1.0
152.99376	0.7
153.09067	0.7
161.04451	2.0
161.09700	0.7
163.11168	2.4
169.12263	0.8
171.10181	41.6
172.10530	2.4
179.05559	0.7
181.08592	1.4
181.12270	2.3
192.05911	0.6
199.09686	9.4
199.13324	1.9
201.11249	9.9
207.10187	12.1
208.10495	1.0
209.11629	0.8
225.11314	9.0
235.08162	4.9
243.12347	1.5
253.09288	9.7
254.09775	0.8
275.20419	0.6
277.21716	100.0
278.22089	9.0
443.19022	1.1
461.20297	1.8
477.54303	0.7
571.49756	0.7
685.06750	0.6
721.41406	2.9
722.42743	1.2
739.42340	2.1
757.43591	11.4
758.43835	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00175	1.1
58.00442	0.7
59.01246	8.0
61.54094	0.7
71.01254	100.0
72.01598	2.1
73.02816	1.6
77.27248	0.6
78.95749	0.7
82.11224	0.6
83.01247	0.8
85.02827	1.4
87.00771	1.8
89.02340	2.4
95.01239	0.6
97.02857	1.5
98.19744	1.4
99.00766	1.4
101.02328	3.8
109.06516	3.1
113.02305	2.2
119.03403	0.8
125.09600	1.2
127.11172	2.0
137.09601	0.7
145.04979	0.9
155.10698	0.9
161.04544	1.7
163.11182	2.1
171.10178	64.6
172.10545	3.5
179.05487	0.8
181.12242	1.0
189.09082	1.0
199.09669	8.0
199.13316	1.4
201.11250	10.2
203.18336	0.8
207.10202	12.6
225.11259	7.9
226.11609	0.9
235.08167	3.9
243.12473	1.4
253.09262	9.0
265.21808	0.7
277.21725	89.0
278.22052	8.9
284.68481	0.7
326.84665	0.7
409.64233	0.7
461.20313	2.6
684.33319	0.8
721.41919	2.2
722.41754	0.8
739.42957	1.3
757.43646	9.2
758.44293	1.7
760.27332	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00189	0.9
59.01255	16.5
61.98698	0.8
66.55886	1.0
71.01255	94.1
72.01595	1.3
73.02814	2.8
78.95782	2.7
83.01264	1.4
83.04910	1.5
85.02819	2.2
87.00735	1.8
89.02332	4.1
97.02836	1.5
97.06422	1.1
99.00764	2.7
101.02316	4.4
104.54279	0.9
109.06486	8.7
113.02322	3.8
119.03388	1.1
121.06528	1.4
125.09583	4.8
127.11176	4.4
142.02638	1.2
153.09106	1.7
155.10710	1.8
161.04503	2.0
163.11252	4.8
165.09038	1.1
171.10181	100.0
172.10526	3.6
179.05571	1.1
181.08609	1.7
181.12341	2.2
199.09689	21.9
199.13338	4.4
200.09996	1.1
201.11258	26.7
202.11591	1.4
207.10214	27.4
209.11829	1.4
225.11256	18.4
229.83830	1.1
235.08156	2.8
243.12314	2.8
253.09262	13.4
277.21722	77.1
278.22055	6.1
417.18076	0.9
435.18677	2.9
443.19540	1.0
461.20432	6.4
474.52371	1.2
479.21573	1.6
536.41113	0.9
658.12122	1.0
721.41553	3.5
739.43567	2.2
757.43884	17.8
758.44391	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	757.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	35.6
61.98683	2.2
69.35035	4.5
69.35434	16.1
71.01240	8.2
78.12595	1.8
78.95388	2.3
78.95773	14.7
82.62341	1.8
87.00759	2.4
89.02306	3.4
96.95921	2.8
97.02853	2.3
99.00752	6.7
99.01405	2.0
101.02306	6.8
113.02335	2.6
125.09619	4.6
127.11160	7.6
152.99493	9.0
161.04408	3.6
163.11156	3.3
165.09143	3.8
165.98616	2.2
171.10123	4.1
181.12253	9.7
183.10153	3.7
199.09785	2.7
199.13335	14.3
201.11253	100.0
202.11681	4.9
207.10295	17.3
209.11761	2.9
217.14336	3.0
225.11293	29.1
227.12892	2.8
243.12392	8.3
253.09222	10.5
277.21735	49.6
278.22043	5.5
368.96194	2.2
437.20181	2.6
461.20514	7.0
497.05099	2.0
501.05978	2.3
721.41516	3.1
739.42975	11.5
740.41943	3.5
757.43787	99.7
758.44232	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	757.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18640	0.9
59.01246	14.4
69.28672	10.1
71.01258	100.0
72.01593	1.6
73.02814	3.0
78.95780	1.9
85.02837	2.2
86.13521	0.8
87.00735	2.5
89.02317	3.2
95.04201	1.0
97.02841	2.6
98.20528	1.7
99.00774	1.9
101.02299	4.4
109.06489	7.3
111.40852	0.8
113.02321	3.2
119.03409	2.3
125.09614	2.9
127.11192	3.1
135.08046	1.1
137.09566	1.4
143.03421	1.5
143.10684	1.3
153.09114	1.3
155.10674	1.6
161.04491	1.3
162.65588	0.9
163.11195	4.6
165.09053	1.1
171.10191	94.5
172.10544	4.6
179.05492	1.4
181.12247	3.7
183.10196	1.0
199.09714	19.8
199.13345	3.5
201.11269	26.5
202.11685	1.6
207.08345	1.9
207.10214	26.7
208.10533	2.2
209.11642	1.2
222.09229	0.9
223.02135	0.8
225.11320	19.4
226.11589	1.3
235.08211	2.5
243.12364	2.8
244.02475	1.0
253.09305	13.5
277.21747	75.9
278.22141	6.4
334.82675	0.9
410.41159	1.0
435.18683	2.7
441.29913	1.1
443.19141	1.9
461.20047	5.4
721.42236	3.7
739.42517	2.1
757.44080	13.7
758.44318	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	757.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73273	1.8
59.01250	36.5
71.01255	7.4
71.57136	3.5
78.95775	7.5
85.02800	2.8
87.00737	6.7
89.02306	3.9
99.00793	4.8
101.02334	5.2
117.63277	1.9
125.02312	3.8
125.09630	4.7
127.11204	4.3
147.47714	2.1
152.99483	2.8
163.11246	4.1
165.09012	2.8
169.01387	2.3
171.10201	5.0
181.12292	5.3
198.08940	1.9
199.13371	9.1
201.11258	52.3
207.10208	10.6
225.11256	18.5
235.08247	5.6
243.12340	5.4
253.09270	8.6
277.21729	100.0
278.22073	8.0
293.21198	2.9
460.86893	2.4
479.45718	2.0
638.01404	2.2
721.41876	3.6
739.42743	13.9
757.43768	99.0
758.44006	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	757.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.1
59.01253	8.1
61.98708	2.1
71.01263	5.3
71.56760	1.4
80.02564	1.7
82.95289	4.0
83.01228	0.8
83.02350	1.1
83.04903	5.9
85.02836	1.2
87.00744	1.8
89.02309	3.7
95.04920	1.5
96.95897	3.2
101.02330	6.0
113.02325	1.4
113.09601	1.5
125.02316	2.3
129.09100	2.8
147.02635	1.2
151.11160	2.0
161.04420	2.1
163.11206	3.6
165.12767	2.7
169.01320	2.8
169.12231	5.4
171.10213	3.2
179.10661	1.2
181.12267	3.8
181.87317	1.0
183.13884	1.7
185.11890	1.3
189.62216	0.9
197.11768	7.2
199.13344	2.9
207.10049	1.3
209.11775	100.0
210.12108	9.2
211.13379	13.1
212.13754	1.7
227.12846	13.2
228.13104	1.4
235.08162	3.7
253.09224	20.0
254.09760	1.7
273.12848	1.0
289.79611	1.3
291.19534	1.6
293.21280	7.7
295.22586	2.9
300.99850	1.9
309.20758	2.4
310.20712	1.3
311.22275	73.9
312.22604	6.8
367.84549	1.1
463.41489	1.1
468.16190	1.0
483.68564	1.1
757.43018	2.3
758.42126	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.7
59.01255	8.3
61.98701	2.9
69.03332	1.5
71.01255	7.0
73.02827	1.3
82.95289	3.2
83.01257	1.0
83.04906	1.7
85.02825	5.7
87.00720	1.1
88.98655	0.9
89.02301	4.7
95.01227	0.7
96.95904	8.6
96.96861	1.0
97.02832	1.0
97.06482	2.7
98.95468	1.0
99.00774	0.9
101.02341	3.1
113.02342	2.7
125.02350	1.7
125.09606	1.1
127.11159	1.0
132.67114	0.7
137.09549	0.8
143.03430	1.3
145.04831	0.8
155.10689	1.0
161.04405	1.8
165.12769	1.8
169.01279	2.9
171.10170	12.8
172.10487	1.3
179.05594	1.2
183.13817	7.4
185.11765	2.0
193.12268	1.7
197.11731	2.5
200.13713	0.9
209.11771	10.8
210.12132	3.3
211.13342	100.0
212.13686	7.1
213.11241	0.9
221.11772	2.9
227.12851	2.5
228.13135	1.1
229.14388	9.0
235.08209	8.6
239.12772	1.3
251.16556	1.3
253.09258	24.6
253.21703	1.2
254.09583	1.8
291.19791	6.5
292.19937	1.6
301.00006	1.3
301.27005	0.8
309.20700	14.8
310.21082	2.0
311.21976	1.1
327.21753	71.0
328.22061	7.3
341.23196	1.4
431.18909	0.8
447.22498	3.9
521.25360	3.9
521.34760	2.1
545.29761	1.7
546.29144	0.8
563.30524	3.2
757.46045	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	757.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	18.2
61.98702	23.5
67.63097	4.5
71.01260	19.5
73.02831	6.9
78.95798	6.8
82.95302	14.8
83.02380	7.8
83.04892	4.8
85.02867	6.5
87.00740	23.1
88.98694	13.3
89.02319	10.9
96.95887	100.0
96.96833	9.5
98.95466	38.1
98.96378	5.6
99.00786	7.5
101.02311	7.8
116.92745	5.8
125.02357	7.8
137.39653	5.7
149.91959	5.3
151.11110	6.6
167.01108	5.2
167.74933	5.4
169.01326	13.4
169.12233	9.0
171.10202	12.2
183.13866	7.1
197.11797	14.3
209.11783	62.4
210.12112	9.7
211.13370	87.9
216.02400	4.9
219.43292	4.7
225.11264	5.9
227.12856	7.5
229.25020	6.4
253.09264	17.1
268.92984	5.2
291.19534	5.2
300.99866	9.9
309.20920	10.7
327.21756	37.2
447.22403	7.6
659.33044	15.0
695.03760	5.6
757.38025	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	757.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	56.2
62.32375	17.6
63.27903	19.7
78.95773	63.3
80.96436	19.8
98.20652	40.1
143.65660	21.1
152.99466	35.9
207.10182	48.7
225.11346	50.1
248.03694	25.0
277.21710	100.0
289.57047	20.8
403.07019	19.4
461.20306	28.3
614.36975	21.9
721.41809	46.7
744.37384	27.2
757.38953	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95492	1.6
59.01247	8.5
60.99183	1.6
61.69367	1.4
61.98711	12.3
70.95401	1.5
71.01254	16.0
71.57668	2.0
72.99187	1.8
80.02545	1.4
80.91563	1.8
81.03341	3.0
82.95290	17.2
83.02375	12.4
83.04916	7.3
87.00744	2.3
88.98697	4.0
89.02312	2.8
95.01267	2.1
96.95892	19.2
97.02827	2.5
99.00755	2.4
101.02318	5.3
109.06483	13.6
110.63979	1.4
113.02331	2.8
123.00784	1.8
125.02334	2.9
130.27710	1.4
135.08109	2.8
136.05174	2.2
161.04575	1.7
163.11195	12.3
165.05440	1.6
165.41925	1.5
169.01323	3.7
171.10173	6.0
181.12254	5.2
185.11749	2.5
188.29453	1.4
199.09645	2.0
207.10217	44.2
208.10532	3.8
209.11777	100.0
210.12128	6.9
225.11267	28.4
227.12880	15.5
231.10164	2.1
235.08153	4.8
243.12404	2.2
253.09157	10.4
300.99936	3.1
338.71475	1.6
397.43817	1.9
399.21918	2.5
443.19226	1.8
461.20258	10.0
479.21637	1.8
506.11124	1.8
538.43689	1.7
635.30627	4.1
653.31396	4.0
671.32916	10.2
672.33417	3.1
689.33453	1.8
742.68665	1.6
757.31256	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	756.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63625	0.8
59.01263	4.0
61.98709	0.9
67.01765	1.5
68.99706	1.1
69.03335	2.3
69.95066	0.8
71.01260	5.8
71.58320	0.8
71.58665	1.3
72.11003	1.0
72.99165	1.2
74.06631	0.8
78.95757	1.5
79.01768	1.7
79.95609	1.4
80.96387	4.4
81.03337	0.9
83.00011	0.9
83.01247	2.0
85.02834	1.3
87.00775	1.3
89.02352	1.1
93.03346	2.3
94.97975	1.8
95.01263	6.2
96.95899	7.0
97.02837	2.5
101.02328	2.1
106.25738	0.9
107.01277	8.9
108.02085	5.7
108.49431	0.8
109.02888	1.4
111.00793	4.5
111.24594	0.8
113.02321	2.3
117.74052	0.9
121.02824	1.5
123.00774	21.0
123.04356	1.2
124.01541	3.4
125.02345	80.7
126.02702	2.9
133.02888	1.0
135.04364	1.1
136.98712	2.1
137.02380	2.4
138.01865	16.1
139.00316	4.9
140.01044	5.2
141.01877	2.2
141.42461	0.9
143.03436	1.1
145.02744	1.0
149.02310	1.5
150.03152	0.8
151.00296	6.6
151.03891	1.4
153.01837	1.3
161.02354	3.1
161.04361	1.1
163.00172	0.9
163.03906	1.3
164.98569	1.0
165.01761	1.4
166.99817	5.9
167.03397	1.6
168.00571	8.7
169.01347	100.0
170.01671	3.0
173.02391	1.0
175.03925	1.6
177.01817	1.5
178.99792	1.0
179.03398	6.9
187.04018	1.1
189.01750	1.3
190.02722	1.3
191.03436	2.8
193.01349	3.5
203.03621	1.0
205.01378	1.1
207.02879	3.2
211.02364	7.2
215.03519	1.7
221.00894	2.8
221.04471	2.1
223.02669	0.9
225.00775	1.9
230.01981	0.8
233.04445	1.5
235.02435	3.4
241.03572	1.5
249.03949	1.1
251.05516	1.9
255.02917	1.1
271.02304	1.3
275.01877	1.6
277.03528	1.7
279.05203	2.5
285.04025	1.6
295.04578	9.1
299.99280	1.3
301.00266	4.9
301.03522	4.7
302.00369	1.2
302.03897	1.4
313.02286	1.6
313.05701	18.2
403.06577	3.4
421.07596	1.8
447.05682	11.2
449.07257	2.5
465.06757	31.5
466.07300	1.6
573.08789	5.2
586.08331	4.9
590.39484	1.0
604.09290	6.5
617.07825	53.4
618.07947	6.4
755.31854	3.0
756.10223	18.7
756.31946	2.9
757.11609	3.6
767.53613	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	4.0
69.61787	2.2
69.62186	5.9
70.58253	1.3
71.01237	4.8
73.02818	1.3
78.95754	2.1
83.04888	3.7
87.00730	1.3
89.02334	1.8
98.19794	2.3
101.02320	3.3
112.53472	1.2
113.02355	1.8
117.99998	1.1
152.99442	1.4
161.04501	2.1
163.11212	3.4
165.12730	2.9
209.11778	95.8
210.12050	6.8
227.12808	9.9
235.08176	5.5
253.09305	8.4
259.15500	2.2
277.21744	100.0
278.22046	9.9
462.31888	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	755.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01776	1.5
57.03314	2.7
58.00465	3.5
59.01254	23.5
63.21941	1.5
70.30486	1.6
70.30810	7.2
71.01251	25.5
72.99164	1.9
73.02818	9.3
77.19704	1.9
81.03333	2.8
83.01253	2.7
83.04890	5.8
85.02831	5.5
87.00741	3.0
89.02317	7.3
93.85121	1.6
95.04903	5.7
97.02843	2.8
97.06475	3.7
101.02338	11.8
109.06478	11.5
111.04406	2.1
111.08039	1.7
111.70116	1.7
113.02335	6.5
121.10114	1.8
123.08038	1.5
125.02318	2.7
125.09665	4.6
127.11185	5.3
128.11467	1.8
135.08112	2.2
139.11206	2.1
143.03384	2.3
145.04942	2.6
146.30424	1.6
151.11177	3.6
155.10695	4.4
161.04468	4.9
161.09673	2.1
163.11220	12.6
164.11505	2.4
165.09053	2.1
165.12761	3.9
166.13106	2.2
167.10645	2.1
169.01363	3.5
169.12238	4.1
171.10184	100.0
172.10490	2.7
179.10634	3.4
181.12256	5.7
183.10223	1.8
185.11789	5.3
191.10674	1.8
191.13998	2.1
195.13823	5.1
197.11740	6.0
199.13330	8.3
201.11256	39.5
202.11606	2.5
207.10199	33.3
208.10583	2.8
209.11772	97.9
210.12100	26.4
211.12244	5.1
211.13390	3.0
212.13643	1.8
215.12805	3.3
223.13297	7.0
225.11282	59.9
226.11604	4.0
226.87950	1.6
227.12801	19.1
228.13202	4.5
235.08278	9.7
235.17067	4.0
246.19710	2.1
253.09264	33.7
254.09694	4.0
264.20459	2.3
275.20139	16.6
289.18076	4.7
290.18463	2.3
291.19608	20.2
293.21228	93.8
294.21542	9.4
295.10443	3.0
300.28427	1.7
307.19424	10.6
308.19495	8.2
309.20544	16.9
311.22211	7.3
313.69510	1.6
447.22070	2.1
461.20261	12.7
544.28522	1.8
545.29694	1.8
572.81366	1.8
737.41077	6.2
755.42249	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	755.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93043	0.3
58.00459	0.5
59.01251	4.2
61.58069	0.3
71.01248	4.1
71.05733	0.8
71.06049	0.3
73.02811	0.6
80.02552	0.8
81.03317	1.2
83.04896	4.4
84.02032	0.6
85.02837	1.1
87.00739	0.5
89.02325	2.5
95.01292	0.5
95.04900	0.7
101.02320	3.4
109.06499	0.5
111.08041	5.5
113.02321	1.5
113.03111	0.3
113.05158	0.3
118.20222	0.4
119.03372	0.8
125.05979	0.4
127.07517	0.5
135.08043	0.5
138.07216	0.3
145.05043	0.5
151.11154	0.4
153.12737	0.4
161.04500	1.6
163.11183	4.0
165.12723	2.5
169.12276	2.6
171.10246	0.5
177.12354	0.4
179.05481	0.5
181.12225	1.1
191.10747	0.7
197.11765	26.2
198.12100	1.1
199.13243	1.6
207.10168	0.5
209.11774	100.0
210.12122	6.0
211.13365	4.8
223.84073	0.4
227.12848	12.4
228.13239	0.5
235.08165	3.0
238.48817	0.3
253.09271	15.9
254.09731	0.5
263.20160	2.0
265.18036	0.8
273.18692	0.7
284.91779	0.3
291.19684	11.3
309.20706	40.7
310.21161	3.0
364.55872	0.4
445.20605	0.6
593.82593	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76798	0.3
55.01748	0.5
55.78349	0.3
59.01249	4.3
69.03333	0.7
70.90371	1.1
71.01253	4.1
72.99197	0.5
73.02812	1.0
80.02535	0.9
81.03326	1.2
83.01290	0.5
83.04888	4.5
84.02043	1.0
85.02812	0.9
87.00739	0.7
88.04629	0.3
89.02309	2.4
91.03928	0.5
95.04886	0.8
96.95919	0.4
97.02830	0.8
97.06455	0.5
101.02312	2.2
109.06462	0.8
111.08038	6.3
112.08322	0.5
113.02347	1.9
119.03397	0.8
125.05929	0.5
127.07501	0.4
135.08037	0.7
137.09563	0.4
145.04961	0.4
153.12776	0.5
161.04463	1.4
163.11198	4.7
165.12744	2.2
169.12247	2.6
171.10156	0.7
179.05472	0.4
179.10611	0.4
181.12256	1.3
183.13773	0.6
191.10732	1.0
197.11768	29.6
198.12102	1.4
199.13362	1.7
209.11771	100.0
210.12076	5.5
211.13330	4.5
212.13710	0.4
227.12848	12.3
228.13092	0.4
235.08199	2.9
253.09283	12.2
254.09534	0.6
263.20206	1.5
265.17987	0.6
272.90955	0.4
273.18408	0.4
291.19656	13.7
292.20065	1.2
293.21555	0.6
309.20712	38.9
310.21005	3.1
445.20621	0.8
557.68951	0.4
777.00220	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.6
59.01249	5.6
61.98708	4.3
70.04343	2.5
71.01243	4.2
73.02837	0.9
78.95779	1.4
79.28181	0.5
80.02542	1.0
80.91554	1.7
80.95892	0.6
80.96366	1.0
81.03349	1.3
83.04908	5.4
85.02822	0.9
85.40749	0.6
87.00768	0.7
88.98653	0.6
89.02311	2.6
93.09366	0.5
95.04905	1.4
96.95897	8.3
96.96811	0.6
97.05584	0.6
98.19849	1.1
101.02330	3.7
111.08091	0.8
113.02332	1.5
119.03333	0.7
121.10104	2.1
125.09630	2.7
130.55305	0.6
161.04469	1.2
163.11186	3.3
165.12766	1.8
166.74486	0.6
167.14412	0.9
171.10178	13.0
172.10591	0.7
185.11740	3.3
191.10861	0.8
195.13812	0.9
197.11729	2.4
199.13329	1.4
207.10298	1.1
209.11771	100.0
210.12115	5.8
211.13342	54.0
212.13680	2.7
225.11290	1.1
227.12854	17.3
228.13196	1.1
235.08195	4.8
235.78970	0.6
249.11064	1.8
251.16647	2.9
253.09256	12.1
289.18262	0.9
291.19656	38.4
292.20102	3.4
309.20667	7.5
420.93314	0.7
445.20636	1.2
447.22363	1.3
527.28595	2.2
755.42499	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2043
Annotation	Kaempferol 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
59.01237	1.2
63.02263	1.0
65.00193	0.9
66.99569	0.6
69.30312	0.7
69.94701	3.9
73.18890	0.7
73.94067	0.6
83.01260	1.5
85.02807	0.8
98.20399	0.7
107.01246	3.5
125.02348	2.0
132.02126	1.2
135.00752	1.5
135.04581	0.6
151.00250	5.9
163.00310	1.6
166.54272	0.7
169.01321	2.7
178.99800	2.0
183.04466	1.7
185.05995	1.3
187.03954	1.3
211.03969	2.6
213.05559	0.9
214.58949	0.7
227.03447	50.4
228.03790	3.3
229.05022	3.7
239.03455	1.6
255.02966	92.6
256.03427	10.2
257.04602	3.7
278.16125	0.8
281.04236	0.9
283.02469	4.8
284.03256	100.0
285.03946	29.7
286.04385	1.4
300.99832	1.8
327.04507	0.9
575.14093	2.1
755.20319	61.2
756.20801	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	755.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14193	0.1
59.01259	0.8
60.36341	0.1
60.99185	0.1
61.41806	0.1
61.98703	2.1
71.01250	0.7
71.20978	0.4
76.74821	0.1
78.95776	6.0
79.95609	3.5
80.91544	0.2
80.96387	0.4
83.01231	0.2
83.04893	0.3
85.02822	0.2
87.00739	0.2
88.98676	0.5
89.02325	0.3
94.97974	0.4
96.95893	100.0
96.96791	7.5
97.95845	0.2
98.02353	0.2
101.02319	0.4
103.00269	0.4
111.08031	0.2
113.02381	0.2
125.02368	0.3
161.04529	0.3
163.11250	0.3
169.01335	0.2
171.10222	0.2
197.11771	0.8
199.13342	0.2
208.10661	0.1
209.11769	6.4
210.12129	0.2
211.13332	0.9
225.11263	0.3
227.12871	0.9
235.08171	0.2
253.09329	0.7
265.07516	1.1
291.03860	0.2
291.19656	0.6
309.20734	2.2
351.06018	0.1
379.15741	0.1
459.20929	0.4
483.15643	0.2
485.17075	0.5
712.23981	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45956	0.5
58.01864	0.3
58.55164	0.4
59.01253	16.8
69.03326	0.7
70.90884	0.8
71.01248	2.8
73.02831	0.6
78.95773	0.4
80.96378	0.5
85.02820	0.5
87.00743	0.8
89.02319	2.1
101.02325	2.9
113.02343	1.1
128.83897	0.4
145.04979	0.4
153.12779	1.1
161.04478	1.3
163.11386	0.4
169.12273	4.7
179.10760	0.6
197.11768	80.4
198.12144	4.0
209.11765	1.7
210.12148	0.5
235.08102	4.1
248.91078	0.4
253.09247	7.9
277.21719	100.0
278.22070	7.2
291.19608	0.4
301.85999	0.4
305.24927	0.7
306.25018	0.8
307.25586	0.5
332.04590	0.4
366.29297	0.6
377.45236	0.4
415.19794	1.0
433.20523	1.9
513.31012	0.9
546.19012	0.5
753.41888	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.4
57.03323	1.7
58.00460	0.4
59.01254	5.6
62.28825	0.4
64.22904	0.5
69.03312	0.7
71.01257	6.9
71.04885	0.6
73.02802	1.1
74.51688	0.4
75.34533	0.4
80.02551	1.4
81.03342	1.3
82.90610	0.4
83.01250	0.9
83.04903	5.7
84.02045	1.1
85.02815	1.5
87.00740	1.0
89.02321	3.4
93.03346	0.5
95.01284	0.7
95.04891	1.4
97.02804	0.8
97.06464	4.7
99.00785	0.4
101.02328	3.5
107.01274	0.6
107.04916	0.5
107.08556	0.5
109.02838	0.5
109.06474	1.2
111.08047	1.9
112.66293	0.4
113.02368	2.2
119.03404	0.8
123.04433	0.7
123.08073	0.9
125.02329	1.9
125.09618	1.5
135.08049	1.2
137.05959	0.5
137.09633	1.0
145.04993	0.6
147.11697	0.5
149.09647	0.7
151.11198	4.2
153.09111	0.7
153.12776	0.8
155.10695	1.6
161.04454	1.4
161.09515	0.6
163.11218	5.0
165.12769	8.1
167.10701	1.0
169.01308	2.3
169.12224	0.7
171.10249	2.3
173.09550	0.5
177.12706	0.7
179.05522	0.5
179.10699	1.9
181.12267	6.1
183.13750	1.5
191.10719	3.6
191.14334	1.8
195.10211	0.4
197.11830	0.7
199.13289	0.7
205.12254	0.7
207.10246	1.7
209.11777	100.0
210.12143	5.6
211.13303	3.0
225.11307	1.5
227.12840	17.8
228.13124	0.7
235.08174	3.2
245.19077	6.1
246.19521	0.9
247.13368	1.5
253.09251	8.7
261.18683	0.6
263.20187	9.8
264.20486	0.9
271.17160	0.7
279.19659	1.5
289.18103	12.3
290.18454	1.4
291.19562	0.6
293.21207	0.6
300.99872	0.7
303.19131	0.4
307.19144	31.8
308.19537	3.5
309.20700	0.9
327.19601	0.8
431.19858	0.5
445.20712	7.4
446.20999	0.5
460.19061	0.6
499.31049	0.7
525.27197	0.9
543.27960	5.6
544.28589	0.7
637.32013	0.8
655.33203	0.9
735.39819	1.5
753.40991	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	1.8
58.00454	1.5
59.01250	16.5
60.37867	1.0
63.00345	1.3
64.28082	1.1
71.01244	12.1
72.99160	1.2
73.02813	3.0
75.00751	12.2
80.02531	2.0
81.03336	4.1
83.01250	1.7
83.04887	6.9
84.02048	1.1
84.80428	1.1
85.02820	3.6
87.00771	1.3
89.02303	7.5
93.03348	1.2
95.01247	1.8
95.04892	2.3
97.02831	6.8
97.06454	3.9
99.00770	2.5
101.02332	10.9
109.06481	37.5
110.03614	1.3
111.08057	9.4
113.02333	5.9
116.08218	1.2
119.03374	1.9
121.06498	3.3
123.04398	2.2
125.02350	2.0
125.09605	3.2
135.08044	5.1
136.05220	1.4
142.02560	1.2
145.04991	1.4
151.11208	1.9
153.12746	1.7
159.02802	1.2
161.04445	3.8
161.09587	2.5
163.11192	22.9
163.72952	1.1
164.11543	1.9
165.12718	6.8
169.12228	5.0
171.10239	2.0
178.10564	1.2
179.10670	2.4
181.12296	8.0
183.13840	2.2
185.11674	1.9
189.09128	1.9
191.10794	1.5
191.14453	1.4
197.11780	45.5
198.12183	1.7
199.13289	2.8
207.10207	100.0
208.10478	5.6
209.11778	90.9
210.12045	4.0
211.13344	8.1
225.11285	35.8
227.12842	14.8
235.08179	6.5
245.19009	4.7
253.09261	29.3
263.20212	8.6
266.56268	1.3
279.19400	1.6
289.18076	18.9
290.18414	1.4
291.19653	14.1
292.19998	1.6
307.19159	28.0
308.19400	2.4
309.20734	65.6
310.20972	3.7
443.19275	3.5
445.20599	3.9
461.20175	13.3
468.13538	1.5
481.29642	1.6
499.30771	1.3
543.27954	2.4
637.32397	1.8
735.39587	1.5
753.40680	33.8
754.40723	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	753.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.7
58.00460	0.9
59.01247	11.8
68.50117	0.5
69.03342	0.7
71.01251	6.5
73.02816	1.7
80.02551	1.6
81.03328	3.1
83.01269	1.7
83.04886	6.7
84.02052	0.8
85.02828	2.4
87.00719	1.0
89.02325	4.7
93.03352	0.8
95.04910	1.6
97.02827	4.5
97.06477	2.8
98.19748	1.0
101.02317	6.5
103.79611	0.6
106.04095	0.6
107.04903	1.0
109.06474	15.5
110.03630	0.7
111.08057	4.2
113.02329	2.7
119.03404	1.4
121.06493	1.5
123.04413	2.6
123.08062	1.3
123.86115	0.5
125.02394	0.7
125.05972	0.8
125.09590	3.7
129.01756	0.7
135.08028	2.2
136.05206	1.0
137.09605	1.7
142.02673	1.2
143.03326	0.8
151.11192	0.7
153.12740	0.6
161.04466	2.5
161.09616	1.5
163.11197	16.7
165.12762	3.6
167.10669	0.7
169.12227	1.7
171.10182	2.0
177.12788	1.2
179.05507	0.9
179.10587	0.9
181.12222	3.6
185.11789	4.9
189.09149	1.3
191.10654	1.2
191.14336	4.0
192.14627	0.6
197.11766	20.3
198.12056	1.1
199.13301	1.6
207.10208	44.7
208.10580	2.7
209.11766	100.0
210.12096	6.8
211.13329	4.1
220.04823	0.6
223.09868	0.6
225.11284	17.5
226.11768	1.6
227.12834	10.3
228.13226	0.9
235.08215	3.8
237.11317	2.4
242.04001	0.6
245.19098	8.2
247.13258	0.6
249.15010	1.1
253.09253	18.0
254.09726	1.0
263.20105	3.0
271.17096	1.0
289.18097	36.6
290.18384	3.4
291.19653	7.4
302.75162	0.5
307.19141	26.5
308.19379	2.5
309.20712	21.4
310.21024	2.3
339.23407	0.6
355.36453	0.6
401.23248	1.3
410.71405	0.6
443.19116	2.0
455.31992	0.6
461.20374	5.7
481.29730	0.9
495.85681	0.6
499.30597	1.3
602.61206	0.6
637.32825	0.9
655.34119	0.6
717.38873	0.7
735.39502	1.9
753.40625	12.1
754.41180	2.5
766.99066	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83174	0.7
59.01249	5.6
61.98703	100.0
66.80636	0.8
70.85789	1.9
70.86124	1.6
71.01254	3.7
72.99187	0.8
73.02813	1.0
75.00758	2.2
78.95790	2.1
79.95632	2.1
80.96392	3.6
82.95299	1.6
83.02367	1.2
83.04911	0.9
85.02823	1.2
87.00755	1.4
88.98697	1.7
89.02319	2.2
94.97943	1.2
96.95891	22.0
96.96850	1.7
101.02327	2.6
109.06455	2.2
109.61124	0.9
113.02338	1.9
125.02335	2.9
125.09617	0.8
148.23741	0.8
154.33224	0.8
163.11232	2.3
168.00609	0.9
169.01328	3.3
171.10172	2.7
191.05516	0.9
195.13994	1.3
197.11824	1.2
207.10197	7.3
208.10646	1.1
209.11781	18.2
210.12164	1.5
211.13313	2.5
225.11284	3.1
227.12900	2.5
235.08076	1.6
239.12849	1.5
253.09283	3.2
273.16989	4.9
289.18054	5.6
291.19669	1.0
300.99832	1.0
307.19083	3.1
310.29657	1.0
325.20300	0.9
401.21985	2.2
461.20087	1.0
521.20331	1.0
543.28284	1.1
647.37592	1.0
701.27368	1.0
717.37311	2.5
753.32556	5.2
753.83026	0.9
762.98010	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	5.1
61.98702	19.2
71.01240	3.5
71.58009	1.9
73.02765	0.9
78.95787	2.0
79.95605	36.4
80.02545	1.0
80.96392	50.2
81.03326	2.0
83.04878	4.1
84.02022	0.9
85.02817	1.4
89.02310	2.5
91.39838	0.9
95.01286	1.2
95.95092	1.6
96.95892	45.1
101.02290	3.9
107.01268	3.1
109.06452	3.8
113.02293	1.5
121.02817	0.9
123.00781	1.9
125.02351	7.1
151.00237	3.4
163.11189	4.6
165.12752	1.9
165.62985	0.9
169.01340	8.0
174.87341	1.0
178.99715	1.7
180.98486	0.8
181.12247	1.2
189.01762	1.1
195.06479	1.2
197.11685	1.1
199.09744	1.3
201.01907	1.1
203.03307	1.1
207.10229	4.3
209.11772	44.0
210.12090	2.9
225.11211	2.2
227.03368	1.3
227.05505	0.9
227.12805	3.7
243.02870	2.2
253.09142	1.4
255.03023	5.0
271.02469	12.7
275.01978	1.8
285.04062	1.0
299.01953	2.3
299.99371	1.8
300.02676	13.5
300.99817	12.5
301.03427	9.6
302.00195	1.4
307.08325	3.7
309.04160	1.2
309.48206	0.9
342.01712	1.0
451.12338	1.4
463.04947	1.7
525.16467	1.1
601.15637	3.6
753.16461	8.0
753.29956	100.0
754.16919	2.6
754.29956	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	753.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.8
59.01238	5.1
61.98703	34.5
65.00191	2.7
65.56155	1.0
67.01736	1.5
69.03331	1.8
71.01255	10.4
72.99178	1.9
73.02798	1.4
78.95750	2.1
79.01762	3.2
79.95601	3.1
80.96377	5.5
83.01248	2.0
83.53691	1.0
85.02805	2.8
87.00743	3.4
89.02324	2.7
93.03322	2.0
95.01257	4.6
96.95899	10.2
97.02828	2.4
97.15730	1.1
101.02321	3.7
107.01266	13.0
111.00738	4.5
113.02292	2.9
116.92706	1.5
119.50004	1.2
121.02827	4.7
123.00771	26.2
124.01568	2.6
125.02347	58.8
126.02667	2.3
131.06328	1.4
136.98726	2.2
137.02377	1.7
139.00290	6.5
139.03850	1.7
140.01065	7.5
141.01822	3.6
149.02371	2.0
151.00284	24.9
166.99814	2.1
168.00523	7.8
169.01340	59.0
170.01640	3.2
171.10062	1.7
178.99774	6.1
209.11710	2.7
211.02362	1.8
250.33960	1.2
269.21198	2.2
277.48816	1.4
285.03876	1.5
287.22302	22.0
288.22510	2.3
300.99835	5.1
301.03497	22.5
302.03635	1.5
307.08221	5.6
313.05768	1.4
344.19922	1.2
349.09171	2.4
387.23846	2.3
390.72894	1.4
431.26563	2.8
449.27570	35.5
450.27731	4.6
451.12457	20.0
452.12228	2.4
583.11151	1.9
583.27887	1.6
588.67340	1.3
601.28595	44.4
602.28583	4.6
735.28925	2.9
753.29700	100.0
754.30151	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	753.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84932	1.3
59.01249	4.4
60.73046	1.3
60.99189	1.8
61.98704	37.2
63.02261	4.8
65.00206	11.2
71.01263	11.6
71.15215	2.4
72.99181	1.4
73.02823	1.5
78.95775	5.6
78.98473	3.5
79.95608	52.5
80.95909	2.4
80.96393	49.3
81.03327	1.5
83.01251	9.7
84.20534	1.5
85.02831	2.7
87.00759	3.4
88.98664	3.3
89.02340	1.6
93.03349	3.1
93.14407	1.2
94.97958	10.8
95.01255	3.1
96.95901	13.0
96.96797	1.4
97.02824	2.5
99.00760	1.5
101.02323	3.2
106.98003	1.7
107.01273	25.5
109.02859	2.6
111.00769	3.2
113.02336	2.1
121.02837	14.5
122.97478	3.7
123.00770	9.3
124.01553	2.7
125.02332	27.9
134.97406	3.6
136.98950	2.3
139.00252	4.7
140.01041	4.6
140.83319	1.3
141.01828	2.3
148.99016	5.6
149.02330	3.9
150.03119	1.7
151.00279	73.7
152.00710	1.8
152.98528	4.4
155.07011	4.4
161.04413	1.9
163.00250	1.7
163.03932	1.5
164.98528	5.9
166.99823	4.0
167.32014	1.3
168.00516	5.7
168.99951	3.0
169.01349	46.7
178.99812	29.6
188.98647	1.7
193.01315	4.6
198.73958	1.4
206.99593	5.4
209.11772	4.4
225.00739	19.2
225.57097	1.5
229.04865	2.1
241.00299	1.8
245.04637	2.1
257.04391	1.5
270.52289	1.4
273.04004	3.2
275.01828	1.5
283.04950	2.4
289.07233	3.6
300.02655	2.1
300.99890	4.9
301.03513	99.9
302.03836	5.7
306.07751	2.3
307.04865	2.6
307.08206	25.6
308.08511	1.7
315.01813	2.3
341.05423	4.1
349.09348	14.8
355.07187	1.7
425.14905	4.5
433.11508	2.6
451.12466	100.0
452.12582	8.7
509.17172	5.0
551.18188	1.6
581.19696	1.6
601.16376	1.7
609.22382	2.6
651.27020	4.1
652.27325	1.9
735.28986	24.3
736.27936	2.1
749.72937	1.8
753.16962	7.9
753.30145	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	753.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.3
61.98705	21.7
63.02260	3.5
65.00188	8.0
68.85152	1.6
69.03347	1.9
71.01264	4.1
71.57719	3.1
73.02822	1.9
79.95615	1.9
80.96404	2.4
83.01261	5.6
83.04872	1.8
85.02840	1.4
87.00745	2.2
93.03359	3.2
95.01243	2.7
96.95882	6.7
107.01273	22.5
108.02046	2.5
109.02827	5.8
110.39307	1.5
111.00762	1.9
111.90311	1.5
116.01982	1.5
116.92690	1.8
121.02853	11.0
123.00776	12.3
123.04354	2.6
124.01557	3.4
125.02342	34.8
136.98721	3.1
137.02368	3.4
139.00314	4.4
140.01125	2.2
141.01794	2.0
149.02319	3.4
151.00284	47.2
151.01512	2.3
152.00658	2.0
155.07047	5.7
163.00343	8.8
164.01033	2.2
165.01871	2.2
165.05501	2.0
166.99789	6.1
167.03419	2.3
168.00558	7.7
169.01338	53.3
170.01741	2.1
177.01918	2.0
178.99817	23.8
179.03459	1.7
187.03984	2.3
193.01326	2.6
199.04022	1.9
201.05486	2.8
211.04008	3.7
215.03474	2.0
226.02611	2.1
227.03448	6.4
231.02911	2.2
243.02980	13.8
245.04497	3.6
254.02296	2.9
255.02992	32.6
256.03320	3.0
271.02481	66.2
272.02930	6.3
283.02380	5.2
285.03964	3.1
287.22195	2.4
289.07227	3.9
299.01923	2.0
299.99570	3.4
300.02740	89.6
300.99872	10.6
301.03467	100.0
302.03717	7.9
303.00116	1.9
306.07370	2.8
307.08237	22.0
329.22852	1.6
349.09219	9.4
409.11377	2.2
447.74731	1.7
449.27695	2.2
451.12463	62.6
452.12827	7.2
463.09262	3.2
503.78098	2.0
583.14856	2.0
584.56470	1.8
601.15588	39.3
601.28400	6.7
602.16119	3.7
753.16711	63.1
753.29913	5.8
754.16656	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	753.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02267	4.9
65.00194	8.0
69.61282	1.0
69.61693	2.2
72.53966	0.4
81.03372	0.4
83.01259	5.0
93.03329	1.8
95.01241	0.6
107.01274	15.6
109.02843	1.9
111.00806	0.5
121.02847	11.4
122.03220	0.5
123.00752	1.2
125.02313	3.4
135.00835	0.5
139.00287	0.5
139.03915	0.5
143.04915	0.5
149.02357	1.2
151.00276	51.7
152.00642	1.9
159.04419	0.9
161.02377	0.4
163.00273	2.7
163.03893	0.9
164.01045	1.3
167.04974	0.6
169.01355	6.3
175.04007	0.5
178.99785	23.2
180.00145	0.6
183.04446	0.9
187.03961	1.2
192.00571	0.5
193.01370	0.7
199.03963	0.7
199.81160	0.4
201.05499	0.9
203.03453	0.4
205.05064	0.6
211.03871	1.3
211.21407	0.5
215.03546	0.6
227.03448	2.1
229.05017	1.9
243.02951	2.8
245.04562	2.6
255.02972	7.8
256.03506	0.8
257.04660	0.8
271.02466	16.4
272.03061	1.9
273.04062	2.7
283.02341	0.7
294.28149	0.4
297.06204	0.6
299.02081	2.6
299.14203	0.4
300.02747	21.0
301.03513	100.0
302.03900	6.3
401.31152	0.4
451.12500	3.3
601.15594	4.3
602.15601	0.7
753.16748	8.2
754.17096	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03289	1.4
57.50635	1.4
59.01258	4.2
61.98708	31.9
63.01975	1.7
63.02270	3.7
65.00197	7.2
67.19061	1.3
69.42113	3.1
69.42519	11.5
70.02821	1.7
71.01250	5.4
72.10501	1.5
72.99189	2.5
78.95779	48.9
79.01755	1.5
80.96404	3.6
81.03319	1.8
83.01279	4.6
83.04913	9.2
95.01272	4.1
96.95885	4.6
96.96833	9.1
107.01282	18.7
109.02860	4.1
111.00747	5.0
116.92822	1.5
121.02851	11.3
123.00769	12.5
124.01573	3.0
125.02347	29.0
127.00246	2.3
135.08058	1.7
136.98700	2.1
137.02370	2.0
139.00250	6.6
140.01076	3.3
141.01802	1.7
149.02361	2.3
151.00278	43.2
152.99519	11.7
155.07036	5.0
157.46846	1.7
159.04427	2.1
161.18690	1.6
163.00243	4.0
163.11215	6.3
165.05519	2.1
165.12747	3.7
166.99786	4.2
168.00592	9.6
168.01747	1.6
169.01340	48.2
169.46280	1.5
170.01672	1.6
177.38441	1.3
178.99800	18.8
187.04053	2.2
191.03287	1.7
191.10574	2.3
193.01341	4.3
195.06552	2.4
199.03877	2.4
201.05537	2.3
208.41524	1.4
209.11768	66.3
210.12186	1.7
223.00043	2.7
227.03493	3.1
227.12848	3.9
229.01501	1.9
229.05052	2.2
230.22246	1.7
241.01137	25.9
243.02901	9.9
255.03017	20.5
259.02063	2.0
267.70245	1.8
271.02478	40.2
272.02972	4.5
273.03821	1.8
283.02463	1.9
289.07181	3.9
298.98645	2.4
299.02011	4.6
299.99521	1.5
300.02734	56.7
300.99911	9.0
301.03476	100.0
302.00555	2.2
302.03915	6.3
307.08237	21.5
314.00742	2.5
323.79764	1.5
349.09277	11.5
357.63934	1.7
363.12177	6.1
371.70596	1.6
384.28372	1.5
391.10208	2.2
433.11685	3.1
451.12469	81.9
452.12830	8.3
516.15240	1.5
525.17499	3.7
601.15588	18.7
601.28748	2.6
753.16858	34.1
753.31091	78.1
754.17004	7.8
754.31433	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	752.371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.3
61.98703	100.0
62.98416	0.1
69.71489	0.1
69.87746	0.1
71.14974	0.3
71.15343	0.3
82.95302	0.4
89.02309	0.1
89.85645	0.1
96.95885	0.9
96.96868	0.1
101.02350	0.1
116.92734	0.2
125.02340	0.1
169.01280	0.2
171.10188	0.1
200.34009	0.1
207.10347	0.3
209.11815	0.5
210.12178	0.2
211.13358	0.5
212.13716	0.1
225.11313	0.5
298.63733	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.3
69.51019	1.9
69.51437	0.6
71.01285	0.4
77.89574	0.3
92.41114	0.3
93.19638	0.3
94.03587	0.3
96.95857	0.4
99.59736	0.3
107.01279	0.4
111.00764	0.3
123.00776	0.5
123.43208	0.3
125.02354	1.7
137.25096	0.3
145.02863	0.6
147.04482	0.3
151.00244	0.7
157.02850	0.3
159.25230	0.3
169.01321	1.8
172.01563	0.4
173.02336	1.0
185.02402	2.0
185.04871	0.3
200.01161	0.5
201.01874	1.5
216.00607	0.5
216.49518	0.3
217.01416	0.3
226.99879	0.5
228.00533	0.4
229.01363	3.0
244.00151	0.5
245.00870	1.2
257.00897	1.7
271.99646	0.4
273.00381	0.7
283.99640	1.9
299.99115	17.1
300.02188	0.6
300.99887	100.0
302.00192	6.1
342.65747	0.3
433.05270	0.3
447.05527	0.4
534.75629	0.3
601.12006	4.6
602.12482	0.7
753.13080	7.4
754.13239	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86140	0.2
59.01254	0.7
61.98703	100.0
71.01273	0.6
75.00764	0.4
78.95782	1.0
79.95592	0.3
80.96355	0.2
82.95284	0.4
83.04913	0.4
89.02334	0.5
92.92709	0.3
94.97974	0.8
95.35289	0.2
96.95899	3.0
97.02845	0.3
101.02328	0.5
109.06506	0.3
113.02341	0.4
119.08571	0.5
125.02352	0.7
125.09606	0.4
161.04552	0.3
163.11215	0.3
169.01326	0.4
170.01630	0.2
171.10190	1.0
185.11781	0.3
197.11775	0.5
207.10284	0.7
209.11768	4.6
210.12143	0.4
211.13350	1.4
212.13728	0.5
225.11360	0.9
227.12671	0.6
245.14813	0.3
253.09308	0.8
289.18271	0.7
293.21332	0.5
294.21674	0.6
305.17609	0.3
307.19287	0.6
309.20953	0.5
311.22327	0.2
397.13638	0.4
415.82788	0.3
477.00812	0.3
735.39764	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.3
61.98703	100.0
62.75806	0.1
75.33468	0.1
80.96380	0.4
88.98705	0.2
96.95886	1.0
125.02341	0.2
134.51396	0.2
141.49600	0.1
145.06793	0.2
169.01416	0.4
207.10141	0.2
208.67856	0.2
209.11861	0.5
283.09732	0.2
300.99866	0.2
324.01840	0.2
347.45056	0.2
697.47705	0.2
753.33594	0.3
763.83478	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.7
57.63011	0.8
59.01251	7.9
61.98717	1.3
68.66527	0.8
69.03336	2.4
71.01255	4.9
71.56489	1.3
73.02812	1.2
79.53834	0.8
83.04916	1.4
85.02845	1.3
87.00755	1.5
89.02321	3.0
95.01287	1.4
95.04924	0.9
96.95869	1.1
97.02863	1.2
101.02334	4.8
109.06474	2.0
111.08038	7.9
113.02329	2.2
123.00751	0.9
123.08083	1.0
123.26978	0.8
125.02328	2.4
125.09629	1.0
161.04488	2.0
163.11234	1.3
167.10643	2.5
169.01303	2.8
169.12279	3.4
177.12560	0.8
179.10724	1.6
179.14359	3.2
195.13823	11.0
197.11772	33.4
197.81467	0.8
198.12140	1.8
199.13374	1.4
205.12306	9.1
207.10249	2.3
209.11809	3.1
211.13454	4.6
221.11871	1.1
223.13347	100.0
224.13559	5.1
225.11365	2.0
227.12784	1.0
232.39662	0.8
235.08240	6.6
249.14787	1.4
250.39928	0.9
253.09254	16.9
254.09647	1.1
263.20108	2.0
291.19678	11.8
300.99966	2.5
307.18973	1.0
309.20715	36.9
310.21167	2.9
459.22385	7.5
460.22781	1.3
527.29187	1.3
751.41113	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00481	1.7
59.01250	33.4
67.96609	1.4
71.01256	28.2
71.01653	1.7
72.99181	2.2
73.02825	4.9
81.03330	1.6
81.23187	1.4
83.01263	2.4
85.02829	9.1
87.00768	7.1
89.02316	23.5
95.01260	2.4
97.02837	6.1
98.19740	2.7
99.00780	2.1
101.02322	22.4
109.02757	1.6
113.02326	13.8
119.03408	8.3
125.02347	11.7
143.03413	4.6
161.04468	4.9
163.11104	1.7
164.95796	1.5
167.26648	1.4
169.01369	2.9
179.05547	4.8
187.85251	1.5
204.00401	1.4
207.10150	4.2
209.11821	2.7
223.09671	1.7
225.11383	2.7
229.94907	1.8
235.08171	12.7
253.09030	2.7
287.07690	3.2
293.24869	91.2
294.25183	4.6
300.99689	1.7
305.08798	4.4
323.09720	2.0
339.10956	1.6
370.69385	1.7
397.13489	100.0
398.13934	5.5
415.14548	35.6
416.14984	1.6
483.33038	1.7
506.14563	1.6
582.60370	1.8
692.50745	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.6
57.03315	1.3
59.01255	8.5
61.98699	1.2
69.03333	3.4
69.03652	0.5
70.44303	1.6
71.01247	5.7
71.04866	0.8
73.02824	1.1
73.99233	0.7
80.02557	0.7
83.04912	1.2
85.02823	1.4
87.00759	1.6
89.02305	3.4
93.03362	0.7
95.01240	0.9
97.02839	1.1
101.02324	5.0
103.84852	0.6
107.01311	0.7
109.06493	1.7
111.08019	5.8
113.02330	1.8
114.67001	0.6
119.03391	1.8
124.27259	0.6
125.02305	1.6
125.09627	0.8
145.04924	0.7
149.09622	0.7
151.11238	0.6
153.09100	0.7
161.04439	1.8
163.11169	1.0
165.66431	0.6
167.10690	3.7
169.01324	2.0
169.12254	3.2
171.10178	1.0
177.12735	1.3
179.10709	2.2
179.14322	4.1
181.12239	0.8
183.13791	0.9
195.13826	8.8
197.11760	36.2
198.12097	1.9
199.13261	2.1
205.12274	9.4
207.10202	1.5
209.11781	3.7
211.13348	6.1
217.01303	0.8
221.11847	0.8
223.13344	100.0
224.13716	4.9
225.11307	0.9
227.12846	1.4
235.08209	5.2
249.14984	1.8
253.09242	15.3
254.09560	0.6
263.20221	1.4
265.18146	0.9
273.18646	0.8
289.18393	0.7
291.19656	13.6
292.20087	0.7
300.99838	1.2
305.21164	1.5
309.20712	42.2
310.20987	4.3
339.03860	0.8
459.22360	8.0
460.22745	1.0
515.33942	1.2
545.29462	0.7
751.41028	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.7
57.03310	2.6
59.01254	18.6
69.03318	1.4
70.51829	0.6
71.01253	12.5
71.04885	1.0
72.99193	0.8
73.02817	1.7
80.02557	1.8
81.03327	5.1
83.01260	3.1
83.04905	5.8
85.02837	3.9
87.00749	3.6
88.08478	0.8
89.02314	5.7
93.03402	0.7
95.01271	2.1
95.04904	2.1
96.95881	0.9
97.02826	10.5
97.06465	5.3
99.00753	2.3
101.02321	9.3
106.04180	0.8
107.01284	1.0
107.04946	0.8
109.06474	37.0
110.03611	3.5
111.04405	1.2
111.08033	0.9
113.02334	4.2
119.03384	1.7
119.08606	0.8
121.06465	3.7
123.04385	3.9
123.08043	2.4
125.02359	3.7
125.09616	9.7
129.01845	0.8
133.06508	1.3
135.08066	7.0
136.05186	2.7
137.06047	1.2
137.09607	2.3
139.07576	1.4
141.12659	0.9
142.02625	3.0
143.03383	1.0
145.04916	1.1
149.06000	0.8
149.09598	1.1
151.11171	1.3
161.04451	3.9
161.09628	3.2
163.11194	27.6
164.11488	1.4
165.09061	1.2
165.12740	1.8
166.10001	0.7
167.10588	1.4
169.01337	5.5
171.10197	2.5
173.68188	0.8
177.12779	1.0
179.05493	1.7
179.10686	1.8
181.12323	5.2
185.11761	8.2
187.09694	2.7
189.09099	2.6
189.12820	0.7
191.10712	1.9
191.14334	4.9
197.11775	1.8
203.14314	1.1
205.08699	1.5
205.12271	0.9
207.10201	100.0
208.10489	4.3
209.11777	30.3
210.12148	1.8
211.13359	3.1
221.11858	1.1
223.09749	2.1
223.13287	4.7
225.11269	46.0
226.11665	1.2
227.12805	1.6
229.72278	0.8
235.08168	4.6
237.11285	1.8
243.12233	0.8
245.19061	9.1
247.13477	1.8
253.09261	14.4
263.20142	2.4
265.14453	1.0
271.17099	1.6
281.13834	1.0
287.16479	2.0
289.18103	38.7
290.18369	3.4
293.20737	0.7
299.14914	1.7
300.99908	2.7
305.17487	2.7
307.19159	35.5
308.19492	2.8
309.20712	2.6
315.52740	1.2
323.22345	1.0
327.19760	1.0
329.17599	1.0
345.20731	1.9
355.18613	0.9
371.22226	1.0
399.21793	6.6
400.21936	1.1
405.17612	1.3
417.22656	3.5
443.19244	3.2
453.30319	1.6
461.20230	17.8
461.26300	1.5
462.20395	1.3
479.27994	3.5
497.29010	5.5
515.30066	1.6
543.27380	1.0
571.34003	1.0
609.29279	1.1
635.30463	6.7
636.31329	1.2
653.31854	4.5
654.31964	0.9
715.36761	3.8
716.38062	1.1
733.37903	8.3
734.38025	2.2
751.39099	27.0
752.39636	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	751.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04033	0.3
59.01244	2.6
63.02269	3.4
65.00195	6.2
68.99113	0.4
69.28187	0.6
69.28585	3.4
71.01283	0.6
75.97301	0.4
79.31057	0.3
80.96369	0.5
83.01264	3.3
93.03317	1.9
95.01266	0.7
96.95837	0.5
98.20588	0.8
107.01266	9.6
108.02098	0.4
109.02876	2.5
109.06449	0.4
116.92722	0.8
119.01276	0.5
121.02840	9.1
123.00770	1.2
124.01558	0.4
125.02337	3.7
137.02397	0.4
139.00229	0.4
139.03891	0.7
144.85629	0.4
149.02296	1.3
151.00275	34.9
152.00661	0.8
161.02374	0.7
163.00229	2.6
163.03883	0.7
164.01039	0.6
165.01923	0.4
169.01343	7.3
171.04485	0.3
175.03922	0.4
177.01854	0.8
178.99786	16.3
180.00166	0.6
183.04443	0.5
185.06117	0.5
187.03899	0.9
189.05298	0.4
190.99722	0.4
193.01341	0.9
199.03925	0.6
201.05525	0.7
202.61034	0.4
203.03386	0.5
205.04892	0.4
209.11713	1.2
211.03920	0.8
224.11511	0.4
227.03442	1.6
227.12793	0.6
229.05032	1.5
239.03593	0.7
243.02867	1.0
245.04546	1.9
255.02986	3.4
256.03482	0.5
257.04486	0.6
271.02441	4.4
272.02994	0.6
273.04089	2.2
283.02393	1.0
285.04056	0.9
299.01950	1.3
300.02737	5.5
301.03510	100.0
302.03888	6.4
359.15082	0.7
360.15500	0.7
372.15271	0.9
449.10846	1.1
465.06638	1.3
599.14203	2.2
653.62494	0.4
751.14648	3.5
751.38940	0.4
752.15869	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08237	1.1
59.01251	9.6
59.51556	0.9
61.98698	12.4
65.00180	1.1
69.44457	9.8
70.77456	1.0
71.01250	7.2
72.99184	1.3
73.02815	1.8
80.02569	1.4
80.96404	1.4
81.03351	2.6
83.01251	3.5
83.04892	7.3
84.02073	2.5
85.02845	2.7
87.00768	1.5
88.98653	1.8
89.02322	5.6
93.03325	1.2
95.01260	1.4
95.04948	1.2
96.95872	3.6
98.19795	1.6
101.02309	6.4
103.57983	1.2
107.01270	1.6
109.06465	1.3
113.02337	4.8
119.03387	2.1
123.00763	1.8
125.02306	5.1
135.04430	1.7
150.03018	1.2
151.00327	1.1
151.11189	3.4
161.04468	1.5
163.11191	6.2
165.05469	1.5
165.12767	4.4
169.01315	7.0
169.12257	44.8
170.12639	1.6
189.01793	1.1
191.10773	1.5
197.11765	77.1
198.12108	4.1
199.77295	1.1
209.11771	100.0
210.12065	5.4
215.63651	1.0
227.12865	7.2
235.08125	1.3
253.09311	8.7
257.00995	1.3
275.02029	2.0
300.99957	11.6
301.03186	2.0
306.70609	1.3
315.01642	1.9
465.06912	2.5
504.52905	1.3
554.48071	1.2
630.24823	1.2
687.32239	39.3
688.32715	6.1
719.34918	50.5
720.35535	7.6
751.37616	43.3
752.38220	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	751.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94828	1.1
57.28637	1.0
59.01234	3.5
65.00194	2.0
67.01782	1.1
69.03306	4.2
69.57362	7.6
71.01263	5.5
72.99177	3.6
83.01257	1.9
85.02811	1.5
87.00743	2.7
89.02306	2.3
93.03327	1.5
95.01275	1.8
96.95867	1.5
97.02818	3.5
101.02319	1.7
107.01277	11.9
107.57844	1.1
109.02791	1.6
111.00747	3.2
113.02320	1.8
115.89101	1.1
116.11568	1.0
121.02853	1.9
122.03583	1.5
123.00777	12.4
123.04397	1.2
124.01520	3.3
125.02341	100.0
126.02661	2.3
133.02875	1.3
135.04442	1.2
136.98627	1.0
137.02304	2.9
139.00266	3.5
140.01045	3.9
145.02863	1.6
147.04449	1.9
149.02325	4.4
149.48372	1.0
150.03152	7.9
151.00273	8.9
151.03804	1.1
153.01796	1.9
161.02254	1.2
163.00218	1.5
163.03896	1.4
165.05502	7.8
166.99806	2.6
167.03418	1.8
168.00525	8.0
169.01343	95.0
170.01672	3.1
174.94148	1.0
175.03879	1.3
177.01839	5.0
179.03391	1.9
180.04150	1.1
191.03436	4.1
192.04141	1.2
193.01341	2.7
193.05142	1.2
195.06537	4.8
205.01347	1.7
211.02304	3.4
221.04518	16.5
227.03432	13.7
228.03818	1.2
229.04994	2.2
241.74234	1.2
255.02957	24.1
256.03546	3.4
271.02432	1.3
283.02591	2.3
284.00403	1.6
284.03293	23.6
285.03937	12.5
286.04465	1.8
295.04562	4.6
300.99857	3.8
301.03287	1.3
313.05667	14.9
329.13913	1.1
465.06747	12.8
466.07294	1.5
519.92053	1.0
599.10425	5.6
632.56396	1.0
747.33801	1.0
751.11523	86.8
752.11841	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	751.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85260	0.3
59.01247	0.8
61.58292	0.2
63.02273	2.9
65.00198	6.0
70.92030	0.6
71.01286	0.4
81.03363	0.2
83.01260	3.8
83.92348	0.2
88.98704	0.4
89.02343	0.3
91.01765	0.2
93.03357	1.6
95.01268	0.4
96.02921	0.3
96.95905	0.5
107.01273	10.7
109.02850	2.5
119.01247	0.5
121.02849	8.2
122.03186	0.3
123.00748	1.2
125.02346	2.8
135.00774	0.5
135.04393	0.3
137.02362	0.4
139.03928	0.7
145.02931	0.3
147.04364	0.3
148.01550	0.3
149.02367	1.4
151.00279	36.7
152.00613	1.2
155.07033	0.4
159.04463	0.4
161.02318	0.8
161.05963	0.3
163.00259	2.3
163.03979	0.3
164.00940	0.4
165.01945	0.4
165.05429	0.6
168.00471	0.3
169.01353	6.4
169.02773	0.5
171.04398	0.4
173.06036	0.3
175.03958	0.8
177.01855	0.3
177.05528	0.3
178.99786	16.8
180.00081	0.6
183.04439	0.9
187.03900	0.7
192.00584	0.4
193.01340	1.1
199.03856	0.5
201.05496	0.5
203.03494	0.4
211.03984	1.3
212.59125	0.2
213.01807	0.3
227.03479	1.1
228.04115	0.3
229.04974	1.6
231.02834	0.3
243.02956	1.4
245.01953	0.3
245.04433	2.0
255.02980	3.6
256.03503	0.6
257.04562	0.8
261.43307	0.3
271.02441	4.3
271.09732	0.4
272.03180	0.3
273.04089	2.0
283.02493	1.0
284.03308	0.5
285.03986	0.6
291.46234	0.3
299.01978	4.1
300.02728	6.6
301.03525	100.0
302.00729	0.3
302.03854	7.4
313.05554	0.3
314.49197	0.3
387.88837	0.2
449.10812	1.9
463.08490	0.5
465.06613	0.6
599.12787	0.9
751.14648	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.1153
Annotation	Loropetalin D
Peak:m/z	Relative Intensity
55.01748	1.1
55.77740	0.5
59.01249	0.9
60.53878	0.4
67.01761	1.1
69.03320	1.3
71.01252	3.8
72.99160	0.5
75.43103	0.4
79.01768	1.0
81.03342	0.6
83.01257	2.0
84.10085	0.5
85.02848	3.7
93.03373	0.9
95.01260	2.7
97.02823	1.6
99.00748	0.5
101.02318	4.9
105.03354	0.6
107.01271	10.7
107.04905	1.0
109.02839	0.6
111.00763	1.5
113.02332	5.0
117.03373	0.6
117.74883	0.5
121.02840	1.0
123.00771	16.0
124.01575	1.7
125.02341	64.4
125.16023	0.5
126.02679	1.8
127.00284	0.8
127.95906	0.6
133.02870	0.6
135.04414	0.9
136.98711	1.2
137.02322	1.2
139.00261	4.1
140.01053	2.8
141.01851	2.0
143.03435	1.0
145.02858	0.9
147.04391	0.6
149.02374	1.0
150.03148	0.5
150.99118	0.9
151.00276	11.2
151.03911	0.9
153.01851	1.0
159.04416	0.8
161.02347	3.6
163.00232	0.6
163.03909	0.8
165.01826	1.4
165.05501	0.5
166.02609	0.7
166.99767	2.5
167.03372	1.0
168.00563	6.3
169.01341	100.0
170.01674	2.9
171.04396	0.6
173.02367	0.7
174.03194	0.5
175.03978	0.8
177.01845	1.6
179.03407	6.6
185.06059	0.5
187.03874	0.5
188.25328	0.4
189.05600	0.5
191.03410	1.6
193.01375	3.5
193.04958	0.6
199.03949	0.5
203.03432	1.0
205.01421	0.9
207.02957	1.3
209.04549	0.8
211.02390	2.0
213.05470	0.7
219.02866	0.6
221.00891	0.9
223.02342	1.1
227.03442	1.9
229.04976	2.1
235.02411	2.1
247.02527	0.7
251.05516	1.2
253.03511	0.8
255.03171	2.5
256.03424	1.0
257.04535	1.5
284.03299	3.6
285.04041	11.5
286.04480	1.2
287.05585	0.5
295.04630	4.5
297.05914	0.6
299.98917	1.3
300.99918	6.6
301.26834	0.5
302.00211	0.5
313.05652	38.3
314.06058	2.5
421.07742	7.6
465.06732	63.3
466.07144	7.5
599.10400	8.7
600.10907	1.9
751.11249	4.0
752.11597	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
65.25034	0.4
67.01749	0.4
67.72780	0.4
69.03322	0.8
69.23418	3.1
69.23825	0.8
69.31105	0.4
71.01257	4.0
72.99156	0.4
79.01775	0.4
81.03369	0.4
83.01261	1.0
85.02833	1.0
87.00772	0.4
93.03374	0.7
95.01259	2.0
97.02830	1.0
98.19836	0.9
101.02322	1.1
107.01271	7.1
109.02826	0.7
111.00800	1.2
113.02356	1.4
123.00771	8.6
123.04484	0.4
124.01566	1.3
125.02338	44.6
126.02705	1.9
135.04424	0.5
136.98730	0.7
137.02345	1.0
139.00267	2.0
140.01050	1.8
141.01794	1.2
149.02336	1.0
151.00273	6.1
151.03873	0.7
153.01859	0.5
156.91975	0.4
157.72560	0.4
161.02234	0.4
165.01831	0.9
166.02605	0.5
166.99785	1.6
167.03436	1.1
168.00543	4.7
169.01343	62.0
170.01697	2.4
177.01967	0.4
179.03368	0.6
181.01410	0.5
193.01407	3.1
195.02847	0.9
207.03116	0.4
211.02409	5.2
211.04143	0.5
223.02408	1.3
228.63368	0.4
229.05153	0.6
235.02536	0.9
241.03517	0.8
242.01923	0.4
253.03511	1.1
257.04575	0.5
284.03293	0.7
285.04022	2.4
295.04614	1.9
297.06140	2.9
313.05646	22.9
314.06046	1.2
388.48141	0.4
465.06723	100.0
466.06995	9.5
466.13644	0.5
516.48755	0.4
522.46173	0.4
599.10590	1.5
725.45544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.6
64.96909	0.2
67.01761	0.7
68.99698	0.5
69.03311	0.7
69.49062	1.0
69.49496	1.3
71.01256	2.8
72.99187	0.5
73.02792	0.7
73.47664	0.2
75.34026	0.2
79.01770	0.5
81.03342	0.5
83.01263	0.9
85.02818	1.6
87.00756	0.8
93.03365	0.5
93.70972	0.3
95.01250	2.3
97.02837	1.1
98.20613	0.6
99.00771	0.5
100.82272	0.2
101.02306	1.8
107.01266	5.4
109.02834	0.5
111.00757	1.7
113.02299	2.0
121.02792	0.5
123.00771	9.2
123.04417	0.4
124.01551	1.5
125.02337	37.3
126.02676	0.9
127.00244	0.9
136.98732	0.7
137.02353	1.6
139.00258	3.4
139.03816	0.5
140.01056	3.6
141.01828	1.1
143.03413	0.5
145.06503	0.3
149.02333	0.9
151.00276	5.9
151.03873	0.6
153.01849	0.7
154.99715	0.4
155.03426	0.4
164.01028	0.3
165.01872	1.5
166.02655	0.3
166.99739	1.3
167.03377	1.1
168.00549	5.8
169.01338	45.0
170.01656	1.4
179.03467	1.0
181.01335	0.8
183.02855	0.5
187.03938	0.3
191.03456	0.6
193.01340	3.8
195.02916	0.5
207.02873	0.5
211.02425	6.8
223.02438	1.0
227.03436	0.3
229.05081	0.4
235.02469	0.9
241.03519	0.9
253.03528	1.5
255.03143	0.3
262.41519	0.3
285.04004	1.0
295.04636	2.8
296.04855	0.3
297.06357	0.5
300.99698	0.6
313.05646	14.4
314.05954	0.4
396.18140	0.3
406.89590	0.3
415.47430	0.3
464.06082	0.4
465.06714	100.0
466.07031	10.1
599.10437	0.5
621.32489	0.3
720.23737	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96107	1.9
69.92736	4.3
71.01252	9.8
73.02835	2.5
78.98454	9.2
79.95604	14.0
80.96394	97.8
85.02818	5.0
87.00753	3.3
94.97964	22.1
96.95851	1.8
101.02325	5.0
106.97966	5.0
122.97479	3.7
125.02333	4.0
127.03850	1.8
130.83151	1.1
134.97470	6.1
136.99036	2.1
141.17117	1.1
148.99039	6.4
152.98532	9.0
164.98553	15.5
206.99614	3.0
211.13371	3.0
213.97845	1.1
224.98657	2.1
225.00700	24.0
243.01730	1.3
255.23129	2.3
283.04694	1.3
344.90271	1.2
377.22281	1.1
493.17566	3.4
521.22601	1.4
537.27606	1.6
749.41547	100.0
750.41742	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	750.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.6
60.37509	0.2
61.98703	100.0
70.92128	0.6
71.01258	0.5
72.99193	0.5
75.00754	0.7
80.96415	0.5
88.98679	0.4
89.02292	0.2
96.95885	1.0
105.01822	0.4
116.92760	0.3
125.02366	0.5
155.07123	0.3
169.01350	0.6
207.10248	0.4
209.11823	1.6
210.12109	0.5
211.13344	1.0
212.13754	0.4
225.11293	0.3
293.21210	0.4
471.70728	0.2
513.27588	0.2
694.57690	0.2
742.05298	0.2
751.31689	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.2
57.03320	0.2
59.01248	0.6
65.00201	0.4
67.01757	0.7
68.99693	0.4
69.03321	0.9
71.01254	2.9
71.57287	0.3
72.99184	0.4
73.02813	0.5
79.01768	0.5
81.03324	0.7
83.01271	0.9
85.02824	1.5
87.00755	1.0
89.02287	0.2
91.01750	0.2
93.03349	0.5
95.01266	2.4
96.64723	0.1
96.95887	0.1
96.99195	0.2
97.02842	1.0
99.00752	0.5
101.02328	2.2
107.01270	5.9
107.04891	0.2
109.02843	0.8
109.99978	0.2
111.00761	2.2
113.02319	2.1
117.03371	0.3
119.04907	0.2
121.02811	0.6
123.00774	9.5
123.04417	0.4
124.01591	1.7
125.02337	38.6
126.02678	1.0
127.00278	1.0
133.02814	0.2
135.00739	0.1
135.04410	0.2
136.98729	1.4
137.02348	1.2
138.03159	0.4
139.00272	3.3
139.03897	0.5
140.01067	3.2
141.01866	1.5
143.03395	0.4
145.02832	0.3
146.58080	0.2
149.02377	1.1
151.00270	6.3
151.03883	0.7
152.00975	0.2
153.01823	0.7
154.99753	0.2
155.03380	0.2
161.02344	0.6
163.00217	0.2
163.03908	0.4
165.01831	1.6
166.02612	0.2
166.99806	1.1
167.03387	1.2
168.00569	5.7
169.01340	51.2
170.01717	1.7
173.02342	0.4
174.03183	0.1
175.03914	0.3
177.01904	0.4
179.03430	1.2
181.01363	1.1
181.05083	0.2
182.02167	0.2
183.02925	0.6
187.03940	0.2
191.03404	0.6
193.01361	4.3
193.05093	0.2
194.01865	0.2
195.02914	0.6
203.03476	0.3
205.01384	0.3
207.02942	0.7
211.02428	8.7
212.02834	0.3
223.02457	1.3
227.03503	0.3
229.01437	0.1
229.04985	0.4
235.02408	1.3
237.03999	0.4
241.03484	0.9
248.58400	0.1
253.03514	2.3
255.02922	0.4
256.03229	0.2
257.00885	0.2
257.04581	0.3
267.05005	0.2
271.04602	0.2
284.03259	0.4
285.03952	1.7
295.04575	3.0
296.05032	0.3
297.06226	0.3
300.99911	0.8
313.05649	15.0
314.06021	1.0
368.24277	0.2
373.91736	0.2
405.04639	0.5
421.07880	0.2
447.05499	0.4
464.05997	0.2
465.06711	100.0
466.07062	8.9
466.13831	0.3
578.32550	0.2
599.10284	1.4
600.10437	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38454	1.7
52.73493	1.7
56.09253	1.6
59.01246	7.9
60.99185	3.2
61.98706	44.4
69.35526	3.4
69.35863	18.7
70.46386	2.2
71.01253	8.5
72.99190	8.3
73.02802	2.7
75.00746	6.5
78.91759	6.4
78.95779	3.4
83.04895	2.5
87.00758	1.8
88.98672	13.0
89.02312	3.7
90.07328	1.9
92.00121	1.8
96.95901	22.1
98.19833	3.8
101.02326	5.2
125.02379	2.8
163.11107	2.9
165.12790	3.3
169.01410	3.0
183.13806	7.3
199.90044	1.8
207.10242	2.3
209.11772	85.7
210.12021	4.8
211.13348	100.0
212.13684	7.7
227.12794	13.7
235.08206	4.0
253.09227	8.2
323.41260	2.2
364.29050	2.1
447.22330	5.6
639.33246	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	749.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.6
59.92123	0.4
61.98708	1.9
65.35458	0.4
69.03334	0.3
69.39101	0.3
71.01251	1.3
71.57919	0.6
72.99184	7.5
75.00748	100.0
76.01067	1.0
80.02539	0.6
81.03312	0.6
83.04898	1.7
85.02830	0.9
87.00743	0.8
88.98693	1.5
89.02317	0.6
95.04906	0.4
96.95871	0.6
101.02325	1.3
107.01272	0.5
113.02333	0.9
123.00806	0.6
125.02317	1.3
130.29620	0.4
163.11159	1.2
165.12733	1.1
169.01375	1.8
171.10217	1.2
179.05363	0.4
209.11777	62.2
210.12071	3.5
227.12840	10.0
228.13072	0.5
235.08171	1.3
253.09247	3.8
445.20294	1.1
499.34677	0.4
749.35107	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	6.4
60.99177	4.5
61.98704	23.3
70.04835	9.5
72.99180	16.4
75.00749	6.9
83.04893	4.7
85.02819	2.4
88.98676	25.0
91.00237	2.1
96.95886	3.8
100.90411	1.8
101.02299	4.1
113.02330	2.8
114.72468	1.8
114.76550	2.0
152.24666	2.1
163.11122	4.6
165.12776	2.3
169.01332	2.7
183.13823	4.7
209.11772	100.0
210.12070	6.2
211.13347	98.6
211.15416	3.4
212.13657	7.7
227.12819	18.3
235.08203	3.8
253.09230	10.7
301.03580	2.3
445.20724	5.3
447.22235	7.3
544.72205	2.4
639.33795	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	749.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01579	0.7
60.99187	2.6
65.00197	0.7
71.01264	2.3
71.35369	1.2
77.52287	0.6
85.02828	1.4
88.98682	9.9
89.02347	2.5
96.95908	2.1
98.93491	0.6
101.02367	1.1
107.01317	0.8
109.02857	1.3
113.02336	1.4
117.11557	0.6
123.00764	1.0
125.02333	3.6
133.21040	0.6
150.03134	0.7
151.00298	1.4
155.07056	4.7
160.01549	1.6
161.04466	1.1
165.05511	0.9
168.00473	0.9
168.61476	0.6
169.01411	4.9
169.39355	0.7
175.04001	0.7
242.09457	1.8
247.02695	0.7
255.03069	1.9
257.11954	1.1
269.08148	1.2
269.20740	0.6
270.08835	3.1
271.02539	1.4
275.55930	0.7
285.04013	9.5
285.11194	4.3
286.04434	1.0
286.08408	1.2
298.08600	2.5
298.98383	0.8
299.02075	1.1
299.09320	3.0
300.02798	2.4
300.99997	3.3
301.03452	1.7
301.10696	1.2
310.08304	0.7
311.09409	1.2
313.10809	1.6
314.07941	4.1
325.10901	1.7
326.07956	1.1
326.11652	1.1
329.10266	11.1
340.13126	1.2
341.10269	16.4
342.10797	1.6
344.12656	20.5
345.13080	2.7
356.12643	7.2
357.13202	1.0
359.15002	75.0
360.15366	8.7
371.14990	52.9
372.15378	6.0
402.70633	0.7
455.19754	1.0
463.09094	3.7
494.07019	0.7
524.51404	0.7
749.14697	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.2
60.99180	20.1
61.98705	0.6
70.04140	0.7
70.04549	1.4
71.01254	0.7
72.99176	1.1
78.91101	0.3
85.02859	0.4
87.00745	1.4
88.00271	1.0
88.98679	100.0
89.02318	6.4
89.99043	0.8
94.09489	0.4
96.95893	0.6
109.06477	0.5
117.27072	0.4
125.02351	0.4
171.10257	0.4
193.09430	0.4
207.10204	1.3
209.11755	0.7
211.13321	3.6
225.11264	0.7
339.23511	0.4
365.92136	0.4
401.23178	0.6
461.20721	0.6
619.31000	0.6
637.32117	1.1
655.33380	0.8
709.79620	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01579	0.7
60.99187	2.6
65.00197	0.7
71.01264	2.3
71.35369	1.2
77.52287	0.6
85.02828	1.4
88.98682	9.9
89.02347	2.5
96.95908	2.1
98.93491	0.6
101.02367	1.1
107.01317	0.8
109.02857	1.3
113.02336	1.4
117.11557	0.6
123.00764	1.0
125.02333	3.6
133.21040	0.6
150.03134	0.7
151.00298	1.4
155.07056	4.7
160.01549	1.6
161.04466	1.1
165.05511	0.9
168.00473	0.9
168.61476	0.6
169.01411	4.9
169.39355	0.7
175.04001	0.7
242.09457	1.8
247.02695	0.7
255.03069	1.9
257.11954	1.1
269.08148	1.2
269.20740	0.6
270.08835	3.1
271.02539	1.4
275.55930	0.7
285.04013	9.5
285.11194	4.3
286.04434	1.0
286.08408	1.2
298.08600	2.5
298.98383	0.8
299.02075	1.1
299.09320	3.0
300.02798	2.4
300.99997	3.3
301.03452	1.7
301.10696	1.2
310.08304	0.7
311.09409	1.2
313.10809	1.6
314.07941	4.1
325.10901	1.7
326.07956	1.1
326.11652	1.1
329.10266	11.1
340.13126	1.2
341.10269	16.4
342.10797	1.6
344.12656	20.5
345.13080	2.7
356.12643	7.2
357.13202	1.0
359.15002	75.0
360.15366	8.7
371.14990	52.9
372.15378	6.0
402.70633	0.7
455.19754	1.0
463.09094	3.7
494.07019	0.7
524.51404	0.7
749.14697	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.1
60.99178	16.5
61.98705	3.4
64.27111	0.4
68.26912	0.5
70.32160	1.4
71.01263	0.6
72.99190	1.3
75.00739	0.5
78.95777	0.5
83.04918	0.5
85.02808	0.5
87.00757	1.3
88.00279	1.3
88.98679	100.0
89.02318	4.7
89.99029	1.2
96.95898	3.7
101.02306	0.9
109.06466	1.2
113.02293	0.5
125.02332	0.7
163.11177	0.7
169.01384	0.6
185.37451	0.4
190.33098	0.6
207.10164	3.0
209.11758	2.3
211.13322	5.2
225.11256	1.4
253.09167	0.6
300.86252	0.4
363.08765	0.5
401.23126	0.8
447.22311	0.6
625.03082	0.5
637.32050	1.9
655.33423	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90087	1.4
58.00464	4.6
59.01254	100.0
69.47327	1.5
71.01257	64.8
72.99187	4.9
73.02805	2.1
75.64757	1.5
80.89614	1.7
82.76829	1.6
83.01267	1.9
85.02827	7.0
87.00762	2.6
89.02319	78.3
95.01262	5.8
101.02327	41.6
105.09036	1.5
113.02336	31.0
116.92734	2.1
119.03390	39.3
120.78945	1.7
121.02823	4.1
122.03632	8.3
123.00756	3.1
125.02328	6.6
131.03389	4.5
136.01587	2.8
143.03423	6.7
149.02328	12.4
149.04443	1.6
150.03136	60.5
151.00281	4.5
151.03548	1.6
160.01685	2.0
161.04477	6.3
165.05482	50.5
166.05885	3.0
169.01343	6.7
179.05557	12.7
180.04268	3.5
195.06573	30.3
205.09422	1.6
209.11745	1.8
223.09656	1.7
229.01299	1.8
229.80592	2.2
257.11908	2.0
270.09061	4.0
285.11432	3.1
298.98404	2.3
299.98938	3.3
300.99887	14.3
301.03458	4.6
310.08401	2.0
311.08975	2.5
313.10849	3.0
325.10745	4.7
326.07840	3.0
338.60318	2.0
341.10376	14.7
356.12906	8.3
371.14972	33.9
372.15503	3.2
519.19775	2.1
632.06042	2.4
747.14923	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	745.5024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55428	0.4
54.39503	0.4
60.90536	0.4
63.27628	0.5
71.37031	0.9
74.67536	0.5
78.95775	34.7
79.95592	0.6
80.96387	1.3
96.96854	2.6
103.26107	0.4
121.27870	0.4
123.04688	0.5
150.97926	0.7
152.99486	39.1
153.99792	0.6
157.34995	0.4
164.98611	0.5
171.00545	2.7
185.87849	0.5
227.03169	4.6
245.04376	0.9
253.21706	25.8
254.22067	2.0
255.23286	3.1
256.23608	0.7
278.37299	0.5
279.23355	3.3
281.24847	100.0
282.25180	8.9
311.22150	0.6
417.24036	2.1
463.24741	0.9
491.27771	1.3
509.28830	87.4
510.29196	9.7
745.50244	22.6
746.50641	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	747.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.0
57.03318	1.3
58.00470	4.1
59.01252	100.0
69.56217	6.1
70.84795	0.9
71.01254	67.9
72.01574	1.0
72.99171	6.0
80.74989	0.8
83.01260	1.7
85.02818	11.4
87.00761	3.8
89.02319	76.1
90.02651	1.2
93.03339	3.3
95.01246	5.2
101.02326	40.0
113.01533	1.0
113.02332	25.2
119.03394	38.2
119.04251	1.9
121.02853	5.6
122.03618	8.8
125.02326	3.4
131.03378	4.5
136.01555	1.3
137.02304	0.9
143.03407	6.1
149.02357	15.1
149.04427	3.8
150.03139	40.9
151.00281	1.4
151.03601	1.8
160.01523	1.0
161.04456	5.6
164.04691	1.7
165.05487	31.5
166.05841	1.4
169.01379	4.6
169.59441	0.9
179.05592	8.4
180.04230	2.5
195.06564	25.5
196.06857	1.3
208.32578	0.9
223.09706	0.9
242.09540	1.1
270.08997	1.1
270.98978	1.5
273.00256	1.2
274.01236	1.4
275.01901	1.2
285.11221	2.7
291.09018	0.9
298.08350	2.0
298.98230	1.0
299.99051	1.1
300.99850	6.3
301.03494	2.4
307.52426	0.9
310.08289	1.1
311.09247	0.9
313.10825	2.4
324.09998	0.9
325.11029	1.5
326.07922	2.3
326.11542	1.4
341.10278	14.3
342.10648	1.6
356.12656	6.4
357.68250	0.8
371.14966	28.2
372.15329	1.9
397.05585	1.1
519.20184	12.4
520.20605	1.2
632.06671	2.1
729.13361	1.2
747.14478	1.7
747.28418	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	745.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.9
60.99183	18.3
61.98701	2.1
69.92922	0.5
71.56085	0.7
78.95776	0.8
87.00735	0.8
88.00270	1.6
88.98680	100.0
89.02320	6.6
89.99019	1.1
112.46187	0.5
125.02285	0.6
140.81853	0.4
152.99484	0.9
184.83043	0.6
186.90753	0.5
211.13301	0.9
223.16714	0.5
253.21637	0.8
281.24850	3.1
467.25790	0.5
497.21625	0.5
509.29074	2.9
745.49133	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91790	1.0
59.01248	13.8
61.98686	2.1
63.75384	1.0
67.86857	0.9
69.03326	2.7
71.01264	3.1
71.57269	1.4
71.57628	1.0
72.30571	1.0
78.95737	1.2
89.02322	1.7
91.63037	1.2
101.02315	2.5
109.06492	1.2
113.02263	1.4
118.47096	1.2
125.02311	2.3
152.99527	1.3
161.04417	2.1
167.10703	2.4
169.01271	1.6
179.05611	1.0
179.10640	1.3
179.14462	2.1
183.13808	5.5
193.12198	1.5
195.13857	6.6
205.12204	6.0
211.13338	100.0
212.13657	6.4
223.13341	71.7
223.15630	1.7
224.13657	3.9
235.08147	3.6
253.09283	6.1
281.24905	2.0
415.50525	1.2
429.21112	1.4
441.21414	1.9
447.22284	9.9
459.03583	1.0
459.22388	13.6
510.43112	1.0
517.18738	1.1
556.25812	1.1
579.42505	1.0
635.34167	3.2
653.35217	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	745.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.1
60.99179	18.7
61.98708	2.5
71.57020	0.8
73.02797	0.6
78.95785	1.2
87.00752	1.1
88.00272	1.5
88.98682	100.0
89.02314	5.4
89.99017	1.3
90.66294	0.4
96.58704	0.5
96.95885	1.2
98.15030	0.4
114.27516	0.5
125.02338	0.8
135.63268	0.5
148.03174	0.5
152.99530	1.7
169.01465	0.7
186.00801	0.5
206.58073	0.5
209.11778	0.9
211.13332	0.9
225.11241	0.6
250.12550	0.5
253.21867	0.5
281.24838	2.8
411.32486	0.6
509.28864	1.6
521.08435	0.6
624.64734	0.6
745.38525	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	11.5
71.01256	10.7
72.99192	1.0
83.01273	1.3
84.88962	0.7
85.02828	1.6
86.31633	0.7
87.00775	1.6
87.10893	0.8
89.02312	9.2
93.03334	2.7
93.65100	0.7
94.68908	0.7
95.01273	0.9
96.95872	0.8
101.02348	4.2
107.01235	1.1
107.29179	0.8
113.02341	3.5
119.03410	5.7
121.02843	5.5
122.03634	14.1
123.04439	1.0
124.01592	1.1
125.02318	2.3
125.77948	0.8
133.02846	2.3
134.23048	0.7
135.04483	1.8
136.01549	12.4
137.02370	2.3
137.74683	0.7
145.02881	2.2
147.04390	0.9
149.02345	18.5
149.06209	0.7
150.03140	93.2
151.00314	4.1
151.03937	12.3
152.04306	0.7
161.02426	1.9
162.03206	4.6
163.00330	0.8
164.04691	3.6
165.05492	100.0
166.02629	10.0
166.05809	3.0
169.01332	3.0
175.03975	1.6
177.05539	2.8
179.03543	0.9
179.05602	1.7
180.04222	6.9
181.04994	11.2
184.32140	0.9
190.06305	1.6
193.05066	1.0
195.06566	92.4
195.49408	1.1
196.06926	4.3
221.08261	0.8
229.05138	1.0
269.04507	1.1
270.98837	0.9
285.04135	10.7
297.03955	1.0
298.64862	1.0
299.99258	1.7
300.02490	1.0
300.99802	6.6
342.11163	1.1
357.09650	2.8
357.13474	6.6
369.13385	1.0
372.12122	2.2
373.12732	0.8
387.14536	26.5
388.14868	2.6
438.93039	1.0
459.09271	3.3
460.09644	1.1
502.89978	0.8
535.19568	8.2
536.19775	1.8
547.19861	1.3
553.21094	1.9
565.20093	0.9
583.21869	12.2
584.22437	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	745.272
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00461	2.1
59.01256	25.2
61.55463	1.1
65.01470	1.2
69.49229	1.4
69.49632	8.7
71.01252	20.2
72.99191	1.6
73.02808	1.7
83.01253	1.2
85.02839	3.7
87.00763	2.9
88.98710	1.3
89.02315	23.1
89.02830	1.6
93.03339	6.9
95.01270	4.6
96.95893	3.0
97.02803	1.5
101.02323	10.1
107.01306	4.9
108.02070	1.7
109.02911	1.8
111.00772	2.0
113.02322	7.6
118.47947	1.0
119.03393	10.2
119.04905	2.1
120.01220	1.6
121.02843	13.1
122.03629	16.8
123.00759	5.7
123.04419	2.1
124.01588	1.9
125.02348	14.0
132.18837	1.3
133.02872	2.7
134.03619	2.3
135.04422	6.9
136.01566	16.9
137.02339	3.2
139.00258	2.2
143.03413	1.5
145.02858	1.9
147.04430	2.4
149.02353	27.9
150.03134	100.0
151.00307	8.0
151.03949	18.1
152.01073	2.4
152.04436	1.3
153.01859	1.2
161.02330	1.6
161.04391	2.6
162.03174	2.3
163.00288	1.3
163.03900	4.4
164.04724	8.4
165.01842	2.2
165.05490	91.8
166.02655	11.9
166.05840	3.7
166.99765	4.1
167.03424	3.5
168.00429	1.5
169.01347	23.5
172.05183	1.2
174.03232	1.3
175.03934	4.6
177.01859	2.6
177.05475	2.2
179.03450	1.3
179.05490	3.8
179.07010	1.3
180.04214	6.3
181.04991	16.5
189.05504	4.2
190.06204	6.2
191.03432	1.8
195.06570	69.4
196.06952	3.4
201.01854	1.2
201.05501	1.6
211.25740	1.2
217.01201	1.4
221.00821	1.7
221.08176	1.3
224.47200	1.1
225.05429	1.8
227.03458	3.2
229.01305	1.9
229.05087	4.5
236.57445	1.1
245.01007	1.6
247.02562	1.7
255.02956	3.9
269.04593	2.2
271.06400	2.4
271.09375	1.2
275.01938	2.5
284.03235	2.8
285.04080	6.5
286.04419	1.4
297.04227	1.4
297.07724	1.3
298.98386	1.4
299.99066	3.3
300.99921	16.4
301.03156	1.9
315.05270	2.2
315.08554	1.2
323.09061	2.0
325.07101	2.7
329.10309	3.5
339.08786	6.7
342.11041	2.6
356.12610	2.5
357.09708	2.9
357.13480	7.7
369.13351	9.3
372.12146	3.3
373.13055	2.0
386.13953	1.5
387.14508	42.1
388.14777	4.2
452.03497	2.4
453.03699	2.8
459.09525	2.5
466.02563	1.3
505.18457	4.1
535.19720	54.8
536.20166	10.0
553.21173	1.2
565.21301	1.6
583.21844	25.6
584.22363	5.7
635.06525	1.2
745.13708	8.3
745.25793	1.7
746.14258	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71168	0.6
59.01251	6.5
65.12473	0.6
67.01790	0.7
71.01262	4.2
73.39360	0.6
83.01269	0.8
85.02850	1.4
87.00759	0.9
89.02325	5.6
93.03324	5.3
95.01293	0.7
101.02350	2.6
105.03282	0.7
107.01299	1.8
109.02855	1.3
111.00776	0.9
113.02341	2.4
119.03394	1.8
121.02839	11.6
122.02811	1.3
122.03637	15.9
123.00793	2.7
123.04432	1.4
124.01607	1.0
125.02349	5.9
133.02861	1.8
134.03612	0.9
135.04434	6.3
136.01561	17.7
137.02409	4.4
139.00331	0.7
139.03922	1.1
145.02875	0.8
147.04419	1.3
149.02351	30.2
149.05995	1.3
149.08449	0.7
150.03134	89.1
151.00288	5.4
151.03935	22.2
152.01022	1.0
152.04454	1.0
153.01846	0.7
154.02539	0.8
159.04449	1.0
160.05231	1.7
161.02359	1.0
161.06056	0.9
162.03154	1.8
163.03926	3.0
164.04674	7.2
165.05490	100.0
166.02629	13.3
166.05777	3.7
166.99777	1.3
167.03403	2.6
169.01344	8.8
170.01683	1.0
172.05280	1.2
173.02348	0.8
175.03937	4.8
177.01871	1.3
177.05508	2.6
179.07022	1.2
180.04185	4.5
181.04993	15.4
187.03888	0.9
189.05493	4.3
190.06271	5.8
191.03471	0.9
193.04982	0.9
195.06561	67.8
196.06926	3.0
201.05496	0.7
205.04933	1.2
205.08655	1.4
206.05872	0.8
227.03397	1.0
229.01355	1.1
229.05034	1.8
255.02936	1.5
263.58438	0.7
269.04785	0.7
271.06094	1.4
275.02106	0.9
282.05276	1.3
284.03134	1.5
285.04056	3.1
299.99207	1.7
300.99896	6.9
302.00296	0.8
315.08664	1.7
325.07043	0.8
326.11386	1.1
329.10257	3.0
339.08804	1.2
341.10382	1.1
342.11130	1.7
355.12103	1.1
356.12488	2.4
356.20660	0.7
357.09589	3.6
357.13400	11.3
358.09567	1.0
358.13690	1.2
369.13388	3.1
372.11929	3.7
373.12787	1.6
386.13589	2.2
387.14496	46.0
388.14874	5.5
452.02945	0.7
453.03824	1.1
459.09375	2.0
464.89307	0.7
472.14395	0.7
490.16147	0.9
505.18686	3.2
517.18323	1.1
535.19739	59.1
536.20020	7.8
553.20544	2.1
565.20795	2.0
583.21808	29.3
584.22351	6.1
745.13959	3.4
745.26215	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85839	0.2
59.01257	0.8
63.02272	1.6
63.26081	0.3
65.00195	0.7
66.06828	0.2
69.03308	0.2
69.36728	0.6
69.37131	2.1
71.01250	0.5
79.01768	0.3
83.01252	1.3
88.80458	0.3
91.01770	0.4
93.03337	1.7
95.01289	0.8
101.02330	0.4
107.01275	4.5
109.02861	0.9
117.03343	0.6
123.00766	1.5
125.02338	3.4
130.04160	0.3
131.04935	0.4
135.00798	0.5
137.02345	0.7
139.00249	0.6
143.04936	1.2
145.02864	0.5
145.06480	0.4
151.00273	4.9
153.01874	0.6
154.04166	0.5
155.04974	0.5
156.05748	0.4
157.06499	1.2
159.04433	1.7
163.00294	2.1
164.01042	0.5
165.01801	0.5
167.04922	0.6
169.01332	6.1
169.06519	1.1
171.04457	0.9
183.04402	0.5
184.05182	0.4
185.06044	2.7
187.03946	4.1
187.11153	0.3
189.05490	1.1
193.01341	0.3
195.04427	0.5
197.06001	0.8
199.03960	0.7
201.05530	0.9
211.02255	0.4
211.03978	1.7
212.04576	0.4
213.05508	2.3
214.02731	0.3
215.03513	0.5
223.03995	0.4
227.03438	2.9
229.05025	11.9
230.05380	0.7
239.03346	1.4
240.04214	0.6
241.05048	1.5
243.02948	0.3
255.03012	1.3
256.03699	1.2
257.04550	7.0
258.04941	0.5
267.03000	0.6
284.03210	2.0
285.04044	100.0
286.04373	7.3
300.99725	0.4
391.00928	0.3
459.11475	13.2
460.11597	1.1
593.14880	0.5
639.55157	0.3
745.16144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.3
61.98693	0.8
63.02265	1.6
65.00192	1.8
67.01746	0.9
69.03333	0.8
69.92908	2.4
71.01254	2.3
72.99168	1.0
73.02794	0.8
79.01785	0.6
83.01258	2.2
85.02830	1.3
87.00745	0.6
88.57374	0.4
89.02334	0.9
93.03342	3.1
95.01266	2.0
96.95876	1.9
97.02818	1.0
98.20461	0.7
99.00749	0.5
101.02327	1.8
107.01291	4.5
108.02039	0.7
108.05733	0.4
109.02822	1.0
111.00751	1.2
113.02316	1.9
117.03364	4.0
119.04922	11.9
121.02818	1.1
122.03634	0.6
123.00772	8.0
123.04436	0.9
124.01633	0.8
125.02349	13.2
126.02707	0.7
131.04918	0.5
132.02087	3.0
133.02844	1.1
133.06523	0.6
134.03627	3.7
135.00732	0.5
135.04434	0.8
136.98738	0.7
137.02321	1.3
139.00255	1.7
139.03905	2.7
140.01042	1.9
141.01811	1.2
143.04929	1.3
145.02869	20.0
146.03363	0.9
147.04388	0.6
149.02325	2.3
149.05980	0.9
150.03160	5.6
151.00279	6.5
151.03888	0.9
153.01884	1.0
154.04109	0.7
155.07027	1.2
157.06503	0.9
159.04443	1.6
160.01572	10.7
161.02347	0.8
161.04475	0.6
161.05928	0.9
163.00264	1.6
163.03943	10.0
164.00999	0.6
165.01868	0.9
165.05504	4.7
166.05690	0.4
166.99768	0.6
167.04996	0.6
168.00583	2.1
169.01350	17.3
169.06493	1.1
170.01701	0.8
171.04466	0.8
171.10156	0.5
173.02330	0.6
173.05869	0.5
175.02507	0.7
175.03929	8.1
178.02614	0.6
179.03439	0.8
179.07057	0.6
181.04984	0.5
183.02922	2.6
183.04340	0.6
185.06032	1.9
186.24915	0.4
187.03917	2.4
189.05441	1.0
190.99878	1.2
191.03398	0.6
193.01361	0.7
193.04991	3.3
195.04947	0.4
195.06543	2.6
199.03952	0.8
201.05522	1.4
205.05048	0.6
206.02180	1.6
207.02852	0.6
207.06595	0.5
209.11752	1.7
211.02263	0.7
211.03952	1.4
213.05531	1.2
214.02676	0.6
215.03502	0.6
227.03545	2.5
229.05048	6.0
231.03247	0.5
239.03452	1.6
241.04967	0.9
243.03020	0.8
247.06183	1.2
255.02972	1.6
256.03650	0.8
257.04553	4.1
273.00531	0.7
284.03299	1.6
285.04053	100.0
286.04364	7.6
295.04745	0.5
299.99112	1.0
300.99863	3.4
301.03180	0.6
307.08319	4.4
313.05804	2.4
315.05051	0.8
320.86484	0.5
335.96741	0.6
459.09351	74.3
460.09579	9.1
521.20367	0.9
548.19238	2.7
549.19531	2.1
593.01306	0.4
593.13062	1.0
615.24750	0.5
697.25256	2.1
745.25574	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	743.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.80877	22.3
71.57314	32.8
71.84115	22.3
78.95770	100.0
110.91956	22.8
152.99512	37.6
211.13361	32.0
251.57426	30.8
255.23331	82.0
277.21542	51.1
281.24777	50.3
743.46240	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06660	0.4
55.24311	0.4
56.45241	0.3
59.01266	1.8
61.98703	1.3
63.02274	1.5
64.58732	0.3
65.00188	1.0
67.01762	0.5
68.99728	0.5
69.03320	0.6
70.91692	0.5
70.92048	0.9
71.01262	2.7
72.99180	0.9
73.02803	0.5
75.00740	0.4
76.80884	0.4
83.01249	1.8
85.02821	0.7
87.00768	0.7
89.02312	0.7
89.16553	0.3
93.03352	3.0
95.01266	0.7
96.95885	1.6
97.02816	0.8
99.00736	0.5
101.02330	1.2
107.01282	5.5
109.02853	1.3
111.00758	0.6
113.02318	1.0
117.03365	3.0
119.01278	0.4
119.04060	0.7
119.04915	11.6
121.02799	0.6
123.00761	4.6
125.02341	17.4
125.05928	0.4
133.02847	0.4
135.00766	0.9
135.04445	0.5
137.02341	0.9
138.03078	0.4
139.00266	1.3
139.03923	0.8
140.01077	0.9
143.04944	1.7
145.02866	10.5
145.06403	0.4
146.03188	0.5
149.02301	0.7
150.03099	0.5
151.00270	5.8
153.01849	1.6
154.04129	0.6
157.06436	0.9
159.04485	1.9
161.02342	0.7
161.05911	0.8
163.00345	1.8
163.03926	11.8
164.00998	0.5
164.04346	0.7
165.01768	0.6
165.05525	0.6
166.99834	0.4
167.03387	0.7
167.04823	0.5
168.00609	1.0
169.01344	27.6
169.06525	0.9
170.01672	1.2
171.04323	0.5
171.10158	1.0
173.02516	0.5
173.05952	0.5
175.03979	0.8
185.06062	2.5
187.03938	2.6
189.05479	1.4
190.99690	0.4
193.01353	0.9
193.04993	0.5
193.64761	0.4
195.04500	0.6
197.06125	0.5
199.03864	0.5
201.05513	0.6
205.01587	0.4
205.04951	0.6
207.02866	0.5
209.11778	2.8
210.12148	0.6
211.02284	0.5
211.04025	1.7
213.05536	1.6
214.02708	0.7
225.11206	0.5
227.03531	2.3
227.12759	0.7
229.05034	7.1
230.05359	0.5
235.06119	1.0
239.03418	1.4
240.04160	0.7
241.04990	1.3
255.02946	1.1
256.03415	0.5
257.04559	4.8
267.03070	0.5
273.00351	0.5
275.01886	0.4
284.03336	2.3
285.04044	100.0
286.04401	8.1
295.04602	1.2
299.99146	1.5
300.99960	1.9
301.03006	0.5
307.08133	2.0
313.05441	0.8
315.05072	1.1
343.08932	0.4
381.06143	1.6
413.08875	0.7
459.09335	40.5
460.09692	4.9
593.13190	1.0
713.13507	1.3
745.15472	0.6
745.28577	0.6
777.20313	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02645	0.9
59.01259	6.6
61.83591	1.0
61.91893	0.8
69.31393	5.6
69.31818	3.4
71.01245	4.4
73.02795	1.1
80.02553	1.6
81.03352	1.2
83.04896	2.4
86.17392	0.8
89.02320	3.0
97.28282	0.7
101.02341	5.3
113.02313	2.7
114.30169	0.8
115.76071	1.0
122.20292	0.9
125.09640	1.8
126.19685	0.8
145.04976	0.9
157.21550	0.8
161.04457	1.4
163.11203	2.7
165.12767	2.6
171.10178	3.2
191.10677	0.8
201.11269	41.8
202.11649	1.3
207.10225	1.2
209.11778	89.8
210.12140	4.7
225.11211	2.0
226.11769	1.3
227.12874	11.5
235.08243	6.7
246.34755	1.0
253.09271	15.0
253.21465	1.1
277.21716	100.0
278.22089	11.4
437.20056	1.2
445.20941	1.1
446.20853	0.9
461.32751	1.2
581.25336	0.9
590.76953	1.0
616.17133	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83306	0.6
59.01250	41.1
60.01571	1.3
62.57087	0.6
65.26054	0.6
68.41129	0.7
68.68874	0.7
69.86173	4.0
78.95779	38.8
85.44766	0.7
96.96837	2.6
102.58179	0.7
107.07088	0.6
113.14717	0.6
134.98448	0.9
141.01591	30.2
145.74110	0.6
150.97917	1.0
152.99490	42.4
171.00493	3.5
188.98499	2.9
217.00319	0.8
223.01949	4.4
227.03180	6.1
232.97491	23.9
233.97746	2.1
245.04175	1.5
253.21701	30.1
254.21997	2.1
255.23276	8.1
275.20212	2.5
277.21719	76.7
278.22073	5.4
279.23282	1.5
281.24945	2.3
305.02304	2.4
314.97809	6.6
396.98193	3.5
413.21155	2.4
468.75656	0.8
478.98792	0.8
483.27185	6.7
487.24963	1.4
505.25723	100.0
506.26050	11.0
741.34949	1.5
741.47186	20.2
742.47412	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	741.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.4
58.55537	0.5
59.01254	2.9
68.49506	0.4
71.01250	3.1
72.99195	0.4
73.02834	0.6
78.95772	1.2
80.02547	0.9
81.03319	1.1
83.04904	3.9
84.02028	0.8
85.02835	0.6
87.00774	0.5
89.02317	1.6
91.61597	0.4
95.04881	0.5
101.02348	2.6
111.08038	0.6
113.02309	1.4
113.09579	1.0
119.03379	0.7
125.09623	0.5
135.08083	0.8
138.24945	0.4
144.82243	0.5
152.99501	1.3
161.04453	1.1
163.11200	2.8
165.12758	1.8
167.10629	0.4
169.12231	1.0
171.10165	0.9
179.14262	0.8
181.12218	0.5
185.11786	1.0
191.10678	0.8
195.13853	4.8
197.11749	2.1
198.12129	0.7
209.11769	100.0
210.12108	5.0
211.13396	3.2
212.13773	1.9
213.11293	1.4
213.13956	0.7
227.10751	0.8
227.12866	10.2
228.13171	0.7
230.15614	0.6
235.08249	2.1
253.09254	11.1
254.09663	0.9
277.21722	8.5
278.22137	0.5
289.38794	0.5
291.19705	0.8
292.20074	0.6
293.21329	1.9
294.21591	1.1
295.22769	46.8
296.23148	4.0
309.20514	1.9
310.21155	0.8
311.21317	0.4
343.03503	0.4
367.09195	0.5
401.78403	0.5
445.20709	1.1
505.25375	1.0
666.67352	0.4
669.59186	0.5
741.43219	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.7
57.52314	0.9
59.01257	10.3
60.68764	0.9
61.32304	0.7
71.01260	6.2
71.56924	1.3
71.57282	0.8
73.02800	2.0
78.95772	1.3
83.01257	1.1
83.04904	2.2
85.02802	1.9
87.00734	2.3
89.02310	3.2
96.95895	14.5
97.06494	4.6
98.95466	5.5
98.96326	1.5
99.00760	2.4
101.02309	5.0
111.08010	4.8
113.02319	2.5
119.03374	0.9
119.85737	0.8
125.02333	0.9
136.16661	1.0
139.01991	1.0
151.11209	17.1
152.99442	1.7
161.04416	1.3
167.36684	0.9
169.12268	100.0
170.12578	3.8
171.10146	1.2
179.05458	1.1
185.11743	1.6
195.10112	1.6
197.11777	19.1
198.12123	1.2
209.11766	5.0
210.12082	1.2
211.13460	5.3
213.11263	13.7
214.11615	0.8
225.15002	0.9
227.12776	1.4
235.08121	1.8
253.09206	5.7
253.21454	1.1
263.20245	2.0
265.11118	0.9
277.21606	4.1
279.19638	1.1
291.19702	3.4
293.21207	1.1
294.21524	0.9
295.22205	1.4
309.20782	10.1
310.21188	1.2
431.18918	2.0
449.20288	9.8
503.67651	1.2
505.25574	3.0
741.40662	87.1
742.28729	1.6
742.41205	16.8
742.54291	0.7
746.50085	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98198	0.6
52.54767	0.8
57.03312	1.9
59.01250	9.2
61.98711	0.8
69.03320	1.5
71.01263	6.0
73.02814	1.7
77.36095	0.8
78.95781	1.5
83.01263	1.4
83.04893	2.5
85.02819	1.9
86.64845	1.0
86.94225	0.8
87.00741	1.7
89.01836	0.8
89.02306	4.1
95.04879	1.1
95.80523	0.8
97.02822	2.0
97.06462	5.5
98.19755	1.8
101.02343	3.9
111.08034	2.5
113.02312	2.3
117.92767	0.9
125.09602	2.0
133.10126	1.4
151.11192	15.0
152.99501	1.0
161.04530	0.9
165.12755	1.1
169.12262	100.0
170.12570	4.3
171.10168	1.4
179.05486	1.2
195.10193	2.8
197.11763	15.1
198.12057	0.9
199.13354	1.0
209.11743	5.2
210.12032	0.8
211.13327	3.2
212.13579	0.9
213.11275	13.7
227.12770	1.6
235.08185	2.9
253.09317	5.7
277.21765	1.6
291.19675	6.9
293.21109	1.1
309.20776	8.6
310.21091	0.8
327.21844	1.5
392.04474	1.1
431.19418	4.2
432.20056	0.9
449.20361	9.6
450.20416	1.0
505.25409	1.3
643.33838	1.1
723.40503	1.2
741.40686	95.1
742.41022	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	741.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	21.9
60.99187	3.3
61.98707	15.8
66.13515	1.9
71.01252	24.8
71.56686	3.9
72.67873	2.1
72.99154	2.9
78.95750	3.8
80.91581	3.7
81.03347	3.0
82.87766	2.1
82.95293	83.6
83.02386	30.8
83.04894	3.9
84.00777	2.8
85.02814	3.5
87.00784	3.4
88.98685	10.9
89.02299	5.4
90.21342	2.2
96.95892	6.7
97.02818	5.3
99.00765	3.6
101.02330	6.7
109.06463	21.0
113.02358	4.0
115.03918	2.1
119.03385	2.6
125.02366	3.4
135.08022	2.1
142.02544	2.5
152.99474	4.1
163.11212	11.0
169.01352	4.5
171.10153	4.1
181.12297	4.1
183.13821	8.1
189.09137	2.4
197.11729	5.7
201.11148	3.0
207.10196	66.2
209.11781	27.0
210.12131	3.8
211.13336	100.0
212.13670	8.8
225.11272	45.0
227.12823	3.3
233.11568	7.9
234.11877	4.0
235.08266	4.3
253.09241	14.7
277.21652	6.4
295.18979	3.5
357.26501	4.3
383.22391	3.6
391.24921	2.7
401.23328	9.1
419.24249	4.0
461.20425	15.7
504.82794	2.9
505.25684	10.9
637.32306	8.6
655.33398	21.2
656.33844	5.5
741.44611	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	740.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08415	0.2
57.03344	0.3
59.01247	2.9
61.98702	100.0
65.04740	0.2
66.92190	0.2
67.42435	0.2
69.03310	0.3
71.01258	2.1
71.57059	0.3
73.02825	0.6
83.04894	0.3
85.02850	0.4
87.00771	0.5
89.02312	1.5
97.02826	0.3
97.06454	0.2
101.02335	1.4
104.45830	0.2
111.08046	1.2
112.08395	0.2
113.02364	0.7
116.92741	0.3
119.03415	0.4
125.02366	0.4
133.04919	0.3
143.03447	0.4
145.04961	0.2
159.61646	0.2
161.04459	0.5
165.12808	0.4
169.12292	0.7
171.10231	0.3
183.13840	1.6
184.14227	0.7
185.11777	0.2
193.12196	0.3
195.13890	0.4
197.11757	5.3
198.12128	2.2
199.13371	0.7
209.11765	5.5
210.12106	1.1
211.13333	25.8
212.13676	10.0
227.12852	1.2
228.13277	0.5
235.08160	1.6
236.08484	0.6
253.09222	4.1
253.11501	0.3
254.09566	1.2
263.20148	0.3
275.20270	0.4
277.21820	0.5
279.23376	0.6
280.23627	1.2
281.24051	0.3
282.24576	0.3
285.69016	0.2
291.19675	1.9
292.19983	1.5
293.21234	1.6
294.21512	1.2
295.22827	1.7
304.24139	0.2
309.20667	5.1
310.21024	4.2
311.21371	0.3
397.13754	0.4
398.14014	0.7
399.14111	0.9
400.14456	0.4
416.15271	0.4
417.15366	0.3
418.15195	0.3
447.22491	0.7
448.23184	0.4
505.25815	0.3
770.13983	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	3.4
59.86103	0.3
67.17542	0.3
67.41173	0.3
71.01256	4.0
71.56844	0.5
73.02816	0.3
75.09549	0.3
78.95785	3.6
80.02554	1.2
81.03333	1.4
83.01289	0.5
83.04892	4.8
83.61062	0.3
84.02040	0.5
85.02837	0.5
86.81605	0.3
89.02312	1.3
91.93906	0.4
95.04901	0.8
96.96817	0.4
101.02342	2.3
109.06486	0.6
111.04484	0.3
112.26207	0.3
113.02322	1.4
119.03370	0.4
125.05975	0.6
135.08076	0.6
147.11713	0.4
152.99492	3.9
159.98645	0.3
161.04474	1.0
163.11227	3.7
165.12737	1.9
171.10194	3.5
181.12318	0.7
191.10649	1.1
199.13431	0.4
202.35869	0.3
202.40160	0.3
207.10242	1.2
209.11772	100.0
209.74190	0.4
210.10289	0.5
210.12119	5.1
225.11305	1.3
227.12851	8.6
235.08191	0.9
253.09271	6.8
253.21718	0.7
254.09714	0.4
255.23210	0.5
277.21805	1.7
283.10199	0.3
293.24866	52.9
294.25156	5.3
311.22211	0.3
374.77274	0.4
399.14343	0.7
445.20670	0.8
453.15350	0.4
485.17899	0.8
503.19315	0.7
596.75055	0.4
635.35004	0.4
739.40863	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39961	1.0
59.01248	5.2
71.01263	4.9
78.95781	6.1
80.02582	1.0
83.04889	2.5
84.47320	1.0
85.02866	1.0
87.00791	1.1
89.02330	1.4
94.11594	1.2
98.19824	2.2
99.04557	1.0
101.02338	3.1
113.02349	1.5
140.19339	1.0
152.99484	6.9
161.04509	2.5
163.11259	1.6
171.10170	6.4
181.12346	1.7
199.32991	1.0
201.11232	1.3
207.10216	3.7
209.11783	63.8
210.12100	4.3
211.13330	10.0
225.11304	4.2
227.12875	7.5
235.08206	4.2
253.09253	10.0
269.31311	1.2
277.21756	12.7
293.24875	100.0
294.25296	7.6
322.06708	1.1
485.17667	1.9
503.19327	1.5
635.35010	1.5
706.90723	1.3
739.41400	3.5
743.91974	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.4
57.03325	0.3
59.01255	2.7
71.01256	1.8
80.02561	0.7
81.03336	0.9
81.06940	0.2
83.04901	4.0
84.02019	0.4
85.02827	0.4
87.00774	0.5
89.02310	1.7
95.04926	0.6
101.02341	2.1
107.03755	0.3
111.08057	0.2
113.02337	1.5
115.30642	0.2
116.48001	0.2
119.03396	0.5
125.05934	0.5
133.04968	0.2
135.08051	0.6
143.87032	0.3
145.04955	0.3
146.97389	0.3
161.04489	0.9
163.11206	2.8
164.76959	0.2
165.12785	1.9
171.10153	0.8
179.14276	0.5
180.30147	0.3
181.12267	0.6
191.10684	0.6
195.13840	2.6
195.16928	0.2
196.14490	0.3
209.11769	100.0
210.12094	5.2
211.13344	1.0
223.13361	2.4
227.12848	9.9
228.13301	0.7
235.08170	2.3
243.98529	0.3
253.09251	9.9
253.11900	0.5
254.09573	0.4
256.13098	0.6
275.20163	3.2
293.21216	35.5
294.21567	3.0
315.69745	0.3
445.20724	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24163	1.6
59.01249	13.1
66.78963	1.6
71.01252	24.2
73.02805	3.9
77.67621	1.7
85.02806	3.3
87.00729	2.5
88.54790	1.8
89.02321	4.9
97.02843	4.0
99.00762	10.8
101.02346	4.1
109.06470	2.4
113.02290	4.4
125.09593	6.0
163.11217	8.5
169.12271	2.7
171.10185	36.3
179.05453	2.4
179.10596	2.2
181.12263	14.8
185.11754	2.4
197.11760	3.0
197.53314	1.7
199.13365	24.1
201.11227	7.3
207.10211	30.8
208.10507	2.2
209.11748	2.9
211.13287	8.7
211.97815	2.2
225.11272	63.6
227.12888	17.8
235.08182	5.5
243.12389	10.6
253.09218	14.7
277.21722	100.0
278.21945	9.2
291.19595	4.5
293.21118	11.9
322.11203	1.8
336.31470	1.7
461.20297	10.0
463.21771	3.5
721.41412	8.0
739.42737	73.6
740.43048	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	739.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98547	1.5
52.98815	1.6
55.01736	1.3
59.01255	13.2
70.44584	3.6
71.00897	1.4
71.01239	9.8
71.04911	1.9
73.02811	3.0
78.95767	1.5
83.04914	1.7
85.02856	2.2
85.95412	1.4
86.01683	1.3
87.00734	2.4
88.21126	1.3
89.02312	4.6
97.02809	2.0
97.06438	2.7
99.00749	14.0
101.02326	6.4
109.06474	3.0
113.02325	3.4
125.09590	4.6
127.11163	2.4
128.08794	1.3
161.04507	3.4
161.09618	1.5
163.11192	8.6
169.12091	1.7
171.10187	33.4
181.12285	9.5
181.98622	1.4
183.10233	1.3
185.11707	1.9
195.13768	2.1
197.11771	2.6
199.13321	10.9
201.11214	5.1
207.10216	28.4
209.11812	3.6
211.13287	6.2
215.12932	1.5
223.13318	1.8
225.11293	52.9
226.11621	2.6
227.12846	8.4
235.08255	4.9
243.12318	6.8
253.09210	12.1
275.20105	2.5
277.21719	100.0
278.21927	8.9
291.19583	8.1
293.21201	16.6
443.19296	2.7
461.20047	8.0
686.53040	1.7
721.41498	6.1
739.42639	65.9
740.43079	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	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	0.8
59.01251	7.9
61.01009	0.8
62.89147	0.9
70.31212	1.7
70.31633	2.7
71.01256	52.6
71.04912	0.9
72.99180	0.9
73.02824	3.5
83.01236	1.3
85.02829	1.8
87.00750	2.9
89.02311	1.5
97.02834	1.9
97.06499	0.9
99.00771	1.3
100.85419	0.8
101.02316	3.5
103.17471	0.8
109.06461	4.0
111.00743	1.8
113.02327	3.5
118.50881	0.8
125.02355	0.9
125.09614	2.7
127.11169	1.6
128.85031	0.8
135.08076	1.2
139.07578	1.0
143.03375	1.2
145.04930	1.4
155.10695	1.9
161.04422	1.4
163.11183	4.2
169.95161	0.8
171.10191	22.7
181.12242	2.3
185.11754	2.7
189.09087	1.3
199.13364	3.1
201.11253	18.0
207.10204	16.2
208.10701	1.0
215.12842	1.4
225.11279	22.2
226.11505	1.6
235.08180	5.0
243.12370	2.3
253.09299	9.5
269.10840	0.9
277.09256	2.1
277.21729	100.0
278.22015	6.9
295.10294	1.7
443.19016	1.8
461.20279	3.4
477.16400	0.9
491.84650	1.0
555.31055	1.2
721.42114	2.4
739.42981	10.2
740.42249	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.5
58.42027	0.5
59.01247	5.5
61.98709	0.5
69.03333	0.6
71.01247	3.8
71.04878	0.5
80.02541	1.0
81.03330	1.0
83.04890	3.6
85.02821	1.0
89.02323	2.9
95.04900	0.5
101.02317	3.2
109.06493	0.6
113.02322	1.7
118.15798	0.5
119.03403	0.9
127.58215	0.5
129.22003	0.4
140.54219	0.4
145.04927	0.5
161.04469	1.8
163.11197	3.1
165.12764	2.5
167.10640	0.6
171.10126	0.8
174.52544	0.5
179.14293	0.8
181.12245	0.8
183.13785	0.6
191.10774	0.9
195.13870	6.9
196.14471	0.5
204.72801	0.5
209.11772	100.0
210.12080	4.3
211.13290	2.1
216.36778	0.5
223.13338	5.1
223.56279	0.5
227.12839	11.2
228.13332	1.3
229.35875	0.5
235.08173	1.8
253.09258	17.6
254.09329	0.6
256.13147	1.0
260.11279	0.6
275.20187	7.4
276.20425	0.7
293.21228	93.2
294.21573	7.7
303.70682	0.5
449.75452	0.6
461.37445	0.6
503.33609	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	14.7
67.47111	2.0
68.99677	2.2
70.90679	4.2
71.01254	86.3
73.02813	5.7
76.98476	1.7
78.95765	3.8
83.04899	2.0
85.02807	4.2
87.00758	3.7
89.02304	6.3
95.01276	2.4
95.04922	2.3
97.02852	2.8
97.77739	1.8
99.00765	2.9
101.02347	8.9
109.06497	10.3
111.04366	2.6
113.02335	5.1
125.09613	4.4
127.11152	5.9
135.08128	2.1
139.11221	2.1
155.10678	4.0
161.04437	6.4
163.11174	8.3
171.10178	54.5
172.10490	2.6
181.12260	5.6
185.11758	7.8
189.09160	2.5
197.11702	3.7
199.13373	10.4
201.11253	49.0
207.10211	38.6
215.12897	2.8
225.11264	58.6
226.11610	2.0
235.08173	2.8
235.64517	1.9
243.12306	6.3
253.09296	18.2
277.21710	100.0
278.22144	7.7
279.23169	3.0
293.21347	2.5
364.62256	2.4
443.18759	2.8
461.20108	10.8
479.21472	3.4
721.41418	6.2
739.42865	17.8
740.42883	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11610	0.8
57.03295	0.9
59.01250	2.0
61.98388	1.4
61.98701	27.0
63.02254	1.5
63.49725	0.9
63.99111	1.1
65.00178	3.1
71.01244	1.7
73.02808	1.1
80.96377	3.9
83.01236	1.5
83.02332	1.0
88.98676	2.4
89.02285	1.1
90.40664	0.9
94.98008	1.0
98.19819	1.9
101.02319	1.4
101.42917	0.7
107.01266	5.2
108.02064	1.3
109.02823	2.6
111.73152	0.8
121.02814	2.5
123.00764	1.6
125.01478	1.0
125.02311	5.5
135.00784	1.1
145.02824	1.0
148.01532	1.9
151.00273	11.8
155.06995	2.4
163.00229	3.2
164.01071	1.2
169.01407	5.8
178.99783	7.1
187.46700	0.9
199.03813	2.8
209.11679	3.0
211.13278	1.3
215.03401	1.8
216.04231	1.3
225.00743	1.2
226.02612	7.0
227.03458	7.4
243.02977	24.9
244.03313	1.9
245.04292	1.0
254.02185	7.2
255.02992	28.6
256.03372	1.2
271.02484	100.0
272.03000	7.5
273.03500	0.9
279.23083	0.9
283.02338	1.4
299.01978	1.8
300.02759	96.5
301.03458	35.0
302.03702	1.8
371.24176	1.3
445.07468	1.0
463.08969	7.4
524.57050	1.1
583.14539	30.0
584.14740	3.8
601.15320	3.0
738.33228	1.3
739.21991	49.6
739.32281	4.4
740.22595	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	739.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.1
61.98705	25.2
63.02272	0.9
63.99117	0.8
65.00192	2.1
71.01241	1.6
71.57677	1.2
71.58044	0.9
78.95752	1.9
80.96388	5.1
83.01241	1.5
83.02320	0.9
87.00778	0.9
88.98653	2.7
91.01733	0.9
93.03339	0.8
94.97927	1.6
96.95860	1.4
107.01273	5.5
108.02020	1.2
109.02821	1.8
113.02301	0.8
116.92715	1.0
117.03457	0.9
121.02885	1.5
125.02334	4.2
148.01546	1.1
151.00282	10.5
155.07019	2.0
159.04219	1.2
161.02301	1.1
161.04427	1.0
163.00217	2.4
164.01018	0.9
168.00505	0.9
169.01321	6.4
178.99852	6.5
184.05359	0.9
186.24147	0.8
187.03886	1.1
188.04590	1.0
198.03194	1.0
199.03862	2.8
203.03427	1.3
204.62326	0.9
209.11763	2.8
211.03831	1.5
211.13213	1.0
215.03481	1.0
216.04221	0.9
225.00623	1.5
226.02696	6.0
227.03374	5.5
243.02945	22.2
244.03471	1.4
254.02249	6.0
255.00258	1.3
255.02962	26.8
256.03372	1.8
271.02478	100.0
272.02994	6.8
299.01965	1.5
300.02734	93.2
301.03436	33.9
301.06927	1.7
302.03809	2.0
343.04224	1.1
445.07336	1.1
463.08774	6.7
464.08447	0.9
583.14484	34.7
584.14868	3.0
601.15668	3.2
694.44000	1.0
739.22089	51.2
739.32465	4.4
740.22711	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	739.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30914	0.5
59.01250	1.7
61.98696	5.2
63.02276	0.9
65.00212	0.9
65.24286	0.5
69.26911	6.1
71.01274	1.4
72.09989	0.5
74.13935	0.4
79.95624	0.6
80.96401	2.0
83.01272	0.9
85.02904	0.5
86.18324	0.5
88.98693	0.5
95.01254	0.8
96.95908	2.3
107.01278	2.4
108.02078	1.9
111.08926	0.5
123.00755	1.1
125.02325	1.6
135.00757	1.1
147.04431	0.6
148.01602	1.7
151.00291	7.7
155.07025	1.7
163.00275	1.2
164.01112	0.7
169.01363	3.4
171.04459	0.8
173.02342	0.6
175.03908	0.7
178.99777	4.3
185.02434	0.6
199.03957	3.3
199.74126	0.5
201.01819	0.9
209.11757	1.3
211.04024	0.7
215.03366	1.6
216.04103	0.7
226.02649	2.1
227.03430	4.9
242.02203	0.7
243.02965	13.2
244.03627	0.8
254.02187	1.9
255.02975	29.9
256.03329	1.9
258.08328	0.5
271.02466	76.8
272.02905	6.8
299.01959	18.8
299.05356	0.9
300.02731	100.0
300.99863	1.3
301.03372	22.2
302.04102	0.9
365.34799	0.5
456.27966	0.6
495.36853	1.7
583.14679	8.0
584.15173	1.1
601.15735	6.1
602.16388	1.0
739.22266	38.8
740.22626	7.1
753.65668	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11996	1.2
54.06331	1.1
55.01747	1.4
57.03316	4.6
59.01250	19.6
61.98704	74.1
69.03346	1.7
71.01253	22.6
71.44049	2.8
73.02809	4.7
78.95753	1.4
79.95599	3.0
80.91541	1.2
80.96397	4.7
81.31095	1.1
83.01249	2.4
83.04898	1.9
85.02843	6.4
87.00751	8.5
89.02315	5.9
95.01281	1.8
95.04903	1.2
96.95882	4.4
97.02813	2.4
97.06475	5.2
99.00766	2.5
101.02313	13.4
113.02335	6.4
122.06006	3.4
123.08014	3.2
125.02317	4.5
125.09617	29.5
126.09927	1.3
145.05013	1.5
152.79419	1.2
161.04468	2.2
163.11169	1.3
169.01355	2.9
171.10161	1.8
172.07579	2.1
172.13565	1.6
197.11661	1.5
202.16006	1.9
205.14197	1.4
207.10222	1.9
209.11810	14.3
210.12056	2.2
211.13339	9.0
216.17609	2.5
227.12836	2.7
230.15471	1.9
231.09972	2.2
233.11551	5.4
235.08206	3.5
244.17030	25.6
249.11023	2.6
253.09251	1.7
258.98633	1.2
270.18594	15.3
296.16510	3.8
314.17642	4.9
330.35931	1.2
352.26498	2.8
370.27582	5.7
396.25253	4.8
396.29520	2.8
414.26328	9.0
415.26593	1.2
420.50632	1.4
422.26788	2.5
432.27353	11.9
440.28079	10.7
441.28543	1.9
458.29218	15.5
459.29297	2.7
476.29892	2.7
676.36658	6.2
694.34387	53.8
695.34558	8.1
720.36548	3.2
738.37109	100.0
739.37842	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	738.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.6
61.98703	100.0
69.20021	0.1
70.70067	0.2
71.01249	1.3
72.01582	0.3
72.99218	0.1
75.00758	0.4
79.17666	0.2
83.01286	0.2
87.00779	0.2
89.02316	0.9
90.02657	0.2
90.51267	0.1
93.22202	0.2
97.02821	0.3
100.93000	0.1
101.02304	0.9
102.02657	0.2
113.02333	0.3
119.03404	0.3
123.00782	0.1
125.02338	0.3
143.03391	0.2
161.04424	0.2
163.11328	0.2
198.62224	0.2
207.10307	0.3
209.11757	1.7
211.13422	0.4
227.12868	0.3
235.16995	0.2
237.08850	0.2
253.09431	0.4
275.20209	0.2
277.21661	1.6
278.22061	1.6
279.22391	0.9
280.22595	0.2
291.19775	0.2
293.21268	0.7
297.24399	0.2
397.13528	0.7
398.14008	1.1
399.13913	1.5
399.99265	0.2
400.14261	0.8
415.14648	0.3
416.14761	0.3
417.15228	0.7
418.15506	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.5
57.03320	2.3
59.01256	16.8
60.99178	1.8
61.98706	100.0
67.40049	1.4
69.03304	1.7
71.01259	21.0
71.33914	2.9
73.02827	4.6
78.98466	1.5
79.95616	10.6
80.96397	19.2
83.01276	2.0
83.04914	2.3
85.02836	7.3
85.99949	1.9
87.00761	5.5
89.02312	6.6
91.03897	1.5
94.97964	2.4
96.95892	12.3
97.06471	5.1
101.02333	10.6
103.80392	1.5
113.02349	7.3
122.06029	4.2
123.08055	3.1
125.02333	2.1
125.09624	34.6
126.09956	2.1
145.04991	2.5
161.04439	2.8
164.98549	2.4
169.01357	2.1
169.08542	1.5
187.09805	1.4
209.11790	7.6
211.13345	4.2
216.13794	1.4
216.17552	1.9
220.21448	1.9
225.00743	3.8
229.14742	2.3
230.15451	2.2
233.11536	1.6
235.08205	4.5
244.17033	18.8
270.18652	20.3
288.16306	2.1
288.19653	2.2
296.16730	1.8
301.00055	1.7
314.17636	6.4
352.26749	2.9
370.27576	6.5
396.24884	3.4
396.29526	3.4
414.26218	7.5
422.27142	5.0
432.27408	10.6
440.28091	13.7
441.28348	2.3
458.29053	19.9
476.30252	4.1
487.60101	1.6
494.17010	1.6
581.42920	1.5
608.28168	1.8
676.36780	11.0
677.37360	2.4
692.30615	2.4
694.34503	59.5
695.34918	9.5
720.36163	5.6
738.37329	73.9
739.37830	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	737.5185
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48661	0.3
59.01253	13.5
61.53990	0.3
81.03336	4.6
83.04899	13.4
98.20542	0.9
116.26781	0.3
125.07082	0.8
143.08183	0.3
147.35927	0.3
169.01196	0.3
207.14955	1.1
224.17589	2.0
225.16043	11.3
226.16350	0.7
251.13896	0.3
260.33972	0.3
260.72894	0.3
297.75406	0.3
300.99493	0.3
309.21771	0.9
317.85727	0.3
324.26489	0.5
333.22891	0.5
341.29333	0.8
349.63464	0.4
351.23950	0.5
367.27118	1.2
433.31693	1.0
450.34515	1.3
451.32864	6.4
452.32779	0.6
550.43073	0.8
559.40045	0.5
659.48718	1.2
677.49713	100.0
678.50018	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	737.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86739	0.3
52.55856	0.4
57.03320	0.8
58.00460	0.4
59.01252	6.1
61.98709	2.1
69.03317	0.5
70.65377	0.3
70.86244	0.6
70.86580	0.4
71.01262	3.5
71.04897	0.8
73.02814	0.7
80.02547	1.5
81.03339	1.3
83.01227	0.5
83.04906	4.7
83.59972	0.3
84.02035	0.6
85.02825	1.5
87.00764	0.6
89.02319	2.8
93.03331	0.6
93.05669	0.4
95.01266	0.5
95.04903	0.9
96.36789	0.3
97.02831	1.0
97.06454	0.6
101.02320	3.5
109.06479	5.9
111.08059	3.7
113.02323	1.8
119.03391	0.8
121.06433	0.7
123.04378	0.5
125.02351	0.5
125.09607	0.6
135.08055	1.3
143.03368	0.4
145.04961	0.7
161.04475	1.4
161.09703	0.5
163.11206	5.8
165.12766	1.7
167.10681	0.7
171.10181	1.2
177.12767	0.7
179.05473	0.5
179.10689	0.8
181.12262	1.3
188.43192	0.3
189.09052	0.5
191.10719	0.9
195.13853	3.6
196.14038	0.4
197.11784	0.4
207.10204	14.2
208.10580	0.7
209.11775	100.0
210.12106	6.4
211.13480	1.6
223.13409	0.9
225.11305	6.7
226.11545	0.4
227.12851	12.8
228.13347	0.7
235.08218	3.4
247.20714	1.2
253.09258	11.9
254.09743	0.5
273.18567	0.9
275.20166	0.9
291.19672	51.0
292.20041	4.2
293.21237	12.3
293.24472	0.8
294.21606	0.9
329.21252	0.4
389.50818	0.4
443.19284	0.9
445.20673	1.2
461.20190	2.1
483.31149	0.7
509.27637	0.6
527.28644	1.1
719.39972	1.0
737.41394	4.2
738.41913	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.1
59.01262	5.5
64.42967	0.9
69.03319	4.0
71.01257	6.1
71.04877	1.0
73.02818	1.2
80.19354	0.7
80.96394	1.2
87.00752	1.5
89.02319	3.0
97.06501	0.8
101.02322	3.1
113.02325	2.8
123.08080	1.9
125.09589	1.9
151.11163	2.6
153.12817	1.4
156.72891	0.8
161.09625	2.9
169.12239	2.4
177.09180	1.3
179.10701	9.7
197.11761	45.8
198.12077	3.3
207.10216	1.4
209.75038	0.9
223.09613	2.5
235.08139	1.7
235.64270	0.9
241.10786	3.3
244.67493	1.0
253.09351	5.5
256.81012	0.9
259.20410	0.9
277.21713	64.7
278.22052	5.6
329.55695	0.9
459.18387	2.1
477.19983	1.2
527.08655	1.0
737.41125	100.0
738.41376	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	737.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43554	0.4
55.01734	0.5
55.97391	0.5
57.03322	1.3
59.01249	7.9
63.85631	0.5
63.89414	0.5
69.03336	0.5
70.04514	2.4
71.01247	5.9
71.04881	0.5
72.67861	0.5
73.02834	0.8
74.61188	0.5
80.02562	0.8
81.03338	1.1
83.01264	0.7
83.04905	4.4
84.02044	1.1
85.02827	1.8
85.68904	0.4
87.00767	1.0
89.02309	3.1
95.04919	1.2
97.02824	2.0
98.26742	0.5
99.00775	1.0
100.86693	0.4
101.02326	4.8
106.04125	0.5
109.06469	7.7
110.03626	0.5
111.08044	8.6
113.02318	2.7
119.03378	0.8
121.06482	0.7
123.04423	0.8
125.05933	0.5
125.09624	0.5
135.08116	1.0
136.05202	0.7
137.09599	0.5
142.02635	0.7
143.03326	0.5
147.81468	0.5
161.04472	1.9
163.11205	6.6
165.09096	0.5
165.12759	2.1
166.00768	0.5
167.10725	2.2
171.10185	1.0
177.12784	1.5
179.05447	0.7
179.10681	1.5
179.14253	0.5
181.12239	1.2
191.10715	0.8
195.13835	9.0
196.14267	1.0
203.14348	0.9
207.10214	22.3
208.10574	1.3
209.11772	71.9
210.12093	3.5
211.13359	1.1
223.13345	1.9
225.11304	9.1
227.12846	9.9
228.13187	0.7
235.08173	4.1
247.20706	2.9
253.09264	15.3
254.09474	0.7
273.18585	1.2
274.19031	0.6
275.20129	3.0
291.19656	100.0
292.20001	8.3
293.21213	30.7
294.21350	2.7
299.15085	0.7
329.21060	1.0
348.55112	0.5
382.26361	0.4
443.19269	1.0
445.20334	0.7
461.20206	1.9
527.28790	5.0
719.39954	1.3
737.41113	9.4
738.41681	3.0
762.10010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.1
59.01250	8.6
69.03326	3.5
70.79817	0.6
70.80154	1.4
71.01246	7.7
71.04889	1.9
73.02818	1.4
73.43115	0.6
77.49393	0.5
83.01242	0.8
85.02836	1.4
87.00784	1.0
89.02328	2.5
95.01250	0.9
95.04910	0.5
97.06479	0.8
99.00771	0.6
101.02323	5.0
109.06458	0.8
111.04426	1.3
113.02334	2.3
119.03355	0.6
119.93584	0.5
123.08092	1.4
125.09623	2.4
151.11232	2.9
153.12770	2.0
156.31633	0.6
160.16742	0.6
161.04449	1.2
161.09668	2.8
169.12262	5.8
171.10210	1.0
172.85339	0.6
177.88953	0.5
179.10718	8.2
187.28931	0.5
197.11777	100.0
198.12068	4.6
201.11319	0.6
205.08670	1.0
207.10204	1.0
209.11656	0.8
223.09709	4.2
235.08208	1.7
240.92326	0.5
241.10730	4.4
253.09274	5.3
277.21722	40.9
278.22147	3.3
293.21399	0.6
327.95428	0.6
459.18716	1.6
477.19730	3.4
575.36365	0.8
614.94409	0.6
719.40240	1.2
737.41150	98.3
738.41492	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	737.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93385	0.7
57.03320	1.1
59.01252	14.7
64.73825	0.7
69.03337	1.1
71.01250	7.5
71.04892	1.2
71.48627	0.8
72.36951	0.7
72.99171	0.8
73.02821	1.6
74.76069	0.8
80.02567	1.1
80.35710	0.7
81.03329	3.5
83.01247	1.5
83.04887	3.8
85.02828	3.0
87.00748	1.4
89.02334	4.4
93.03350	0.7
95.04891	1.5
96.95889	4.9
97.02832	6.6
97.06447	1.3
99.00751	1.4
101.02326	6.3
101.29278	0.8
107.04942	1.1
109.06476	28.6
110.03600	1.3
111.00764	0.9
111.08057	1.3
113.02344	3.6
119.03384	0.9
121.06450	1.7
121.10092	1.1
123.04404	3.4
123.08070	1.1
124.30825	0.7
125.09637	1.5
126.41621	0.7
135.08051	3.8
136.05171	1.3
142.02643	2.0
145.04904	0.8
161.04497	2.8
161.09636	1.6
163.11198	17.3
164.11606	1.0
165.12787	1.1
169.01317	0.9
171.10178	2.9
179.05486	1.5
179.10654	0.9
181.12247	3.9
183.13776	1.1
185.11642	0.9
189.09174	2.3
189.64633	0.8
195.13817	9.8
196.14293	1.3
205.12482	0.8
207.10211	88.0
208.10521	3.3
209.11757	17.1
210.12050	0.9
211.13341	14.6
223.13344	7.3
225.11288	28.5
226.11589	1.2
227.12827	3.0
235.08218	5.1
243.12395	1.1
245.19008	0.9
253.09270	24.0
254.09515	1.3
256.13229	1.6
263.20218	0.8
275.20145	8.9
276.20624	1.0
277.21857	1.0
277.60025	0.7
289.18219	3.7
291.19644	11.5
291.22696	1.0
293.21222	100.0
294.21555	7.6
299.14926	1.5
307.19077	4.6
309.20895	0.8
443.19348	3.1
461.20239	9.6
483.31064	1.0
719.40564	1.5
737.41138	31.7
738.41669	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	737.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52375	1.8
59.01234	7.7
61.98702	100.0
64.18813	1.8
71.01237	7.2
71.57558	2.2
71.72750	1.7
72.99174	2.4
78.95758	1.8
79.95607	29.7
80.96393	48.7
82.95274	1.9
83.01253	2.5
83.78778	2.0
87.00765	2.9
89.02304	4.2
94.97950	5.5
96.82686	1.7
96.95882	30.4
97.02819	2.1
104.54291	1.7
107.01263	5.3
113.02321	2.1
116.92746	2.3
121.02818	3.6
125.02319	5.5
148.99063	2.6
151.00308	12.7
164.98489	4.2
169.01352	9.3
171.10194	2.3
173.09360	1.8
178.99748	4.6
179.81567	2.0
183.13870	3.0
207.10193	3.1
209.11792	16.1
211.13351	20.0
225.00665	7.2
225.11258	4.2
237.18303	1.9
256.78696	1.8
262.42883	2.2
271.02350	2.7
273.00720	2.1
293.20987	3.7
301.00183	3.8
301.03488	30.1
302.03748	4.0
332.87808	2.0
507.28152	2.3
607.28168	3.7
691.30170	2.7
719.29260	8.6
737.30475	72.8
738.30951	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	737.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69325	0.8
57.00136	0.6
57.03304	1.2
59.01249	2.7
61.98705	5.4
62.48800	0.7
63.96106	1.7
71.01255	10.5
72.99158	1.4
73.02804	2.4
78.98470	6.3
79.95610	16.2
80.96391	77.3
81.03329	1.2
83.04864	0.9
85.02837	3.6
87.00729	3.9
92.97958	0.9
94.97964	19.6
95.01241	0.8
96.95898	13.5
97.02823	2.6
98.20544	1.8
99.00756	1.0
101.02314	4.5
106.97979	3.9
107.01264	1.4
113.02296	1.6
116.92767	1.2
122.97469	4.5
123.00749	2.5
125.02332	10.6
127.03921	1.2
134.97493	5.8
136.99028	1.7
146.95483	0.9
148.99072	6.8
150.03131	1.1
152.98538	7.4
161.04436	0.9
164.98547	14.6
166.99963	1.5
169.01358	10.0
179.06978	1.0
195.06636	0.9
197.11725	0.9
206.99612	4.0
209.11813	6.0
209.18115	0.8
210.17749	0.8
225.00700	29.4
226.00908	1.4
285.04028	2.9
287.99939	0.9
300.99899	3.0
377.80905	0.8
399.36627	0.8
437.27942	0.8
509.17044	5.6
517.59088	0.7
581.19189	0.9
675.22705	1.1
737.30542	100.0
738.30981	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	737.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.4
61.98703	0.6
63.90152	0.6
63.96114	1.6
69.03333	0.6
71.01257	8.6
71.35155	0.9
71.35522	0.5
73.02810	2.0
78.98473	6.2
79.95609	16.3
80.96394	83.8
81.03329	1.1
83.01241	0.6
83.04891	0.7
85.02827	2.9
87.00754	3.4
93.04635	0.5
94.97966	18.6
96.95892	2.1
97.02830	2.0
101.02307	2.8
103.54543	0.4
106.97983	3.7
113.02316	0.6
122.97477	3.5
125.02357	3.7
127.03877	0.6
134.97490	5.3
136.99043	1.7
148.99059	6.8
150.97006	0.5
152.98540	7.6
163.11200	0.6
164.98546	12.2
167.00078	0.5
169.01326	1.2
206.99678	3.1
209.11760	4.9
210.12102	0.7
210.43213	0.5
225.00708	24.8
227.12881	0.5
259.31454	0.5
283.04956	1.1
411.59033	0.5
509.17010	4.4
630.77692	0.6
663.32739	0.8
737.30603	100.0
738.30859	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	737.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40913	3.8
59.01249	14.3
60.99145	4.1
61.98707	37.2
69.03319	4.1
71.01244	18.2
71.58198	4.9
72.99181	4.7
75.00733	9.0
78.95798	5.3
79.95610	14.2
80.96397	38.7
83.01293	4.2
85.02814	5.1
87.00745	4.8
88.98673	7.8
89.02332	7.7
94.97963	11.5
95.01302	5.5
96.05293	4.7
96.95908	20.8
101.02349	10.1
106.98007	5.1
107.01286	17.2
111.00785	5.1
113.02274	4.6
121.02819	6.0
123.00761	26.9
125.02336	64.5
126.90395	20.5
139.00269	3.7
149.02322	4.5
150.03165	10.3
151.00284	17.3
164.98540	8.5
165.05511	13.0
166.99794	6.8
168.00569	4.8
169.01347	75.5
170.01653	4.9
175.82964	3.9
183.04393	5.2
185.05930	4.0
185.11873	4.0
191.03502	5.6
195.06538	5.2
209.11807	13.4
225.00699	10.0
227.03372	29.9
255.02974	74.6
255.90280	4.6
256.03363	9.1
269.04593	5.0
273.00632	5.4
275.01950	5.6
283.02496	17.6
284.03210	61.7
285.04004	43.2
299.99283	4.6
300.02808	5.7
300.99899	17.2
301.03131	8.3
302.00192	5.1
313.05664	5.9
332.22473	4.1
451.12567	12.7
581.09595	9.0
585.25519	11.3
680.16553	4.6
704.32129	4.2
731.85712	4.8
737.17169	100.0
737.30493	44.2
738.17511	15.8
738.29584	5.1
744.36230	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	737.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70802	0.3
54.63395	0.3
59.01242	1.4
61.98709	2.8
63.02261	1.1
65.00185	0.8
65.03826	0.4
66.06628	0.3
67.01760	0.6
70.19323	0.4
70.42170	0.4
71.01263	1.7
73.02808	0.6
73.55438	0.3
75.00747	1.4
78.37746	0.4
79.95567	0.5
80.96384	1.0
83.01249	1.1
85.02838	0.7
88.98672	0.6
89.02331	0.5
90.67041	0.3
93.03334	1.9
95.01250	1.2
96.95901	2.0
98.20558	0.9
101.02344	0.7
107.00616	0.5
107.01278	3.6
109.02817	1.3
109.06448	0.5
111.00774	0.5
113.02328	0.5
116.92781	0.4
117.03343	0.8
122.03617	0.6
123.00766	4.0
124.01534	0.6
125.01437	0.7
125.02338	11.3
135.00748	1.2
136.01643	0.4
137.02409	0.9
139.00233	0.7
140.01123	0.4
143.04930	1.2
145.02873	0.9
148.16664	0.4
149.02325	0.9
150.03149	1.9
151.00282	5.1
153.05405	0.4
154.04099	0.5
155.07014	0.8
156.53169	0.4
157.06474	0.9
159.04398	1.5
161.02325	0.5
163.00275	2.3
165.01891	0.7
165.05495	1.4
166.99782	0.7
167.04941	0.6
168.00569	1.0
169.01338	16.4
169.02786	0.9
169.06534	0.6
170.01688	0.5
171.04440	1.2
173.02365	0.5
173.06026	0.5
175.03920	0.5
183.02879	0.4
185.05972	2.5
187.03951	3.6
189.05505	1.0
193.01405	0.5
195.04562	0.4
195.06577	1.1
197.05995	0.9
199.03984	1.0
201.05571	0.6
209.11740	0.9
211.04004	2.5
212.04732	0.5
213.05612	1.9
214.02577	0.6
215.03445	0.5
223.02249	0.5
225.00639	0.6
227.03439	4.8
229.05003	10.5
230.05318	0.6
237.48541	0.4
239.03424	1.4
240.04138	0.9
241.05043	1.4
243.03210	0.5
255.02968	4.7
256.03604	1.2
257.04568	6.4
258.04871	0.6
259.02054	0.4
267.02948	0.9
275.01849	0.7
283.02573	0.7
284.03308	4.0
285.04034	100.0
286.04419	7.1
300.99905	2.3
301.03351	0.9
341.10132	0.5
344.12625	0.6
451.12427	10.2
452.12790	1.1
585.15979	0.5
737.17267	3.2
737.28204	0.8
756.22986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37240	0.3
59.01241	0.7
61.98698	0.5
63.02269	2.6
65.00212	1.5
69.03336	0.6
71.01241	1.0
72.99162	0.3
73.02834	0.4
79.01770	0.7
79.95615	0.6
80.96401	0.5
83.01259	1.4
87.00774	0.5
88.98695	0.4
91.01801	0.4
93.03338	1.3
95.01263	1.3
96.95868	2.2
97.02829	0.7
101.02299	0.4
107.01279	4.8
109.02818	0.5
111.00783	0.5
113.02354	0.4
117.03325	0.4
120.38396	0.3
121.02910	0.4
123.00771	6.7
125.02342	6.8
131.04938	0.4
135.00783	0.8
136.98744	0.6
137.02347	0.8
139.00275	1.3
140.01070	0.6
143.04973	1.5
145.02838	0.8
149.02365	0.7
150.03102	2.1
151.00279	10.5
151.03812	0.4
152.00662	0.5
155.07025	0.8
156.46666	0.3
157.06447	0.9
157.76817	0.3
159.04434	1.4
161.02315	0.5
163.00282	2.2
164.01048	0.9
165.01860	0.7
165.05473	2.4
166.99785	0.4
167.04874	0.6
168.00546	0.7
168.99948	0.6
169.01349	10.2
169.06477	0.8
170.01715	0.6
171.04419	0.7
183.04457	0.5
185.06004	2.4
187.03925	2.5
189.05544	0.7
189.29112	0.3
193.01303	0.4
195.04486	0.7
195.06531	0.8
197.05934	0.6
199.04028	0.6
201.05470	0.7
211.03990	1.1
213.05524	2.0
215.03511	0.5
227.03549	3.0
228.03850	0.4
229.05043	7.5
230.05446	0.8
239.03479	1.2
240.04265	0.4
241.04951	1.3
243.03046	0.5
255.02951	2.7
256.03650	1.2
257.04532	6.6
258.04712	0.4
267.02954	0.5
283.02567	0.4
284.03210	2.9
285.04041	100.0
286.04404	6.5
300.99854	1.4
341.10165	0.4
359.15225	0.5
371.14792	0.5
421.11414	0.7
451.12454	28.2
452.12717	2.4
537.21295	0.6
585.23578	1.1
674.34967	0.6
737.15900	3.7
738.17090	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.2
63.02278	1.2
63.65194	0.8
64.08683	0.8
65.00194	2.3
66.58871	0.6
67.01742	1.1
68.73986	0.6
68.99715	0.7
69.03336	2.1
71.01257	4.5
72.99158	1.0
79.01760	1.2
80.93954	0.7
81.03313	1.2
83.01244	2.1
85.02817	6.9
93.03355	2.3
95.01264	4.2
96.95910	1.4
97.02854	1.2
97.70624	0.8
98.20583	2.7
99.00693	0.8
101.02351	1.1
104.85637	0.7
105.03313	0.6
107.01268	13.7
108.02080	0.8
109.02837	3.3
111.00802	3.7
113.02342	6.4
114.26524	0.8
119.04958	1.0
121.02851	4.5
123.00769	14.3
123.04344	1.0
124.01545	2.3
125.02338	75.2
126.02658	2.1
127.00249	1.0
133.02856	1.3
135.04410	1.0
136.98715	2.1
137.02319	2.5
139.00267	4.7
140.01083	3.7
141.01819	1.7
145.02881	1.6
147.04454	1.6
149.02370	3.0
150.99115	1.5
151.00281	19.1
151.03958	1.3
153.01918	1.0
161.02348	6.8
163.00346	1.6
163.03897	2.5
165.01833	2.0
166.02625	1.1
166.99789	4.8
168.00577	7.6
169.01341	100.0
170.01683	3.3
171.04517	1.0
175.00339	1.0
175.03925	1.8
177.01846	1.8
178.02502	0.8
178.99815	4.4
179.03445	6.1
180.03947	0.9
181.05006	2.2
183.04317	0.8
191.03371	2.0
193.01337	4.3
195.06564	0.9
201.01823	1.3
201.05524	1.8
203.03368	1.5
206.02132	0.8
207.02821	1.2
211.09767	0.9
215.03545	0.9
217.01373	1.8
218.02063	1.2
221.04506	2.7
223.02492	2.0
227.03363	1.3
229.04962	1.1
235.02507	1.2
239.05568	1.0
241.05098	0.7
245.00854	1.1
245.04521	1.1
247.02356	1.2
255.02962	2.9
265.03528	6.2
271.02356	5.0
273.00394	1.0
275.01843	1.0
283.04605	34.8
284.04749	1.1
285.03998	2.8
287.05551	1.1
288.99823	0.9
299.01968	0.8
300.02661	5.6
300.99918	7.5
301.03537	28.5
301.06989	1.7
302.00339	1.6
302.03839	1.8
328.56235	0.7
347.07681	0.8
391.06674	7.7
435.05661	85.1
436.05930	8.2
451.08987	5.7
567.08295	0.9
585.08789	9.2
737.10046	10.2
738.10596	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	737.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.9
65.00195	2.0
67.01752	1.5
69.03300	1.7
69.51308	3.3
69.51730	3.9
71.01250	5.8
73.02795	1.0
79.01766	1.1
83.01256	2.3
85.02822	4.8
87.00729	0.9
93.03316	1.9
95.01260	3.7
96.95885	10.1
97.02809	1.8
99.79954	0.8
101.02296	1.1
107.01266	10.8
109.02824	1.8
109.06409	0.8
111.00758	3.2
113.02336	10.8
116.22373	0.9
119.04871	2.3
121.02826	4.2
122.95992	0.8
123.00765	15.4
124.01583	1.9
125.02334	58.4
126.02726	2.0
127.00282	1.3
132.64626	0.7
135.04469	1.0
136.98718	1.5
137.02316	2.1
139.00294	5.0
139.03830	1.4
140.01047	2.7
141.01816	1.7
145.02766	1.0
149.02333	4.2
151.00264	19.7
151.03906	2.4
153.01878	0.9
155.07039	1.7
159.04465	0.9
161.02353	1.4
162.03217	0.8
163.00288	1.4
163.03905	4.4
165.01768	2.7
166.99803	3.9
167.03392	2.6
168.00583	7.0
168.80252	1.0
169.01335	77.5
170.01656	3.9
175.00327	1.1
175.03966	2.3
177.01878	1.6
178.99763	3.2
179.03365	2.1
189.01839	1.1
191.03418	2.1
193.01346	21.0
193.04939	1.2
193.17606	0.9
194.01715	1.0
201.05318	1.0
203.03395	2.1
205.01256	1.2
207.02885	1.5
209.04446	2.1
211.02444	5.7
221.04475	1.3
223.02423	10.4
227.03329	1.0
235.02385	1.6
241.03436	1.9
243.02753	1.4
247.02434	2.3
255.02875	3.8
256.03485	1.0
265.03598	4.6
267.05161	1.2
271.02414	7.0
272.02719	1.0
275.01917	1.6
283.01730	1.6
283.04593	22.6
285.03906	1.2
288.99866	1.5
299.01816	1.6
300.02731	9.6
300.99872	6.1
301.03491	17.1
302.03796	2.3
433.07712	1.0
435.05661	100.0
436.05960	7.2
443.48648	0.9
585.08551	7.5
586.09058	1.2
737.09918	31.1
738.10260	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	737.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02646	0.6
57.03315	0.7
59.01248	2.4
61.98712	1.3
65.00188	3.0
67.01762	1.4
67.65746	0.7
69.03316	1.1
69.40617	5.4
71.01254	3.5
72.99165	1.7
73.02821	1.4
75.00747	1.2
83.01285	1.5
85.02805	4.3
93.03347	2.0
95.01266	2.8
96.95889	11.5
97.02843	1.8
101.02321	1.4
105.03341	0.7
107.01269	12.7
109.02837	2.0
111.00762	2.3
113.02325	6.7
119.04881	1.0
121.02835	4.1
123.00776	12.5
123.04418	0.8
124.01602	1.8
125.02339	54.4
126.02683	1.2
131.04933	1.0
135.04457	0.9
137.02348	1.9
138.03076	0.7
139.00266	4.3
139.01186	0.8
139.03900	0.8
140.01048	3.1
141.01801	1.7
149.02357	3.4
150.03181	0.8
151.00282	19.5
151.01514	1.0
151.03906	0.8
152.00768	0.8
155.07010	0.9
159.04370	1.1
161.02362	1.1
163.00278	2.1
163.03891	1.0
164.01009	1.1
165.01796	1.9
165.05492	0.8
166.99785	4.9
167.03404	1.8
168.00571	3.5
169.01341	66.2
169.12279	0.9
170.01692	2.2
177.01820	2.3
178.99762	5.4
179.03337	1.4
181.01360	1.1
183.31416	0.6
187.65695	0.7
189.01918	1.1
191.03346	1.2
192.00554	1.3
193.01346	8.7
193.04965	1.0
195.02927	1.5
197.11775	2.1
201.11282	1.6
203.03441	2.6
207.02872	1.3
208.77698	0.7
209.11749	1.4
211.02419	4.6
211.04059	0.8
221.04567	1.3
223.02458	5.7
227.03401	1.2
229.01358	0.8
235.02365	1.1
243.02994	0.8
245.00818	1.3
245.04520	0.8
247.02397	1.3
255.02956	1.9
265.03543	6.2
271.02347	2.0
273.00406	1.1
273.03964	1.0
275.01871	2.2
283.01779	1.0
283.04642	16.2
285.04175	1.3
299.99002	1.7
300.02597	1.8
300.99866	9.4
301.03528	23.6
302.00381	1.4
302.03888	2.1
313.05606	0.9
329.06558	1.5
346.21140	0.9
395.20731	0.7
434.00229	0.8
435.05664	100.0
436.06033	8.5
465.06671	2.4
585.08801	3.6
705.32947	1.5
737.09546	6.2
737.36859	2.0
738.09619	0.8
752.93225	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73898	0.1
51.93966	0.1
55.69654	0.1
61.98701	100.0
62.98416	0.1
69.81047	0.5
80.96400	0.1
125.02322	0.1
169.01421	0.1
209.11906	0.3
227.13033	0.1
233.10045	0.1
300.99899	0.1
662.64233	0.1
736.29419	0.1
737.30780	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04678	0.1
59.01251	0.5
61.98704	100.0
62.98402	0.2
71.01244	0.2
75.00758	0.2
75.46928	0.1
78.91751	0.2
78.95799	0.3
78.98504	0.1
79.95589	0.2
80.96394	1.0
83.04879	0.2
91.14955	0.1
92.50623	0.1
93.85753	0.1
94.98003	0.2
96.95910	0.4
98.19815	0.4
101.02357	0.2
109.06474	0.2
111.08079	0.1
116.92773	0.1
125.02300	0.2
161.59215	0.1
163.11176	0.2
164.98528	0.1
169.01376	0.2
171.10204	0.1
183.13878	0.2
197.11801	0.6
207.10222	0.2
209.11786	1.2
210.12151	0.2
210.73877	0.1
211.13472	0.8
221.69716	0.1
223.13315	0.1
225.00673	0.2
225.11267	0.2
227.13000	0.2
265.29663	0.1
268.57913	0.1
289.18127	0.3
291.19730	0.2
552.81219	0.1
737.34369	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28983	0.3
59.01271	0.5
61.98702	100.0
62.98396	0.3
70.14992	0.9
71.01245	0.3
74.77110	0.2
78.95759	0.3
80.96398	0.4
87.00764	0.3
88.98676	0.3
96.95889	1.4
116.92767	1.0
117.92776	0.5
119.94625	0.3
123.00763	0.3
125.02378	0.8
143.71191	0.2
169.01361	0.9
169.51334	0.3
183.14217	0.2
197.11766	0.2
209.11754	1.6
210.12157	0.4
211.13394	0.5
232.85074	0.2
236.22607	0.2
271.02512	0.4
272.83401	0.2
277.29419	0.2
300.02780	0.3
301.00168	0.6
301.03485	0.5
314.15393	0.3
430.84811	0.3
488.85861	0.3
502.74405	0.3
736.40033	0.4
737.31622	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.8
59.01251	6.4
69.03332	1.7
71.01251	4.3
71.04913	0.5
71.49034	0.5
71.49367	0.8
78.46481	0.4
78.95792	0.5
83.01280	1.1
83.04870	0.5
85.02831	1.1
87.00757	0.9
88.65611	0.4
89.02301	2.7
90.76142	0.4
93.03353	0.5
95.04927	0.5
101.02304	3.9
109.06512	1.0
111.08073	0.6
113.02343	1.9
114.28891	0.5
119.03407	0.9
123.87535	0.5
143.03394	0.6
145.04916	0.7
161.04501	1.4
167.10724	3.1
177.12672	0.6
179.10733	0.8
179.14281	3.5
195.12059	0.7
195.13840	15.5
196.14323	1.0
205.12300	9.8
206.12827	0.8
207.10229	0.5
209.11720	0.9
211.13387	0.7
214.83656	0.5
219.40181	0.5
223.13358	100.0
224.13696	6.2
228.13696	0.5
235.08292	3.7
253.09262	16.0
254.09499	1.1
256.13147	1.0
275.20187	4.6
277.21701	0.8
293.21243	81.1
294.21564	6.9
459.22318	9.6
460.22678	1.0
529.30524	0.6
603.62164	0.6
735.42981	0.6
754.28180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.409
Annotation	Myxochromide S2
Peak:m/z	Relative Intensity
69.23613	100.0
69.24045	72.3
71.01274	16.0
78.95766	40.1
79.78186	13.9
80.96411	38.8
82.71040	13.8
89.29359	15.1
91.48648	13.8
94.97997	19.5
100.66710	16.1
106.73297	16.8
119.49492	15.8
123.97108	15.3
152.99500	29.3
207.10225	34.1
225.00702	18.6
255.23302	36.3
295.83405	15.8
322.30341	17.1
499.19720	49.7
735.40479	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	4.6
57.30459	2.2
59.01253	29.8
61.98704	51.6
63.14116	2.2
69.03339	3.0
69.87089	4.6
69.87501	10.8
71.01266	21.2
71.04858	2.4
71.83518	2.5
72.99172	2.5
73.02850	3.9
78.95767	4.9
80.02575	2.8
81.03329	4.8
83.04906	12.1
85.02821	7.3
87.00751	7.3
89.02330	9.7
93.03337	3.6
95.01318	2.2
95.04897	3.2
96.43841	2.2
96.95876	5.3
97.02828	14.8
97.06461	4.9
99.00758	3.3
101.02333	15.8
102.07452	2.4
106.04116	3.0
108.00506	2.2
109.06472	42.2
111.04411	6.1
111.08040	11.3
113.02354	10.1
121.06516	3.6
123.08065	2.8
125.09613	10.5
133.06406	2.6
135.08069	8.4
137.09616	3.3
141.75243	2.5
142.02605	3.4
143.03432	2.5
151.11241	2.4
161.04486	3.8
161.09618	5.2
163.11217	34.9
165.12743	3.2
169.01291	3.5
171.10202	9.0
177.12758	2.8
179.10652	5.7
181.12257	7.5
185.11777	13.2
187.09622	3.5
195.13753	11.4
197.11795	4.6
205.08604	6.9
207.10214	95.8
208.10599	3.2
209.11778	100.0
210.12154	4.5
211.13367	16.2
212.13625	2.9
213.61946	2.5
223.09683	12.7
225.11252	43.3
226.11595	2.9
227.12863	3.7
235.08180	9.7
237.14951	5.5
245.19235	4.1
250.98727	2.6
253.09326	18.7
254.09651	2.5
261.15115	2.7
277.18137	14.2
279.16074	7.9
281.42868	2.4
289.18048	28.9
291.19681	65.4
292.19958	5.4
293.18158	3.4
293.21030	13.6
305.17697	2.8
307.19171	25.3
309.20688	7.2
311.20209	4.0
313.18103	3.0
329.21091	6.6
378.47113	2.3
385.24265	3.8
403.25247	2.5
443.19446	3.9
461.20477	16.2
463.28598	9.3
481.29504	29.2
499.30865	13.5
512.05969	2.8
574.84955	2.4
637.32446	3.9
685.58087	3.0
717.38586	47.4
718.38666	6.5
735.39612	43.6
736.39911	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	735.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39518	2.0
54.38328	2.5
54.76975	2.0
57.03320	4.5
59.01241	27.6
61.09191	2.0
61.98688	6.3
69.03352	3.2
70.58114	5.0
71.01255	17.0
75.07235	2.4
76.06680	2.1
77.75208	1.9
78.95774	5.0
81.03333	3.9
83.01281	2.6
83.04905	6.8
85.02793	4.0
85.57297	2.8
87.00764	5.9
89.02329	8.2
95.04887	4.4
97.02847	13.7
99.00743	6.4
101.02325	17.9
109.06473	46.2
110.03622	3.7
111.04374	5.5
111.08038	10.3
113.02333	8.6
119.03400	4.6
121.06536	2.6
123.04449	3.1
123.08047	2.1
125.02347	4.8
125.09622	7.6
135.08032	4.4
136.05118	2.9
151.11218	3.5
159.11803	2.3
161.04446	2.4
161.09616	6.5
163.11215	26.8
174.30954	2.6
177.12793	4.5
179.10701	6.5
181.12259	5.3
185.11777	9.8
187.09674	3.5
189.09038	3.2
190.02884	2.3
195.13861	10.9
205.08652	4.8
207.10220	100.0
208.10568	5.0
209.11790	8.8
211.13312	6.1
221.11713	3.3
223.09778	13.4
224.13947	2.5
225.09245	4.0
225.11287	51.6
226.11560	3.1
227.08403	2.2
235.08191	9.6
236.37347	2.7
237.14975	10.8
253.09235	17.2
277.18042	13.3
279.16019	9.1
289.18137	3.4
291.19681	78.1
292.19977	5.1
293.21252	21.3
301.34427	2.8
329.21182	6.5
379.12924	2.7
403.24811	2.5
419.29849	2.5
437.30530	3.5
443.19141	3.2
455.45773	2.5
461.20248	21.4
463.28616	9.4
481.29477	30.9
482.29861	3.6
499.30701	15.4
621.33167	4.7
623.80481	2.6
699.37988	3.3
717.38611	42.7
718.38910	9.7
735.39575	39.1
736.39752	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	735.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.4
58.00467	1.2
59.01248	8.7
61.98705	55.9
64.39355	1.1
68.65961	1.0
69.03335	1.4
71.01252	18.4
71.13216	2.5
72.99177	1.6
73.02814	4.1
78.83208	0.9
78.91752	1.7
79.76442	1.2
80.02564	1.1
81.03358	1.2
83.01266	3.2
83.04866	1.8
84.02039	2.0
85.02846	2.4
87.00767	2.4
89.02313	4.3
95.01263	1.4
96.95892	3.2
97.02822	3.1
97.06473	1.5
101.02329	6.7
109.06490	5.9
110.03654	1.4
111.00744	1.9
113.02318	4.2
116.92734	2.4
118.03407	0.9
119.03394	1.5
125.02348	2.0
125.05950	1.3
125.09615	6.0
127.11144	4.1
135.08061	1.0
139.07571	1.0
143.03371	2.7
145.04979	1.3
149.09601	1.4
155.10617	2.1
161.04442	2.4
163.11192	8.4
165.08969	1.0
165.12759	1.6
169.01326	2.8
171.10188	46.0
172.10510	1.5
179.10756	2.2
181.12215	3.6
182.12894	1.0
183.10243	1.2
185.11774	3.5
189.09183	2.7
191.10699	2.5
197.11754	7.5
201.11273	24.4
207.10205	26.8
209.11784	46.8
209.13809	2.2
210.12126	2.5
211.13344	2.5
215.12872	1.5
223.13139	1.9
225.11285	34.2
226.11595	1.4
227.12875	4.8
235.08153	5.3
239.12859	12.0
243.12300	2.2
243.15916	1.5
253.09256	15.7
262.24551	1.1
273.17072	100.0
274.17416	5.5
295.10172	1.8
296.89044	1.1
300.99896	2.0
443.19388	1.3
461.20135	4.9
499.49585	1.2
509.26495	1.4
717.36981	3.1
735.38623	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51314	0.2
59.01244	0.4
71.01231	0.3
71.57591	0.4
74.89204	0.2
89.02354	0.3
101.02285	0.3
107.01276	0.4
111.00768	0.4
111.74922	0.3
113.07340	0.2
117.03341	0.4
117.15924	0.3
117.27560	0.2
118.86546	0.3
125.02371	1.5
133.02863	0.3
145.02892	1.6
147.04446	0.4
151.00293	0.3
157.02882	0.6
161.02325	0.4
163.03969	0.5
169.01334	1.8
173.02374	1.2
175.03917	0.3
185.02367	2.2
189.01825	0.4
191.03186	0.3
200.01018	0.3
201.01900	2.1
213.01770	0.3
216.00471	0.3
217.01341	0.7
226.99785	0.5
228.00581	0.4
229.01393	3.3
244.00089	0.4
245.00789	1.4
257.00992	1.6
266.22931	0.2
271.02484	0.4
273.00458	0.6
283.99673	2.3
299.99176	2.3
300.02692	1.1
300.99896	100.0
301.97034	0.5
302.00244	6.9
433.07687	0.7
735.20844	0.3
762.25970	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97689	0.3
59.01245	1.2
63.02268	2.3
65.00195	5.4
69.64340	0.9
69.64745	1.7
71.01240	0.9
73.04044	0.4
81.03343	0.4
83.01252	3.4
85.02825	0.5
87.00767	0.4
88.98710	0.4
93.03344	3.1
95.01254	1.0
96.95877	1.0
99.93934	0.4
101.02297	0.6
107.01268	10.2
107.01958	0.7
109.02831	1.8
111.00749	0.6
113.02390	0.4
119.01250	0.4
121.02845	8.0
123.00761	1.3
124.01466	0.4
125.02337	4.8
135.04301	0.5
137.02338	4.9
139.00215	0.5
139.03859	0.7
140.00999	0.5
149.02371	1.5
151.00276	33.4
152.00607	0.9
153.01881	0.4
159.04395	0.7
161.02379	0.5
162.54785	0.3
163.00275	2.0
163.03961	0.6
165.01871	0.7
166.99750	0.5
168.00525	0.5
169.01349	9.7
173.05901	0.4
175.03911	0.6
178.99783	15.3
180.00145	0.7
183.04420	0.5
187.04004	0.6
191.03362	0.5
192.00717	0.4
193.01364	1.1
199.03912	0.4
201.05486	1.1
211.03931	0.9
227.03500	1.0
229.05019	1.5
243.02986	0.7
245.00818	0.6
245.04555	1.5
254.23146	0.4
255.02934	2.8
257.04349	0.4
271.02554	2.1
272.02820	0.5
273.00757	0.4
273.04025	1.9
275.01950	0.7
283.02444	0.7
284.03308	0.4
285.03931	0.6
287.44772	0.3
298.98248	0.5
299.01779	0.4
299.99332	0.6
300.02695	3.1
301.03506	100.0
302.03824	5.6
313.05869	0.8
433.02158	0.7
433.07733	9.6
434.07977	0.8
479.83466	0.4
583.11267	1.6
735.11566	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	733.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	9.3
61.98695	0.6
69.03316	0.5
71.01251	3.5
73.02817	0.5
82.24296	0.2
83.04906	0.4
85.02845	0.3
87.00747	0.4
89.02327	1.2
96.23479	0.3
96.95922	0.4
97.02831	0.3
98.19791	0.7
101.02316	1.8
109.06470	0.7
113.02336	0.8
125.02290	0.4
155.10580	0.2
161.04356	0.6
163.11134	0.5
167.10648	0.5
167.14299	0.8
171.10158	0.4
181.12155	0.4
181.79570	0.2
183.13838	6.8
184.14162	0.5
189.46500	0.3
193.12254	1.7
199.09645	0.4
207.10240	1.5
209.11812	1.2
211.13336	100.0
212.13647	5.6
223.09669	0.3
225.11319	0.9
227.12862	0.5
235.08162	1.9
253.09279	3.1
365.99655	0.3
401.23148	0.3
405.26590	0.4
416.70538	0.3
429.21317	1.3
447.22351	7.1
448.22635	0.7
597.32495	0.3
623.34601	1.0
624.34015	0.5
641.35645	0.6
655.33264	0.4
733.38092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	0.2
59.32538	0.1
61.98703	100.0
65.29964	0.1
65.43076	0.2
65.56252	0.1
70.02456	0.5
79.58540	0.1
89.40996	0.1
96.95861	0.1
98.20590	0.1
113.68614	0.1
123.00809	0.2
125.02309	0.2
138.51816	0.1
149.40454	0.1
169.01341	0.2
197.11725	0.2
209.11819	0.6
281.28494	0.1
301.00104	0.2
725.21161	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01601	0.6
55.01793	0.6
59.01250	13.4
61.98697	1.7
69.47783	1.7
69.48207	3.0
71.01254	17.0
73.02823	1.0
75.00741	0.9
78.95789	1.2
81.03352	0.6
83.01256	0.8
83.04891	0.9
85.02852	1.2
87.00740	1.5
89.02314	2.2
96.95896	1.6
97.02798	0.8
97.06460	0.7
98.19797	1.2
98.57414	0.6
101.02334	2.7
105.43125	0.6
109.06467	2.8
113.02348	1.5
117.07056	1.2
125.02382	0.8
125.09595	1.3
161.04436	0.9
163.11183	2.5
171.10257	3.6
181.12230	0.9
183.13826	7.8
193.12282	1.8
199.09633	3.4
201.11292	1.0
206.01822	0.9
207.10216	9.5
209.11813	6.1
211.13341	100.0
212.13728	5.0
212.15500	0.9
225.11285	6.4
227.12868	3.7
235.08180	3.4
253.09248	6.2
275.41141	0.6
287.16479	0.8
308.08633	0.7
358.23492	0.7
391.24890	0.7
401.23285	1.6
429.21417	1.1
447.22284	6.3
461.20370	1.5
467.17569	0.8
574.37286	0.8
592.21362	0.7
623.33936	0.9
637.32257	2.1
641.35950	0.7
655.33197	1.8
656.34283	0.9
677.92682	0.6
733.38605	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	733.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85319	0.5
55.52627	0.5
57.75934	0.4
59.01258	4.3
61.98705	7.1
68.99689	1.1
71.01253	5.6
71.57159	0.5
72.99183	4.3
73.02843	0.6
75.00748	100.0
76.01088	1.5
78.95770	0.7
80.91555	2.2
83.01251	1.2
83.04913	1.2
84.02043	0.8
85.02814	1.5
87.00768	1.2
88.98688	2.2
89.02334	1.4
96.95900	2.9
97.02823	1.0
99.00798	0.6
101.02332	1.7
109.06501	0.8
111.00789	0.6
111.04382	1.3
113.02335	1.1
125.02375	1.0
125.09622	1.6
127.24982	0.5
134.92412	0.5
143.03598	0.5
161.04466	0.9
161.09599	1.0
163.11250	1.1
164.48019	0.6
165.12698	0.6
169.01337	1.6
170.24806	0.5
171.10188	8.7
172.10358	0.6
177.09178	0.9
179.10728	1.4
185.11768	0.7
197.11836	3.2
201.11208	0.6
205.08682	2.3
207.10161	2.7
209.11766	19.9
210.12158	1.3
211.11484	0.9
211.13367	11.9
212.13795	0.7
223.09679	5.1
223.13239	0.5
225.11230	1.6
227.12830	3.1
235.08197	1.3
239.12807	0.9
245.80807	0.5
253.09299	3.7
254.09538	0.6
273.17059	15.3
274.17386	0.9
394.35004	0.5
459.18646	1.3
623.30847	0.7
640.74133	0.6
715.35889	1.4
733.37610	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	733.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.8
60.99178	17.1
61.83675	0.4
61.98703	16.7
71.01252	2.8
71.57615	0.6
72.99181	0.8
73.02805	0.7
75.00738	2.2
78.95777	0.6
79.95607	0.5
80.96391	3.3
81.03355	0.5
83.01221	0.4
83.02287	0.4
83.04922	0.9
85.02817	0.7
87.00751	1.9
88.00269	1.1
88.98679	100.0
89.02309	5.6
89.99049	0.5
94.97958	0.9
96.95895	2.0
101.02357	1.2
109.06402	0.6
113.02337	0.6
114.93221	0.5
116.92714	1.2
125.02352	1.5
145.65982	0.5
163.11264	0.6
169.01323	1.1
171.10146	2.8
185.11798	1.1
197.11752	2.5
199.13348	0.8
207.10179	1.6
209.11775	6.4
210.12169	0.9
211.13304	1.6
223.09703	1.3
225.00749	1.0
225.11188	0.8
227.12836	1.7
243.17673	0.5
253.09279	1.1
273.17029	3.3
400.44070	0.5
655.33337	0.6
733.32172	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	732.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58990	0.2
59.01247	1.0
60.99203	0.2
61.23069	0.2
61.98704	100.0
62.98416	0.2
71.01263	0.5
71.48240	0.3
72.99186	0.8
74.74278	0.2
75.00742	1.8
76.69786	0.2
78.95763	0.3
80.96391	0.2
87.67319	0.2
88.98677	1.4
89.02316	0.2
96.95903	0.6
101.02348	0.3
117.06985	0.3
125.02333	0.4
152.97150	0.2
169.01338	0.3
171.10179	1.6
172.10513	0.4
209.11783	1.4
211.06036	0.3
211.13364	1.1
218.32169	0.2
223.13354	0.4
225.11418	0.2
227.12747	0.4
237.11047	0.2
253.09346	0.2
279.05463	0.2
309.38324	0.2
328.11374	0.2
341.23349	0.7
342.23700	0.6
392.18372	0.2
399.64691	0.2
403.12570	0.3
404.12637	0.4
535.15527	0.2
541.66711	0.2
598.18994	0.2
733.37524	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58990	0.2
59.01247	1.0
60.99203	0.2
61.23069	0.2
61.98704	100.0
62.98416	0.2
71.01263	0.5
71.48240	0.3
72.99186	0.8
74.74278	0.2
75.00742	1.8
76.69786	0.2
78.95763	0.3
80.96391	0.2
87.67319	0.2
88.98677	1.4
89.02316	0.2
96.95903	0.6
101.02348	0.3
117.06985	0.3
125.02333	0.4
152.97150	0.2
169.01338	0.3
171.10179	1.6
172.10513	0.4
209.11783	1.4
211.06036	0.3
211.13364	1.1
218.32169	0.2
223.13354	0.4
225.11418	0.2
227.12747	0.4
237.11047	0.2
253.09346	0.2
279.05463	0.2
309.38324	0.2
328.11374	0.2
341.23349	0.7
342.23700	0.6
392.18372	0.2
399.64691	0.2
403.12570	0.3
404.12637	0.4
535.15527	0.2
541.66711	0.2
598.18994	0.2
733.37524	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.6
61.98704	100.0
63.78815	0.1
69.85987	0.4
69.86404	0.4
71.01261	0.3
72.99177	0.5
75.00747	1.5
77.65724	0.1
85.02802	0.1
87.00787	0.2
88.98694	0.2
89.02323	0.2
96.95922	0.3
107.01258	0.2
109.06479	0.3
113.02362	0.2
124.88807	0.1
125.02354	0.3
163.11255	0.2
169.01407	0.3
171.10226	0.6
197.11757	0.3
205.38815	0.2
205.72844	0.1
207.10240	0.5
208.10495	0.2
209.11850	0.9
211.13391	0.6
223.09750	0.2
225.11295	0.3
227.12889	0.2
237.43257	0.1
239.06967	0.2
253.09329	0.2
273.17197	0.2
279.08734	0.2
401.08664	0.2
610.00098	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25017	1.5
59.01250	18.0
61.98717	3.2
65.70460	1.7
68.39297	1.7
69.30180	13.2
69.30592	5.1
71.01269	6.6
79.41424	2.2
84.97327	1.9
87.00761	4.4
87.32851	1.7
89.02327	6.6
93.57807	1.9
95.01283	2.6
96.95920	6.1
101.02336	5.8
107.01279	4.0
113.02345	4.1
119.03396	3.2
121.02814	1.7
123.00783	2.0
125.02301	8.9
134.03644	3.0
136.01569	6.0
137.02374	2.6
147.04486	2.0
147.71120	1.7
149.06041	2.6
150.03180	4.8
151.00285	2.2
151.03944	5.6
160.01540	1.9
161.09636	3.4
165.01834	2.8
165.05478	3.9
169.01390	12.0
182.32471	1.7
187.11238	5.4
189.09166	3.4
190.05336	1.8
195.06506	4.1
205.12375	2.2
217.01544	1.9
223.13406	4.0
241.05171	4.0
245.00824	2.9
249.11412	4.6
255.02824	3.6
256.07562	4.2
267.12292	3.3
271.09827	6.8
275.01837	2.1
297.00525	2.0
297.04013	2.4
299.99088	4.4
300.99823	12.1
301.03198	3.3
311.01944	2.9
312.02582	2.1
324.99838	2.3
325.03555	6.1
353.03137	12.6
355.25116	2.4
369.15540	3.6
373.25967	7.6
397.05615	30.0
398.06012	3.2
429.08273	100.0
430.08429	10.6
509.23877	2.1
551.21204	2.5
578.97516	2.4
634.08032	3.0
731.14484	3.4
731.29230	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	731.0414
Annotation	Unknow
Peak:m/z	Relative Intensity
68.96704	0.6
70.09848	2.1
70.10275	1.7
79.95602	3.2
84.90287	0.6
96.95890	100.0
109.35650	0.7
123.00809	0.8
125.02338	1.5
161.02417	0.7
169.01350	1.3
173.02298	1.1
177.01814	0.8
185.02255	0.8
201.01898	0.7
203.03465	1.7
229.01358	2.2
231.02919	0.7
245.00919	2.9
257.00919	2.3
273.00394	2.6
274.01151	1.0
275.01938	4.7
280.83444	0.7
299.99017	1.4
300.99893	33.9
302.00223	2.7
317.00064	0.8
361.25595	0.7
397.42886	0.7
544.15417	0.7
598.98938	0.7
633.07324	34.7
634.07770	6.5
650.87903	0.6
682.98199	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
67.30368	37.6
67.30735	40.2
69.13027	35.8
70.54433	42.5
71.56475	41.1
71.56873	41.4
78.95747	40.6
88.77425	40.2
180.24400	43.0
197.11748	60.3
281.24850	100.0
282.25247	67.5
306.67352	46.1
470.22180	49.1
576.42108	45.9
664.84552	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58881	0.4
56.47730	0.4
59.01252	2.1
61.98703	100.0
65.82830	0.5
66.52348	0.3
71.48754	0.8
71.49093	0.5
88.89101	0.4
110.11745	0.4
118.33018	0.5
155.08040	0.5
171.10176	5.3
172.10536	3.3
173.10716	1.2
185.79514	0.5
189.30353	0.4
209.11798	0.6
253.21919	0.5
277.21683	3.7
278.22055	4.4
279.22348	2.6
280.22806	0.8
281.24994	0.5
327.82919	0.4
336.66638	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	12.2
61.98700	6.1
69.34854	21.8
71.01249	9.9
72.99171	3.8
82.63409	2.1
83.04882	5.7
88.98689	5.7
89.02331	6.2
101.02320	8.8
103.93005	2.3
110.29752	2.1
113.02319	3.7
147.16620	2.2
161.04442	3.4
161.86206	2.8
163.11218	4.3
191.30214	2.2
195.13855	3.9
197.11743	10.6
201.11273	53.0
205.12329	3.1
207.10158	3.9
209.11771	100.0
210.12155	4.6
211.13338	10.5
223.13361	38.9
225.11275	3.2
227.12781	13.2
233.20557	2.4
235.08173	3.8
253.09276	21.8
284.97693	2.4
291.19678	3.9
309.20615	16.4
409.17581	2.4
412.74075	2.3
445.20422	2.8
537.55762	2.6
659.32245	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	729.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	28.2
61.98705	13.8
63.82146	3.2
65.06712	3.4
66.14065	3.3
71.01257	11.9
72.99179	5.7
73.02794	3.5
78.77946	3.9
81.56224	4.0
83.04894	8.3
87.00793	4.5
89.02353	7.1
96.95876	5.4
97.02898	4.1
101.02332	10.8
109.06475	6.0
111.08053	6.1
113.02298	8.4
116.46885	3.9
125.02332	4.5
127.11216	4.3
161.04520	6.4
171.10175	9.5
183.13832	4.9
195.13876	10.4
197.11726	24.5
201.11246	100.0
205.12277	12.0
207.10168	6.8
209.11771	92.1
210.12016	5.7
211.13385	21.3
223.13350	97.8
225.11267	6.1
227.12857	12.3
235.08261	7.7
253.09235	40.2
291.19769	10.2
309.20749	42.1
310.21539	3.7
355.86691	4.1
459.22253	11.5
501.17682	4.1
624.28534	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	727.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	21.7
64.06432	0.5
66.40413	0.5
67.10734	0.6
70.90100	1.7
71.01273	2.8
73.02825	1.2
78.95782	0.8
85.02858	0.6
89.02329	1.0
101.02318	2.9
113.02364	0.9
119.03467	0.8
123.65592	0.5
127.11208	1.7
137.14001	0.6
152.99509	0.6
155.54027	0.7
161.04474	1.0
171.10184	85.6
172.10515	4.3
179.05406	0.6
184.42824	0.6
209.11769	7.0
210.12155	4.0
211.12248	1.0
235.08188	3.6
253.09276	8.2
255.23227	2.0
259.20746	0.7
277.21716	100.0
278.22064	10.0
279.23276	6.1
280.23630	6.4
281.24457	4.2
407.19174	0.7
644.54242	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09154	0.6
59.01251	3.7
69.97402	0.5
71.01253	2.9
73.02816	0.8
78.95778	0.9
78.97212	0.5
80.02552	0.6
83.04888	2.5
83.29206	0.5
85.02814	1.2
85.70459	0.6
86.54304	0.5
87.00744	0.9
89.02328	1.6
101.02319	2.0
106.90410	0.5
113.02353	1.2
113.07524	0.6
119.03426	0.7
161.04425	1.5
163.11174	2.5
165.12733	1.5
191.10715	0.6
209.11774	57.8
210.12097	4.6
227.12839	6.1
229.28024	0.8
235.08229	5.1
253.09258	6.6
281.24857	100.0
282.25214	8.9
492.72162	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27176	0.4
59.01253	18.6
65.94894	0.5
70.89931	1.1
71.01267	1.4
78.95782	0.9
81.16375	0.5
85.02820	0.6
85.48830	0.4
87.06081	0.4
89.02326	1.7
98.19906	0.5
101.02307	1.6
113.02354	0.7
125.09584	1.0
127.11189	2.0
138.39946	0.5
152.99557	0.7
161.04362	0.5
171.10185	100.0
172.10532	4.0
196.69019	0.4
206.85413	0.5
209.11784	1.6
210.12033	0.8
214.79706	0.6
235.08180	2.1
241.43436	0.5
253.09355	6.5
255.23227	1.2
277.21729	60.2
278.22067	6.0
279.23318	0.8
280.23676	0.7
281.25003	0.6
407.19232	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86646	1.5
58.28316	1.6
59.01254	38.8
61.98699	1.5
71.01262	4.9
78.95784	3.5
87.00767	1.8
89.02356	2.0
99.02634	1.7
101.02329	4.5
113.02370	2.3
114.64103	1.5
127.11176	2.0
129.07524	1.5
130.30182	1.6
151.11209	2.4
169.10835	2.1
169.12259	37.7
171.00714	1.7
171.10185	100.0
172.10527	2.5
209.11804	4.3
210.12114	2.5
213.11276	4.4
231.12341	2.8
235.08101	2.2
235.77824	1.9
241.14503	3.3
253.09253	7.4
277.21738	43.9
278.22076	6.3
279.22699	2.7
407.19394	2.5
449.20117	2.8
467.21393	2.6
709.41315	6.2
727.42755	95.8
728.43268	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	727.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	35.8
61.98688	8.4
69.03335	2.9
71.01246	15.0
71.56569	3.0
71.56997	3.3
73.02814	5.0
78.95771	2.5
81.03330	3.2
83.01253	3.3
83.04879	4.4
85.02820	4.3
87.00726	4.4
87.74579	2.4
88.98659	11.2
89.02315	10.1
95.01275	2.7
95.04897	3.0
96.95890	4.2
97.02806	7.3
99.00756	3.6
101.02317	9.7
109.06477	39.0
113.02312	8.8
119.03414	2.9
121.06512	3.5
125.02344	3.0
125.09618	2.8
137.09622	2.9
161.04442	4.5
163.11162	22.8
167.10626	3.9
171.10193	6.5
181.12238	8.8
183.13754	2.3
185.11717	4.6
195.13828	8.3
197.11647	3.8
199.09654	6.6
199.67772	2.5
201.11243	20.7
204.43472	2.4
205.12260	12.3
207.10207	100.0
208.10590	7.5
209.11804	10.0
211.13368	8.3
223.13338	75.3
224.13756	2.7
225.11253	47.5
226.11612	3.2
235.08086	7.5
253.09261	18.8
284.93155	2.3
289.18057	6.6
307.19147	7.9
309.20477	5.5
321.44788	2.6
351.23236	2.6
385.23929	4.4
395.22244	9.4
403.24829	4.0
413.23340	20.6
431.24197	8.9
443.19250	7.4
459.22595	3.2
461.20468	20.6
462.20929	3.5
621.32538	4.4
631.31372	4.7
649.32251	36.4
650.32794	4.9
667.33337	44.4
668.33838	7.9
727.38702	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	727.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	42.6
61.98707	23.5
71.01268	46.7
71.57835	9.1
73.02786	6.7
73.04321	5.7
78.95779	7.3
82.95284	91.5
83.02390	47.0
88.98666	10.9
89.02330	19.0
96.95926	13.7
99.24912	7.1
101.02334	24.3
113.02335	12.5
115.51090	6.9
119.05161	6.5
125.02296	18.0
125.09626	6.8
140.70703	6.9
145.02820	15.3
169.01315	11.0
171.10185	22.9
181.12317	6.3
185.04671	7.4
185.11728	8.6
197.11778	11.7
199.09680	14.6
199.13478	6.6
201.11295	28.2
207.10265	29.6
209.11813	29.3
210.12097	9.2
211.13326	100.0
225.11336	23.6
227.12851	19.6
235.08153	8.8
253.09239	15.2
293.21216	64.4
294.21509	10.0
300.99969	9.1
355.24777	12.7
357.26407	9.8
375.27441	45.1
397.13599	16.8
415.14642	15.6
433.26001	8.9
450.58655	7.4
655.33307	15.8
656.95160	7.7
667.39594	9.3
727.33649	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	727.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32666	1.1
59.01030	1.1
59.01252	11.7
61.98689	3.7
71.01258	8.2
71.58015	1.6
72.99175	2.1
73.02799	1.7
75.64969	1.3
75.69913	1.2
79.83369	1.3
81.03327	1.9
83.01244	1.5
85.02825	1.8
87.00747	1.5
88.98667	2.2
89.02310	4.3
95.01221	1.8
96.95886	5.4
101.02347	2.6
107.01234	2.1
113.02306	2.4
123.00758	4.7
125.02331	11.9
137.02353	2.3
151.00186	1.7
161.04443	2.6
165.05431	1.5
168.00513	1.5
169.01331	17.1
170.01619	1.3
171.10176	2.3
175.03885	1.9
183.04102	1.2
191.05502	1.6
193.01262	1.5
200.01050	2.0
201.11258	26.5
205.05022	2.1
209.11769	100.0
210.12051	5.8
216.00587	1.6
223.06059	2.2
227.12846	22.0
228.13330	1.5
229.01338	2.2
235.08220	6.4
242.99138	2.0
243.99849	1.5
253.09328	10.6
271.02362	1.6
275.01828	1.8
285.04053	1.6
298.98355	1.6
299.99124	47.9
300.02505	2.4
300.99872	33.3
301.03384	3.6
302.00211	3.2
311.09183	2.2
315.01596	1.5
393.22797	2.1
437.20114	1.8
445.20795	10.2
463.05032	5.4
463.22137	1.6
629.31219	3.0
667.40350	1.8
727.18817	19.2
727.33075	13.5
728.18915	4.4
728.32306	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	725.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	3.6
71.01264	2.7
73.02818	0.5
78.95768	0.7
80.02550	0.9
81.03343	1.1
83.01264	0.4
83.04900	4.3
84.02039	0.8
85.02833	0.5
87.00769	0.4
89.02322	2.0
95.04884	0.4
101.02320	2.1
107.59308	0.2
109.06479	0.4
113.02390	1.2
119.03433	0.4
125.05959	0.6
127.30788	0.2
134.45380	0.2
135.08095	0.6
152.99458	0.6
161.04498	0.8
163.11205	4.2
164.11426	0.2
165.12773	2.4
166.13139	0.3
166.23532	0.2
171.10181	0.3
179.05476	0.3
181.12288	0.6
183.13828	3.9
184.14165	2.7
185.14478	0.5
191.10707	0.8
201.11192	0.3
207.10280	0.5
209.11780	100.0
210.12111	5.0
225.11237	0.5
227.12854	9.9
228.13152	0.5
229.94157	0.3
235.08208	1.0
242.79243	0.2
253.09273	7.4
277.21854	1.3
278.22037	1.7
279.23294	52.6
280.23657	4.7
445.20767	0.6
463.21768	0.3
520.06348	0.3
534.91772	0.2
707.37799	0.5
725.44348	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	727.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.2
67.58718	0.8
69.32117	8.7
71.01254	1.8
80.11758	0.9
85.02845	0.9
95.01257	1.2
98.23471	0.8
99.99284	0.8
102.00234	0.7
107.01269	1.1
107.04893	1.4
108.67018	0.7
115.43669	0.8
116.92766	6.9
119.04934	1.0
119.92930	0.8
123.00751	2.7
125.02357	3.8
133.02835	1.1
135.04367	1.8
137.02386	1.1
145.02834	2.3
147.04382	1.1
153.05482	1.5
157.02901	1.7
159.04390	1.4
161.02393	1.5
163.03902	1.8
166.99710	1.2
169.01329	5.0
173.02342	4.2
175.03937	1.8
185.02405	3.6
189.01868	2.8
190.02588	2.7
191.03447	10.7
191.13402	0.8
201.01875	5.5
203.03445	2.6
213.01939	1.0
214.02670	1.1
217.01375	3.2
219.02946	3.9
226.99844	1.5
228.00552	1.3
229.01341	7.8
231.02954	2.9
245.00919	8.6
247.02429	1.6
249.04030	1.0
257.00885	5.7
258.01627	3.0
263.01953	6.9
273.00458	8.6
274.01123	4.1
275.01971	12.3
276.02237	1.1
283.99557	3.5
284.02560	0.8
285.03995	1.7
287.01920	2.0
299.99088	3.2
300.99905	100.0
302.00333	7.4
314.00653	0.9
328.22055	1.2
329.03061	1.2
419.06351	2.2
431.93567	0.9
463.05154	19.3
464.05505	2.3
609.12793	1.1
648.37933	1.0
727.07843	42.1
728.08173	8.6
741.80676	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	4.4
65.49667	0.5
71.01247	3.1
71.15087	0.5
71.56673	1.3
72.31810	0.6
73.02806	1.1
78.95775	5.0
80.02537	1.2
80.96400	0.9
81.03336	1.0
83.04871	4.8
84.02042	1.4
85.02816	0.9
87.00775	0.7
89.02296	1.8
94.97950	0.6
95.04882	0.9
96.61021	0.6
96.96807	0.9
101.02326	3.3
102.08987	0.7
107.64180	0.6
108.22700	0.6
113.02351	1.0
125.09579	0.8
135.07993	0.9
145.04919	0.7
152.99487	6.7
156.32578	0.6
161.04445	1.1
162.07332	0.6
163.11188	3.9
165.12723	1.5
171.10234	3.5
183.17540	0.8
188.61813	0.6
191.10757	1.1
207.10216	1.5
209.11777	100.0
210.12099	6.4
211.12392	0.9
225.11273	1.9
227.03249	0.6
227.12839	10.6
228.13037	0.9
235.08289	4.2
253.09245	8.0
253.21736	1.3
254.22070	1.1
255.23259	1.4
277.21823	0.9
279.23297	94.4
280.23648	8.6
309.31204	0.6
399.14218	0.8
445.21021	0.6
453.14923	1.1
471.16187	1.8
488.19968	1.6
489.19760	1.9
630.48804	0.7
707.37744	2.1
725.42120	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	725.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.2
59.01258	6.9
67.07633	1.1
69.03330	1.3
70.04170	4.9
71.01255	6.6
73.02816	2.0
78.95766	1.0
83.04884	2.4
85.02802	2.9
87.00739	1.4
89.02330	2.8
95.04895	2.3
97.06451	7.4
98.19952	1.5
101.02323	6.0
113.02331	1.9
121.06012	1.0
135.23659	1.0
143.82069	1.1
145.04955	1.0
149.09612	1.2
151.11197	18.6
161.04425	2.1
169.12260	55.4
170.12602	1.6
172.19148	1.0
195.10170	3.0
195.13802	8.0
209.11755	1.6
211.13361	1.2
213.11296	7.4
215.78889	1.1
223.13446	5.1
235.08241	1.7
253.09242	5.3
275.20145	4.4
293.21243	34.7
294.21579	2.7
305.15900	1.2
316.36218	1.0
422.84851	1.1
431.19193	1.9
449.20276	4.2
461.38834	1.0
725.41156	100.0
726.41632	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	725.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.6
59.01252	10.3
59.09170	1.2
69.03306	1.5
71.01256	7.5
73.02840	1.1
75.00751	4.1
78.95779	14.6
83.01225	1.0
85.02805	1.6
87.00765	1.2
88.68754	1.0
89.02327	2.1
95.01260	1.7
95.04866	2.0
97.02787	1.0
97.06480	1.4
98.19739	2.1
99.00748	1.7
101.02315	4.4
109.06490	1.7
113.02335	2.4
119.03400	1.9
125.09605	3.9
129.43294	1.2
139.11176	1.9
141.12709	1.7
151.02205	1.2
152.99495	18.2
156.80237	1.1
163.11186	2.8
165.12700	1.4
167.10612	5.3
170.48888	1.3
171.00552	2.7
171.10181	17.0
174.74182	1.0
181.12152	1.4
185.11758	100.0
186.12025	3.2
197.11700	2.1
199.13388	1.7
200.13695	1.4
201.11302	3.3
207.10240	4.1
209.11772	33.5
210.12195	7.1
211.13478	5.9
225.11258	5.8
226.11736	1.4
227.03183	1.4
227.12859	10.3
228.13148	4.4
229.10886	2.1
235.08018	1.6
253.09212	8.8
253.21727	5.7
277.21713	43.9
278.22034	15.7
279.23257	15.2
280.23737	1.2
295.22879	3.0
341.09622	1.1
379.11554	1.3
399.14197	4.8
453.15344	6.8
465.19971	3.3
471.16568	8.2
689.37274	1.6
707.37708	9.2
708.37836	2.2
725.41119	58.2
726.41669	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	725.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59397	0.4
59.01250	6.7
61.98705	0.5
65.03132	0.5
69.03333	1.7
71.01251	3.4
72.99206	0.5
78.73658	0.4
83.04890	0.8
85.02828	0.9
87.00726	0.9
89.02311	3.0
97.02829	1.2
101.02312	2.6
111.08044	3.6
113.02330	1.5
119.03408	0.6
125.02305	0.9
141.09068	0.5
151.11234	0.5
153.09024	0.8
153.12735	1.2
161.04475	1.2
165.12794	0.5
167.10638	1.1
169.12254	7.7
171.10291	0.7
179.05476	0.5
179.10716	0.9
179.14340	0.7
181.12187	0.5
184.74376	0.4
186.71452	0.4
189.25417	0.4
195.13838	1.7
197.11765	100.0
198.12099	4.6
199.13274	1.4
205.12370	2.1
209.11713	0.7
211.13330	2.9
212.13611	0.6
216.26454	0.4
223.13362	24.3
224.13776	2.0
227.12895	0.6
235.08235	3.5
249.12257	0.4
253.09254	12.3
263.20074	0.9
273.18625	0.7
291.19659	11.3
293.21332	0.5
309.20709	26.7
310.21225	2.2
310.24240	0.5
433.20795	3.0
441.21237	0.5
449.30234	0.6
459.22327	2.7
489.32166	0.9
545.29694	0.6
647.34973	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96852	0.8
53.02492	0.9
57.03325	5.0
59.01253	31.9
61.98704	6.3
70.32331	2.1
70.32722	2.6
71.00870	0.9
71.01250	22.1
72.01577	1.1
72.99190	2.6
73.02812	1.3
75.00749	1.8
80.91569	1.8
81.03326	1.3
83.04908	2.2
85.02828	3.9
85.06474	2.5
87.00770	1.4
87.04408	9.3
88.98699	2.7
89.02320	14.4
95.01311	1.9
95.04893	4.3
96.95907	2.1
97.02839	2.2
97.06491	1.4
101.02322	10.4
101.05965	5.7
109.06451	5.7
113.02335	7.2
114.42507	1.1
119.03386	6.1
125.02334	1.3
125.05951	1.3
142.02527	1.4
146.25652	1.0
161.04492	3.4
163.11171	4.3
168.00522	1.3
169.01306	2.3
171.10167	1.6
172.10625	1.0
179.05554	5.3
197.11728	3.7
207.10213	18.9
208.10521	3.4
209.11807	15.3
211.13309	7.7
219.10124	2.2
223.09761	1.3
225.11278	12.5
226.11737	1.2
227.12802	2.4
235.08281	1.8
253.09285	3.3
327.23181	1.7
339.23291	1.4
343.26471	2.2
351.23227	1.5
355.26550	2.4
367.26346	4.1
371.29651	2.2
383.29440	7.5
385.27426	3.7
399.28900	1.5
401.30710	3.5
415.31924	2.1
423.32501	4.0
425.30576	1.8
441.33731	25.4
442.34201	3.4
443.31601	1.3
459.34872	18.9
460.35117	3.8
461.20309	2.8
485.32703	21.4
486.32993	2.5
503.33786	100.0
504.34320	14.0
527.33630	4.3
545.34845	9.3
595.03864	1.2
651.30194	1.4
665.39148	2.3
671.31836	1.3
725.35199	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69275	0.4
56.82904	0.5
59.01248	4.7
69.03320	0.6
69.53915	0.4
71.01246	3.4
73.02810	1.2
78.95777	0.6
83.01296	0.4
85.02813	1.0
86.24062	0.4
89.02319	1.9
99.16914	0.5
101.01719	0.6
101.02290	2.6
111.08044	4.6
113.02320	1.2
119.03413	0.5
151.11221	0.5
153.09137	1.0
153.12776	1.5
161.04454	1.2
169.12247	6.6
170.57016	0.5
179.05495	0.6
179.10738	0.7
181.12256	0.7
197.11763	100.0
198.12115	4.6
199.13336	1.7
209.11725	1.9
211.13304	3.2
227.12860	1.0
235.08153	3.6
253.09296	10.2
263.20078	1.5
273.18375	0.7
279.19662	1.8
291.19675	8.7
292.20007	0.9
309.20703	26.3
310.21121	1.8
433.20825	3.5
489.32117	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.7
59.01251	10.2
61.98700	0.4
69.03325	2.4
70.12751	0.3
71.01259	4.8
71.04889	0.5
72.99168	0.9
73.02804	0.8
73.99557	0.3
78.95773	0.4
80.02586	0.4
83.01294	0.4
83.04899	1.0
85.02831	1.3
87.00750	1.1
89.02331	3.1
95.00726	0.3
96.95897	0.5
97.02840	0.6
97.06458	0.6
99.00750	0.4
99.25862	0.4
101.02325	3.7
105.19035	0.3
111.08052	4.1
113.02352	2.2
119.03395	1.0
121.73108	0.4
123.08010	0.6
125.02296	0.6
125.09731	0.4
127.07566	0.4
143.03331	0.4
145.04922	0.9
151.11162	0.5
153.09073	0.7
153.12740	1.6
161.04507	1.7
165.12733	0.4
167.10716	1.5
169.12259	7.6
171.10129	0.8
179.05527	0.7
179.10727	1.3
179.14328	1.3
180.84837	0.4
181.12248	0.7
188.06963	0.3
193.12259	0.5
195.13837	5.6
197.11766	100.0
198.12106	4.7
199.13315	1.3
203.10823	0.4
205.12302	5.2
209.11778	1.6
211.13324	3.0
216.69710	0.3
223.13353	50.7
224.13684	2.6
227.12801	1.1
235.08199	4.4
249.14948	0.7
253.09283	11.5
254.09634	0.5
263.20197	1.3
265.18250	1.0
291.19684	10.7
292.19916	0.5
293.21283	0.9
296.19684	0.4
306.82361	0.4
309.20715	27.6
310.21194	2.0
429.26685	0.7
433.20700	2.8
441.21341	0.9
459.22269	6.3
460.22589	0.6
489.32291	0.6
545.29486	0.7
647.34302	0.7
665.35889	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71666	5.7
59.01252	22.2
61.98693	11.7
71.01244	8.4
78.95767	8.2
80.93609	4.9
83.04913	6.1
88.98700	8.4
101.02328	6.9
125.02373	5.6
159.08290	4.8
180.99875	5.5
182.21515	4.5
187.07327	4.7
209.11781	100.0
211.13353	95.4
227.12920	29.5
253.09349	7.0
319.66946	5.8
329.85300	4.9
361.70758	5.3
393.27719	6.6
424.50742	5.2
447.22180	12.4
448.21790	5.1
639.33929	7.0
725.35162	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	725.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	41.4
61.98706	16.6
69.98815	33.1
71.01268	17.4
72.99200	8.4
75.00765	14.4
78.95775	11.6
87.00723	9.9
88.98680	14.4
96.95885	21.9
101.02332	16.2
113.02363	9.7
125.69299	7.1
131.95525	7.2
161.04356	7.3
194.88315	8.6
209.11800	88.7
211.13373	100.0
227.12875	14.2
253.09384	13.9
371.20584	13.0
371.24655	15.2
400.13086	7.8
405.34821	8.6
445.20599	10.5
447.22360	10.6
503.34830	10.1
550.17426	8.2
725.34882	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	725.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.2
57.03313	1.0
59.01244	3.8
61.98683	1.3
66.23100	0.9
67.01750	3.5
69.03310	3.8
71.01244	5.0
72.99171	1.2
73.02822	2.0
74.72165	0.8
79.01768	2.8
81.03319	1.8
83.04868	0.9
85.02827	2.0
87.00735	1.8
88.98666	1.1
89.02295	1.7
93.03322	2.9
95.01252	9.2
96.95885	1.8
97.02834	4.2
98.20667	1.9
99.00763	2.0
101.02328	1.8
107.01270	21.4
109.02798	1.2
111.00761	4.7
111.04368	1.6
113.02343	1.8
114.42744	0.9
119.03359	1.1
119.04922	1.5
120.99317	1.0
123.00771	28.1
124.01550	3.5
125.02339	100.0
126.02681	1.7
127.00262	2.0
133.02820	1.0
135.04375	1.1
136.98660	2.7
137.02313	1.0
139.00262	8.1
139.59390	1.1
140.01024	8.1
141.01794	3.0
145.02786	1.2
147.04387	1.3
151.00252	6.4
153.01773	1.4
154.99725	1.0
161.02321	1.2
163.03893	2.1
165.05457	1.2
166.99744	6.9
168.00540	12.1
169.01340	95.6
170.01657	3.2
171.10118	1.7
173.04483	4.4
175.03922	2.6
177.01703	1.1
179.03406	0.9
191.03404	0.9
193.04988	1.2
209.11734	2.2
210.15529	1.0
249.03928	1.8
255.02979	2.3
271.02396	1.2
284.03131	1.6
285.04089	4.1
295.04532	1.4
300.99808	2.2
304.19940	1.0
385.09195	2.6
387.10706	2.0
403.10370	9.6
410.46033	1.1
421.11380	17.8
422.11703	1.6
514.34332	1.0
536.77502	1.0
555.11414	27.5
556.11810	2.8
573.12451	46.3
574.12885	5.7
577.94788	0.9
689.34149	1.0
725.13562	69.1
726.13977	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	723.4338
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
59.01259	7.5
71.01253	5.7
73.02846	1.6
78.95784	13.8
80.02550	1.5
81.03326	2.0
83.01273	1.6
83.04869	2.8
87.00750	1.8
89.02318	2.0
101.02306	4.7
113.02322	3.5
152.99489	17.8
161.04524	2.2
163.11198	3.6
165.12769	10.5
171.00616	1.5
183.13828	65.2
184.14182	2.5
199.13239	2.2
200.63113	1.5
207.10202	3.3
209.11777	58.0
210.12106	4.7
225.11229	4.8
227.03250	2.0
227.12819	12.6
229.78609	1.8
235.08180	3.7
253.09207	7.1
253.21725	8.0
277.21725	100.0
278.22107	11.5
279.22955	3.0
350.86621	1.2
353.12170	1.7
445.20654	2.7
455.16971	3.0
463.21341	3.5
487.19485	24.4
488.19855	3.5
723.42914	56.3
724.43127	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	723.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64317	0.2
55.01768	0.3
56.35727	0.2
56.48540	0.2
57.51698	0.2
59.01254	4.3
59.89589	0.2
69.03353	0.4
71.01251	3.4
73.02826	0.7
76.79472	0.2
79.37405	0.2
80.02557	1.0
81.03331	1.5
83.01262	0.5
83.04895	4.7
84.02034	0.8
85.02817	0.7
87.00755	0.7
89.02316	2.1
95.01308	0.2
95.04918	0.7
97.02814	0.3
98.20587	0.4
99.00748	0.3
101.02323	2.6
104.14543	0.2
109.06454	0.4
113.02330	1.2
114.21209	0.3
119.03382	0.6
125.02331	0.2
125.05976	0.4
128.90549	0.2
135.08092	0.6
143.03287	0.2
144.83398	0.2
161.04477	1.2
163.11192	4.2
164.11392	0.2
165.12762	2.3
179.05594	0.4
181.12233	0.7
191.10684	0.9
199.13310	0.5
207.10139	0.5
208.10577	0.5
209.11774	100.0
210.12093	5.3
212.78806	0.2
213.54657	0.2
225.11259	0.5
225.90491	0.2
227.12846	10.1
228.13181	0.7
229.31055	0.2
235.08224	2.5
253.09262	8.7
254.09502	0.5
259.20541	0.3
277.21719	68.2
278.22064	7.2
279.22473	0.4
415.95038	0.2
437.02789	0.3
445.20773	0.7
513.96887	0.2
621.23981	0.2
723.42761	0.5
728.29456	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12713	0.3
58.00476	0.3
59.01247	4.6
71.01252	3.2
73.02838	0.5
80.02551	1.3
81.03337	1.1
83.01276	0.6
83.04897	6.2
84.02046	0.9
85.02827	0.7
87.00757	0.5
89.02325	2.4
95.04910	0.6
97.92303	0.3
101.02319	2.1
109.06468	0.4
113.02322	1.5
119.03384	0.4
125.05984	0.6
135.08046	0.9
147.11760	0.3
161.04468	0.9
163.11209	3.7
165.12752	2.2
169.91740	0.3
179.05450	0.4
181.12244	0.7
186.91805	0.3
191.10745	1.0
209.11783	100.0
210.12105	5.5
225.34181	0.3
227.12842	7.8
235.08179	0.9
253.09291	6.7
254.09607	0.3
277.21722	45.3
278.22012	4.2
344.60672	0.3
445.20667	0.5
447.74698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.5
59.01250	3.9
71.01251	2.6
73.02818	1.1
75.16711	0.3
76.15475	0.3
80.02530	0.8
81.03342	0.4
81.51443	0.3
82.03666	0.3
83.01250	0.5
83.04903	2.8
84.02026	0.6
85.02830	0.7
87.00762	1.2
89.02325	2.2
95.01267	0.3
95.04919	0.4
98.19760	0.7
101.02331	3.1
109.06532	0.3
111.00718	0.3
113.02341	1.6
119.03333	0.7
133.04988	0.5
135.08049	0.5
145.04930	1.0
159.70067	0.3
161.04482	1.3
163.11211	2.6
165.12743	1.3
181.12286	0.5
191.10718	0.5
209.11775	76.4
210.12097	4.4
227.12848	9.0
228.13203	0.5
233.22665	0.4
235.08168	5.3
253.09268	9.0
254.05423	0.3
254.09712	0.5
275.20123	0.5
277.21722	100.0
278.22064	8.8
376.94992	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.0
78.95781	29.0
80.02538	1.6
81.03322	2.5
83.04903	8.4
84.02009	1.4
95.04942	1.1
96.96838	2.1
105.30024	1.0
152.99507	43.4
160.29991	1.0
163.11195	4.3
165.12737	2.8
171.00580	4.6
181.12244	1.2
191.10727	1.9
196.76639	1.1
207.10170	2.7
209.11780	100.0
210.12141	5.8
210.43851	0.9
225.11298	1.9
227.03223	4.0
227.12857	11.1
245.04239	1.1
253.09378	1.3
253.21709	20.8
254.22227	1.5
277.21780	3.1
279.23315	4.4
357.79898	1.0
360.39789	1.0
363.12152	3.5
395.14542	1.5
437.15866	2.8
455.16830	9.8
456.17371	1.4
458.22540	0.9
483.04056	1.0
487.19485	65.0
488.19882	6.7
606.68427	1.0
691.38867	4.8
723.40936	42.4
724.41199	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	721.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.7
58.00476	0.7
59.01253	10.1
66.27347	0.5
67.01750	0.5
69.03314	0.8
69.82320	0.5
70.90445	0.7
70.90798	1.1
71.01253	7.5
72.99177	0.5
73.02821	1.0
81.03327	1.1
83.01255	0.8
83.04899	1.4
85.02825	1.6
87.00739	1.2
89.02324	5.7
93.03326	0.6
95.01260	2.0
95.04897	4.6
97.02834	3.9
97.06411	0.6
99.00740	0.6
99.04379	0.6
101.02327	4.2
106.04127	0.8
107.04887	0.6
109.02831	0.9
109.06477	9.0
110.03628	2.2
111.04396	1.5
113.02334	2.8
119.03391	1.1
121.06448	0.6
125.09620	0.4
135.08049	1.7
135.35283	0.5
143.03436	0.7
145.04993	0.7
145.10120	1.0
146.42967	0.5
149.09642	0.8
151.11139	0.7
153.12781	0.9
161.04427	1.5
161.09618	1.9
163.07594	0.5
163.09842	0.5
163.11203	10.1
169.12303	1.0
179.05527	1.5
179.10718	2.0
181.12248	2.1
183.40332	0.4
189.09145	5.6
197.11801	1.0
207.10211	33.0
208.10541	1.5
209.11838	1.4
210.77744	0.5
215.50885	0.5
225.11275	100.0
226.11620	5.6
235.08249	4.2
249.11398	0.6
253.09247	10.5
275.20126	0.8
277.21722	55.2
278.22018	4.0
299.14948	0.9
396.01035	0.5
443.19162	7.3
461.20273	18.2
462.20645	1.8
595.99042	0.6
721.41699	9.3
722.42023	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	721.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.7
58.00438	0.4
59.00954	0.5
59.01252	9.9
69.03340	0.7
71.01254	5.6
71.48251	0.6
73.02826	1.3
80.02555	0.8
81.03329	1.7
83.01273	1.1
83.04907	1.6
84.58861	0.4
85.02836	2.2
87.00767	1.5
89.02315	3.4
91.03887	0.5
92.72606	0.4
93.03378	0.5
95.04909	0.5
97.02833	5.3
99.00768	1.1
101.02334	5.2
107.04902	0.4
109.02864	0.5
109.06480	17.4
110.03626	1.3
113.02339	2.5
119.03391	1.1
121.06495	0.7
123.04443	0.7
125.09692	0.6
135.04771	0.5
135.08067	2.2
136.05228	0.9
142.02599	1.4
143.03444	0.5
145.04912	0.8
161.04437	1.4
161.09630	1.8
163.11209	11.0
164.11499	0.5
167.61359	0.3
179.10722	0.5
181.12263	1.8
189.09152	2.4
207.10207	52.7
208.10544	2.9
209.11769	1.2
225.11287	17.3
226.11610	1.2
229.64388	0.4
233.22714	0.5
235.08211	6.0
243.12228	0.5
253.09285	9.5
259.20520	0.5
277.21722	100.0
278.22070	8.4
299.14865	0.9
377.51489	0.4
441.33948	0.5
443.19257	2.4
461.20273	4.2
467.31519	0.7
559.36182	0.5
721.41718	21.8
722.41968	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	721.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71751	0.5
55.01755	0.9
57.03320	0.6
57.61230	0.6
59.01253	13.3
69.03324	0.8
71.01260	5.8
73.02814	1.5
80.02544	1.6
81.03349	3.4
83.01253	1.4
83.04900	3.1
85.02834	1.5
87.00735	0.8
89.02322	4.3
97.02818	6.8
98.19800	1.6
99.00763	1.6
101.02325	4.8
106.04133	0.9
107.04907	1.3
109.06476	35.3
110.03642	1.4
110.06825	1.6
111.00755	0.8
113.02340	3.3
113.80720	0.6
119.03384	0.7
121.06485	2.4
123.22790	0.5
135.08052	4.3
136.05179	1.6
142.02635	1.2
161.04488	1.9
161.09616	1.5
163.09825	1.1
163.11197	20.6
164.11536	0.7
179.10692	0.7
181.12241	4.1
189.09088	2.8
207.10202	100.0
208.10574	5.6
209.11734	1.6
225.11273	36.5
226.11728	2.0
235.08183	2.5
243.12480	0.7
253.09236	12.4
254.09866	0.7
277.21713	73.5
278.22092	6.4
299.15051	1.5
376.29739	0.6
414.19827	0.6
423.32877	0.9
441.33755	1.7
443.19144	4.5
461.20258	13.3
462.20392	1.0
467.31503	1.0
473.78391	0.6
721.41614	25.1
722.42212	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.6
59.01251	11.7
60.62145	0.9
61.98706	16.3
69.37289	2.1
69.37695	7.9
71.01260	10.6
71.04896	2.8
72.99158	2.1
73.02833	2.7
75.00779	1.1
75.50848	1.2
78.95753	1.3
79.95594	1.9
80.96397	4.5
81.03333	2.6
82.99721	1.2
83.04900	4.0
85.02826	2.2
87.00745	3.6
88.98675	3.3
89.02321	5.7
94.97978	1.8
95.01266	2.1
96.95882	5.5
97.02843	4.1
97.06465	3.2
98.19823	2.6
99.00766	16.6
100.02544	1.1
101.02335	6.3
101.29449	1.1
107.01270	2.7
109.06479	2.8
113.02325	2.9
119.03392	1.5
123.00773	4.2
123.08062	1.5
125.02329	8.0
125.09618	6.5
127.41096	1.4
130.74730	1.1
135.08130	1.5
150.03181	1.4
151.00258	2.4
153.12810	1.3
155.07097	2.8
161.02295	1.5
161.04428	2.2
163.11208	15.8
164.45769	1.1
164.98466	1.2
168.00572	2.8
168.89227	1.2
169.01357	14.5
169.12263	1.6
170.01698	1.3
171.10188	5.6
181.04987	1.4
181.12259	19.9
182.12726	1.4
185.11684	2.0
197.11772	2.6
199.13329	11.8
207.10228	26.0
209.11789	42.9
210.12111	4.5
225.11272	36.9
226.11629	1.8
227.12837	4.3
235.08209	1.4
243.12369	22.9
253.09195	3.0
255.06601	3.1
272.74371	1.2
289.10468	3.3
299.99072	2.0
300.02557	1.8
300.99753	3.7
301.03162	1.8
400.86255	1.2
461.20142	2.9
479.21344	8.5
503.33063	1.3
537.07715	1.2
569.12701	5.8
570.13080	1.8
671.32990	3.1
689.33887	100.0
690.34229	18.4
693.08344	1.5
721.30957	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24702	1.8
57.03319	3.6
59.01254	11.3
61.98708	12.3
62.58212	1.1
69.03279	1.5
71.01253	9.4
71.04879	3.2
71.57941	2.3
72.99171	2.2
73.53091	1.3
78.95744	1.4
80.96397	5.5
80.99350	1.5
83.01258	2.6
83.04902	3.7
85.02827	2.2
87.00738	1.7
88.98683	2.2
89.02312	3.9
94.90791	1.2
96.95876	3.4
97.02837	4.3
97.06473	3.4
99.00761	17.6
101.02320	4.3
109.06471	2.1
113.02302	3.0
121.02866	1.5
123.00761	2.5
123.08082	2.3
125.02339	8.2
125.09634	7.1
139.00166	1.4
151.00302	2.1
155.07040	4.0
161.02242	1.4
163.11243	14.9
165.12738	1.6
169.01376	10.5
171.10201	5.4
179.10869	1.2
181.12286	16.9
184.88454	1.2
197.11760	3.1
199.13301	12.2
207.10239	22.9
208.10609	1.8
209.11795	44.2
210.12128	3.2
211.02333	1.4
218.56396	1.4
225.00583	2.3
225.11284	40.5
226.11653	1.7
227.12840	4.2
243.12328	21.4
244.12691	1.7
253.09399	2.4
255.06577	4.5
271.02402	2.2
277.47278	1.5
299.99329	1.7
300.02734	3.8
300.99835	4.7
301.03278	3.1
461.20297	2.7
479.21249	10.5
569.12921	3.7
571.87079	1.6
649.99603	1.5
658.35590	1.8
671.32599	2.3
689.33856	100.0
690.34271	13.9
693.76721	1.4
717.39850	1.5
721.31635	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00459	1.9
59.01248	11.3
60.26759	1.6
61.98702	96.9
69.03313	2.2
70.15325	5.3
71.01254	67.3
71.23412	1.6
72.99165	4.2
73.02827	4.2
78.95770	1.9
80.02554	2.3
80.96390	5.3
81.03321	3.5
83.01260	2.1
83.04894	7.9
85.02811	4.2
87.00770	3.0
88.98689	1.8
89.02316	7.2
95.04909	1.8
96.95896	2.6
97.02834	5.1
98.20562	2.1
99.00768	4.8
101.02332	7.7
106.82459	1.8
107.01273	1.9
109.06464	11.4
111.04346	1.7
113.02320	5.2
123.00805	2.9
125.02368	8.3
125.09615	2.9
135.08032	3.1
138.49269	1.7
163.11174	14.0
165.12697	2.3
166.99820	2.2
169.01326	7.7
171.10149	20.5
181.12216	6.4
185.11736	4.0
197.11674	2.3
199.09683	2.0
199.13341	10.0
201.11314	8.8
202.02744	3.1
205.36974	1.7
207.10193	31.7
209.11784	100.0
210.12123	6.7
211.13396	2.9
211.48334	1.9
225.11282	33.3
227.12836	13.7
235.08134	2.5
243.12231	4.7
253.09216	8.4
300.99927	2.3
395.66245	2.1
417.22412	2.7
461.20132	9.0
479.20999	1.9
545.15057	2.0
653.30658	3.0
671.32745	5.5
689.33813	13.2
721.37512	14.9
722.36267	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	721.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	22.1
61.98709	25.1
69.03316	5.1
71.00900	4.6
71.01255	75.6
73.02829	3.2
75.00749	5.6
79.95603	6.9
80.96394	45.6
82.39729	3.4
83.04895	11.9
84.02029	3.1
85.02840	5.5
87.00754	4.3
89.02316	8.7
94.97987	8.0
96.95888	4.9
97.02825	7.7
98.19682	5.1
99.00749	5.2
101.02318	12.2
102.70225	3.4
109.06460	11.5
113.02336	7.9
114.87656	2.9
125.02338	7.7
125.09587	3.8
163.11182	16.7
164.98590	8.5
165.12759	3.5
166.99889	4.4
169.01318	8.5
171.10136	15.6
181.12257	11.1
199.13358	8.7
201.11220	5.3
207.10222	31.7
209.11789	100.0
210.12097	11.8
211.13397	4.9
225.00717	14.4
225.11244	36.8
227.12834	10.1
235.08212	4.9
243.12363	7.1
253.09207	11.0
273.16989	9.0
274.17343	8.6
282.90591	3.6
301.00150	5.6
340.19046	3.2
399.22217	3.3
461.20123	9.5
499.30481	5.4
512.05951	3.1
519.33960	3.2
525.63434	3.3
671.32867	3.9
689.33459	10.2
721.30304	51.4
722.31927	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	721.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00460	2.4
59.01253	38.8
61.98704	13.1
71.01258	36.4
71.48632	5.4
72.99198	3.4
73.02824	5.3
78.95794	11.5
83.01244	4.1
85.02835	8.5
87.00748	6.8
89.02322	27.8
95.01286	2.6
97.02840	6.0
101.02328	21.5
107.25763	2.3
113.02339	9.9
119.03398	8.3
125.02317	12.4
143.03481	3.0
152.99493	4.5
161.04498	5.2
169.01341	4.1
179.05519	4.5
201.71858	2.1
207.10204	3.9
209.11716	20.4
211.13326	6.2
220.59622	2.4
221.06590	2.6
225.11317	4.2
235.08017	11.7
253.09167	3.6
263.20151	65.7
264.20496	5.1
277.21613	4.1
287.07739	3.0
293.21225	6.6
300.99704	2.9
305.08731	5.2
397.13477	100.0
398.13782	7.5
415.14554	34.4
476.44446	2.9
676.69153	2.4
697.74536	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	721.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01811	0.6
59.01245	2.3
61.98706	12.3
62.49817	0.6
63.96111	1.7
71.01256	11.4
71.70341	0.6
73.02825	1.6
78.95770	1.3
78.98463	7.1
79.95611	15.1
80.96394	91.2
81.03352	0.8
83.01259	0.8
85.02828	3.5
87.00764	3.8
87.28215	0.7
88.98656	0.8
94.97967	18.4
96.95895	2.0
97.02840	1.9
98.19731	0.9
99.00733	1.0
99.04398	0.8
101.02318	3.4
106.97977	4.1
113.02327	1.0
122.97471	3.5
122.98204	0.6
123.00765	1.2
124.93365	0.6
125.02328	5.0
127.03864	0.6
132.80058	0.6
134.97478	5.4
136.99034	2.1
148.99045	7.5
152.98537	7.2
164.98546	14.0
169.01302	1.9
197.11786	1.7
206.99657	4.0
209.11792	8.2
210.12161	1.3
211.13364	4.6
212.13705	0.7
225.00710	24.5
227.12822	1.3
493.17331	2.2
507.45688	0.6
509.16806	1.6
616.02948	0.7
647.34070	1.7
721.31030	100.0
722.31494	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	721.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04070	1.2
59.01265	6.1
67.01748	1.4
69.03345	1.7
69.25800	1.2
69.48799	9.1
71.01258	7.9
72.99170	1.5
73.02834	1.8
76.87843	1.3
79.01772	1.5
85.02826	2.4
87.00759	1.4
89.02296	1.8
95.01265	4.3
96.95887	2.6
97.02802	1.4
101.02277	2.9
107.01261	13.9
111.00748	3.4
113.02345	2.3
122.03596	1.7
123.00772	19.8
123.04375	1.5
124.01601	1.8
125.02341	67.7
126.02661	2.4
127.00240	1.7
136.98700	2.3
137.02258	2.4
139.00262	5.4
139.03896	2.1
140.01031	4.2
141.01820	2.5
145.02956	1.4
146.03592	1.7
149.02306	4.6
149.52336	1.3
150.03125	16.2
151.00305	10.2
151.03879	3.6
161.06070	1.8
162.03127	1.8
163.03952	2.4
164.04695	1.9
165.01811	2.5
165.05481	10.6
166.99788	2.7
168.00566	5.9
169.01346	81.3
170.01675	3.6
175.02382	1.5
177.01826	1.4
179.07060	2.8
181.04927	8.3
182.05757	3.5
183.02925	8.6
189.01874	2.3
193.01370	1.6
195.06575	4.5
196.07336	3.3
197.08031	1.8
201.81337	1.3
211.02353	3.3
217.01442	1.6
245.00801	2.8
247.02403	2.4
273.00330	7.3
275.01944	1.6
299.99084	1.4
300.02875	1.6
301.00021	10.9
302.00272	2.3
313.05652	26.0
314.06024	1.5
327.07266	8.3
475.94073	1.4
490.75006	1.4
491.12057	7.4
493.13391	3.6
509.13034	12.4
510.13840	2.9
523.14404	1.9
569.14960	1.8
573.98669	1.6
626.11157	1.4
721.23566	100.0
722.23785	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	721.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88608	1.3
59.01255	6.7
65.00206	1.9
67.01752	5.0
68.99693	3.0
69.03313	2.0
71.01264	6.7
71.58189	2.8
72.99168	2.7
73.02808	1.7
75.00727	2.2
79.01773	4.1
83.01279	2.3
85.02811	2.4
87.00732	2.7
89.02311	2.6
95.01266	7.8
96.95891	3.5
97.02810	1.8
101.02325	3.7
107.01246	8.8
108.02113	1.8
111.00764	11.6
113.02364	1.6
122.03616	2.9
123.00779	51.6
123.01674	2.9
124.01536	4.9
125.02353	33.6
127.00267	3.7
136.98700	7.5
137.02364	2.1
139.00262	16.7
139.03905	2.7
140.01074	14.1
141.01830	6.2
147.04443	1.4
149.02335	7.8
150.03145	25.9
151.00296	14.1
151.03876	3.2
163.04080	1.7
164.04590	2.2
165.05492	18.8
166.99792	12.4
168.00575	33.0
169.01343	53.3
170.01678	2.0
177.03990	6.3
178.24423	1.5
178.99791	1.6
179.03273	1.6
179.06952	1.5
180.04286	1.6
181.01367	2.2
182.02092	3.2
183.02911	6.4
195.02937	1.5
195.06523	5.0
210.01636	1.9
211.02426	19.7
211.09604	2.2
225.03995	9.5
229.07919	1.9
241.03430	2.4
271.04666	13.2
275.01971	1.7
285.06201	8.8
297.06259	3.2
300.02713	3.1
300.99878	7.8
301.03177	2.9
306.55450	1.4
329.05164	4.5
359.14032	3.1
373.14972	3.2
378.99811	1.6
441.31482	1.4
510.13586	1.6
521.20392	5.5
522.20703	2.4
523.14581	3.3
524.07361	2.6
524.15363	55.8
525.15869	15.2
526.16321	2.1
569.22833	2.1
579.17334	4.1
677.49579	4.5
703.22302	3.7
721.23596	100.0
722.24078	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	721.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	3.5
65.00204	1.3
67.01760	2.0
68.99700	1.2
69.03319	1.7
70.91066	2.0
71.01264	6.1
72.99164	2.2
76.44940	1.0
79.01758	2.3
85.02827	2.4
87.00736	1.5
89.02309	1.6
93.03326	1.6
95.01266	5.6
96.95892	1.9
97.02824	2.4
101.02316	2.6
103.10145	1.1
107.01276	15.5
109.02855	1.6
111.00797	6.0
112.65555	1.0
112.70557	1.0
113.02342	1.9
121.02803	2.0
122.03677	1.4
122.99896	2.1
123.00777	25.3
123.04411	2.1
124.01551	4.5
125.02341	82.0
126.02695	2.2
126.23015	1.2
127.00256	3.3
136.01591	1.6
136.98677	2.8
137.02339	3.9
139.00287	8.2
139.03888	3.8
140.01042	9.0
141.01797	3.6
146.03691	1.7
149.02339	6.3
150.03094	12.2
151.00276	10.9
151.03976	5.1
153.01826	2.1
153.05524	1.4
154.99788	1.2
161.06062	1.4
162.03154	1.2
164.04669	2.7
164.32878	0.9
165.01834	3.5
165.05489	8.4
166.02585	1.1
166.06152	1.2
166.99731	4.6
167.14273	1.0
168.00568	12.5
169.01347	94.5
170.01688	3.3
177.04039	1.1
179.03403	1.6
179.07100	2.2
180.04233	1.5
181.01443	1.4
181.04987	10.3
182.05792	4.1
183.02910	11.0
183.10205	2.0
186.54802	1.1
195.06549	1.7
196.07358	6.8
197.07959	1.6
201.11293	3.3
211.02454	3.6
211.09744	2.8
241.03523	1.4
243.12384	3.2
271.04849	1.6
271.93002	1.0
273.00089	1.6
297.06207	1.9
300.02844	2.9
301.00006	5.6
301.03268	1.5
313.05679	23.3
314.06049	2.3
327.07181	8.1
433.07614	2.7
493.13538	2.9
494.14093	7.4
495.15167	1.4
509.12961	21.3
510.13022	1.9
523.14691	3.2
551.14258	1.2
559.18329	1.7
569.14856	2.0
634.32129	1.2
703.23090	1.3
721.23572	100.0
722.24042	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	721.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10736	0.9
55.97841	0.9
56.52603	1.1
57.03327	1.0
59.01250	3.9
62.79256	0.8
63.52786	0.9
67.01763	2.7
68.99680	0.9
69.03327	1.0
70.39730	3.6
71.01254	6.0
72.99158	2.0
75.00746	1.2
79.01773	2.2
83.01269	2.3
85.02820	2.0
86.20976	1.0
87.00772	1.2
88.31432	1.0
95.01263	4.2
96.95875	1.3
97.02811	1.9
101.02326	3.1
101.99837	1.1
103.83977	0.9
107.01279	6.9
108.02047	1.5
109.02873	1.8
111.00771	8.2
113.02322	1.8
122.03576	1.5
122.99908	2.0
123.00772	32.4
123.04421	1.5
124.01595	4.8
125.02344	29.9
126.02647	1.3
127.00282	3.5
135.04520	1.3
136.98712	5.7
137.02336	3.1
139.00285	11.8
139.03886	2.3
140.01076	12.9
141.01837	4.2
146.03651	1.1
149.02380	2.4
150.03140	9.6
151.00291	5.2
151.03896	2.3
154.99776	1.6
161.02420	1.2
165.01834	1.3
165.05453	6.4
166.99792	8.6
168.00571	23.6
169.01347	46.8
170.01688	1.8
172.54582	1.0
177.03967	3.4
177.05403	1.3
179.07112	1.3
181.01357	1.2
181.04939	1.1
182.02103	1.1
183.02901	6.6
187.76132	1.1
210.01653	2.8
211.02429	18.6
217.01222	1.1
225.03937	6.4
239.05711	1.2
241.03514	1.4
242.98972	1.0
271.04559	10.5
277.03500	1.3
285.06137	8.9
297.06119	1.8
300.99893	5.1
301.03183	1.2
329.05228	3.0
347.00348	2.4
357.11694	1.3
359.13745	1.3
378.02597	1.0
508.96564	1.1
523.14557	2.2
524.15338	44.4
525.15930	10.7
537.17047	1.2
539.17896	3.0
569.15619	1.4
579.17053	3.2
597.18512	3.8
689.10309	1.6
703.21936	2.1
721.23566	100.0
722.24084	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	721.105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	3.8
59.94098	0.7
61.98699	0.8
64.79647	0.7
65.00177	0.9
67.01768	1.1
68.99671	0.8
69.03327	1.5
71.01250	6.7
71.56873	0.6
72.99171	1.1
77.83852	0.6
79.18897	0.6
79.95625	1.0
83.01264	1.1
85.02821	5.6
87.00759	0.8
93.03330	1.0
95.01281	3.6
95.01817	0.8
96.95892	30.5
97.02827	2.1
99.00739	1.0
105.03327	1.0
107.01287	7.1
107.04861	0.8
109.02834	1.0
111.00760	2.7
113.02331	7.8
115.00282	1.0
119.04944	0.8
121.02834	1.8
123.00777	15.7
123.04416	0.9
124.01554	2.2
125.02341	50.6
126.02676	0.8
127.00262	0.9
135.04491	1.1
136.98705	1.1
137.02319	2.2
139.00282	4.1
139.03912	0.8
140.01025	3.4
141.01805	2.2
145.02783	0.7
149.02342	2.7
151.00255	11.7
151.03922	0.8
155.07025	0.9
161.02362	1.2
163.00226	0.7
165.01859	2.2
166.02560	0.8
166.06250	1.7
166.99792	3.6
167.03391	2.8
168.00569	5.2
169.01338	61.0
170.01700	2.4
175.00313	1.2
175.03891	1.0
177.01831	1.0
178.99794	1.1
179.03394	2.3
180.38817	0.7
181.08640	1.4
188.33632	0.7
191.03455	1.6
193.01346	20.7
193.04993	1.2
203.03397	1.9
206.02156	1.0
207.02937	1.0
211.02423	5.5
221.04495	1.3
223.02397	7.3
227.03384	1.4
235.02464	1.4
241.03566	1.6
247.02457	1.6
255.02931	1.4
255.23366	0.8
257.04800	0.8
265.03564	5.0
267.05124	1.1
271.02335	1.3
283.04578	23.1
284.05026	0.8
285.03931	3.4
300.02615	1.6
300.99966	1.9
301.03387	1.2
375.27383	1.3
435.05667	100.0
436.06027	8.8
569.09283	3.0
617.63312	0.9
623.13629	1.1
721.10022	8.8
722.10510	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.345
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.98446	0.1
66.87473	0.1
71.01299	0.2
71.05771	0.3
71.06117	0.1
75.74170	0.1
80.96391	0.4
87.36398	0.1
97.00922	0.1
98.82924	0.1
145.33080	0.1
169.47516	0.1
202.75211	0.1
209.11798	0.4
211.13396	0.3
212.13841	0.1
226.32964	0.1
339.19528	0.2
400.29874	0.1
720.30585	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.3
57.03317	0.2
57.81933	0.2
59.01251	3.1
61.98697	2.1
71.01249	2.4
73.02812	0.5
80.02574	1.1
81.03319	1.3
83.01269	2.4
83.04897	4.2
84.02041	1.6
85.02832	0.8
87.00763	0.6
89.02317	2.1
95.04919	0.5
97.02825	0.4
97.06435	0.3
97.95237	0.2
101.02332	2.5
101.02950	0.4
107.01233	0.3
113.02341	1.7
119.03406	0.6
125.02387	0.3
125.05962	0.5
125.09608	2.1
127.11177	0.9
135.08063	0.6
147.11588	0.5
159.65486	0.2
161.04465	1.0
163.11209	4.3
165.12747	2.6
169.01357	0.2
171.10155	1.8
173.09717	0.2
179.05551	0.3
181.12241	0.6
182.12958	0.4
188.27792	0.2
191.10730	2.4
192.11304	0.2
197.11694	0.2
198.96692	0.2
207.10164	0.6
209.11769	100.0
210.12126	4.6
211.13245	0.3
223.13266	0.6
226.12054	0.5
227.12825	10.1
228.13159	0.4
235.08197	2.6
241.14420	1.0
243.16008	0.7
253.09264	11.9
254.09538	0.5
273.17065	77.3
274.17422	4.7
294.78479	0.2
445.21036	1.1
465.28564	2.1
466.28867	0.4
483.29095	0.3
509.26245	0.6
527.55780	0.2
679.46613	0.3
719.36658	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50436	5.6
61.40427	5.4
63.33522	6.1
78.95784	26.6
95.33548	6.8
98.20559	14.9
107.09351	6.2
152.99504	41.0
227.03291	6.5
253.21693	25.8
254.22281	7.5
255.23262	99.3
256.23819	7.7
259.56717	6.9
364.35519	7.0
462.33438	7.6
483.27313	100.0
577.26056	8.3
719.48230	13.1
747.49432	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	719.386
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00478	1.8
59.01252	8.3
60.39370	1.3
61.98705	100.0
63.91818	1.6
71.01261	6.8
71.56965	1.5
73.02822	2.1
75.00749	1.6
76.48262	1.5
78.95777	3.2
87.00738	1.6
89.02295	3.6
97.02824	2.5
101.02328	4.7
113.02336	2.2
125.02390	1.8
125.09618	3.1
134.98598	1.5
161.04564	1.6
165.12740	1.5
169.12273	3.7
171.10257	1.8
179.10826	1.5
183.04106	1.5
183.13800	5.4
185.11783	5.8
191.10667	1.8
195.13766	1.6
197.11806	12.3
199.11679	2.3
199.13347	22.9
207.10197	10.9
209.11819	10.3
211.13336	49.6
212.13686	3.2
227.12854	35.9
235.08202	3.1
239.12843	14.7
253.09285	12.5
271.15466	2.6
273.17078	55.7
274.17422	3.2
356.05408	1.6
431.14673	1.5
433.20435	1.9
447.22375	1.9
449.31525	1.8
463.21762	4.1
465.28201	2.0
483.28717	2.0
491.58563	1.8
719.39673	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	719.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	1.2
59.01253	15.9
60.30270	1.1
61.98705	74.1
65.48808	1.1
69.03298	1.7
71.01260	5.8
71.56836	1.9
73.85696	1.1
78.95765	1.6
85.02826	2.2
87.00754	1.2
89.02303	3.6
96.18051	1.1
101.02346	5.4
113.02329	3.1
125.09607	1.8
130.05923	1.4
143.81972	1.0
149.01399	1.1
149.69606	1.1
152.99446	2.5
161.04428	1.6
161.91365	1.2
163.11166	1.7
169.12265	7.0
179.10585	1.2
183.13840	5.6
193.12294	1.9
195.13983	1.2
197.11760	92.4
198.12076	3.7
199.13329	8.8
207.10162	6.5
209.11729	11.9
211.13341	100.0
212.13637	4.4
227.12866	15.2
235.08195	4.7
239.12868	9.6
253.09219	12.2
255.23232	4.3
267.82617	1.1
273.17068	25.0
274.17429	1.8
275.37408	1.3
300.99942	1.5
311.38724	1.3
433.20874	8.8
434.21405	1.5
447.22556	5.6
483.27615	2.6
543.51318	1.2
579.15387	1.4
609.33099	1.3
719.37555	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	719.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03348	1.6
59.01255	12.7
60.99167	1.3
61.98705	6.6
63.09001	0.9
69.03335	1.7
70.07619	1.0
71.01250	11.4
71.06220	1.2
71.06574	2.2
72.99191	1.2
73.02838	3.1
75.81458	1.2
78.95782	1.4
79.95621	1.9
80.02565	1.5
80.96393	10.2
81.03332	1.2
83.01264	2.5
83.04900	8.4
84.02049	2.2
85.02843	3.3
87.00751	2.4
88.98703	4.5
89.02329	5.9
90.72424	1.0
94.97945	1.3
95.01295	1.3
95.04891	1.1
96.95907	6.5
97.06488	1.0
99.00778	1.3
99.04398	1.5
101.02336	8.1
103.74644	0.9
107.01300	2.5
109.06593	1.3
113.02364	3.3
119.03402	2.6
121.02868	1.1
123.00789	3.3
125.02343	8.4
135.04364	1.2
135.08087	1.4
139.00272	1.3
145.04979	1.0
148.99136	1.2
150.03214	1.3
151.00270	1.6
151.11194	1.4
161.02357	1.4
161.04562	3.0
163.00308	1.3
163.11208	6.1
165.12794	3.3
169.01363	9.9
169.12257	42.9
170.12654	3.0
171.10240	2.1
179.05698	1.7
181.12375	2.0
191.10780	2.1
197.11769	56.0
198.12105	2.5
209.11777	100.0
210.12062	6.0
213.11388	1.5
225.00764	1.9
227.12845	10.5
235.08218	2.0
247.02574	1.3
253.09251	8.4
255.23357	1.5
273.17102	10.0
275.02087	1.5
276.34958	1.1
285.04315	1.5
295.12643	1.1
299.99292	2.6
300.02750	1.5
300.99969	5.3
307.08221	1.4
469.14636	1.3
687.20251	1.6
687.32306	48.2
688.32513	6.9
719.35492	50.6
720.35931	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	719.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.1
59.01255	11.7
61.98707	2.0
69.03342	1.5
71.01254	11.4
72.99170	1.1
73.02830	3.6
73.66769	0.8
79.12618	0.8
79.95652	1.8
80.02543	1.9
80.96406	6.5
81.03339	3.0
81.28974	1.1
83.01238	1.9
83.04899	11.9
84.02066	2.8
85.02855	2.7
87.00780	2.6
87.24099	0.9
88.98708	2.7
89.01852	1.2
89.02312	6.0
93.03362	1.2
94.97971	1.6
95.01308	2.0
95.04928	2.1
96.95903	3.3
97.02836	1.0
97.06482	2.1
101.02320	10.2
107.01262	2.7
111.00809	1.0
113.02332	5.0
116.92772	2.6
119.03417	2.2
121.02879	1.2
123.00764	1.4
125.01588	0.9
125.02331	5.5
135.08046	1.1
151.00299	2.1
151.11235	2.8
153.09120	1.0
153.12784	2.0
155.07126	1.3
161.04485	2.9
163.11220	6.5
165.12794	2.8
168.00667	1.1
169.01320	7.1
169.12260	49.1
170.12579	2.3
171.10236	1.5
179.05435	1.0
179.10760	1.7
181.12312	2.1
191.10852	1.6
197.11761	91.0
198.12170	3.9
209.11772	100.0
210.12126	5.5
225.00816	3.1
227.12849	9.0
235.08139	1.1
241.10641	1.3
245.00757	1.1
253.09341	7.6
270.98993	1.0
275.02148	0.9
285.04175	1.0
301.00037	4.4
301.03705	4.7
302.04254	1.0
302.59103	1.0
316.86325	1.1
329.06601	1.6
474.01212	1.1
478.20383	1.0
557.25592	1.0
687.32324	95.5
688.32623	13.3
719.35345	60.5
720.35968	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	719.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.8
56.41162	0.7
57.03312	1.0
59.01251	7.5
60.68227	0.6
61.98474	0.5
61.98707	6.3
62.40401	0.6
68.80421	0.6
69.03327	5.4
69.55072	0.6
71.01251	7.2
71.04893	2.0
71.38145	0.6
73.02824	1.3
80.02541	1.6
80.96390	1.0
81.03326	2.3
83.01245	1.3
83.04893	5.4
84.02034	1.9
84.25819	0.6
85.02814	1.8
87.00707	0.9
89.02329	3.5
95.01235	1.0
95.04891	1.3
97.02869	0.6
97.06473	1.0
98.20589	1.2
101.02342	5.1
107.41664	0.6
108.06454	0.6
113.02312	2.4
118.61022	0.6
119.03381	1.1
123.08025	1.5
125.09579	2.4
133.04988	0.7
135.08034	0.9
149.09616	0.9
151.11159	2.8
153.12733	1.6
161.04382	2.2
161.09644	3.5
163.11180	4.2
165.12814	3.5
169.01300	1.4
179.10699	8.0
180.11005	0.9
191.10698	1.0
197.11771	82.5
198.12100	4.8
209.11777	66.9
210.12126	4.3
223.09663	1.4
226.67601	0.7
227.12775	5.3
241.10725	5.4
253.09184	4.2
347.50995	0.8
441.82440	0.7
448.31979	0.7
459.18762	1.4
477.19669	3.0
669.32098	1.0
687.32330	100.0
688.32751	17.2
719.35168	16.7
720.36127	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	719.292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	69.5
59.54573	0.5
60.01578	0.9
64.78415	0.5
65.19910	0.5
66.26518	0.6
69.46329	3.5
70.45734	0.6
71.01247	2.8
75.00742	2.5
89.02299	1.2
93.03329	0.7
96.95871	1.0
98.20614	0.9
101.02312	1.2
107.01287	1.3
111.08021	1.2
113.02341	1.1
116.83006	0.6
121.02847	3.8
123.00776	1.4
125.02363	3.5
135.04402	1.3
137.02332	1.8
137.05983	1.2
143.03424	1.0
143.43596	0.5
145.02835	1.0
147.04416	1.8
155.05844	1.1
155.07050	14.3
159.04401	1.1
161.04453	2.1
162.85315	0.5
169.01332	5.1
177.71941	0.6
179.07027	0.6
181.01366	0.9
191.07109	0.6
196.05330	0.7
202.76765	0.6
211.02292	0.7
235.62260	0.6
240.04251	0.9
254.05823	0.6
255.10236	1.6
265.08786	0.6
269.08182	19.2
270.08353	0.7
271.09637	1.4
281.08163	3.3
283.09732	9.1
284.10318	0.6
285.04016	4.6
295.09662	1.2
296.10501	1.1
298.12070	0.8
299.09174	11.2
300.09601	0.6
300.99863	2.1
310.11990	1.1
311.09268	19.5
312.09579	1.7
314.11588	29.3
315.11923	2.8
325.10736	3.4
326.11569	17.4
327.12061	1.6
329.13934	100.0
330.14325	9.7
341.13925	62.0
342.14313	6.4
359.14853	0.8
433.07861	1.9
441.64856	0.7
455.17520	0.7
467.20694	0.8
630.20160	0.8
706.94977	0.6
719.26062	0.7
728.51636	0.6
749.85815	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	3.5
55.33960	3.6
58.00439	6.4
59.01254	36.4
61.98708	13.0
65.00181	3.8
71.01253	33.2
71.58328	5.3
73.02817	9.7
75.00758	4.7
83.01264	5.8
83.04890	8.7
85.02821	12.8
87.00763	8.5
88.98667	6.3
89.02322	15.7
93.03337	5.2
93.06958	4.3
95.01265	9.7
95.04914	4.9
96.95888	14.6
96.96852	4.3
97.06470	3.9
100.94621	4.4
101.02293	20.6
101.69888	3.9
104.75826	3.6
107.01253	7.0
107.04881	4.4
109.02866	5.4
109.06482	6.1
111.08070	4.9
113.02322	17.9
116.92700	4.0
117.03387	5.8
119.03419	7.5
119.04935	5.1
121.06438	5.2
123.00778	14.5
125.02329	37.2
127.40366	3.9
133.02814	5.1
133.06488	6.6
135.04448	4.2
135.08058	5.0
137.02318	6.2
137.05959	4.8
139.00299	6.9
139.03853	6.3
139.07539	13.1
140.00996	6.7
141.01863	4.8
145.02879	7.1
151.00253	6.7
151.03905	5.4
155.07050	100.0
156.07344	4.3
159.04482	4.0
160.01575	9.0
161.02379	8.0
161.04431	10.9
161.05943	9.3
165.01900	4.7
165.05452	6.3
167.77698	4.0
168.00641	5.1
169.01347	40.2
175.03850	5.8
176.00974	5.2
177.01804	3.9
179.05502	4.6
179.07016	6.9
181.05037	5.1
197.08035	9.9
204.00665	5.4
209.11740	7.3
216.00612	27.6
217.01378	9.2
227.09039	4.1
227.12907	6.4
229.01462	4.5
247.02382	10.1
255.02940	4.9
283.06665	4.0
283.09711	18.1
299.99136	8.3
300.02597	4.8
300.99936	29.6
303.01556	27.7
311.09247	29.5
319.00861	5.0
319.86401	4.1
325.10794	5.9
326.11520	23.3
331.06955	5.3
341.13806	20.7
342.14349	4.3
347.00409	95.2
348.00699	8.4
465.06628	5.3
521.31616	4.2
537.06323	4.3
719.22217	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	718.43
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33939	1.0
52.92076	0.9
71.55956	1.6
78.95776	19.6
80.02538	1.7
81.03318	2.3
83.04912	7.1
84.02047	1.8
112.31378	1.0
122.00008	2.4
135.08049	1.7
140.01074	8.7
152.99477	2.4
163.11182	6.1
165.12706	3.3
181.12244	1.2
191.10692	1.7
196.03709	4.0
209.11778	100.0
210.12062	4.1
216.25018	1.0
223.09686	1.1
227.12848	27.0
228.13109	1.8
244.35316	1.0
255.23184	1.8
259.15347	1.4
277.21631	3.5
279.23279	49.4
280.23633	4.3
285.00510	1.0
373.69873	1.0
438.34277	1.1
438.80280	1.2
449.51547	1.0
476.27640	4.3
686.40503	15.2
687.40063	1.6
718.43024	34.0
719.42731	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	718.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48745	0.7
54.01927	0.7
59.01234	1.6
61.98682	1.0
68.56410	0.7
70.06273	2.3
70.06678	1.5
71.01257	1.0
78.95772	13.7
83.04903	2.1
91.02103	0.7
100.51415	0.7
103.67834	0.6
111.04424	0.8
121.99974	1.1
132.33260	0.8
140.01077	6.8
152.99448	1.2
163.11198	1.8
165.12775	1.1
196.03665	1.7
209.11761	26.9
210.12085	1.4
223.09680	1.8
227.12814	5.9
255.23267	1.5
277.21677	2.1
279.23285	100.0
280.23654	8.2
408.51801	0.8
424.17032	1.3
433.07211	0.8
456.19962	3.1
675.55957	0.9
686.40259	10.3
687.40771	2.1
718.42993	21.9
719.43103	5.3
735.90314	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85155	0.2
59.01248	0.4
61.98704	100.0
69.27658	0.2
71.01274	0.2
87.33247	0.2
96.95899	0.2
101.02322	0.2
109.06416	0.2
112.59830	0.2
143.24536	0.2
145.43411	0.2
151.66006	0.2
180.12289	0.2
183.43802	0.2
197.11763	0.4
207.10106	0.3
208.10529	0.3
209.11853	0.5
211.13351	1.3
212.13741	0.5
225.11407	0.2
227.12823	0.4
229.37680	0.2
253.09410	0.3
273.17191	0.3
608.94183	0.2
645.54559	0.2
711.56757	0.2
733.36957	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.4
61.98703	100.0
62.98418	0.2
70.65928	0.3
71.01263	1.3
71.56885	0.2
73.02823	0.5
78.95778	0.5
79.95600	0.4
80.96412	0.4
83.01275	0.4
83.04892	0.4
87.00759	0.4
87.23445	0.3
89.02283	0.5
96.95891	0.6
97.02877	0.3
99.00772	0.3
101.02325	0.8
108.24380	0.2
109.06512	0.4
113.02307	0.4
123.00823	0.4
125.02371	0.8
133.44360	0.3
142.55400	0.2
163.11226	0.5
165.12759	0.3
169.01332	0.9
171.10185	5.2
172.10551	1.2
185.11781	0.3
207.10269	1.2
208.10670	0.3
209.11800	2.9
210.12132	0.6
211.13336	1.4
225.11310	1.1
227.12801	0.6
235.08234	0.5
239.12947	0.4
240.13109	0.3
253.09314	1.3
254.09737	0.3
273.17044	2.2
274.17395	0.5
300.99945	0.5
327.21735	2.1
328.22125	1.1
718.34912	0.4
720.58447	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33265	1.3
52.53404	1.2
59.01250	12.2
61.98376	2.8
61.98700	50.3
66.75401	1.3
70.68969	4.6
71.01247	8.4
72.50046	1.3
72.99177	1.6
73.02792	2.3
75.00742	5.0
81.03329	3.1
83.01261	5.5
83.04894	7.2
84.02052	2.3
84.72881	1.5
85.02818	2.6
87.00736	2.5
89.02319	4.3
95.04880	1.7
96.95885	5.7
97.02831	6.0
99.00761	2.2
101.02341	9.1
107.01224	1.4
109.06466	25.5
113.02336	4.5
123.00820	2.7
125.02316	2.9
125.09585	4.8
135.08055	4.4
136.05226	2.3
155.07028	2.3
161.04469	3.0
163.11186	16.1
169.01280	2.5
171.10229	10.4
181.12245	2.7
182.12883	1.8
183.13789	2.0
191.10699	2.1
207.10199	75.7
208.10558	3.9
209.11768	42.8
210.12036	2.7
211.13310	22.6
212.13684	2.2
225.11281	24.3
226.11884	2.4
227.12953	7.6
235.08202	4.9
239.12733	3.7
241.14336	2.6
253.09268	20.2
253.19241	1.4
273.17075	100.0
274.17462	5.3
301.00058	2.1
327.21783	3.1
443.19257	4.1
461.20273	7.6
681.38501	1.8
717.37091	27.2
718.37561	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	716.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	7.9
61.98693	0.9
78.95775	18.5
83.04902	2.5
96.96865	1.0
98.20669	1.4
108.03892	0.9
109.96655	0.9
122.00014	1.1
135.08012	0.9
140.01080	8.5
163.11198	2.5
165.12851	1.0
196.03732	2.5
209.11790	32.4
210.12209	1.3
227.12814	6.9
277.21719	100.0
278.22162	8.6
333.52267	1.1
406.16403	1.3
424.17047	1.3
456.20047	2.8
599.21283	3.6
657.21887	2.0
684.38715	10.5
716.41376	25.6
717.24158	6.5
717.41156	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	717.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03350	0.9
59.01255	5.7
69.28490	7.0
71.01254	4.6
83.01270	1.3
85.02811	1.9
89.02325	2.0
93.03355	1.3
95.01282	1.8
96.95889	1.4
99.00767	0.7
101.02336	2.9
107.01285	1.1
107.04892	0.7
109.02837	3.1
111.00826	0.8
111.08028	1.7
113.02351	2.7
121.02886	1.2
123.00775	4.1
123.04431	0.9
123.73295	0.6
125.02343	7.5
137.02348	11.0
137.06056	1.2
139.00249	1.6
149.02336	1.7
150.03148	1.0
151.00273	21.2
151.03911	1.9
152.01036	1.4
152.04704	1.5
153.01807	1.1
155.07042	20.9
161.04460	2.6
161.05843	0.7
163.03810	0.7
164.04765	0.9
165.01880	1.7
165.05553	1.1
166.02631	63.3
166.99809	0.8
167.03238	4.7
168.00525	1.3
169.01350	7.5
173.06018	0.8
174.32680	0.7
175.03987	1.1
177.01862	3.2
178.02516	0.7
179.03357	0.8
179.06970	1.2
181.04990	74.6
182.05315	3.2
184.03777	0.9
190.06186	1.0
191.03381	1.4
192.04292	1.0
193.05043	0.9
195.02965	1.2
195.06583	0.9
200.32875	0.8
203.03462	1.1
205.05035	0.9
205.08560	1.8
207.06566	1.0
216.45204	0.7
219.06482	0.8
227.03529	0.9
229.04993	1.3
231.41963	0.7
255.03032	1.1
257.04507	1.0
284.03259	2.0
285.04080	10.3
286.04404	1.6
301.00018	4.3
301.28961	0.8
307.08197	2.5
344.09296	0.9
359.11319	2.0
387.10815	17.6
388.11414	1.3
391.61899	0.8
402.13132	8.5
417.15543	100.0
418.15805	10.3
431.19128	0.9
717.22797	1.0
718.24988	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31273	0.3
55.43623	0.3
57.18747	0.3
59.01252	1.1
61.98704	100.0
69.56618	0.6
69.57024	1.8
71.01270	0.3
78.95801	0.5
83.01269	0.3
89.02348	0.4
91.16339	0.3
101.02338	0.6
125.94871	0.3
139.93198	0.3
169.01273	0.4
209.11827	0.5
209.81833	0.3
255.23338	1.0
256.23666	0.8
293.21616	0.3
351.73300	0.3
397.13269	0.5
398.13885	1.0
399.14114	1.0
400.14496	0.6
417.15161	0.4
454.46225	0.3
716.41290	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.1
59.01254	24.0
61.98715	2.4
62.45122	1.6
64.30323	1.4
69.03332	2.1
70.90437	4.3
71.01275	8.3
81.03296	2.4
83.04887	4.2
85.02820	1.7
87.00737	3.0
88.63701	1.4
89.02316	6.1
90.01839	1.8
96.95914	2.6
97.02840	4.5
99.00755	2.8
99.03522	1.5
100.00370	1.5
101.02324	6.1
107.04885	1.7
109.06493	26.4
113.02314	2.2
121.06453	1.7
125.09613	2.9
135.08096	4.6
136.05223	2.9
151.45261	1.6
161.04541	2.3
163.11200	14.3
179.10687	2.8
181.12250	3.9
183.13843	10.1
185.11755	1.7
193.12361	3.2
207.10220	66.7
208.10542	4.7
209.11765	2.7
211.13356	100.0
212.13692	5.2
225.11270	30.1
235.08144	5.4
253.09189	9.4
301.22995	2.0
358.38211	1.7
373.23828	2.6
383.22296	4.8
391.24777	3.4
401.23422	15.9
419.24380	3.4
443.19330	3.3
447.22342	3.0
461.20508	9.8
600.48102	1.8
609.32684	4.1
637.32263	29.5
638.32214	5.4
655.33350	31.0
656.33765	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	715.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88182	1.2
59.01241	9.3
59.01488	1.1
62.97071	1.2
71.01254	2.2
71.57157	1.6
78.95767	1.7
81.61840	1.3
82.39928	1.3
84.82225	1.5
87.04844	1.2
101.02320	2.9
113.02309	1.9
113.09573	7.5
120.73972	1.3
132.09346	1.2
159.10184	100.0
160.10509	4.3
171.10243	2.0
209.11955	2.2
218.43719	1.3
219.58372	1.5
235.08263	3.1
253.09245	13.0
253.21758	5.7
277.21725	56.7
278.22092	5.7
395.19247	1.7
411.44681	1.3
419.31668	8.0
420.32211	2.2
539.96490	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.6
60.26539	0.4
60.40941	0.5
71.01259	0.5
83.04888	0.7
88.91790	0.4
89.24933	0.4
93.52793	0.4
95.31483	0.4
96.95895	1.2
113.10935	0.4
123.00739	0.7
125.02332	1.9
139.00288	0.5
155.14650	0.5
165.13544	0.4
169.01320	2.9
185.80788	0.5
230.20000	0.8
255.02882	0.6
283.22720	0.5
285.04086	3.9
298.29440	0.5
300.99887	1.3
374.68103	0.4
384.54233	0.5
465.06763	1.2
468.46130	0.5
634.09125	0.5
677.49811	4.3
678.49542	0.6
713.47363	100.0
714.47620	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50853	0.5
55.09148	0.6
59.00951	1.2
59.01251	25.6
60.52199	0.6
63.61153	0.6
65.00187	0.8
69.25459	7.4
72.99187	2.7
79.03028	0.6
84.82741	0.5
89.02366	0.6
90.82771	0.6
98.20583	1.0
98.95444	0.7
106.39974	0.7
107.01262	1.7
109.02921	0.7
119.04945	3.9
125.02353	1.5
147.04424	68.9
148.04724	3.0
148.22618	0.7
151.00262	5.5
163.00281	1.4
165.05489	58.5
166.05829	1.8
166.99872	0.8
169.01338	0.9
178.99736	3.2
207.06569	41.0
208.06857	1.8
217.76848	0.6
226.02603	0.7
227.03377	1.5
243.02899	6.4
254.02298	0.7
255.02968	13.8
256.03299	1.0
271.02469	27.9
272.02893	2.4
283.02420	0.9
300.02744	64.2
301.03455	27.8
302.03799	1.2
463.08832	100.0
464.09149	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	713.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33298	0.7
57.03321	1.2
59.01251	17.2
59.01889	0.7
59.47164	0.7
62.09521	0.8
69.03325	2.4
71.01246	3.0
71.04901	1.0
71.05257	1.7
79.26663	0.8
81.43721	0.8
89.02309	3.1
101.02330	3.4
113.02313	2.1
125.02277	0.9
125.09612	1.8
137.20563	0.7
145.73232	0.7
156.07967	0.7
161.04483	1.8
167.10696	3.1
177.05475	0.8
179.10641	1.3
179.14343	3.0
183.13864	6.6
185.11722	1.2
193.12309	1.7
195.13878	5.7
205.12328	6.9
209.11954	0.8
211.13350	100.0
212.13728	7.2
223.13358	68.3
224.13635	5.1
235.08182	3.2
246.69853	0.8
253.09183	6.3
277.21704	2.4
283.90677	0.8
293.21289	0.9
397.13583	2.2
415.14664	0.8
441.21255	1.7
447.22412	6.9
448.22421	1.0
459.22394	9.2
460.22849	1.1
635.34424	1.8
653.35327	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24404	0.1
59.01247	0.3
63.02260	0.2
65.00196	0.5
69.33740	1.5
71.01244	0.4
79.95612	3.1
83.01241	0.4
89.02335	0.3
96.95891	100.0
97.95840	0.3
107.01289	0.9
109.02831	0.2
121.02858	0.8
125.02349	0.6
127.52311	0.2
138.68912	0.2
142.91605	0.2
151.00278	3.0
152.61711	0.2
163.00319	0.3
169.01326	0.8
178.99802	1.6
179.03320	0.2
231.02985	0.2
237.15233	0.2
271.02509	0.2
274.38934	0.2
299.99283	0.2
300.99951	0.6
301.03500	11.2
302.00439	0.2
302.03836	0.5
463.08536	0.2
467.53366	0.2
615.09796	2.8
616.10046	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76368	0.4
59.01248	3.7
61.98689	0.8
62.81083	0.5
65.00214	0.6
71.01262	1.9
71.57999	0.7
85.02859	1.2
87.00745	0.5
89.02319	1.0
93.03333	0.5
95.01247	1.1
96.95885	2.2
97.02809	0.6
101.02322	0.7
107.01289	1.1
111.00797	0.5
113.02318	1.2
116.92779	0.6
121.02821	0.7
123.00784	2.7
125.02349	3.8
135.04388	0.5
138.01872	1.5
139.00255	0.7
140.01024	0.6
145.02884	1.1
149.02332	0.7
150.03130	1.1
151.00278	2.0
160.01587	0.9
161.02258	0.8
161.04539	0.6
163.03911	0.5
164.04680	0.6
165.05440	1.4
168.00597	1.0
169.01346	5.0
172.01596	1.8
173.02385	0.7
177.48689	0.5
180.06734	0.5
185.02388	1.3
188.01042	0.5
191.05569	1.1
193.04933	0.6
200.01100	1.7
201.01765	0.8
211.02423	0.6
216.00615	2.3
220.48149	0.5
221.08147	0.5
226.99855	0.8
228.00639	1.1
229.01407	2.8
242.99263	0.7
244.00063	2.6
255.02982	1.6
257.00952	1.6
270.98825	1.0
271.99506	1.5
273.00357	0.6
282.98938	1.0
283.02454	1.6
283.99619	1.8
284.02765	0.6
285.04034	3.0
298.98337	1.6
299.01639	0.6
299.99103	57.7
300.99881	100.0
302.00262	7.7
302.03546	0.4
330.50040	0.5
359.14813	0.9
407.16898	0.5
445.04303	0.6
463.05145	5.0
464.05814	0.6
584.37213	0.6
598.09283	1.0
713.17316	41.0
713.30017	4.8
714.17596	6.9
724.11902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.3
69.29813	0.4
69.30221	2.0
71.01248	0.4
79.95610	3.2
90.34196	0.2
96.95892	100.0
98.20704	0.4
99.03417	0.2
111.41860	0.2
114.30769	0.2
115.70640	0.2
119.29086	0.2
125.02348	0.8
151.00294	0.7
169.01288	1.1
178.99858	0.4
233.60477	0.2
243.02957	0.3
255.02965	0.8
257.97287	0.2
271.02429	1.0
300.02777	4.6
301.00043	0.5
301.03482	1.6
357.06158	0.2
437.95944	0.2
463.08841	1.4
505.11072	0.3
615.09930	7.4
616.10400	1.1
687.18347	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00952	5.5
59.01252	100.0
61.98702	20.2
63.78718	3.4
66.50190	3.4
71.00963	3.1
71.01269	31.8
71.20947	10.1
73.02808	7.9
75.00770	4.0
77.63432	3.4
78.84672	3.3
85.02820	10.0
89.02305	38.2
96.95850	4.5
101.02338	23.0
107.01293	4.0
113.02328	14.9
119.03376	17.8
125.02347	9.2
137.13869	3.2
143.03400	4.9
149.86908	3.8
161.04469	12.3
169.01302	8.3
176.12122	3.4
179.05479	16.9
197.11734	46.8
198.12094	3.4
202.93593	3.7
207.10216	5.3
209.11784	87.7
209.13768	6.2
210.12082	7.5
211.13303	34.3
226.98169	4.1
227.12885	23.5
235.07999	3.8
253.09142	6.4
300.99811	7.3
301.03500	4.2
331.46048	3.7
433.20877	4.7
445.20657	4.2
489.35599	14.3
606.50195	3.8
640.31757	4.6
651.41339	21.8
689.43793	4.1
711.33588	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	709.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96161	0.3
54.13334	0.3
58.00486	0.3
59.01253	100.0
59.09470	0.3
60.01571	0.7
71.01257	1.4
71.56415	0.6
71.56797	0.4
73.02814	0.5
78.95784	7.5
83.01278	0.3
83.04899	1.5
85.02834	0.3
96.96853	0.5
101.02331	0.8
113.02322	0.5
125.09621	0.5
127.11189	0.6
152.99489	11.0
163.11185	1.2
165.12779	0.8
169.12051	0.3
171.00589	0.9
171.10194	0.6
179.60283	0.3
185.11755	2.0
195.10201	1.7
199.09723	0.5
201.11259	11.2
202.11536	0.5
207.10249	0.4
209.11780	23.8
210.12129	1.4
213.11259	1.1
227.03195	0.7
227.12877	2.5
235.08145	1.1
253.09238	1.6
253.21758	2.6
263.20160	16.2
264.20471	1.4
277.21725	16.3
278.22058	1.5
279.23071	0.5
315.52725	0.4
341.58328	0.4
363.11887	0.5
381.13138	0.9
455.16757	3.0
473.17953	10.5
474.17609	0.6
474.85236	0.4
665.36060	0.5
691.38019	1.6
692.38257	0.4
709.39728	15.0
710.40155	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	709.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55096	0.3
59.01248	3.5
61.98695	0.6
68.17278	0.3
69.31461	3.3
71.01254	3.1
73.02799	0.4
78.95759	0.6
80.02544	1.0
81.03329	1.4
83.01247	0.5
83.04896	5.1
84.02020	0.8
85.02833	0.7
89.02325	1.9
95.04907	0.7
101.02330	2.1
101.82758	0.3
106.57687	0.3
109.06412	0.4
113.02334	1.6
119.03366	0.6
125.05991	0.6
127.11314	0.3
135.08038	0.5
152.99510	0.4
155.92963	0.4
161.04475	1.0
163.11192	3.5
165.12772	2.1
167.10667	0.3
171.10167	1.0
179.92683	0.3
181.12268	0.7
185.11752	1.1
191.10698	0.7
197.11710	0.3
209.11766	100.0
210.12125	5.9
213.11285	1.0
227.12837	8.2
228.13181	0.5
235.08197	1.2
253.09251	7.4
263.20148	46.3
264.20538	3.7
277.21710	3.6
278.21970	0.4
279.23206	0.6
643.81818	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30078	0.4
55.12980	0.3
57.03314	0.4
58.00483	0.4
59.01251	5.8
60.99200	0.4
65.85357	0.4
71.01247	3.3
71.57139	0.4
72.99171	0.6
73.02822	1.3
78.95781	1.0
80.02544	0.9
81.03331	1.0
83.04906	3.4
84.02029	0.8
85.02844	0.9
87.00742	0.8
88.98685	0.8
89.02328	1.9
95.04873	0.5
101.02321	3.4
113.02314	1.5
119.03362	0.8
133.01215	0.4
135.08055	0.6
145.04941	1.0
152.99475	1.1
161.04507	1.8
163.11240	2.8
165.12778	1.4
167.10666	0.8
171.10223	0.6
185.11743	0.4
191.10736	0.6
195.10165	0.6
201.11223	0.5
209.11778	74.0
210.12115	4.0
211.13310	0.6
212.13710	0.5
213.11288	0.8
219.21031	0.4
227.12849	9.0
235.08203	5.7
241.03876	2.4
245.19141	0.6
253.04016	2.0
253.09268	9.3
261.18530	0.5
263.20160	100.0
264.20468	6.8
277.21729	2.2
349.09714	1.2
361.13687	0.5
372.05304	0.4
375.89441	0.4
473.17984	1.0
495.19702	0.4
709.31604	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	709.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25122	0.3
54.34754	0.2
55.85306	0.3
56.34349	0.3
57.03318	0.3
59.01249	4.6
61.98700	0.5
62.08147	0.3
69.03325	0.6
70.37929	0.7
70.38322	0.6
71.01256	3.1
73.02820	0.6
78.95764	0.3
83.04900	0.6
85.02822	0.8
87.00744	0.4
89.02312	2.2
99.07610	0.3
101.02313	3.1
113.02335	1.3
119.03400	0.5
141.09099	0.4
145.04932	0.3
151.11238	0.3
152.99463	0.4
153.09119	0.5
153.12749	1.1
161.04492	1.4
167.10748	0.4
169.12259	5.1
170.12541	0.4
171.10172	0.4
179.05563	0.4
179.10670	0.9
179.14340	0.7
192.87846	0.3
195.13831	5.1
197.11763	100.0
198.12111	4.9
199.13219	0.3
205.12189	0.4
209.11714	3.3
211.13292	0.8
223.13338	3.4
227.12856	0.8
228.13609	0.5
230.16290	0.3
235.08218	2.7
244.29895	0.3
253.09254	12.8
253.11903	0.7
254.09673	0.5
256.13181	0.7
263.20087	2.7
264.20331	0.6
272.82953	0.3
275.20129	4.0
277.21591	0.4
279.23337	0.3
293.21225	58.2
294.21548	5.2
433.20810	3.4
434.21097	0.3
492.22025	0.3
499.92154	0.3
529.30280	0.4
652.11798	0.4
709.41052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.5
57.03323	1.5
59.01252	7.1
60.06396	0.4
69.03297	0.5
71.01255	6.2
72.99171	0.5
73.02828	1.5
78.95773	0.9
81.03313	0.7
83.01241	1.1
83.04896	0.8
85.02821	2.0
87.00755	0.4
89.02312	4.6
90.07062	0.3
95.01283	0.5
95.04931	0.7
97.06452	3.1
101.02324	3.7
113.02345	2.1
119.03394	1.1
123.64149	0.4
125.02344	0.5
133.10127	0.4
136.42857	0.4
136.55521	0.4
143.03358	0.5
151.11189	14.2
152.11526	0.6
152.99525	1.0
161.04453	1.6
169.12254	100.0
170.12598	4.5
179.05557	0.8
195.10127	2.4
213.11269	14.0
214.11569	0.5
229.73300	0.4
233.34654	0.4
235.08128	2.4
253.09230	3.3
255.23280	1.2
277.21719	27.0
278.21985	1.9
279.23264	0.6
396.67792	0.4
405.21411	0.5
416.39789	0.4
431.19183	3.8
449.20251	11.0
450.20639	0.8
493.48563	0.4
513.66113	0.4
547.36279	0.5
632.03656	0.4
691.38910	0.6
709.41644	79.2
710.41913	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	709.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12516	1.0
53.99380	1.2
57.03320	3.3
59.01248	8.8
59.26131	1.1
69.92323	4.8
69.92725	2.3
71.01245	4.9
73.02825	1.4
85.02818	2.1
87.00721	1.5
89.02301	2.9
95.04906	1.6
97.06454	6.3
101.02337	4.6
113.02288	2.8
151.11208	21.6
152.99434	1.3
161.04549	1.5
169.12254	65.0
170.12590	2.8
195.10199	5.3
213.11299	11.1
235.08287	1.7
253.09270	4.2
272.70987	1.2
273.26553	1.2
277.21716	72.1
278.22064	6.9
431.19128	5.2
436.83722	1.2
449.20224	5.1
488.06943	1.2
537.55280	1.4
709.41681	100.0
710.41943	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	709.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94553	1.1
59.01240	4.9
69.61901	8.3
71.01256	2.5
72.99164	1.2
78.95776	59.6
80.02528	1.5
83.04879	4.3
84.02025	1.4
95.36999	1.2
96.96822	3.5
98.20470	2.2
125.09582	4.5
127.11165	6.4
147.57173	1.2
151.11157	2.1
152.99490	76.6
155.10695	2.5
156.48149	1.1
163.11176	4.5
165.09157	1.9
165.12753	3.6
169.12248	18.3
171.00583	8.2
171.10127	4.1
181.12111	1.2
183.13766	2.5
191.10704	1.4
199.09685	2.2
201.11256	72.5
202.11617	3.1
209.11769	85.6
210.12082	5.0
211.13353	27.3
212.13684	14.6
213.11296	2.8
213.13792	4.4
227.03212	5.2
227.12813	9.1
245.04260	2.3
245.13770	1.6
253.09190	3.3
253.21672	16.6
254.22052	2.2
255.23288	1.2
277.21750	19.5
278.22064	13.2
279.22549	3.9
281.24457	1.3
337.10538	1.5
350.05817	1.3
363.12173	4.2
381.13016	4.2
411.14227	1.6
429.15378	2.8
437.15973	3.6
449.20346	1.9
455.16846	19.7
456.17786	1.3
472.16016	1.3
473.17920	71.1
474.18176	5.4
521.99268	1.5
594.24310	1.6
691.38165	12.4
709.39429	100.0
710.40033	13.9
726.52264	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12910	2.8
58.88811	3.1
59.01254	16.1
64.58386	3.0
65.58156	2.7
71.01270	6.4
73.02822	3.2
89.02307	3.0
91.59767	2.5
98.19837	6.4
101.02324	4.9
105.20263	2.7
109.06535	4.2
117.79047	2.8
132.00151	2.9
137.30899	2.7
139.27132	2.8
163.34079	2.8
171.10143	5.0
181.08667	4.4
183.13812	10.8
199.09695	29.4
207.10245	8.2
209.11684	5.2
211.13339	100.0
212.13676	5.1
225.11235	6.7
235.08223	5.9
253.09225	7.1
447.22369	4.3
530.85266	3.2
593.29700	3.8
611.30884	6.5
629.31708	6.0
655.32703	4.3
709.35773	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	709.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.1
59.01254	11.8
60.99165	1.7
61.98701	4.6
67.25639	1.6
71.01266	6.1
72.99180	2.7
73.02847	1.9
83.04906	3.7
86.02929	1.7
88.98683	3.3
89.02338	2.5
93.19015	1.6
96.95909	2.3
101.02316	3.5
101.98211	1.9
118.34739	1.8
119.03441	2.2
123.00745	2.8
125.02337	16.5
129.40228	1.7
151.00291	1.7
160.43620	1.6
161.04498	2.6
162.75078	1.6
165.12833	2.5
169.01357	13.5
169.16043	1.8
171.10197	3.8
199.13309	3.5
207.10127	3.8
209.11772	100.0
210.12103	6.6
211.13344	4.5
225.11232	2.1
227.12869	30.4
235.08240	2.2
243.39230	1.7
253.09285	9.4
300.99930	3.5
405.21341	2.1
445.20673	5.8
557.22748	2.5
637.32269	5.8
655.33447	2.4
709.22522	8.8
709.33801	16.7
710.22839	2.6
710.33600	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	709.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79980	1.3
59.01252	23.7
61.98704	2.0
65.43599	1.2
69.03339	1.4
71.01254	15.7
73.89474	1.2
75.00731	1.5
81.03371	1.2
82.20482	1.1
83.04893	3.3
85.02843	1.6
85.06477	3.0
87.00781	1.7
88.98629	1.6
89.02343	6.2
95.01250	1.5
95.97720	1.4
97.02836	3.2
98.20646	2.2
99.00766	2.5
101.02330	8.2
109.06462	19.4
113.02336	4.0
119.03377	1.7
125.09642	1.6
145.05013	2.0
156.46486	1.2
161.04469	3.3
163.11217	8.1
169.01353	1.6
171.10153	1.9
176.08282	1.4
181.12271	3.6
183.13811	5.9
185.11719	3.1
193.12271	1.6
197.25945	1.4
199.09671	2.2
207.10207	54.7
208.10577	3.1
209.11745	6.6
211.13336	100.0
212.13704	6.9
225.11287	32.5
227.12735	2.3
235.08182	4.2
243.12245	1.3
253.09276	14.3
320.64133	1.3
357.24167	1.3
373.23813	2.1
383.21945	1.8
391.24792	2.1
401.23163	5.9
419.24615	1.8
443.19217	2.3
447.22226	1.8
461.20224	13.3
469.33191	3.6
487.34555	13.5
581.01245	1.4
609.32007	1.7
637.32434	6.8
638.32196	1.6
649.39868	3.6
655.33270	10.1
656.34033	5.1
709.35699	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.321
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05242	0.9
59.01249	14.7
61.98671	1.4
69.03341	1.8
70.90442	2.3
71.01256	15.7
73.02810	2.2
78.95769	1.5
81.03340	2.0
83.01260	1.8
83.04910	2.5
85.02834	3.0
87.00745	2.1
89.02309	6.8
89.75049	1.0
95.01246	1.6
95.04944	1.5
96.95885	1.2
97.02833	3.8
99.00774	2.0
100.07968	1.0
101.02339	7.6
109.06488	16.8
113.02341	3.0
119.03429	1.7
119.95198	1.0
135.08078	2.9
145.04970	1.4
161.04471	3.3
161.09622	1.6
163.11203	10.0
165.12828	1.6
171.10153	1.5
181.12328	1.7
183.13849	19.8
185.11714	2.3
189.09090	1.3
193.12297	2.3
205.67419	1.2
207.10228	52.6
208.10452	2.5
209.11786	9.1
211.13344	100.0
212.13641	7.5
225.11285	26.7
226.11644	2.3
227.12788	3.5
235.08199	4.4
253.09250	11.2
311.63223	1.2
329.24600	1.5
357.24673	1.9
373.24051	3.7
391.24802	3.4
401.23441	5.1
419.24203	3.4
443.19156	1.4
447.22348	1.9
461.20145	8.8
462.20816	1.3
542.88892	1.2
609.32776	1.3
637.32159	7.5
638.32257	1.3
655.33386	9.8
656.34070	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	709.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.7
63.05054	1.0
68.22194	1.0
68.84978	0.8
69.46737	10.3
71.01247	2.2
71.67869	1.0
71.75988	1.0
89.02310	1.3
93.03354	1.3
101.02319	1.6
107.01263	4.0
107.04906	2.1
107.58157	1.0
108.02122	1.1
117.03349	2.4
119.04952	2.4
121.02843	2.0
123.00772	2.4
125.02355	8.7
133.02873	2.0
135.04388	4.3
145.02864	5.2
147.04402	3.5
148.01538	1.7
151.00279	9.6
151.03841	1.1
161.02342	6.8
163.00256	2.6
163.03952	3.1
165.05548	1.2
166.99799	1.7
169.01335	11.5
170.01689	1.4
173.02328	6.5
174.02940	1.1
175.03926	2.2
176.01056	3.0
177.01749	2.5
178.99834	5.4
180.00313	1.0
187.03909	1.6
189.01842	9.8
190.02660	14.2
191.03436	30.9
193.01367	3.1
201.01805	2.4
203.03514	1.3
205.01390	1.9
215.03539	1.8
217.01430	5.9
218.02068	2.2
219.02933	42.2
220.03278	1.6
221.00797	2.0
226.02705	1.4
227.03487	3.5
235.02469	2.7
243.02995	10.2
245.00864	9.1
247.02455	2.4
255.02951	20.3
256.03647	1.4
263.01962	17.3
271.02481	41.9
272.02954	3.9
283.02512	1.1
284.02740	1.3
299.01642	1.5
299.99438	2.2
300.02731	59.8
300.99878	9.5
301.03433	15.3
320.15613	1.4
335.04031	4.2
391.06757	1.3
407.06186	12.2
463.08936	2.1
627.65179	1.4
709.10449	100.0
710.10681	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	707.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71161	0.3
59.01254	4.8
61.28894	0.3
69.03346	0.4
71.01255	3.4
71.04701	0.7
73.02811	0.9
74.06557	0.3
78.95781	7.3
80.02541	0.5
83.01267	0.4
83.04909	0.5
85.02838	1.2
87.00746	0.5
89.02305	2.3
93.03325	0.3
97.02840	0.5
101.02319	3.4
109.06468	3.1
109.59669	0.3
113.02343	1.5
119.03416	0.7
135.08112	0.4
142.02710	0.5
145.04945	0.6
149.06564	0.3
152.99489	8.9
159.67999	0.3
161.04474	1.6
163.11195	1.4
165.12741	0.4
167.14330	0.7
170.15271	0.3
171.00563	1.1
181.12254	0.9
183.13821	6.0
184.14232	0.4
190.44667	0.4
193.12285	1.5
207.10193	4.8
208.10490	0.3
209.02075	0.4
211.13342	88.7
212.13666	4.6
225.11288	3.7
227.03326	0.8
235.08206	4.6
253.09265	9.2
253.21722	1.3
255.23351	0.4
256.23822	0.3
277.21722	100.0
278.22079	8.9
361.10464	0.5
371.15842	0.4
402.11224	0.3
429.21286	1.1
447.22440	1.3
453.15338	7.1
454.15915	0.6
471.16220	0.4
689.36664	0.8
723.58014	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.0
60.54807	0.4
65.02106	0.4
69.03339	0.4
71.01249	2.8
73.02810	1.0
78.95778	1.4
83.04863	0.5
85.02832	0.8
89.02312	2.6
98.19823	1.1
101.02299	2.9
113.02304	2.0
119.03337	0.5
124.45387	0.4
127.07523	0.4
143.03325	0.4
152.99486	1.0
161.04436	1.2
165.12695	0.5
167.14317	0.8
183.13832	6.2
193.12271	1.7
207.10228	0.5
211.13344	100.0
212.13699	6.3
225.11267	0.8
235.08255	2.9
253.09274	9.1
277.21729	92.5
278.22040	9.4
417.58755	0.5
429.21484	0.8
447.22418	1.4
453.15363	0.8
702.46954	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74704	0.2
55.01756	0.3
57.03318	0.3
58.00496	0.2
59.01252	3.8
59.79366	0.2
62.64149	0.2
67.09847	0.2
69.03329	0.6
70.13533	0.4
70.13942	0.8
71.01253	2.8
72.99162	0.3
73.02828	0.8
78.95776	1.5
78.97012	0.2
83.01244	0.5
83.04903	0.5
85.02828	0.8
86.47861	0.2
87.00764	0.6
89.02330	2.6
94.34492	0.2
97.02856	0.2
99.04422	0.3
101.02320	2.5
109.06487	0.5
113.02345	1.5
119.03389	0.8
145.04958	0.4
151.11186	0.3
152.99466	1.8
161.04483	1.5
163.11119	0.3
165.12727	0.3
166.76289	0.2
167.10666	0.3
167.14317	0.7
169.97079	0.2
179.05557	0.5
183.13838	6.4
184.14211	0.4
193.12271	1.6
207.10251	0.4
211.13335	100.0
212.13667	5.3
225.11240	0.7
228.24115	0.2
235.08191	3.3
253.09267	8.3
253.11899	0.5
254.09714	0.4
255.23337	0.3
259.20697	0.3
277.21713	78.9
278.22064	7.5
279.22714	0.3
286.69019	0.2
296.11978	0.2
358.96344	0.2
361.10754	0.3
429.21274	0.5
447.22324	1.9
448.22684	0.4
453.15451	0.8
538.55090	0.3
689.37463	0.4
712.58252	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49083	0.4
55.07436	0.4
58.00474	0.4
59.01250	6.5
61.98700	1.0
69.03329	0.5
70.04129	2.1
71.01254	3.4
73.02829	1.8
78.95778	6.5
83.04898	0.7
85.02852	0.9
87.00762	0.7
89.02317	1.9
95.04891	0.5
96.96859	0.7
98.20464	0.4
99.92479	0.6
101.02311	2.5
109.06497	1.3
113.02339	1.5
115.91929	0.5
119.03381	0.8
125.02312	0.4
125.09634	0.4
145.04953	0.9
152.99495	10.4
161.04503	1.2
163.11189	1.7
171.00597	1.2
171.10201	1.8
181.12262	1.0
183.13853	5.0
193.12276	0.7
197.11807	0.5
199.09692	1.3
207.10216	3.1
209.11787	5.0
210.12097	2.9
211.13350	74.4
212.13669	4.3
225.11258	4.4
227.03291	0.5
235.08177	4.4
236.08578	0.5
243.12399	1.2
253.09262	8.9
253.21674	1.9
254.09557	0.7
277.21725	100.0
278.22055	12.9
279.22375	2.0
280.22467	0.3
296.41525	0.4
309.28091	0.5
361.10437	0.7
361.43732	0.4
379.11691	0.8
421.12268	0.4
435.14325	0.5
447.22333	1.1
453.15262	3.6
454.15469	0.6
471.16373	9.1
472.16660	0.9
689.36816	1.7
707.37659	7.2
708.37933	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89571	1.8
59.01254	36.2
61.98706	41.5
65.40775	1.8
71.01257	33.2
71.57484	3.2
72.99198	2.7
73.02833	4.9
78.95791	7.2
80.96393	3.4
83.01238	3.4
85.02843	5.9
87.00769	5.8
88.98687	1.9
89.02316	25.5
96.95906	6.2
97.02855	3.2
99.74720	2.0
101.02330	28.5
111.08062	9.8
113.02339	10.5
119.03395	8.9
125.02338	9.5
143.03419	5.4
161.04488	5.1
169.01314	4.4
177.12839	2.5
179.05472	3.4
195.13855	6.3
209.11777	4.5
210.12236	2.1
211.13243	2.4
235.08179	6.7
236.64752	2.1
247.20668	2.2
255.06454	2.6
291.19669	100.0
292.20053	6.8
300.99844	3.0
321.06320	2.3
397.13434	16.1
403.48294	2.2
415.14539	13.9
449.15515	2.0
476.93924	2.1
576.09656	2.3
707.32501	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	707.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89557	0.3
59.01250	10.0
59.01529	0.6
61.98720	0.6
62.91431	0.4
69.03327	0.4
71.01257	4.2
71.01619	0.4
73.02854	1.3
75.42841	0.3
78.17374	0.3
78.95779	7.3
78.96208	0.6
83.04932	0.7
85.02841	1.2
87.00778	1.0
89.02312	2.0
95.01212	0.4
95.04931	0.4
96.96848	0.5
97.02850	0.6
97.06476	0.4
98.19817	1.1
99.92495	1.5
101.02341	3.5
109.06506	1.0
110.88659	0.4
113.02344	1.9
115.91970	1.0
116.92728	0.8
117.92744	0.4
119.03391	0.7
125.02321	0.4
125.09665	0.5
137.73866	0.3
145.05003	0.9
152.99495	10.6
153.09122	0.4
161.04506	1.6
163.11220	1.5
165.12715	0.4
167.14357	0.5
171.00575	1.1
171.10211	2.2
181.12296	0.9
181.21548	0.4
183.13835	5.1
183.15344	0.4
193.12306	1.2
199.09767	1.1
207.10207	2.6
209.11792	10.1
210.12141	6.0
211.13367	76.0
212.13718	3.6
225.11270	4.0
227.03065	0.5
227.34532	0.4
229.43892	0.4
233.19568	0.3
233.22588	0.7
235.08214	4.1
243.12428	0.6
253.09286	8.3
253.21719	2.0
254.09489	0.8
263.20227	0.4
277.21725	100.0
278.22058	14.6
278.24988	0.7
279.22339	4.6
305.58405	0.4
379.11819	0.5
399.14676	0.4
403.08792	0.6
447.22333	0.9
453.15311	3.6
471.16281	7.2
472.16635	0.4
689.36859	0.9
707.37695	6.6
708.37854	1.0
714.14624	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64099	0.7
57.03334	1.2
57.10155	0.7
59.01252	12.8
60.99183	0.8
64.14125	0.7
69.03329	1.8
71.01250	7.0
73.02831	1.9
81.03349	1.2
83.01271	2.1
83.04912	1.7
84.16433	0.7
85.02843	3.3
89.02349	1.9
91.05425	0.9
93.03327	4.3
93.06996	2.1
95.01257	1.4
96.95915	1.1
99.00780	1.1
101.02351	3.2
109.02875	0.7
109.06467	3.1
111.08029	3.9
113.02317	1.9
119.03408	0.7
121.02843	5.2
122.03642	13.0
123.00760	0.8
125.02335	5.5
125.05993	1.8
133.02866	2.7
134.03662	1.9
136.01579	2.0
137.02390	0.9
137.05992	3.3
149.02364	22.4
149.06001	1.6
150.03149	100.0
151.00273	0.8
151.03429	3.6
155.07057	69.4
156.07397	2.7
161.04480	1.2
163.03856	0.9
164.04738	4.1
165.05499	99.3
166.05872	4.8
166.99715	0.9
169.01375	6.9
179.10652	1.1
180.04208	6.6
181.04926	1.4
195.06575	56.1
196.07118	3.1
201.11313	1.5
209.11740	1.3
211.09726	2.9
229.71187	1.1
288.95102	0.7
300.99799	2.1
314.11310	0.7
344.12634	1.3
355.13916	8.3
356.14618	0.8
359.15060	2.9
372.05472	0.7
373.15036	12.8
374.15353	1.3
426.34680	0.8
503.19296	13.4
504.19513	1.4
509.34738	6.7
521.20361	14.5
522.20660	2.0
551.21130	2.9
569.21863	3.1
659.26740	1.6
707.35455	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.4
58.00478	0.9
59.01254	12.8
60.99198	1.0
61.98687	1.3
65.03822	0.7
66.39468	0.7
69.03315	2.0
71.01255	14.3
72.99185	1.4
73.02820	3.9
81.03328	1.6
83.01261	3.0
83.04897	2.5
85.02829	6.2
87.00752	2.9
89.02320	3.2
90.07796	0.6
93.03333	4.8
93.06971	4.1
95.01286	2.8
95.04900	1.0
96.95890	2.9
97.02860	1.3
99.00748	2.6
101.02319	8.9
107.01279	2.8
107.04905	0.8
108.02055	1.3
109.02877	0.9
109.06488	4.6
111.00761	1.7
111.08042	6.6
113.02327	3.9
119.03431	1.5
119.04866	0.8
121.02864	6.6
122.03645	12.0
123.00799	3.5
123.04382	1.2
124.01656	0.8
125.02335	9.2
125.05968	3.8
126.02729	0.8
129.09102	0.8
132.02078	1.4
133.02841	3.9
134.03632	3.2
135.04408	1.4
136.01564	2.0
137.02353	2.2
137.05980	6.6
140.01003	0.8
147.04402	1.5
149.02353	30.3
149.05992	3.2
150.03133	79.9
151.00180	0.7
151.03432	3.5
155.07051	100.0
156.07352	4.0
163.03903	1.2
164.04721	5.4
165.05489	67.1
166.05852	2.8
166.99834	1.6
169.01343	9.2
177.01865	1.3
177.05428	1.1
179.03436	0.8
180.04169	4.4
181.04985	3.5
183.03148	0.8
195.06569	32.4
196.07275	4.2
201.11275	2.1
207.10423	1.0
209.11761	2.0
211.09744	4.9
225.11287	1.7
243.12401	0.9
247.86374	0.7
254.30072	0.8
261.27075	0.7
261.38849	0.7
279.87201	0.7
285.04126	2.3
299.99167	0.9
300.02692	0.9
300.99924	3.6
301.03445	1.7
333.13113	0.9
344.12604	1.9
355.13968	9.0
355.18280	1.0
359.14819	5.7
360.15436	1.4
373.15067	12.4
470.26437	0.8
503.11835	1.6
503.19235	32.0
504.19977	4.0
521.20294	31.8
522.20850	4.7
537.19879	2.6
551.21246	11.9
552.21698	1.7
569.22375	8.2
659.27148	2.4
689.34009	1.9
707.29712	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	707.183
Annotation	Unknow
Peak:m/z	Relative Intensity
61.41737	4.0
67.64728	4.5
69.84914	4.1
70.60979	13.5
83.20910	4.3
83.79746	3.9
83.84239	4.3
85.02839	4.6
103.97927	4.3
107.13338	4.5
131.45195	4.3
134.03656	5.8
135.04422	68.4
145.32506	4.3
161.43533	4.9
179.03423	59.9
189.04601	5.0
191.03952	8.5
191.05551	100.0
195.03699	4.3
234.86563	4.6
239.63380	4.2
353.08804	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
60.68409	2.8
63.64422	2.6
85.02824	7.0
87.00729	3.1
93.03336	7.0
94.26157	2.8
98.19750	5.5
102.61355	2.6
105.91382	3.0
111.04308	2.9
114.49951	3.0
132.18814	2.9
134.03630	4.0
135.04419	61.1
135.05426	4.7
142.10577	2.9
149.06071	2.9
173.04472	4.8
179.03427	48.4
191.05545	100.0
219.86932	3.4
353.08810	46.7
354.09134	5.2
466.74005	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	707.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.6
60.28481	0.2
65.00211	0.2
70.27638	0.2
70.60143	0.2
71.01246	0.5
71.17236	0.2
72.03265	0.2
79.95615	3.1
80.06872	0.2
84.43632	0.2
87.00731	0.3
89.02317	0.4
95.01279	0.3
96.95890	100.0
97.95827	0.4
98.19711	0.4
101.02344	0.2
107.01266	0.5
119.70676	0.2
120.88917	0.2
123.00777	0.4
125.02337	1.5
139.00336	0.2
151.00255	0.3
166.99840	0.4
168.00572	0.2
169.01367	1.7
212.16815	0.2
217.01315	0.2
271.02350	0.4
273.00342	0.2
275.02020	0.3
300.02731	0.8
300.99866	1.3
301.03192	0.4
302.00357	0.3
353.75568	0.2
391.88852	0.2
524.36920	0.2
591.23254	0.5
609.14233	1.2
707.21265	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93427	0.1
59.01248	1.5
61.98704	100.0
67.83669	0.1
71.01260	1.2
71.49236	0.2
72.99193	0.1
73.02827	0.3
83.04912	0.7
84.02056	0.2
85.02827	0.3
87.00776	0.3
88.98680	0.3
89.02299	0.3
95.04952	0.2
97.06481	0.2
101.02331	0.7
109.06461	0.2
113.02330	0.4
119.03388	0.2
125.02322	0.3
125.09656	0.2
135.08041	0.2
139.97186	0.1
161.04485	0.2
163.11227	0.4
165.12798	0.5
166.13120	0.3
169.01332	0.2
169.12244	0.3
171.10281	0.2
179.05562	0.2
183.13835	5.4
184.14177	2.1
207.10268	0.5
209.11774	7.0
210.12109	3.1
211.13445	0.2
225.11290	0.7
227.12827	1.0
228.13245	0.5
235.08255	0.3
236.08580	0.2
253.09329	0.6
443.19397	0.2
463.22006	0.2
464.22314	0.4
617.77454	0.2
656.34460	0.3
673.34534	1.1
674.34784	6.3
675.35443	0.4
707.37628	0.3
721.57660	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.1
57.03333	0.1
57.28912	0.1
58.00467	0.1
59.00951	0.1
59.01250	2.4
71.01250	1.8
72.99171	0.1
73.02815	0.3
78.95763	0.1
80.02547	1.0
81.03332	1.1
83.01257	0.3
83.04898	4.6
84.05202	0.1
85.02805	0.4
87.00764	0.3
89.01777	0.1
89.02321	1.3
91.03883	0.1
93.03335	0.1
93.75590	0.1
95.01250	0.1
95.04909	0.6
97.02846	0.1
97.06448	0.2
101.02318	1.6
109.06477	0.2
111.08043	0.1
113.02339	0.8
119.03376	0.5
125.05998	0.5
127.07571	0.1
128.82082	0.1
135.08087	0.6
143.03424	0.1
145.04906	0.1
147.11693	0.2
149.04523	0.1
152.99457	0.1
161.04471	0.6
163.11194	3.6
163.27116	0.1
164.11475	0.2
165.12767	2.2
166.13110	0.1
179.05544	0.2
181.12247	0.5
191.10728	0.8
209.11769	100.0
210.12099	4.5
211.13414	0.1
229.43283	0.1
233.22704	0.2
235.08173	0.7
253.09258	5.3
254.09724	0.2
259.20590	0.2
275.20209	0.2
277.21710	53.9
278.22058	4.0
287.52673	0.1
445.20761	0.4
469.15076	0.1
705.42279	0.1
734.35468	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12893	0.6
57.03324	0.8
59.01254	7.5
61.98706	100.0
63.60206	0.6
70.63348	1.4
70.63713	1.3
71.01257	6.5
72.99182	1.1
73.02837	2.1
80.02564	0.7
80.96410	1.4
81.03328	1.5
83.01260	1.3
83.04900	6.0
84.02068	1.4
85.02840	1.4
87.00767	1.9
89.02326	4.0
95.01253	0.7
95.04907	0.8
97.02853	1.1
97.06468	1.3
99.00771	0.8
101.02322	5.5
109.06488	0.7
113.02338	2.8
119.03383	1.5
125.02333	2.5
125.09639	0.9
140.01053	0.7
143.03473	0.6
151.11223	0.7
155.07014	1.2
161.04460	1.7
163.11226	3.7
165.12770	9.4
169.01352	2.0
171.10205	1.5
181.61517	0.6
183.13843	67.5
184.14143	3.4
191.10727	0.7
197.11813	0.8
198.12079	0.7
199.13394	1.1
207.10172	1.8
209.11781	84.2
210.12148	4.6
211.13451	3.4
225.11311	2.4
227.12842	15.0
235.08122	3.5
253.09299	6.8
352.69470	0.7
419.23111	0.7
445.20844	1.7
461.19940	0.8
463.21960	4.1
553.24579	0.6
644.51849	0.6
655.33575	2.1
673.34393	64.6
674.34778	11.2
705.38013	3.9
706.37128	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73872	1.6
59.01245	5.5
61.98700	2.1
70.40840	1.7
71.01255	3.7
83.04893	3.8
89.02341	3.0
98.20646	3.9
103.98311	1.8
125.02302	1.8
151.79797	1.8
163.11172	4.6
171.10098	2.5
209.11780	100.0
210.12093	6.4
226.49132	1.6
227.12872	15.9
253.09315	8.1
265.24420	1.6
328.93298	1.8
648.17706	1.7
706.34454	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	705.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89469	0.8
55.01749	0.8
56.60179	0.8
57.03323	1.5
57.36801	0.9
59.01257	15.9
61.98688	1.3
65.00195	0.8
69.03310	1.4
71.01256	13.4
71.06756	2.1
72.99165	2.0
73.02828	2.9
75.00748	1.4
79.01759	1.0
83.01259	3.3
83.04884	2.1
85.02831	5.6
87.00755	100.0
88.01058	1.0
89.02329	9.4
93.03298	1.0
95.01259	3.2
96.95890	8.0
98.95462	1.0
99.00758	1.3
101.02330	9.3
107.01270	4.0
107.49704	0.8
109.02868	0.8
111.00755	1.8
113.02335	6.2
115.54115	0.8
118.98012	0.9
119.03422	3.5
121.02861	1.2
123.00788	7.6
123.08022	0.9
124.01601	1.1
125.02345	21.3
126.02793	1.2
138.01875	0.9
139.00278	3.4
139.03873	0.9
140.01042	2.2
150.03159	1.3
151.00272	2.8
151.03908	1.3
155.07039	1.4
161.04529	1.1
165.05446	1.4
166.99792	1.7
168.00542	3.4
169.01350	24.5
169.12256	2.5
171.10178	1.9
175.02385	1.1
175.03865	1.0
181.08630	0.9
193.04820	0.8
195.06589	1.4
197.11725	5.1
201.11212	1.5
209.11790	8.6
211.02388	2.3
217.04924	1.1
218.90717	0.8
225.11220	1.2
225.14320	0.8
227.12820	1.7
247.02493	1.5
253.09212	1.1
271.04739	1.4
271.17078	2.4
273.18527	1.6
285.03949	1.0
287.20053	1.3
299.98984	1.5
300.02597	1.2
300.99902	4.2
301.03464	1.9
302.00015	1.0
326.22540	0.9
363.21732	2.9
381.22833	9.9
382.22940	1.1
543.28119	84.1
544.28485	11.5
549.12421	1.8
553.19781	1.9
567.13135	1.6
687.32257	6.1
705.20453	25.0
705.33405	8.8
706.20709	5.9
706.33630	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	705.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	13.2
61.98690	15.8
66.79637	3.2
69.02235	2.9
71.01260	62.4
71.30382	2.9
75.39169	2.5
78.95765	8.8
83.04929	5.6
83.05443	2.7
89.02297	3.4
96.95876	4.6
99.00730	3.7
101.02346	4.4
109.06512	4.2
126.59646	3.4
126.89791	2.8
145.75134	2.8
163.11160	4.3
169.01434	3.9
169.31276	3.1
197.11807	7.8
199.13319	4.2
207.10188	10.6
209.11780	100.0
210.12097	6.4
211.11578	4.3
211.13309	22.4
223.13344	49.5
225.11310	11.6
227.12854	29.4
235.08261	6.7
253.09279	10.4
445.20636	6.2
591.48761	3.0
673.34344	8.2
705.32654	19.8
706.34692	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	705.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63424	5.0
59.01245	16.3
59.82545	5.6
61.98700	70.9
71.01251	45.8
78.95785	7.4
86.23672	5.3
89.84599	5.1
98.20545	14.8
101.02320	7.1
113.02395	6.7
129.10793	5.8
137.66641	6.5
197.11742	12.1
207.10216	11.5
209.11768	76.8
211.13310	27.8
223.13347	100.0
224.06430	5.4
225.11244	13.0
227.12805	22.6
235.08057	7.2
293.44589	5.2
459.22394	16.5
544.48010	5.9
673.34546	10.3
705.32697	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	704.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10803	0.2
53.60552	0.2
59.01250	0.8
61.12418	0.2
61.98702	100.0
71.01266	0.4
71.57011	0.2
77.08926	0.2
78.95786	0.7
84.85492	0.2
94.10548	0.2
104.40195	0.2
108.02600	0.2
116.11092	0.2
122.65551	0.2
126.42072	0.2
148.17171	0.2
151.68478	0.2
152.99472	0.3
164.78256	0.2
183.13918	0.3
184.14238	0.3
200.44376	0.2
209.11823	0.2
211.13327	5.6
212.13676	4.1
213.13947	1.9
214.14183	0.5
233.08914	0.2
236.08722	0.2
253.09172	0.3
255.09911	0.2
448.22885	0.2
449.23169	0.3
449.61575	0.2
450.22964	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81897	1.1
53.72045	1.1
59.01226	1.4
63.02268	1.8
65.00190	3.6
70.55415	1.2
71.01275	2.4
79.64788	1.2
83.01271	3.1
107.01257	9.3
109.02888	1.5
111.15460	1.3
112.83965	1.4
115.72742	1.3
121.02829	7.6
123.00798	1.4
125.02334	3.7
139.03931	1.5
149.02304	1.8
151.00285	33.2
155.70145	1.6
161.02423	1.6
161.94496	1.3
163.00290	2.0
166.99811	1.4
169.01329	7.1
178.99763	17.0
193.01347	2.2
255.03287	1.2
273.04193	2.4
291.70575	1.4
300.02808	1.6
301.03528	100.0
302.03818	6.8
313.05646	2.4
366.22256	1.3
615.09912	19.7
616.09961	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	705.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37617	1.5
53.99481	1.5
55.01746	1.5
58.00468	2.2
59.01249	33.1
61.98688	5.6
67.01751	1.9
69.03310	3.2
70.90779	1.6
71.01254	28.8
71.49413	3.5
72.99168	3.4
73.02808	4.5
78.95753	1.8
80.96386	1.6
81.03336	2.3
81.95580	1.4
83.01265	4.7
83.04878	2.5
85.02812	7.5
87.00735	7.3
88.98672	2.4
89.01826	1.8
89.02318	20.9
95.01253	6.8
96.95871	5.6
97.02818	5.9
99.00742	3.2
101.02328	23.5
102.00307	1.5
104.45454	1.5
107.01269	8.1
111.00729	4.0
113.02338	11.4
119.03392	8.2
123.00761	21.9
124.01520	4.3
125.01453	3.8
125.02340	62.6
126.02641	2.2
136.98706	2.3
139.00255	4.7
140.01053	7.5
141.01820	2.6
151.00296	12.2
151.23563	1.4
161.04436	2.3
163.11221	2.8
165.12738	2.4
166.99718	2.2
167.10762	1.7
168.00536	8.6
168.99980	3.5
169.01346	54.7
169.12233	2.3
170.01685	2.2
171.10097	8.2
179.05476	2.9
181.12166	2.2
185.11713	1.9
199.13248	1.7
207.10228	4.8
209.11760	46.6
210.12056	6.1
211.02341	4.7
211.13239	7.2
221.15448	13.4
225.11198	5.1
226.11311	1.8
227.12872	11.8
234.43480	2.2
235.08109	2.8
239.16441	2.1
253.09225	4.4
255.03093	2.0
259.15399	4.5
271.02347	2.1
289.17978	6.8
300.99905	2.7
301.03232	2.3
307.19098	12.5
337.15271	1.6
383.20728	1.7
397.13187	5.4
401.21829	31.7
402.22086	3.7
415.14413	5.8
436.29291	1.8
535.21777	4.0
552.21283	1.8
553.22888	100.0
554.23291	12.4
655.32867	1.8
672.32739	2.1
673.33514	5.4
687.22742	1.9
705.23730	89.3
706.24231	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	703.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62304	2.3
59.01251	10.0
64.77283	2.0
71.01257	5.0
71.56316	2.5
71.57066	2.2
75.36532	2.1
78.95777	7.5
83.04901	2.4
84.68456	1.9
91.41239	2.0
97.02837	2.9
101.02297	4.5
109.06477	24.4
109.98097	2.2
113.02379	2.5
119.93920	2.8
135.07997	2.5
152.99474	3.1
163.11211	11.5
171.10136	4.5
189.09155	6.0
207.10220	40.9
209.11755	7.1
235.08250	6.7
241.14441	7.9
243.64572	2.5
253.09331	10.5
255.23180	16.3
256.23657	2.6
277.21725	100.0
278.22058	8.4
351.73535	2.5
441.33713	4.4
467.31754	5.4
637.07227	2.2
690.12384	2.3
703.40240	6.6
704.43243	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	704.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
61.64500	5.1
80.04951	6.5
93.03361	5.5
94.33451	5.2
98.20512	11.4
102.10859	6.2
109.02883	6.2
111.00775	15.7
123.00805	10.9
125.02317	17.2
142.56821	5.8
145.02869	8.3
161.02371	7.7
163.00244	16.7
166.99747	10.8
169.01332	10.2
173.02470	11.5
175.00284	5.7
177.01822	9.0
189.01863	16.0
191.03464	8.9
201.01772	9.3
203.99220	6.7
205.01256	7.3
209.00847	6.9
216.00513	8.9
217.01372	13.9
229.01465	16.5
229.71617	9.1
233.00987	6.5
242.99352	10.0
245.01041	14.0
247.02524	6.1
257.00940	7.5
261.00369	13.4
270.99017	8.3
273.00543	10.2
274.01346	6.5
275.01920	16.3
284.02206	9.7
288.99915	10.5
291.01413	8.3
298.98260	9.1
299.99155	16.0
300.99899	100.0
312.01508	6.8
314.97736	10.7
315.98590	21.7
316.99323	83.6
317.99762	9.6
332.98944	8.1
385.25470	7.1
463.05267	17.2
518.05664	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	703.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67066	24.4
72.44685	26.6
77.43310	26.0
78.95779	76.9
117.53416	31.0
123.42020	30.3
143.85724	24.3
146.94814	24.3
152.99440	37.3
166.24741	25.3
171.10156	31.9
216.96704	30.0
229.21854	28.6
241.14267	30.5
255.23283	100.0
263.68478	30.6
277.21771	94.5
401.87399	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.8
59.01253	12.3
61.98704	2.2
70.90721	2.5
70.91063	2.2
71.01251	7.2
73.02813	2.9
80.02530	2.4
81.03330	2.7
83.01283	1.1
83.04889	7.9
85.02853	2.3
85.72372	1.2
89.02310	4.8
92.61367	1.4
93.03321	1.7
95.04887	1.6
96.17883	1.2
97.02827	4.4
97.06470	1.7
101.02303	6.6
109.06470	28.5
113.02326	2.7
121.06454	2.1
121.96937	1.4
125.09672	1.5
135.08044	3.5
142.02631	2.1
142.68658	1.1
161.04454	2.4
161.09598	1.3
163.11191	18.4
165.12793	2.7
181.12215	4.4
185.11755	2.0
189.09201	1.7
197.11697	4.1
207.10207	61.0
208.10535	2.9
209.11774	100.0
210.12143	6.8
211.13249	2.8
225.11258	29.0
227.12840	13.6
235.08098	2.5
241.63957	1.6
247.13506	1.5
249.11266	1.4
253.09224	10.5
289.22113	1.2
291.46179	1.4
399.21808	4.1
417.22812	4.6
435.23688	1.6
443.18924	2.9
461.20169	9.3
627.31055	1.5
635.30511	11.8
653.31818	10.4
654.32343	2.5
671.32782	20.1
672.33063	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	703.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00470	11.0
59.01240	44.1
61.98704	92.9
66.02381	15.0
71.01266	29.9
75.00763	16.5
76.41457	11.5
78.95770	36.3
83.04884	15.7
85.00255	12.5
96.95904	14.3
98.19788	37.1
101.02321	18.9
106.46178	14.8
152.99507	14.1
163.11166	20.9
169.01349	26.6
171.10222	18.1
191.10649	13.5
207.10194	67.2
209.11743	100.0
211.13370	86.9
212.13673	22.8
223.13368	71.8
225.11383	23.7
227.12675	21.2
239.12932	28.3
253.09210	23.4
257.17542	74.3
273.17075	53.4
376.46909	14.4
590.33716	17.0
649.32141	46.6
667.33203	48.4
703.32269	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	702.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56227	1.9
59.01258	2.5
69.03325	4.0
71.57230	2.4
76.52750	1.8
78.95782	40.0
81.03348	4.7
89.20946	1.9
97.02830	2.6
101.62099	2.2
109.02829	5.0
109.06519	3.4
111.04523	2.0
120.50317	2.1
122.98454	9.6
123.08054	4.6
152.99516	7.6
163.11217	5.6
168.04285	7.8
179.10712	3.2
184.96785	2.2
189.09196	5.3
207.10205	15.8
211.13354	4.6
221.11830	7.4
224.06912	3.1
224.10555	9.7
231.30646	2.4
231.58580	2.1
239.12868	100.0
240.13306	5.8
255.23285	92.8
256.23642	10.9
279.23294	8.1
281.24933	2.7
282.25006	3.0
293.89838	2.1
295.22925	3.0
346.60483	2.5
446.19693	2.2
480.31061	8.2
544.29114	2.3
643.36115	10.9
702.43420	28.8
703.43726	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	701.448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.6
61.66473	0.2
65.27230	0.2
69.03339	0.2
71.01250	2.5
71.34294	0.4
72.99178	0.2
73.02824	0.9
77.12251	0.2
80.02547	0.7
81.03342	0.6
83.01254	0.4
83.04898	2.8
84.02038	0.4
85.02831	0.8
87.00755	1.0
89.02329	1.6
95.04903	0.4
97.02861	0.2
101.02323	3.1
109.06418	0.2
113.02351	1.2
119.03385	0.7
125.06034	0.2
133.04996	0.3
135.08061	0.3
145.04935	0.9
161.04478	1.3
163.11221	2.3
165.12766	1.5
168.02184	0.2
179.05414	0.2
181.12325	0.3
191.10730	0.7
209.11775	62.0
210.12128	3.5
227.12849	6.5
228.13327	0.2
235.08200	5.9
253.09300	7.1
254.09686	0.2
255.23277	100.0
256.23621	7.6
295.22916	0.3
384.84137	0.2
445.21024	0.3
491.32343	0.4
492.33221	0.2
734.02637	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	7.3
64.46303	0.2
69.03315	0.4
71.01259	1.1
73.02810	0.3
83.04897	0.2
85.02832	0.4
87.00768	0.2
89.02321	1.1
94.44466	0.2
101.02337	1.3
101.15936	0.2
111.08028	0.2
113.02333	0.8
119.03387	0.4
127.68333	0.2
128.61319	0.2
136.64664	0.2
143.03378	0.2
145.04965	0.3
151.56284	0.2
155.10678	0.4
157.20422	0.2
161.04460	0.8
165.12801	0.2
167.10651	0.3
167.14326	0.5
171.10114	0.2
175.65231	0.2
179.05730	0.2
183.13837	6.3
184.14195	0.4
193.12268	1.9
207.10240	0.3
211.13338	100.0
212.13675	5.6
212.15216	0.1
213.23198	0.2
235.08144	1.8
253.09261	3.6
405.80795	0.2
429.21469	0.9
447.22385	6.4
448.22552	0.6
502.12167	0.2
623.34839	1.1
641.35486	0.4
666.14862	0.2
734.75433	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02557	0.5
59.01256	4.2
61.98705	3.9
63.40653	0.5
65.99555	0.4
71.01255	3.6
71.01945	0.5
71.57173	0.5
71.57632	0.7
72.99186	0.5
73.02820	1.2
73.87910	0.5
75.00775	0.5
80.02551	1.8
80.96388	0.5
81.03337	1.3
83.04903	3.1
84.02024	1.4
85.02805	1.5
87.00737	1.4
89.02306	2.6
95.04905	0.8
96.95930	0.7
101.02337	2.9
109.06477	0.8
113.02348	1.3
119.03401	0.6
123.00784	0.6
123.08064	0.6
123.35791	0.5
124.75604	0.5
125.02317	1.9
125.03140	0.5
130.39357	0.5
150.06789	0.6
155.07056	0.7
159.98312	0.6
161.04449	1.0
163.11180	2.3
165.12724	1.3
169.01363	1.3
171.10184	1.8
179.10681	0.7
191.10542	0.6
193.15877	1.1
199.13315	2.9
205.54921	0.6
209.11778	59.7
210.12138	2.2
211.13339	2.0
219.13879	1.2
225.11394	0.6
227.12880	7.8
228.13203	0.9
235.08170	2.3
237.14937	100.0
238.15253	7.0
247.13319	1.1
249.14946	0.7
253.09261	9.1
255.12425	1.5
255.16006	14.4
256.16339	0.6
273.17047	0.9
275.16467	1.2
293.17661	1.2
300.99808	1.0
348.24466	0.5
447.27246	0.6
479.37323	1.1
508.64270	0.6
665.35059	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	701.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18761	0.4
55.21957	0.5
59.01252	100.0
78.95806	0.6
88.76455	0.4
100.30510	0.5
135.31952	0.5
225.41942	0.4
229.61111	0.6
289.05618	0.5
291.97516	0.5
378.55637	0.5
411.13828	0.5
412.24741	0.5
437.12552	1.1
438.13382	4.5
451.14267	0.8
452.14838	2.1
467.13153	1.2
480.14191	0.6
481.15195	29.5
482.15518	8.0
495.16748	12.0
495.22598	0.3
496.17218	3.1
497.18387	5.9
498.18329	1.0
514.14960	2.0
515.14832	0.6
523.16156	0.5
525.14294	1.0
539.15741	2.1
540.16486	6.9
541.16852	1.5
551.19360	0.7
553.17151	0.7
554.17999	3.0
555.18842	57.3
556.19177	10.7
567.18933	1.6
568.02039	0.5
572.15540	15.0
573.15546	3.2
586.17279	6.5
587.17688	1.2
599.21722	0.5
609.19849	0.9
627.21320	0.9
641.22577	25.1
642.22906	6.2
701.24652	44.1
702.25006	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	699.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.3
57.03326	0.4
58.00470	0.2
59.01253	3.1
65.37675	0.2
70.31731	0.3
70.32144	0.6
71.01252	2.6
72.99187	0.3
73.02824	1.0
77.72987	0.2
78.95781	0.2
80.02535	0.7
81.03329	0.7
83.01262	0.5
83.04901	3.5
84.02062	0.6
85.02824	0.9
87.00748	1.0
87.29442	0.2
89.02328	2.0
95.01257	0.3
95.04897	0.6
97.02845	0.2
99.00755	0.4
101.02332	2.9
101.53773	0.2
113.02343	1.5
119.03382	0.5
125.05969	0.4
125.09544	0.2
133.04951	0.2
135.08116	0.3
143.03403	0.3
145.04977	0.6
145.08083	0.2
157.04961	0.2
161.04539	1.1
161.05617	0.2
163.11209	2.4
165.12766	1.4
171.70772	0.2
179.05490	0.2
181.12231	0.5
191.10670	0.6
209.11777	61.7
210.12120	2.8
225.11320	0.3
227.12840	7.3
228.13188	0.3
235.08218	5.9
236.08400	0.3
253.09323	7.6
253.21710	100.0
254.09406	0.3
254.22057	7.6
255.23260	0.8
293.21375	0.2
307.79080	0.2
445.21277	0.3
489.30896	0.4
569.72290	0.2
699.42310	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02071	0.7
57.03315	0.9
59.01249	5.9
61.98704	1.2
70.35403	1.6
70.35804	1.9
70.66503	0.8
71.01247	3.6
75.27155	0.7
76.31799	0.8
87.00780	1.1
89.02331	2.3
97.02787	1.1
101.02313	3.6
101.58817	0.7
111.08075	4.4
113.02324	2.0
125.02274	1.0
125.09607	2.5
127.11188	1.3
141.48790	0.8
161.04466	1.8
169.12263	1.7
171.10182	100.0
172.10501	3.6
187.09636	1.1
197.11768	24.6
199.13387	1.5
204.13394	0.9
211.13396	5.4
227.12801	1.6
235.08171	3.1
253.09254	10.3
263.20178	1.0
291.19687	14.0
292.19995	1.5
309.20697	31.3
310.21063	1.8
699.39679	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	699.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02514	0.8
59.01254	22.7
61.98721	1.1
71.01254	3.1
71.37326	1.7
75.33764	0.9
83.01267	1.1
87.00748	1.0
88.13647	0.9
89.02322	2.5
101.02343	3.7
110.23059	0.9
113.02285	1.4
121.26861	0.8
161.04555	1.2
166.32906	0.8
171.10170	3.4
179.05505	1.3
183.13834	6.6
193.12210	0.9
200.95644	1.0
209.11784	99.5
210.12151	4.7
211.13350	100.0
212.13686	6.6
235.08139	3.4
248.08037	1.4
253.09267	8.5
429.21112	1.3
445.20966	2.1
447.22333	5.4
578.28119	1.2
643.99487	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18036	6.5
52.84116	6.3
52.91147	6.7
59.01252	100.0
61.98706	56.6
69.94470	29.6
71.01262	55.5
72.99163	7.3
73.02817	13.2
75.00753	15.2
78.95780	9.9
81.30202	6.1
82.95287	11.0
83.01284	9.9
83.04892	15.8
85.02834	19.4
87.00740	16.1
87.04425	9.5
88.98691	15.8
89.02333	26.1
96.95895	9.5
97.06487	9.5
98.19801	14.4
101.02306	36.2
109.06471	11.4
111.08040	7.6
113.02351	21.1
116.92665	7.3
121.02846	8.3
125.02336	26.6
125.09644	13.8
144.85902	6.5
161.04446	16.2
169.01357	29.9
171.10181	93.9
177.92509	8.7
179.05499	11.0
207.10141	17.8
209.11742	44.3
211.13336	19.0
233.15443	21.5
235.08206	9.1
235.13303	15.1
249.15007	41.2
273.17053	12.0
283.19128	8.7
300.99924	15.2
308.21414	7.6
349.67883	7.2
382.26917	7.9
385.23773	16.2
403.24973	48.1
421.25888	9.5
427.13358	7.4
491.25012	7.6
621.32623	72.0
622.32886	12.0
639.33160	82.5
639.42743	10.8
640.33545	10.1
679.79205	7.4
699.36127	16.6
708.29315	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	697.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22989	0.7
59.01262	7.8
59.67776	0.7
71.01237	3.5
71.37188	1.7
81.14853	0.7
83.01250	1.1
83.04903	3.3
85.02802	0.8
89.02329	3.0
101.02331	3.0
113.02318	1.5
141.64952	0.7
161.04498	1.4
163.11177	1.2
165.12733	1.2
171.10164	1.1
191.10724	0.9
199.09764	1.7
200.10054	1.4
201.11302	2.7
209.11781	62.8
210.12067	2.4
227.12863	6.5
235.08217	7.0
251.20145	100.0
252.20422	6.5
253.09238	7.9
253.21710	1.5
277.21707	2.8
278.22110	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.7
57.03296	0.8
59.01254	4.8
61.98714	6.3
62.00964	0.5
71.01255	3.4
71.04064	0.6
73.02825	1.0
73.73479	0.6
78.95776	14.0
80.02545	2.6
80.96390	0.8
81.03325	2.7
83.01234	0.6
83.04890	9.0
84.02029	2.4
85.02834	1.2
87.00730	0.8
89.02305	1.4
95.04926	1.3
96.95877	3.8
96.96851	0.7
101.02317	2.1
101.66619	0.6
107.01276	0.8
109.06453	0.9
111.00809	0.6
113.02348	0.9
116.92765	1.3
121.02802	0.7
121.99960	0.8
123.00771	1.3
124.01567	0.7
125.02341	3.4
125.05941	0.7
132.02075	1.2
133.02895	1.0
134.03659	5.5
135.04399	1.2
135.08070	1.1
140.01089	7.3
149.06068	1.1
151.00266	0.9
160.01544	3.1
161.02367	1.5
161.04427	1.0
163.03912	0.8
163.11209	6.6
165.12741	3.5
169.01369	3.7
175.03917	3.3
179.03391	0.8
181.04915	1.1
181.12241	1.5
191.10698	1.8
193.05011	3.2
196.03735	2.1
209.11774	100.0
210.12115	6.0
227.12845	22.8
228.13359	1.0
235.06059	0.9
236.06491	0.7
255.02940	1.4
259.15482	1.0
265.07199	0.7
276.80957	0.7
285.04089	2.0
286.04431	1.5
287.05600	0.8
299.99197	0.8
300.99850	2.8
301.03311	1.2
343.49234	0.6
424.17258	1.2
438.18976	0.7
456.19919	2.2
456.93503	0.6
506.70557	0.7
634.29810	4.3
635.30475	0.7
666.32623	18.0
667.33167	2.7
698.35327	33.5
699.24805	5.5
699.37372	6.7
726.98981	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99045	0.7
56.66130	0.6
59.01254	5.0
62.84874	0.6
63.82569	0.7
64.66753	0.8
66.17372	0.7
71.01264	4.0
73.02818	1.8
85.02786	0.7
87.00735	0.7
89.02314	1.8
89.04627	0.7
97.02837	3.3
98.19802	2.1
101.02326	3.7
109.06481	11.3
110.03575	0.8
113.02319	1.7
135.08075	2.1
136.05199	0.9
142.02629	1.7
161.04457	1.4
163.11194	6.5
171.12924	0.8
181.12288	1.5
186.01282	0.7
189.09120	1.6
207.10210	47.0
207.49951	0.7
208.10564	1.8
209.11716	0.9
217.11215	0.7
225.11276	14.1
230.08340	0.8
235.08167	5.1
253.09297	8.5
253.21713	100.0
254.22026	7.0
279.23215	0.9
374.77026	0.7
443.19116	3.1
461.20261	3.4
697.41589	19.8
698.42328	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	697.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.3
57.03335	0.5
58.00476	0.8
59.01253	4.6
61.12958	0.2
71.01256	4.5
71.14998	0.5
72.99173	0.5
73.02832	1.3
83.01269	1.0
85.02818	1.5
87.00759	0.8
89.02322	3.2
91.03861	0.3
95.01271	0.5
97.02844	0.3
97.06478	0.4
99.00784	0.3
101.02324	4.2
108.37951	0.2
113.02346	1.9
115.03941	0.2
119.03384	1.2
123.08009	0.3
125.02345	0.4
125.09628	4.1
127.11184	5.5
127.12117	0.3
128.11559	0.2
133.04955	0.5
137.09596	0.7
139.11194	0.7
143.03331	0.3
145.04944	0.5
153.09206	0.4
153.49905	0.2
155.10709	2.0
157.04921	0.2
157.12234	0.7
161.04465	2.1
165.09143	2.4
171.10193	2.3
179.05513	0.7
183.10161	1.0
199.09702	2.0
201.11266	100.0
202.11610	4.6
209.11810	0.6
233.22743	0.3
235.08189	6.0
236.08524	0.3
253.09267	16.9
254.09619	1.0
277.21725	73.1
278.22061	5.7
405.17581	0.6
419.19098	0.6
433.33234	0.5
437.20349	1.4
443.31702	2.4
444.31821	0.3
461.32620	1.3
470.50412	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57042	1.6
58.00452	2.1
59.01249	23.4
61.98697	7.7
65.42973	1.6
71.01247	14.5
71.99715	1.7
72.99184	3.0
73.02825	2.9
75.00756	1.8
78.95772	2.6
85.02821	3.3
85.45254	1.6
85.50417	1.5
88.98716	4.4
89.02319	10.4
93.03298	2.7
94.38033	1.6
95.01300	2.2
96.95883	9.9
97.02785	1.6
98.19743	3.8
101.02341	8.0
107.01277	2.4
108.02062	1.9
109.02792	2.5
111.00726	2.5
111.04298	1.8
113.02336	6.7
116.92737	2.0
117.03351	2.6
119.03377	4.8
119.04913	1.7
121.02911	2.0
123.00783	3.8
123.04391	2.3
125.02337	10.1
128.03456	1.7
132.02048	7.4
133.02861	3.9
134.03636	62.4
135.04483	7.8
136.01530	5.5
137.02359	5.7
139.00235	3.2
140.00983	2.4
145.02863	3.6
147.04495	7.9
148.05194	3.6
149.05986	18.9
151.00241	3.6
151.03966	3.0
152.99426	1.8
155.07037	3.9
158.03630	2.2
160.01587	41.7
161.02121	5.3
161.05916	1.9
163.03915	3.2
163.07565	1.9
168.00517	2.5
169.01335	13.1
173.06038	4.1
175.03937	54.8
176.04716	23.8
177.01839	6.8
178.02643	10.1
179.03391	6.0
191.07085	36.3
192.04161	2.1
192.07297	2.0
193.05005	86.4
194.05316	4.3
202.02518	2.6
207.06575	10.2
217.05043	6.6
220.03757	5.3
224.04672	2.3
229.05029	2.0
235.06082	100.0
236.06454	4.8
238.06375	2.3
239.10588	2.2
241.08670	1.7
251.06996	2.2
255.02885	3.1
255.10196	4.9
265.07156	64.8
266.07809	3.0
269.11560	2.2
271.04651	2.9
283.09766	24.6
285.03937	11.9
286.04495	2.7
295.08212	94.9
296.08514	4.8
298.12000	2.7
299.99124	3.4
300.03021	1.7
300.99963	9.5
302.00143	2.3
303.00772	2.0
307.08267	3.0
311.09256	60.2
312.09573	5.0
325.10626	8.1
326.11594	29.6
327.12021	2.3
337.09372	6.1
338.09540	2.7
339.09717	2.3
341.13937	58.6
342.14322	5.2
355.10339	10.2
421.66229	1.9
545.22620	1.7
599.95117	1.7
697.29706	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	697.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	1.3
59.01252	7.1
61.98703	1.3
69.49267	7.9
71.01251	6.3
73.02808	1.6
75.00734	1.2
76.97036	1.1
85.02815	3.4
86.29283	1.1
87.00749	1.2
88.98676	1.9
89.02319	2.9
93.03282	1.1
95.01265	1.2
96.95882	7.0
101.02327	3.2
107.01216	1.5
111.00758	1.7
113.02317	2.5
119.03381	1.3
119.04916	1.0
121.02830	3.3
123.00742	2.7
123.04471	1.4
125.02365	6.8
125.63859	1.1
132.01164	1.6
132.02084	26.8
133.02823	3.8
134.03632	28.1
135.04424	2.0
137.02330	1.4
145.02864	1.5
147.04427	2.9
149.02368	1.0
149.05968	5.9
151.00267	1.5
155.07034	4.1
159.04388	1.7
160.01573	96.6
161.02022	4.4
161.04532	1.4
161.05969	1.6
163.03824	1.1
168.00526	1.2
169.01350	10.6
175.03929	100.0
176.04294	5.3
177.05466	1.2
178.02588	1.4
179.03352	1.6
182.63121	1.0
187.11093	1.7
193.05000	21.8
194.05280	1.7
205.04993	1.2
209.11673	1.1
217.04868	2.4
255.10114	1.7
269.08136	11.3
270.08408	1.2
281.08081	2.2
283.09671	5.8
298.12122	1.3
299.09256	7.3
299.99149	2.5
300.99838	3.8
311.09262	12.7
311.36484	1.1
314.11530	17.3
315.12213	3.1
325.10611	1.5
326.11581	10.0
329.13916	19.4
330.14111	2.4
337.09299	84.8
338.09625	6.6
341.13855	7.9
361.16718	1.2
505.20523	2.1
514.06110	1.3
514.93225	1.0
635.19739	2.8
650.73413	1.1
697.25012	49.7
698.25458	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	697.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46052	0.5
57.03316	0.5
59.01250	6.3
61.98707	2.4
62.97944	0.4
66.91245	0.5
71.01246	4.4
71.57632	1.1
72.99193	1.0
73.02840	0.9
75.21822	0.5
77.30420	0.5
77.46548	0.5
83.01295	1.0
85.02839	2.1
87.00758	0.9
88.98685	0.7
89.02344	1.6
95.01292	0.9
96.95882	3.2
99.00830	0.7
101.02333	2.8
105.03342	0.8
109.02851	0.9
110.53609	0.5
113.02364	1.7
113.32689	0.6
117.03357	2.7
119.03372	0.8
121.02841	2.0
123.00769	0.9
124.01577	0.5
125.02349	2.8
127.03924	0.7
132.02069	25.4
133.02870	4.3
134.03635	27.2
135.04512	3.1
137.02382	1.3
145.02802	0.6
147.04474	0.8
149.02382	0.8
149.06023	3.0
150.03152	0.5
153.95296	0.5
159.02905	0.6
159.04419	0.7
159.08699	0.5
160.01575	93.3
161.02345	12.8
161.04424	0.8
162.02831	0.6
169.01318	3.3
175.03928	100.0
176.04268	5.0
178.02629	2.5
179.03438	1.6
193.04990	21.6
194.05373	0.8
207.06526	1.0
209.11719	1.0
227.03424	1.0
229.05051	1.3
235.06059	1.6
255.02953	2.0
265.50595	0.5
268.44629	0.6
269.08032	1.1
281.08368	0.8
282.08755	0.6
283.09659	0.8
284.03094	1.2
285.04016	9.0
286.04190	0.8
295.09137	0.6
299.99252	3.5
300.99823	6.5
302.00049	5.4
303.00412	2.7
311.09216	1.5
314.11304	1.2
315.12354	1.6
326.11453	1.8
327.12143	1.7
329.13834	1.9
341.13779	1.6
343.11600	0.7
458.15790	0.8
459.16513	1.8
471.16327	2.0
473.18195	1.6
476.16531	1.5
485.17938	1.6
491.19278	5.1
492.19092	0.6
503.19299	8.4
561.19623	1.5
637.61121	0.8
653.17688	1.0
667.23950	52.6
668.24359	9.6
679.23944	32.0
680.24341	6.9
697.16815	1.8
697.26990	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01598	0.9
60.68996	0.2
61.98707	2.0
70.85890	0.5
70.86284	0.5
71.01272	0.7
79.54817	0.2
81.22991	0.2
85.02809	0.4
89.02336	0.6
90.79896	0.2
101.02345	0.5
113.02357	0.5
121.02841	2.3
125.32002	0.3
161.04550	0.3
171.10167	2.0
191.03378	0.8
209.04497	1.5
209.11771	0.4
211.13361	0.3
289.18149	0.7
307.19165	0.2
455.69379	0.3
475.34454	0.9
534.87488	0.2
535.01282	0.2
593.13190	0.6
637.42126	0.4
728.38403	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71154	0.2
51.40946	0.2
55.83036	0.2
58.71321	0.2
59.01249	0.3
69.26993	0.3
69.27408	1.3
71.01250	0.3
79.95608	3.3
85.02872	0.2
96.95890	100.0
97.95825	0.4
98.19747	0.3
107.01259	0.4
111.00794	0.2
119.03461	0.2
123.00807	0.2
125.02313	0.8
125.24895	0.2
151.00296	0.6
157.34479	0.2
169.01326	0.8
170.01749	0.2
229.05008	0.5
257.04547	0.4
285.04041	7.3
286.04382	0.5
292.54330	0.2
299.99213	0.2
300.99930	0.5
313.05588	0.9
484.14966	0.2
599.10651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22577	0.1
53.20714	0.1
54.08411	0.1
69.41019	0.2
69.41381	1.4
71.01250	0.2
75.30493	0.1
79.95610	2.9
85.99428	0.1
96.95890	100.0
97.95819	0.3
107.01250	0.2
111.00734	0.1
123.00800	0.3
125.02339	1.5
137.92665	0.1
139.00323	0.2
151.00284	0.3
169.01331	2.1
218.82722	0.2
227.03458	0.3
255.02939	0.5
284.03296	0.9
285.04095	0.7
300.99786	0.3
313.05615	0.4
539.12073	0.1
599.10406	3.5
600.10724	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.3
57.03324	1.7
58.00460	0.9
59.01253	100.0
60.01577	1.0
61.98720	2.5
71.01256	33.6
72.99188	2.7
73.02831	5.8
75.00700	0.7
78.95798	0.9
83.01269	2.4
85.02827	11.3
85.06469	2.0
87.00769	1.9
89.02320	17.5
89.56011	0.6
95.01264	3.0
96.95910	0.8
97.02898	0.7
98.19729	0.8
99.00758	2.3
101.02325	19.5
113.02324	11.0
119.03386	6.3
131.03340	0.9
143.03439	1.6
159.02899	1.7
161.04440	8.5
169.01312	1.0
179.05542	2.6
204.43819	0.5
209.11853	0.7
211.13412	1.7
265.10461	0.6
305.74570	0.6
345.27942	1.6
399.33450	0.7
417.33743	41.7
418.34152	4.3
429.33743	9.7
430.34256	1.0
473.36566	16.4
474.36697	2.4
542.99786	0.7
635.41663	92.3
636.41949	16.3
679.40735	0.7
695.44556	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	695.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44780	0.6
52.46660	0.6
56.86446	0.6
57.03288	0.6
59.01249	4.3
70.63380	2.2
70.63731	0.7
71.01236	3.5
73.02817	1.0
80.02538	0.6
81.03328	1.4
83.04906	4.8
84.02056	0.7
85.02805	0.9
89.02337	2.1
95.04905	1.0
101.02339	2.5
113.02337	1.0
119.03362	0.8
135.08060	0.8
163.11179	3.2
165.12743	2.3
165.55496	0.7
171.10184	2.5
181.08649	0.9
191.10724	0.7
199.09708	7.3
209.11774	100.0
210.12151	5.8
211.00201	0.8
227.12854	11.5
235.08231	1.8
249.18571	47.2
250.18965	3.3
253.09250	7.8
277.21692	6.3
405.30164	0.7
435.18494	1.7
451.18942	0.8
526.37555	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	6.4
64.37841	1.0
70.57529	0.7
71.01262	5.7
71.56523	1.2
73.02827	3.4
78.95773	0.9
81.03346	1.1
83.01260	0.9
83.04909	3.6
84.02034	1.0
85.02814	1.2
87.00768	2.1
89.02318	2.1
101.01797	0.8
101.02330	4.8
113.02350	1.6
117.92181	0.9
119.03372	1.1
127.11053	0.8
131.03415	1.0
135.08054	1.0
145.04997	0.9
151.56104	0.8
153.09155	0.9
161.04500	1.3
163.11182	3.3
165.12755	1.6
171.10185	4.2
179.05411	1.0
181.08649	1.1
191.38530	0.8
199.09698	11.3
209.11777	85.4
210.12231	3.8
227.12881	9.7
235.08209	7.7
249.18578	100.0
250.18973	8.4
251.20419	0.9
253.09329	12.8
277.21741	15.5
278.21909	1.0
279.23389	0.9
435.18619	1.5
695.40594	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00867	0.4
58.00465	0.7
59.01247	5.1
61.98672	0.7
69.03304	0.8
69.99691	0.5
71.01256	5.2
71.56843	0.7
73.02825	4.6
75.22349	0.5
78.95775	1.9
79.05686	0.4
83.01254	1.1
84.02050	0.5
85.02837	1.4
87.00755	1.1
89.02339	2.8
95.01234	0.5
95.04855	0.7
97.06483	0.5
99.00727	0.5
101.02322	4.9
110.39525	0.5
111.00784	0.7
113.02320	2.2
119.03388	0.6
125.05994	0.8
125.09592	2.2
127.11167	1.0
137.09619	3.3
138.55457	0.5
145.04988	1.2
151.07498	0.6
153.09103	1.8
155.10693	3.1
161.04463	1.9
163.07582	0.7
171.10194	11.8
179.05498	0.6
179.52776	0.4
181.08626	6.0
197.11772	1.4
198.12021	0.9
199.09695	48.6
200.10040	2.0
201.11278	1.2
206.62007	0.5
207.10248	1.3
225.11316	1.4
233.22365	0.5
235.08185	8.3
236.08582	0.8
239.12453	0.4
249.09364	0.5
251.20032	2.9
253.09261	11.4
254.09383	0.5
255.23227	1.3
277.21722	100.0
278.22086	9.8
279.22815	0.6
417.17612	4.1
435.18787	2.8
441.29990	1.5
504.44974	0.5
513.31000	0.7
677.39185	0.9
695.39764	6.3
696.40332	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24783	0.5
54.88403	0.5
57.03329	0.9
58.00459	1.9
59.01250	6.7
61.84875	0.5
61.98678	1.0
65.40720	0.5
69.03333	1.0
69.44119	3.7
69.44533	1.1
71.01256	7.5
72.99190	1.0
73.02815	6.4
75.00758	0.8
78.95779	1.2
81.03354	0.6
81.16663	0.5
83.01286	1.2
83.04886	0.5
84.02040	0.7
85.02821	2.5
87.00735	1.6
89.02325	5.0
92.77016	0.5
97.06496	0.7
99.00738	0.7
101.02327	5.9
111.00790	0.8
113.02356	2.6
119.03359	1.3
123.08034	1.3
125.06008	3.9
125.09607	4.8
127.11181	2.6
129.01767	0.9
135.08064	0.9
136.23233	0.5
137.09654	4.6
138.09959	0.7
143.03433	1.2
143.10725	0.6
151.07581	1.9
152.99489	0.8
153.09094	2.4
153.22911	0.6
155.10687	4.5
161.04465	1.9
163.07539	0.9
169.12410	0.6
171.10187	27.6
172.10553	1.1
179.05507	1.8
181.08617	8.9
199.09695	100.0
200.10060	4.8
201.11243	1.1
207.10318	0.7
209.11745	0.9
217.10751	1.4
225.11400	0.8
235.08180	2.7
235.60011	0.6
251.20218	0.6
253.09221	10.9
253.21657	0.7
255.23201	0.8
277.21729	62.8
278.22095	5.4
279.23190	0.8
315.17542	0.6
415.32278	1.7
417.17712	4.0
433.23438	0.7
435.18723	22.3
435.24658	1.3
436.19168	1.9
441.30057	3.6
497.08105	0.6
648.45856	0.6
677.38464	1.0
695.40118	8.7
696.40680	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	695.313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20788	1.4
59.01252	100.0
61.98691	2.0
71.00134	1.4
71.00448	2.1
75.29823	1.4
78.95375	1.4
78.95785	18.5
80.91537	1.2
80.96362	1.7
108.64226	1.1
112.38809	1.4
125.93764	1.3
152.99483	3.0
194.77983	1.3
205.15862	1.6
209.11705	2.7
210.12022	1.5
211.13457	1.2
255.23160	2.5
256.23584	2.1
279.23160	1.9
317.09082	1.3
653.29272	1.6
695.30981	52.8
696.31616	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	694.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01226	1.5
71.01276	0.8
74.76881	1.0
78.95776	19.5
80.02556	1.8
81.03339	3.3
83.01237	1.0
83.04903	8.6
84.02068	1.6
86.07339	1.0
95.04897	1.0
104.09129	0.8
106.78568	0.8
110.98812	1.0
125.05907	0.9
140.01070	7.7
152.99457	4.6
157.08691	1.0
163.11205	8.0
165.12784	3.4
181.12196	1.1
191.10727	1.9
196.03735	4.6
197.11824	2.9
199.09715	1.3
199.13315	8.6
209.11772	100.0
210.12129	5.2
227.12839	26.3
227.15100	1.0
228.13226	1.9
229.66469	1.3
253.09184	1.5
255.23268	61.4
256.23645	3.9
277.21677	7.5
278.22012	1.8
452.27783	5.1
456.17313	1.2
457.17743	3.4
458.17401	1.8
483.58240	1.1
662.40424	16.7
663.40607	2.3
694.42981	32.9
695.43542	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	693.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03282	0.5
58.00454	0.5
59.01252	100.0
60.01578	0.9
61.98701	1.9
64.60432	0.5
67.15714	0.4
71.01255	12.7
71.14572	1.0
72.99190	1.3
73.02831	1.0
78.95789	1.0
83.01254	0.7
85.02828	2.7
87.00759	0.8
89.02318	14.5
90.58051	0.4
93.87900	0.4
95.01268	0.9
96.95902	0.8
99.92465	0.9
101.02329	8.5
113.02334	5.7
115.91959	1.6
119.03394	7.5
121.02853	1.9
125.02335	1.0
131.03447	1.0
142.94362	0.6
143.03421	1.9
149.04494	0.8
159.02882	0.6
161.04472	4.7
169.01270	0.7
173.68753	0.6
179.05545	6.9
207.10251	1.4
209.11864	1.6
211.13338	4.2
225.11292	0.9
227.12709	0.6
253.09477	0.6
358.64792	0.5
385.93576	0.5
435.32666	1.4
453.33942	1.3
471.34818	1.7
615.38953	9.8
615.48779	0.5
616.39624	2.0
633.40149	2.7
637.32581	1.2
639.33112	1.0
655.34607	0.6
693.06140	0.7
693.42902	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.6
57.03316	1.3
58.00462	2.0
59.01253	39.1
61.98719	1.0
62.71753	0.6
69.03336	1.6
70.09686	0.6
71.01257	39.0
72.99194	3.0
73.02818	6.1
73.04847	0.5
75.00734	0.7
75.93402	0.6
78.95789	1.8
81.03338	1.3
83.01263	4.3
83.04907	1.0
85.02821	7.4
85.99953	0.7
87.00758	9.0
89.02319	30.2
91.03862	1.2
95.01270	2.4
97.02838	6.4
99.00754	2.7
101.02326	29.0
111.04425	0.8
113.02335	15.3
119.03400	8.9
125.02335	12.2
129.01807	0.6
131.03407	1.2
133.04938	1.0
139.00148	0.6
139.03864	1.2
143.03395	4.6
149.04483	0.8
152.99507	2.0
161.04472	6.5
167.03464	0.6
179.05536	6.7
209.11760	1.0
217.07159	1.3
221.06610	2.7
224.18102	0.6
235.08199	12.6
253.09294	3.6
263.07727	2.0
277.09235	1.1
277.21759	1.6
287.07742	2.5
293.24881	100.0
294.25201	8.2
305.08701	3.5
323.06265	0.5
323.09933	2.1
379.12555	0.8
397.13504	65.1
398.13885	4.4
401.98322	0.6
415.14575	26.9
416.14810	2.1
597.68793	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	38.7
61.98693	16.5
69.38580	46.5
71.01244	14.8
75.00742	10.4
83.04895	5.1
85.02801	6.5
87.00760	5.4
88.98710	6.8
89.02314	6.0
96.95918	13.8
98.20578	10.9
101.02324	5.5
107.01280	10.1
113.02269	9.3
119.18098	5.6
123.00764	8.1
125.02328	22.6
151.00311	8.3
155.07089	7.3
161.04538	5.6
165.63333	6.2
169.01300	23.0
171.10237	10.7
171.43309	5.5
179.10629	5.5
183.13832	12.7
209.11774	100.0
210.12111	12.1
211.13359	97.6
212.13559	10.3
227.03459	11.9
227.12816	23.2
235.08199	7.9
238.63519	5.6
252.00673	5.4
253.09250	9.9
255.03003	22.8
270.98602	6.3
284.03241	15.3
285.04056	22.4
300.99887	9.2
315.67078	5.7
445.20688	6.7
493.35294	13.0
597.53442	6.5
621.32672	19.7
637.31934	7.7
639.33374	9.7
657.34955	17.4
693.23016	13.6
693.35345	16.8
694.22479	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	691.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.08371	1.2
60.37842	1.0
64.40904	0.9
78.95779	40.0
80.02559	1.5
81.03342	1.9
83.04903	6.3
95.04931	1.2
95.96069	0.9
96.96840	3.9
118.85683	1.0
152.99501	57.2
163.11201	5.0
165.12744	5.0
171.00609	4.9
191.10652	2.0
209.11777	100.0
210.12082	6.6
227.03250	3.9
227.12793	11.6
245.04401	1.6
253.21721	19.4
254.22243	1.6
277.21735	4.0
363.12158	6.5
413.30768	6.1
435.38669	1.3
437.15842	5.5
455.16888	88.6
456.17261	8.1
691.38287	40.7
691.50098	2.2
692.38684	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	691.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
61.17002	0.7
64.02942	0.8
78.95776	36.0
80.02542	1.8
81.03329	2.0
83.04897	9.0
84.02044	1.0
96.96832	3.1
98.08495	0.7
99.44051	0.8
114.11431	0.7
135.08101	1.6
152.99495	56.4
163.11252	6.0
165.12798	4.2
169.94835	0.8
171.00531	5.5
179.47772	0.7
181.12228	1.6
191.10750	2.0
206.25734	0.7
209.11777	100.0
210.12100	4.8
227.03239	5.3
227.12848	12.8
229.33780	0.9
245.04337	2.1
253.21707	23.7
254.22054	1.8
277.21909	1.1
363.12021	7.1
437.15869	6.3
455.16885	99.6
455.55832	0.8
456.17245	7.5
673.83215	0.8
691.38263	57.8
692.38733	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	691.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12678	0.7
54.32554	0.6
55.97752	0.6
59.01250	3.5
62.54650	0.6
69.52855	5.3
69.53194	1.0
71.01259	3.5
73.96700	0.7
75.30865	0.6
80.02567	1.1
81.03336	1.0
83.04894	4.2
85.02824	1.7
87.00764	0.7
89.02309	2.3
92.15323	0.7
96.95866	1.0
101.02333	2.9
109.06532	0.6
110.36012	0.6
113.02349	1.3
123.00748	0.8
125.02353	1.9
125.05988	0.8
127.11211	0.8
135.49010	0.6
141.28938	0.7
151.45865	0.7
161.04431	1.5
163.11162	3.0
165.12782	2.0
169.01328	2.0
171.10196	1.5
191.10680	1.0
201.11246	21.1
202.11569	1.3
209.11768	100.0
210.12079	6.8
227.12837	13.9
228.13211	1.0
235.08186	2.8
249.35979	0.6
253.09242	8.8
301.00143	1.0
329.30988	0.7
335.95322	0.7
363.35977	0.8
378.87839	0.7
431.92914	0.7
437.20340	1.0
445.20953	1.1
527.96857	0.7
535.30829	1.0
637.31604	1.1
655.32971	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.8
59.01248	11.4
61.98692	3.3
68.73256	1.3
71.01256	19.4
71.33847	1.2
71.44331	2.0
73.02813	2.2
83.01249	1.5
83.04900	5.7
83.50497	1.1
85.02827	2.4
87.00758	1.2
89.02315	4.9
95.04867	1.8
97.06461	4.2
101.02322	7.8
108.09359	1.1
109.06462	2.9
113.02335	3.1
123.00784	1.7
125.02321	3.4
135.08022	1.5
147.11562	1.1
151.11182	17.6
161.04433	3.2
163.11209	2.4
165.12749	1.5
169.01352	2.4
169.12257	95.2
170.12595	5.7
171.10165	7.9
195.10249	2.3
197.11691	1.3
201.11218	1.5
207.10167	3.8
209.11761	60.0
210.12090	3.2
211.13359	17.0
213.11234	15.4
216.30904	1.5
225.11269	2.7
227.12949	6.1
235.08228	4.7
241.03644	1.2
253.09264	7.5
401.23248	2.2
431.19156	2.5
449.20306	11.9
529.26221	2.5
609.31946	1.6
619.30725	3.0
626.79706	1.4
637.32611	7.1
638.32257	1.8
641.31976	3.1
655.33374	2.8
659.32819	100.0
660.33118	20.4
691.34863	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	691.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.9
58.00469	1.8
59.01258	23.6
59.26875	0.8
61.98697	1.9
69.03310	0.9
69.44145	0.8
71.01257	26.7
71.48782	1.3
72.99181	1.7
73.02821	2.1
77.63789	0.8
78.95772	0.9
83.01254	1.4
85.02839	3.6
87.00754	2.9
89.02324	13.0
97.02827	2.1
101.02341	11.4
109.06452	1.0
113.02348	4.4
119.03407	4.4
123.00833	0.8
125.02325	3.3
127.11191	0.9
130.59041	0.8
131.03441	1.0
143.03424	2.2
161.04451	2.2
163.41797	0.8
171.10179	11.8
171.79124	0.8
179.05600	3.8
183.13885	1.1
195.13832	8.0
197.11533	0.9
199.09766	1.4
199.13338	1.7
201.11221	2.9
205.12102	1.1
207.10185	1.5
209.11734	4.5
211.13359	18.7
221.06642	1.1
223.13423	6.8
225.11328	1.9
227.12849	1.5
235.08186	4.1
253.09322	4.4
274.05093	0.8
275.20209	3.9
293.21237	100.0
294.21579	8.8
305.08801	0.8
308.77832	1.1
372.22452	0.7
397.13547	18.5
398.14005	1.0
415.14569	22.1
416.14777	1.5
493.34714	1.0
551.66913	0.8
673.34338	1.8
691.35535	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	691.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15126	2.3
51.74986	2.3
52.63740	2.3
52.73096	2.2
54.95648	2.7
59.01248	21.9
61.69039	2.4
61.98719	5.0
63.69688	2.6
69.03339	2.6
71.01255	70.7
71.37543	5.7
73.02851	2.6
75.01994	2.5
85.02821	4.2
88.58190	2.4
89.02326	9.3
98.41389	2.8
101.02325	10.1
109.06478	14.3
113.02344	5.9
125.02372	6.5
125.09658	4.4
127.11222	4.0
135.08006	2.8
138.01869	10.5
139.71162	2.3
145.42270	2.6
163.11203	9.3
169.01399	2.7
171.10194	40.2
183.13828	16.1
185.11786	8.1
199.09636	8.9
199.13393	5.4
201.11235	14.0
207.10201	44.2
209.11804	14.3
211.13344	100.0
212.13669	7.8
225.11272	26.3
227.12810	4.0
235.08278	8.7
235.16852	3.1
248.69476	2.8
251.12347	2.7
253.09189	13.6
293.21265	16.1
373.23849	4.3
383.22195	9.2
397.13782	3.7
401.23364	23.5
415.14746	4.0
419.24643	8.2
434.76752	2.7
447.22330	4.6
461.20221	10.1
609.32623	7.1
619.31140	11.9
637.32263	68.5
638.33374	14.3
655.33374	26.6
656.33673	6.0
691.34412	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	691.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45412	6.6
59.01238	35.3
59.99170	6.4
61.00374	7.1
71.01246	15.3
71.26995	17.0
78.95793	17.1
89.02326	15.2
109.06477	9.4
113.02327	10.5
152.99561	7.7
163.11211	11.0
200.80627	8.7
207.10231	47.6
209.11740	78.5
210.12003	9.6
211.13324	100.0
225.11365	33.5
227.12737	11.1
245.44299	6.8
247.38069	8.6
253.09329	14.3
332.57477	7.5
356.30560	7.1
401.23318	21.0
419.24353	12.6
447.22742	10.3
637.32208	48.4
638.32349	8.7
655.32916	43.5
656.33868	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	691.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	10.8
60.94768	5.3
61.98706	10.7
70.62987	16.5
71.01245	10.2
78.95776	9.6
109.06452	9.5
111.59992	6.4
114.74948	5.9
127.02193	6.5
163.11122	7.0
183.13828	11.3
207.10234	36.9
207.11888	6.9
209.11784	9.2
211.13345	100.0
212.13739	10.2
225.11121	28.5
253.09332	14.4
258.65356	6.4
302.29688	6.3
352.98138	5.8
363.00604	6.3
363.50348	8.4
383.22369	7.2
401.23184	7.6
624.26343	6.6
637.32318	48.4
655.33160	43.3
691.30908	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	691.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68845	1.4
55.41817	1.2
57.03318	3.5
59.01252	12.7
61.98685	5.0
62.08545	1.3
66.31302	1.1
69.03323	3.5
71.01253	13.3
72.99169	1.2
73.02793	3.7
75.29970	1.4
78.95750	1.8
81.03316	2.6
83.01258	2.6
83.04886	2.7
85.02813	6.0
87.00745	1.3
88.98697	1.7
89.02309	4.3
95.01283	1.8
96.95873	3.7
99.00770	2.0
101.02330	9.8
107.01250	10.6
109.06451	3.9
111.00747	4.7
111.08009	2.2
113.02299	5.5
119.03327	2.5
123.00771	9.7
123.08021	3.8
124.01550	2.7
125.02340	29.1
126.02737	1.5
136.98665	4.8
137.05943	1.8
139.00272	6.5
140.01086	8.7
151.00262	5.3
153.71594	1.4
155.06075	1.5
155.07068	14.8
161.04399	2.4
163.11159	1.4
168.00569	7.9
169.01338	29.9
177.12692	4.2
183.13782	2.1
185.11661	5.5
199.13326	2.5
200.13831	1.3
201.11334	2.0
207.10197	2.0
208.10526	1.6
209.11774	10.3
210.12094	3.0
221.11763	3.0
225.11302	3.7
227.12744	2.6
228.63481	1.6
253.09186	3.7
289.07153	1.7
307.08054	4.5
376.13696	1.7
401.17947	4.2
539.24963	25.9
540.25250	2.7
647.26678	2.0
648.86688	1.5
678.64441	1.6
691.25751	100.0
691.34686	7.4
692.26050	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	691.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	5.4
63.33095	0.9
65.00191	1.9
67.01764	3.4
68.99657	1.3
69.03345	1.1
69.89250	2.2
69.89668	3.1
71.01262	7.0
72.99192	2.9
73.02843	1.4
79.01766	4.8
83.01257	1.7
85.02830	3.3
87.00742	3.2
89.02282	1.4
93.03357	2.4
95.01273	9.7
96.95913	2.6
97.02843	1.9
99.00769	1.4
101.02329	3.9
107.01266	9.4
107.44426	0.9
108.02048	3.8
109.02847	1.5
109.99995	1.0
111.00771	12.5
113.02319	2.0
119.06252	0.9
121.02831	2.2
122.03612	2.2
123.00772	43.6
123.04391	2.3
124.01562	4.3
125.02341	36.0
126.02715	1.6
127.00301	5.6
133.02853	1.0
134.03642	1.6
135.04416	16.4
136.98694	6.4
137.02359	2.6
139.00269	16.3
139.03905	1.9
140.01071	18.3
141.01817	6.0
145.02878	1.4
146.03667	1.2
147.04388	1.0
149.02376	4.8
149.06003	1.0
150.03154	9.9
151.00275	11.2
151.03894	2.0
153.01915	1.1
154.99704	1.2
161.02350	2.4
163.03893	1.2
164.04768	1.4
165.01851	0.9
165.05496	6.9
166.06323	1.5
166.99789	14.7
167.03352	1.5
167.07066	1.8
168.00560	31.1
169.01340	61.4
170.01620	3.0
173.04478	1.4
175.04012	1.9
177.04007	6.9
179.03426	11.4
180.04175	1.0
181.01341	1.4
181.08647	1.6
182.02090	1.6
183.02866	6.0
191.05548	3.8
193.04910	1.2
211.02444	16.2
225.03996	2.7
241.03508	1.2
253.62077	1.0
271.04501	7.6
273.00449	1.2
275.01965	1.2
285.06177	3.9
297.06055	2.0
299.91077	0.9
299.99109	1.3
300.99863	9.0
302.00381	1.3
313.05527	1.5
329.05191	3.9
329.12576	2.1
337.09308	1.7
436.01492	1.0
491.19058	1.7
493.13461	2.8
494.14304	35.5
495.14993	9.7
506.49136	1.0
508.15854	1.1
509.16406	5.0
517.13422	1.8
539.21143	1.2
549.16077	10.5
550.16339	1.7
567.16937	1.4
613.14606	1.1
643.20227	9.4
644.20862	2.2
655.20349	3.7
673.21362	24.2
674.21631	5.2
691.22424	100.0
692.22821	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	691.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	15.6
67.01752	2.3
69.78371	2.2
69.79546	6.2
69.79964	3.1
71.01266	11.9
72.99169	2.0
79.01791	3.2
81.18520	1.6
85.02837	3.3
89.02319	7.5
95.01254	10.6
97.02850	2.2
101.02331	6.1
101.85197	1.7
107.01268	5.5
109.02843	2.0
111.00781	4.7
113.02336	3.8
115.00287	1.8
119.03450	1.7
123.00773	43.8
124.01582	4.8
125.02351	29.9
126.02702	2.6
127.00234	2.2
135.04329	1.8
136.98697	2.7
137.02356	3.4
139.00287	12.5
140.01030	6.1
141.01831	5.0
145.02849	2.7
149.02365	2.2
150.03185	1.9
151.00282	6.6
151.03949	2.6
162.03159	7.4
163.03908	4.5
165.05481	2.0
166.99770	18.9
168.00536	13.4
169.01352	41.0
170.01651	2.2
177.05502	3.6
183.02936	6.2
194.99275	2.7
195.06624	2.1
241.05122	2.1
271.04742	3.2
285.04108	6.4
301.00015	5.3
302.07919	2.6
314.08014	2.8
317.06726	9.4
318.07425	7.6
331.08228	16.9
332.09018	60.1
333.09735	17.9
347.11276	8.0
357.12787	1.9
387.10898	11.7
481.15082	13.4
493.15128	26.1
494.15140	2.0
511.16110	50.2
512.01416	2.1
512.16449	7.1
539.21460	14.0
673.21338	4.2
691.22528	100.0
691.33936	5.2
692.22687	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	689.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63926	1.1
52.62304	1.2
56.72946	1.3
59.01249	6.2
61.98709	3.7
63.26314	1.3
71.01254	9.0
78.95790	2.8
83.04904	4.8
85.02841	2.0
89.02327	4.5
95.20471	1.4
98.19817	2.5
101.02357	3.5
113.02353	1.6
159.04813	1.3
161.98225	1.3
163.11224	4.0
165.12782	1.7
171.10196	4.3
183.13829	7.1
193.12335	1.8
201.11221	2.2
209.11775	97.8
210.12096	8.0
211.13347	100.0
212.13675	6.4
225.11282	2.8
227.12885	13.3
235.08286	3.5
243.15945	4.4
253.09314	8.5
257.84326	1.3
259.15558	2.5
291.19836	1.6
365.18146	1.3
445.20197	1.9
447.22318	5.1
495.21674	1.4
634.92792	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	690.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57414	4.7
111.00773	4.3
123.00819	4.8
125.02337	13.6
137.02335	4.9
163.00299	3.6
163.03835	4.7
164.03621	4.6
166.99722	3.8
169.01328	12.9
173.02380	3.4
177.01862	4.6
217.01390	5.9
229.01393	7.4
231.03091	4.0
245.00887	5.4
247.02571	5.1
257.00909	3.4
273.00360	9.1
275.01913	13.1
299.99069	5.3
300.99915	100.0
302.00067	10.0
312.99899	4.4
340.00989	9.4
463.05206	13.9
481.06659	4.8
546.48199	3.5
614.04883	3.3
632.07202	4.1
639.13971	3.4
672.08661	9.4
679.65436	3.6
690.08911	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	689.339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	6.5
61.98705	4.2
66.97369	1.6
69.03319	1.6
69.24797	16.3
71.01252	39.9
72.99193	1.5
73.02817	4.5
78.95773	7.8
79.67033	1.3
81.03347	2.8
83.04897	5.0
85.02831	2.9
89.02314	4.4
97.02798	1.4
97.06503	2.2
101.02334	4.4
109.06459	5.0
125.09616	2.1
127.11197	3.2
135.08051	2.0
152.99437	3.3
161.04482	1.4
163.11232	8.6
165.12692	2.7
165.94511	1.3
171.10179	34.9
172.10567	3.3
181.12241	3.5
185.11780	2.8
189.09122	1.7
189.84393	2.0
195.91353	1.4
197.11775	2.2
199.13307	1.7
201.11264	16.3
207.10197	21.5
209.11769	100.0
210.12144	5.4
211.13283	2.7
225.11302	27.5
227.12907	11.1
235.08186	2.3
243.12332	3.2
251.12943	1.7
253.09311	11.0
291.19540	1.8
299.14813	1.5
309.07498	1.5
347.95999	1.9
443.19034	1.9
461.20197	4.1
551.89203	1.7
653.31555	3.1
671.32837	2.9
689.33423	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	689.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68782	0.9
59.01245	4.8
61.47494	0.9
77.46342	0.9
78.95776	33.7
80.02530	1.1
81.03339	2.3
82.92040	1.0
83.04906	2.4
92.17878	1.0
96.96839	2.6
97.02851	3.3
109.06475	29.4
110.03598	1.2
115.06599	0.9
121.06467	1.7
125.09660	1.0
135.08115	1.9
136.05215	1.4
137.57448	0.9
142.02638	2.2
152.99490	48.6
163.11186	15.7
163.41422	0.9
168.90321	0.9
171.00551	4.7
179.10785	1.4
181.12273	5.6
207.10188	38.9
208.10564	3.1
209.11752	5.1
225.11256	26.5
226.11670	1.8
227.03218	5.2
227.12831	1.5
245.04253	2.0
253.21690	21.2
254.22060	1.6
255.23193	1.8
258.87354	1.1
279.23264	9.0
321.44946	0.9
361.10553	8.3
435.14349	6.2
435.74283	1.1
453.15302	100.0
454.15625	10.8
481.26471	0.9
623.17126	1.1
689.36523	29.8
690.37317	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	689.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.3
59.01254	8.2
61.85158	1.1
67.08941	1.0
69.62370	8.3
71.01253	10.2
71.04890	4.1
73.02821	3.0
74.47880	1.0
80.02545	1.0
83.01212	1.2
83.04903	5.4
85.02811	1.9
87.00739	1.9
89.02313	3.6
95.04904	2.4
97.02827	4.8
97.06460	2.5
98.20521	2.1
99.00760	19.4
101.02307	5.2
109.06479	2.3
110.03608	1.3
111.00724	1.2
111.08047	1.0
112.60772	1.0
113.02337	2.3
123.08021	2.8
125.02316	2.5
125.09616	8.4
142.02596	1.9
161.04460	1.9
161.09619	1.3
163.11203	17.1
165.12816	1.7
169.01317	3.0
171.10188	24.1
176.52466	1.1
181.12282	22.6
182.12537	1.9
185.11789	1.6
197.11749	2.1
199.13351	13.7
201.11232	5.2
207.10214	32.8
208.10583	1.2
209.11775	77.6
210.12085	4.2
225.11295	57.0
225.13612	2.0
226.11594	3.0
227.12871	10.1
235.08186	3.5
243.12372	26.3
244.12698	1.9
253.09203	7.5
291.19742	1.3
300.99817	1.5
317.15979	1.1
327.41983	1.1
461.20483	7.1
479.21356	17.3
653.32556	1.7
671.32300	7.0
672.33887	1.7
689.33929	100.0
690.34454	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	689.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74134	1.2
57.03316	3.4
59.01251	38.3
61.98692	6.8
66.67197	1.4
69.03342	1.9
70.63021	2.7
70.63401	2.8
71.01258	39.8
72.99175	3.4
73.02827	6.0
78.95735	2.5
81.03329	2.4
83.01260	2.7
83.04899	4.1
84.02028	1.5
85.02847	7.7
87.00750	6.0
88.64243	1.3
89.01821	1.8
89.02319	18.7
93.03337	1.2
95.01217	2.3
95.04906	2.0
96.95876	2.4
97.02827	3.2
97.06483	2.0
99.00748	4.4
101.02330	21.8
109.06463	6.9
111.04446	2.0
111.08034	10.4
113.02333	8.6
115.03902	2.4
116.31826	1.4
118.05838	1.3
119.03384	7.8
123.00769	3.7
125.02372	7.8
127.11095	1.5
143.03456	2.4
161.04437	4.1
163.11215	7.2
165.12773	4.6
167.10681	4.1
169.01385	3.9
169.12238	1.4
171.10168	22.4
177.12775	2.5
179.05495	4.8
179.10715	3.0
181.12347	3.5
183.13853	14.5
195.13840	4.9
197.11830	7.8
197.13348	1.3
198.12195	1.7
199.13225	1.5
201.11250	10.0
207.10190	16.7
208.10483	1.6
209.11775	66.1
210.12090	6.0
211.13365	20.9
212.13716	2.5
215.12820	2.0
221.06607	1.8
225.11278	17.6
227.12825	14.0
229.96396	1.3
235.08142	10.0
247.20694	2.1
253.09291	12.3
273.16864	2.7
287.07706	1.8
291.19653	100.0
292.20078	8.5
391.25186	1.9
397.13483	44.1
403.12256	7.2
415.14523	22.8
435.23624	1.7
445.13464	3.3
461.20349	3.2
585.20490	1.8
629.37109	1.8
651.39606	2.6
653.31232	3.2
671.32819	3.3
689.33398	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	689.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22447	0.7
51.90163	0.7
57.03308	1.3
58.00459	1.2
59.01258	7.0
70.13762	3.2
71.01251	44.7
71.04874	1.0
72.99173	0.8
73.02816	3.6
74.77104	0.8
78.95774	8.6
79.75212	0.8
80.02533	1.8
81.03320	2.0
83.01248	1.1
83.04905	5.7
84.02029	1.6
85.02816	2.2
87.00741	2.1
89.02302	3.3
95.01224	1.1
95.04879	1.3
96.96840	1.4
97.02830	2.7
97.06443	1.4
99.00759	2.0
101.02337	4.2
109.06484	6.0
113.02328	2.9
119.03376	0.9
121.06548	1.0
123.08006	0.9
125.09616	2.0
127.11136	1.4
127.52756	0.7
133.04915	0.8
135.08078	1.5
149.09586	0.9
152.99446	3.8
153.12682	1.0
154.23073	0.9
155.10663	1.4
161.04533	1.8
161.09610	0.7
163.11214	8.9
165.12776	2.4
171.10182	34.0
172.10451	1.7
181.12297	3.2
185.11713	1.8
189.09128	1.3
191.10765	1.4
197.11760	1.2
199.09660	1.0
199.13326	2.4
201.11252	19.5
207.10202	17.3
208.10515	1.0
209.11768	100.0
210.12085	6.0
211.13341	1.4
215.12834	1.6
223.13330	1.4
225.11266	28.7
226.11577	1.1
227.12831	11.0
228.13240	1.1
235.08160	3.9
243.12407	2.5
251.12889	3.0
253.09224	8.8
263.12753	1.0
282.27307	0.8
293.21259	1.3
354.73001	0.7
363.12262	1.6
443.19397	0.9
461.20255	4.0
479.21356	1.0
653.31573	2.7
654.31720	1.0
657.34070	3.2
671.32648	1.3
689.33905	9.0
690.34393	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	689.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44991	0.8
57.03327	1.5
59.01255	6.0
61.98722	1.1
63.27156	0.8
69.24226	9.1
71.01258	37.1
73.02813	2.9
79.52346	0.8
81.03333	1.3
83.01268	1.0
83.04920	5.7
83.05347	1.3
85.02836	3.5
86.45003	0.9
87.00754	1.9
89.02315	2.9
91.53953	0.8
95.04902	1.6
97.02856	2.0
98.20562	2.0
99.00789	1.3
101.02323	4.4
109.06487	4.4
111.04459	1.0
113.02339	2.5
117.56887	0.9
125.02369	1.1
125.05968	1.2
125.09602	2.4
127.11163	1.8
131.07808	0.9
135.08047	1.3
142.24167	0.9
155.10661	1.3
160.60030	0.9
161.04443	2.3
163.11195	6.7
165.12779	2.0
171.10185	35.0
172.10538	1.2
181.12242	3.3
183.13907	1.0
185.11716	1.6
191.10606	1.0
197.11801	2.2
199.13234	1.9
201.11269	18.8
207.10219	14.6
207.12157	1.5
209.11774	100.0
210.12029	5.5
211.13310	1.6
215.12936	1.4
217.96774	0.9
225.11299	28.3
226.11549	1.6
227.12856	9.4
235.08203	4.3
235.59329	0.9
243.12389	2.4
251.12932	1.3
253.09212	9.9
254.09474	1.2
295.10336	1.3
309.65274	0.9
417.23224	1.8
461.20404	4.8
464.05789	0.9
637.46802	0.9
653.31824	2.6
671.32983	2.3
689.33685	8.0
690.34418	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	689.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	2.2
57.03316	3.3
58.00465	2.3
59.01255	22.1
60.57581	1.5
69.03329	2.4
69.53320	3.2
69.53715	9.2
71.01255	23.9
72.99176	3.2
73.02818	4.3
81.03336	2.3
83.01256	3.8
83.04906	4.3
85.02827	14.3
87.00765	2.8
88.98673	1.8
89.02329	7.6
93.06970	3.2
94.27739	1.4
95.01252	5.1
95.04888	2.0
96.95899	3.2
97.02804	2.3
99.00743	3.0
101.02315	12.4
107.01275	3.9
107.04905	1.5
109.06467	7.0
110.06869	1.5
111.00760	1.7
111.08035	8.5
113.02337	12.6
118.64237	1.3
119.03394	1.4
121.02865	3.6
123.00767	7.8
124.01519	2.8
125.02343	15.0
125.06019	3.1
135.04367	2.4
137.05992	5.7
139.00244	2.8
139.03880	4.6
150.06761	1.7
151.00256	2.8
153.05411	2.6
155.07047	90.0
159.04404	1.7
163.00195	1.8
166.99774	2.5
168.00531	3.4
169.01343	20.2
172.05254	1.7
173.05948	1.9
187.07541	2.8
206.34753	1.5
209.11818	3.3
211.02441	4.7
253.05179	1.8
256.03668	2.4
266.47195	1.3
271.04697	1.5
295.06161	2.1
297.07230	1.4
298.08658	1.3
299.99002	6.1
300.02634	2.5
300.99866	11.2
301.03116	1.8
310.08588	2.1
311.09146	4.4
325.10873	4.5
326.07867	4.3
326.11581	3.2
327.08563	3.1
328.09332	2.5
329.10336	2.7
341.10260	13.7
343.11847	4.6
353.14325	1.9
354.14594	2.6
356.12839	8.9
359.11322	12.4
359.15121	2.2
371.15054	7.9
374.13736	16.6
389.16104	29.3
408.10294	1.6
515.20013	1.6
518.18158	1.4
527.28113	1.9
533.20258	100.0
534.20660	13.4
537.19897	9.9
538.20599	1.5
551.21313	50.4
552.21729	7.3
689.21112	2.7
689.33807	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	689.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.4
57.03325	2.5
58.00455	1.3
59.01254	23.4
61.98695	1.1
68.99680	1.7
69.03323	2.6
69.53975	10.4
71.01253	22.0
72.99175	2.2
73.02826	4.8
83.01250	2.8
83.04902	3.0
85.02831	11.4
87.00745	2.0
89.02330	8.0
93.03333	1.4
93.06967	3.4
95.01255	4.3
96.95885	2.0
101.02312	10.0
109.06521	6.0
111.00761	2.1
111.08063	8.7
113.02332	10.8
119.03399	2.8
121.02850	2.1
123.00780	6.4
124.01527	3.8
125.02339	16.2
125.05985	3.1
137.02264	1.6
137.05940	4.6
139.00240	2.2
139.03880	3.7
148.90576	1.4
151.00272	2.9
151.03976	1.3
153.05396	1.8
155.07051	96.5
156.07391	3.1
156.68988	1.1
159.04402	1.4
163.11205	1.3
166.99770	1.4
167.91095	1.2
168.00513	1.8
169.01372	13.6
172.05185	1.8
177.01909	1.5
179.03358	1.2
187.07500	1.6
189.67244	1.4
191.06908	1.7
193.01286	1.7
211.02385	2.2
279.06570	2.0
283.06039	1.8
295.06174	2.9
297.07364	1.3
299.99091	4.2
300.02707	2.7
300.99945	10.0
301.03195	2.4
311.09232	3.4
313.11139	1.6
316.09506	1.5
325.10657	4.1
326.07944	4.7
326.11563	2.0
329.10223	2.0
341.10199	11.1
343.11813	4.1
344.09021	1.6
353.14169	2.8
354.14288	1.5
356.12473	6.1
359.11371	9.0
371.10995	2.2
371.15140	8.5
374.13705	17.0
375.14374	1.4
389.16086	27.0
390.16635	1.5
483.18668	1.5
492.16400	1.8
533.20313	100.0
534.20618	11.3
537.19757	6.6
551.21362	54.5
552.21692	6.8
689.20636	1.8
689.33502	10.2
690.33997	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	689.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71476	1.3
58.03677	1.1
59.01253	3.5
71.01250	4.5
71.57559	2.3
80.44451	1.2
88.98663	1.7
89.02345	1.4
93.03315	1.7
95.01264	2.1
96.95872	2.6
101.02339	2.0
107.01277	8.3
109.02744	1.6
111.00795	1.8
123.00760	6.3
125.02343	40.5
139.00227	2.7
151.00293	6.5
159.04245	1.2
167.03342	1.4
168.00568	3.2
168.67239	1.2
169.01344	67.8
193.01424	1.3
193.09460	1.4
211.02380	3.0
227.03500	8.6
229.05133	2.3
255.02974	16.9
256.03494	2.0
257.04663	1.7
269.99240	1.3
271.04504	1.9
284.03284	23.1
285.04031	20.4
286.04391	2.2
297.78778	1.3
300.99893	3.5
302.55652	1.8
313.05728	11.8
447.09058	2.1
599.10474	100.0
600.10925	14.6
689.20740	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	689.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	4.0
60.31908	0.6
63.02269	1.2
69.03367	0.8
71.01254	2.7
71.57607	1.1
73.31894	0.7
76.31030	0.6
83.01247	1.8
85.02849	1.3
88.98673	1.6
89.02325	1.1
89.84007	0.7
92.20689	0.7
93.03332	1.2
95.01271	1.9
96.95872	2.1
97.02867	0.7
101.02338	2.1
107.01281	6.1
109.02859	1.1
111.00779	2.9
113.02333	1.3
119.03346	0.8
123.00784	10.6
123.04473	0.8
124.01594	1.1
125.02343	18.2
127.00295	0.9
136.98680	1.3
137.02353	1.1
139.00287	3.9
140.01059	2.3
141.01837	1.3
143.04962	0.7
151.00261	11.6
163.00206	1.1
166.99779	1.4
168.00542	4.8
169.01349	26.5
169.02800	1.5
170.01631	1.3
177.23637	0.8
185.06032	1.6
187.03995	1.6
205.12361	1.3
211.02368	5.1
213.05501	1.2
227.03453	0.7
229.05005	4.2
239.03510	0.8
257.04605	3.3
271.04602	8.2
272.05023	0.7
275.02036	0.9
285.04047	68.1
286.04419	5.6
286.09885	0.7
300.99896	3.3
313.05646	11.2
314.06110	1.4
331.06799	1.2
537.19781	100.0
538.20044	12.7
599.10468	3.6
600.10358	1.0
679.77960	0.8
689.21619	1.5
689.33807	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	689.0995
Annotation	Kaempferol 3-(6''-sulfatogetiobioside)
Peak:m/z	Relative Intensity
59.01241	1.5
60.89217	0.5
60.99174	0.6
63.02255	1.7
65.00194	1.2
71.01241	1.4
71.19513	0.5
71.57050	0.5
71.57428	0.7
83.01261	0.9
85.02817	0.6
88.98686	2.6
90.53230	0.5
92.28323	0.5
93.03334	1.7
95.01260	1.6
96.95878	0.8
99.07606	0.5
101.02334	0.9
107.01279	4.5
109.02817	0.8
111.00794	1.5
113.02324	0.6
117.03365	0.5
123.00775	4.4
124.01563	0.8
125.02353	6.5
126.02605	0.6
127.00253	0.7
130.98917	0.6
137.02359	0.6
139.00279	1.6
140.01074	0.8
141.01891	0.9
143.04886	0.8
151.00273	8.4
153.01755	0.5
157.06502	0.7
159.04402	1.1
163.00267	1.7
165.01883	0.5
168.00543	2.1
169.01350	11.7
170.01817	0.6
185.05954	1.9
187.03952	2.1
189.05502	0.6
195.04565	0.5
196.05107	0.5
197.05930	0.9
211.02380	1.6
211.04053	1.1
213.05577	1.5
227.03479	1.7
229.05042	9.2
231.02570	0.5
239.03423	1.6
240.04399	0.7
241.05043	0.8
255.02831	0.8
257.04510	5.1
271.04507	2.9
275.01770	0.9
281.50192	0.5
285.04047	100.0
286.04407	8.0
300.99771	1.7
313.05664	15.9
314.06262	1.1
384.13162	0.6
526.31763	0.5
537.19818	29.7
538.19958	2.9
599.10382	5.6
600.11060	0.7
689.21680	1.1
689.33740	1.8
698.74902	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
62.20591	1.5
64.41827	1.6
65.99706	3.5
69.40308	16.7
69.76108	1.8
98.20618	3.6
101.13122	1.7
109.02798	2.2
111.00768	12.4
111.34520	1.5
111.86968	1.6
112.72496	1.5
118.70470	1.7
123.00776	4.3
125.02359	7.1
131.90460	2.1
136.00368	2.3
137.02310	4.0
139.00229	2.8
145.02901	3.5
147.04381	2.8
149.02434	1.9
153.01836	3.0
161.02332	6.5
162.01848	3.8
163.00256	5.9
163.03893	3.9
165.01970	3.2
166.99716	3.1
169.01370	8.2
173.02394	6.1
175.03957	3.2
177.01947	3.7
178.99799	6.1
184.00125	4.8
185.02383	4.0
189.01898	6.3
191.03500	3.7
201.01924	4.4
203.03551	3.5
205.01433	4.6
206.00879	15.9
208.02423	2.1
209.00842	4.1
214.99840	2.8
216.00671	3.1
217.01471	6.6
229.01395	9.7
230.99467	2.1
231.02928	2.1
233.00821	2.6
240.02927	3.7
242.99217	2.6
244.00209	2.6
245.00792	10.5
247.02467	5.9
257.00839	6.9
259.02594	3.7
261.00421	4.5
263.02066	3.0
269.00790	2.3
270.98828	4.1
273.00455	8.6
274.01093	3.4
275.01981	12.0
283.99463	2.3
284.02267	3.2
285.00070	2.9
286.98422	2.6
288.99857	3.7
291.01477	2.8
295.61206	1.8
298.98380	5.4
299.99152	10.3
300.99902	100.0
302.00281	11.0
310.00101	5.5
312.01535	2.8
312.99875	2.9
315.98563	21.2
316.99344	49.2
324.01566	2.4
330.02405	2.5
337.99356	4.6
340.00879	5.7
356.00568	4.2
378.86023	2.4
453.06985	4.2
463.05002	14.1
481.06290	5.8
502.06198	5.0
520.07196	5.0
621.07617	3.0
642.06927	4.9
648.06097	4.5
670.07312	4.7
688.08075	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	687.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66744	0.7
52.98967	0.7
59.01250	14.6
61.98681	0.7
64.85662	0.7
68.01423	0.8
71.01253	3.4
71.36430	0.7
71.36784	1.9
72.99189	0.9
78.95771	1.6
81.89173	0.7
82.58849	0.6
83.01277	1.0
83.04864	1.3
85.02802	1.2
89.02303	2.9
96.91183	0.7
101.02328	3.3
104.29167	0.8
109.06478	0.9
113.02341	1.7
140.54097	0.8
153.12764	1.3
161.04475	1.1
165.12730	0.8
167.29387	0.7
169.01317	0.9
169.12244	4.9
171.10234	4.1
179.10640	1.4
183.13795	5.6
185.11601	0.8
193.12300	1.3
196.08432	0.9
197.11758	94.1
198.12051	3.8
207.10181	1.9
209.11754	10.0
210.12091	1.3
211.13332	100.0
212.13657	4.7
218.26614	0.9
223.09666	2.6
225.11215	1.2
227.12804	1.4
235.08223	4.2
253.09302	7.5
300.99677	0.9
323.71454	0.7
328.88144	0.9
368.56549	0.9
395.46121	0.8
429.21042	1.0
433.20807	6.8
447.22397	5.9
461.71469	0.8
609.32794	0.9
611.21600	0.8
687.32489	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	687.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.9
57.41539	0.6
59.01247	10.2
61.98704	1.3
62.16878	0.6
66.49043	0.6
69.03321	1.4
71.01252	8.9
73.02827	1.0
78.95795	1.2
80.02576	1.1
81.03337	2.0
82.17040	0.7
83.01285	1.5
83.04896	3.1
85.02799	1.7
87.00748	2.2
89.02319	3.7
95.01320	0.8
95.04893	0.8
96.95859	0.8
97.02828	5.0
97.06530	1.0
98.20656	1.3
99.00754	1.8
101.02325	6.3
109.06474	21.3
113.02349	3.7
119.03393	2.0
121.06448	1.5
125.02306	1.5
125.09609	1.4
127.61775	0.6
135.08083	3.7
136.05177	1.4
141.01749	0.7
142.02603	1.5
145.04977	1.2
146.04004	0.7
149.47491	0.8
159.10188	2.5
161.04428	2.4
161.09587	1.6
163.11203	12.4
165.12746	1.9
169.12224	1.5
171.10197	3.2
179.05505	0.8
179.10823	1.5
181.12248	2.8
183.13837	8.4
185.11623	0.8
189.09154	2.0
192.24379	0.6
193.12263	2.6
197.11780	1.5
207.10202	55.3
208.10527	2.1
209.11781	10.2
211.13338	100.0
212.13635	4.3
213.11272	0.7
223.09749	1.7
225.11275	26.7
226.11656	2.0
227.12866	2.1
229.40247	1.0
235.08150	4.0
241.14505	1.0
253.09290	8.0
275.16580	0.8
291.19516	0.8
299.14880	1.1
339.23291	1.0
355.22699	0.8
373.23889	4.4
375.25336	1.1
383.22375	4.2
391.24857	3.2
401.23270	10.2
402.23633	1.1
419.24460	3.7
443.19272	3.1
447.22427	3.9
461.20279	7.7
493.28845	0.7
539.62122	0.7
603.73242	0.7
609.32703	2.9
619.31403	1.4
637.32245	18.5
637.42017	1.2
638.32623	3.7
655.33331	26.2
656.33734	4.7
687.32330	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	687.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.0
55.74878	0.8
59.01249	8.8
61.98695	0.9
64.14792	0.9
69.03328	1.5
71.01251	9.6
71.34918	1.8
72.99174	1.0
73.02827	1.9
78.95768	0.9
80.02566	1.5
81.03320	2.2
83.01258	1.5
83.04895	8.2
84.02040	1.0
85.02801	3.1
87.00723	2.1
89.02308	5.7
95.04904	1.4
96.95887	1.0
97.02850	1.1
101.02310	6.3
109.06470	1.8
111.04408	0.9
111.08052	0.7
111.95570	1.0
113.02328	3.8
113.15763	0.9
116.92723	2.7
117.59043	0.7
119.03365	1.5
121.02838	0.9
123.00703	0.9
124.01591	0.9
125.02317	3.3
125.09589	1.8
135.08044	1.0
151.11150	1.8
153.12730	1.2
158.61604	0.9
161.04471	1.9
163.11208	5.9
165.12730	3.4
169.01341	4.1
169.12257	43.1
170.12572	1.7
171.10149	5.1
179.10686	1.0
191.10701	1.1
197.11761	57.7
198.12048	2.9
199.13309	0.9
201.11290	1.1
207.10197	2.1
209.11766	89.0
210.12074	4.4
215.12923	1.1
223.09711	1.9
225.11383	4.3
226.11610	0.8
227.12820	12.8
235.08163	2.5
241.10878	1.3
253.09233	9.2
279.50562	0.8
300.99802	1.3
315.95856	0.8
348.21762	1.0
358.61664	0.9
409.11691	0.9
424.46664	0.9
459.18826	1.2
461.19943	0.9
551.18097	0.9
669.30835	1.5
687.32263	100.0
688.32550	18.1
693.52094	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.9
59.01252	15.5
59.59346	1.3
61.98705	6.8
66.81985	1.2
68.99690	1.8
69.03339	2.4
69.46664	8.6
69.47087	2.8
71.01254	13.5
72.99187	1.9
73.02838	1.8
74.02100	1.3
78.95788	1.9
80.02515	2.1
81.03325	3.1
83.01242	3.0
83.04919	7.4
84.02027	2.0
85.02810	4.7
87.00742	3.0
89.02325	6.5
89.37028	1.3
95.01276	2.4
95.04875	2.1
96.14556	1.1
96.95887	3.1
97.06442	2.3
101.02342	7.7
107.01265	1.7
109.06490	2.6
111.04355	1.5
113.02322	4.4
119.03380	2.1
121.02855	2.1
123.00752	3.4
123.08047	1.2
125.02348	12.2
125.09607	2.7
126.02599	1.5
127.27016	1.4
131.03276	1.3
135.08051	1.6
139.00223	1.7
151.11180	2.4
153.12733	1.5
155.06931	1.2
161.04468	3.1
161.09581	1.5
163.11195	6.4
165.12750	4.0
168.00537	1.9
169.01375	14.4
169.12270	33.1
170.12630	1.7
171.10190	17.0
179.10710	2.8
181.05067	1.3
191.10608	1.9
194.62482	1.2
195.10040	1.4
197.11771	70.7
198.12082	4.1
205.08530	2.3
207.10196	2.3
209.11769	100.0
210.12062	4.8
211.02376	1.5
213.11156	1.8
223.09717	8.8
225.11244	2.5
227.12845	12.0
228.13327	1.4
235.08105	2.6
241.10811	2.4
253.09242	10.0
301.00024	2.2
356.25604	1.4
371.24280	1.9
373.25775	3.0
414.35962	1.4
459.18985	1.8
461.19821	1.5
505.12396	1.3
525.26880	5.5
582.66913	1.6
665.61804	1.7
669.30493	3.7
672.40607	1.2
687.32257	98.0
688.32690	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	687.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	0.5
55.30603	0.5
55.90443	0.6
55.94859	0.4
57.03311	1.2
58.00458	0.5
59.01252	6.0
61.98699	0.5
67.73454	0.5
69.03330	5.7
71.01247	7.0
71.04889	2.5
71.07280	1.0
73.02817	2.3
73.77625	0.5
80.02550	1.3
81.03327	1.6
81.17680	0.5
83.01257	1.2
83.04890	5.7
84.02048	2.1
85.02836	1.6
87.00763	0.9
89.02319	2.6
95.04899	1.4
97.06488	1.2
99.00770	0.9
101.02322	5.1
109.06477	1.4
111.04409	0.7
113.02351	2.2
119.03375	0.9
123.08052	1.4
125.02297	0.8
125.05966	1.1
125.09621	3.6
135.08086	0.9
137.09563	0.6
149.09561	0.6
149.27931	0.5
151.07571	0.6
151.11179	2.7
153.12733	1.0
161.04425	1.4
161.09608	4.8
163.11195	6.2
165.12743	3.2
169.01294	0.7
171.10208	2.0
179.10704	10.7
180.11086	0.6
181.12265	1.4
183.10153	0.5
185.11752	0.6
191.10669	1.8
197.11763	54.8
197.57027	0.5
198.12131	3.0
199.13339	0.5
207.10162	0.7
209.11765	82.2
210.12083	4.9
222.11655	0.5
223.09650	1.9
225.11186	1.2
227.12869	9.3
235.08191	0.9
241.10811	3.8
253.09242	3.7
389.22675	0.6
459.18741	1.9
477.19775	3.8
503.19254	1.1
525.26581	0.8
572.42584	0.5
669.31165	1.6
687.32288	100.0
688.32599	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	687.324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52153	0.5
55.05453	0.5
55.91143	0.6
57.03321	1.5
58.00465	0.7
59.00987	0.7
59.01250	6.4
61.98699	1.1
67.87406	0.5
68.99684	4.0
69.03331	0.8
69.07576	0.5
69.45506	1.2
69.45908	4.2
71.01251	11.9
71.04922	0.7
72.99169	1.1
73.02810	2.1
80.02539	1.9
81.03319	2.1
83.01280	1.2
83.04897	7.7
84.02034	1.3
85.02822	2.3
87.00745	2.4
89.01828	0.5
89.02301	3.0
95.01280	0.7
95.04910	1.1
96.61030	0.5
97.02843	1.6
97.06485	1.5
98.20554	0.9
101.02319	3.9
101.60732	0.5
107.04877	0.6
109.06497	2.6
110.03619	1.6
111.00777	0.8
111.04411	6.5
111.08051	0.6
113.02301	4.0
119.03423	0.9
122.03597	0.6
123.04430	1.4
123.08016	1.2
125.02322	1.5
125.05924	0.6
125.09605	3.6
127.11148	0.8
135.08035	1.6
137.09610	0.7
151.11206	2.2
153.09204	0.8
161.04475	2.1
161.09616	3.7
163.11214	4.5
165.09131	0.5
165.12772	1.9
169.01358	0.6
169.12233	0.7
171.10187	41.0
172.10547	1.6
177.09076	1.5
179.10681	5.0
180.86293	0.6
181.08598	0.7
181.12169	0.9
185.11769	2.4
187.09702	1.2
191.10649	0.9
195.10159	0.6
195.13980	0.6
197.11798	3.6
199.09700	1.1
201.11230	0.9
205.08649	9.9
206.08983	0.7
207.10178	3.4
209.11774	100.0
210.12106	8.0
211.13522	2.8
213.11237	3.9
221.11807	1.8
222.12117	1.3
223.09718	22.5
223.13222	1.4
224.10016	1.4
225.11237	3.6
227.12856	13.3
228.13261	1.3
235.08136	3.6
239.12898	1.7
240.13345	0.7
241.10677	3.2
251.13089	0.7
253.09270	9.2
254.09596	1.0
297.13156	0.6
373.25714	0.6
397.19785	0.7
407.19244	1.5
415.20975	1.3
420.19632	0.5
424.22714	0.6
433.22720	0.7
441.17407	1.1
445.20789	1.1
459.18784	3.9
465.07632	0.6
477.19632	1.5
550.55872	0.7
631.00238	0.6
633.28937	1.0
637.32361	1.0
643.29688	1.0
651.30292	3.7
669.31293	5.6
670.32001	0.9
687.32288	11.9
688.32520	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77362	1.0
57.03311	1.6
59.01255	9.6
59.33540	1.0
61.98692	1.0
68.99692	4.2
69.03333	1.4
69.34073	7.2
69.34480	2.3
71.01254	16.5
72.99174	2.5
73.02821	2.8
78.95772	1.6
81.03304	2.2
81.58233	1.0
83.01272	2.1
83.04897	6.5
85.02834	4.8
87.00747	2.0
89.02319	4.6
94.52651	1.0
95.01256	1.4
95.04911	1.7
96.00365	0.9
96.95894	2.3
97.02816	2.8
97.06473	2.6
99.00745	2.1
101.02325	6.8
109.02872	1.3
109.06488	5.4
110.03638	2.8
111.04407	6.1
113.02314	5.3
121.06451	1.1
123.08068	1.8
124.77158	1.0
125.02317	2.4
125.05992	2.0
125.09608	5.0
127.11171	1.1
135.08032	2.2
145.04977	1.2
149.09668	1.4
151.11197	2.2
153.09137	2.2
155.10547	1.1
161.04460	1.6
161.09676	5.4
163.11212	7.9
165.12733	2.7
167.10745	1.1
169.01312	2.3
169.12250	1.5
171.10188	50.2
172.10548	2.4
176.73605	1.2
177.09137	2.9
179.10677	6.8
181.12303	2.5
185.11766	3.0
187.09576	1.1
191.10724	1.2
195.10358	2.4
197.11751	8.3
199.13350	1.4
201.11275	5.3
205.08649	12.5
207.10225	12.0
209.11771	100.0
210.12103	5.7
211.13379	2.9
213.11237	5.0
217.12343	1.3
223.07579	1.5
223.09712	27.2
224.10046	2.1
225.11299	11.6
226.11710	1.4
227.12863	13.3
234.50609	1.2
235.08188	3.8
241.10793	3.1
243.12456	1.2
253.09241	10.8
276.36304	1.1
373.26035	4.2
374.26172	2.3
397.20081	1.1
407.19067	2.0
415.21399	1.2
422.73044	1.1
441.17783	1.6
445.20465	1.8
459.18845	5.8
461.20267	2.3
477.20053	2.9
633.29279	1.6
651.29901	4.9
669.31152	9.2
670.30865	1.5
687.32129	22.4
688.32861	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	687.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92311	1.2
57.03308	1.3
59.01250	10.3
65.00195	1.1
65.94782	1.2
69.03323	1.9
69.40414	3.4
69.40832	7.8
71.01265	6.2
72.99149	1.4
73.02813	2.2
74.20481	1.1
76.73108	1.1
79.01759	3.0
83.01244	1.6
83.04881	1.5
85.02792	2.2
87.00703	1.3
88.98646	1.2
89.02298	4.9
93.03315	3.6
95.01256	3.4
96.95869	3.4
97.06464	1.2
101.02290	4.0
107.01273	12.9
109.02815	5.3
111.00690	2.2
113.02317	3.4
116.92719	1.8
119.03401	1.4
121.02856	7.6
122.03621	13.9
122.12363	1.2
122.64659	1.4
122.99920	1.6
123.00771	22.6
123.04358	3.5
124.01497	1.5
125.02338	44.3
126.02700	1.5
130.04553	1.2
133.02797	1.7
135.04385	1.5
137.02338	10.0
139.00275	7.5
139.03848	1.9
140.01033	1.7
141.01776	3.2
148.74286	1.3
149.02348	35.4
150.03134	79.7
150.06746	3.2
151.00284	14.9
151.03772	3.8
153.01828	1.6
159.04289	1.4
161.04436	1.5
162.06691	1.3
164.04662	5.5
165.01770	2.4
165.05487	89.3
165.98924	1.3
166.02658	10.1
166.05838	4.0
166.99779	2.2
167.03471	2.6
168.00546	5.6
169.01343	99.1
170.01657	3.3
171.10229	1.8
177.01735	2.4
179.03386	1.6
180.04192	5.5
181.05016	14.9
181.12123	1.9
185.11720	2.3
195.06566	52.0
196.06943	2.2
201.11160	1.2
205.04970	2.2
209.11784	8.3
211.02394	5.1
213.74165	1.3
215.12814	4.2
220.07457	1.5
223.09859	1.4
229.01311	2.9
229.14372	5.3
241.10677	1.4
253.09326	1.2
256.07297	1.9
257.00882	4.0
271.02393	2.6
271.09747	4.6
274.01178	2.5
275.01990	33.3
276.02237	1.3
299.99323	1.7
300.02634	3.9
300.99817	3.7
301.03479	12.7
313.05646	1.9
313.23340	1.3
343.24823	1.7
355.24857	11.2
356.25455	1.3
373.25970	17.3
374.26035	1.5
375.27542	6.5
385.15219	1.4
403.13831	1.3
417.15530	13.2
418.15985	2.5
461.14725	3.4
477.17523	2.6
491.19235	14.2
492.19531	1.6
525.26886	2.8
535.16254	1.4
536.16113	1.3
565.12299	2.4
565.20789	41.2
566.21112	7.0
639.24536	20.5
640.24658	2.9
687.32111	100.0
688.32556	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	685.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	0.6
57.03323	1.3
59.01255	6.1
61.98682	1.3
63.23656	0.4
66.74364	0.4
66.82739	0.4
67.01743	0.7
69.03328	0.9
71.01259	5.0
73.02819	0.9
74.82076	0.4
80.02547	1.8
81.03337	2.9
83.01248	1.1
83.04897	8.2
84.02042	1.7
85.02826	7.4
87.00732	1.6
88.98710	0.5
89.02338	2.5
93.03327	0.9
95.01244	0.5
95.04905	1.2
97.02821	1.9
97.06458	0.7
98.20647	1.0
99.00782	0.7
99.13419	0.4
101.02327	3.4
107.04897	0.8
109.06451	2.8
110.03599	0.8
111.04391	0.6
112.20339	0.5
113.02345	2.7
115.82954	0.6
119.03341	0.9
121.02852	0.6
123.00777	0.9
123.04374	1.2
123.08075	0.9
125.02338	2.2
125.09588	0.6
130.23726	0.4
136.05212	0.7
142.02647	0.9
149.09557	0.6
161.04480	1.7
163.11203	4.3
164.04756	0.7
165.12749	2.5
169.01334	2.3
171.10168	9.3
175.11221	0.9
177.12781	2.6
181.12326	0.8
185.11742	0.9
191.10654	1.2
193.12291	0.8
195.13850	1.8
207.10126	1.6
209.11766	100.0
210.12125	5.7
221.11777	33.0
222.12068	2.5
223.13370	2.4
224.13742	0.7
225.11266	1.1
227.12834	11.0
233.11993	0.6
235.08205	2.1
239.12854	21.6
240.13167	1.9
249.11383	0.7
249.14931	0.7
253.09239	7.3
259.13394	1.5
277.14548	3.1
294.27078	0.5
300.99884	1.0
315.52954	0.6
369.24277	0.6
371.24185	0.9
403.24811	0.7
413.23422	2.2
431.24152	3.3
449.25110	0.5
457.20880	1.2
474.12543	0.5
475.21814	3.4
476.22055	0.7
495.22763	0.5
511.41162	0.5
523.33124	0.6
591.94934	0.6
647.12933	0.5
649.32458	2.7
650.32990	0.5
667.33441	3.4
668.33112	1.0
685.34546	5.3
686.34180	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	3.0
59.01249	20.4
61.67645	2.4
61.98685	9.1
66.01503	2.4
69.03307	3.0
71.01255	100.0
71.56918	3.5
73.02820	6.9
83.04917	3.8
85.02817	7.5
85.75755	2.0
87.00735	5.3
89.02324	9.1
95.04889	3.3
96.95888	4.0
101.02323	9.6
109.06487	4.4
113.02326	7.9
119.03371	3.3
123.00774	3.3
123.04398	2.4
125.02324	12.1
125.09663	3.8
135.08012	2.5
163.11212	6.7
165.12727	2.5
167.10612	4.9
169.01311	8.9
171.10173	28.2
177.12773	5.3
179.14238	3.3
181.12283	2.4
183.13809	17.4
195.13826	26.6
197.11740	4.7
201.11284	21.7
205.12236	8.5
207.10182	13.5
209.11765	31.1
211.13287	11.6
215.12599	3.0
219.13792	3.2
221.11809	12.6
223.13354	72.0
224.13640	2.7
225.11259	23.2
227.12827	6.0
235.08154	7.1
237.14905	4.0
239.11108	2.2
239.12903	22.1
240.13374	2.2
247.13306	6.5
253.09267	16.1
265.14542	3.9
300.99814	5.3
315.02353	7.6
315.52786	7.0
316.02985	2.8
431.24072	4.0
459.22202	4.1
475.22095	3.5
641.35437	4.0
649.40234	4.1
667.33203	5.6
685.35266	40.3
686.35321	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	685.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26671	0.5
55.01774	0.5
57.03351	1.1
58.00474	2.9
59.01253	100.0
60.01591	0.8
70.91280	1.3
71.01255	50.7
72.99189	3.9
73.02847	1.2
76.24743	0.5
83.01293	1.8
85.02825	8.0
87.00763	2.3
89.02320	62.3
90.86618	0.6
95.01280	3.0
96.95900	0.7
101.02325	21.7
113.02334	20.0
119.03393	23.6
120.03671	0.6
125.02345	1.4
125.97697	0.5
131.03404	3.0
141.62054	0.6
143.03397	4.0
149.04448	2.8
161.04457	4.6
161.05585	0.6
169.01372	1.8
179.05539	12.4
179.06970	1.1
183.42696	0.5
300.99811	0.8
336.25070	0.5
341.10361	1.2
356.12878	0.6
362.70642	0.6
371.15384	0.8
398.79221	0.6
576.94739	0.7
595.74396	0.7
655.44849	0.7
661.31421	0.6
686.25500	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	683.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24708	0.5
52.68689	0.6
57.03138	0.4
57.03326	4.3
59.01251	4.5
62.01291	0.5
66.43093	0.5
69.03320	0.9
71.01257	4.5
73.02834	0.9
77.64099	0.5
78.95782	0.8
80.02544	0.8
85.02821	1.5
87.00763	1.8
89.02325	1.3
95.01222	0.6
95.04905	2.1
97.06475	17.3
98.06829	0.5
98.19827	1.2
99.00777	0.7
100.47419	0.5
101.02326	5.7
111.04478	0.5
113.02364	2.6
119.03424	0.6
123.08059	10.1
125.09618	100.0
126.09965	3.0
126.10797	0.6
141.85829	0.6
143.10680	1.0
145.04950	1.4
161.04425	1.1
169.08542	2.5
179.05406	0.5
187.09700	41.4
188.10010	1.6
229.29187	0.7
235.08267	3.9
253.09285	3.3
277.21725	50.7
278.22098	4.6
279.90912	0.6
405.17664	7.1
406.17752	0.8
423.18692	8.4
424.19257	0.9
481.14252	0.7
521.34509	0.7
683.40082	95.6
684.40485	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	683.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	0.7
57.03312	0.8
59.01244	4.7
61.98690	1.3
67.01751	1.6
68.03562	0.4
69.03304	1.0
71.01253	4.6
71.57445	0.5
72.99168	1.2
73.02810	0.8
79.01765	1.6
83.01249	1.2
85.02813	2.2
87.00761	1.2
89.02296	1.4
89.69009	0.3
91.02653	0.4
95.01274	2.9
96.36594	0.4
96.95862	0.9
97.02820	1.0
97.60577	0.4
99.00714	0.9
101.02324	3.2
107.01276	5.7
111.00790	2.9
113.02320	1.8
121.02845	0.5
123.00774	18.6
124.01568	1.2
125.02335	21.5
126.02642	0.8
127.00250	0.7
133.53304	0.4
136.98648	1.7
139.00264	5.0
140.01050	4.5
141.01865	2.8
150.99147	0.6
151.00284	9.5
151.03873	0.4
153.01807	0.9
154.99843	0.7
161.04460	0.5
162.99132	0.5
163.03944	0.6
167.14342	0.7
168.00522	3.6
169.01337	22.5
170.01704	0.6
179.03358	0.9
209.11746	0.8
217.20901	0.4
276.70740	0.5
313.05621	0.9
369.26547	1.1
372.62604	0.4
513.30573	0.5
531.31647	4.0
573.34686	0.5
670.75500	0.5
683.32758	100.0
684.33130	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	683.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52466	15.5
58.07969	14.8
59.01242	17.5
71.57324	19.8
78.44881	18.6
120.67636	15.7
121.10062	100.0
125.02373	26.8
147.76134	16.6
155.07016	39.6
165.09135	47.9
169.01337	20.7
239.16470	19.9
244.41942	18.4
253.43427	16.2
263.20142	21.5
277.21735	43.0
485.34174	16.8
651.54150	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	683.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	4.0
59.01250	5.6
59.74621	0.4
62.45756	0.4
68.14552	0.4
69.03330	0.5
69.09686	0.5
69.58762	0.5
71.01251	5.2
71.04877	0.5
83.04904	1.0
85.02847	1.2
87.00738	0.7
89.02317	3.9
95.04914	1.6
97.06469	12.8
99.00780	0.5
100.68835	0.4
101.02334	4.4
106.20785	0.5
113.02344	1.6
119.03397	1.1
123.08058	6.4
125.09617	100.0
126.09971	4.3
131.03415	0.5
143.10670	1.3
161.04454	1.0
169.08630	1.8
179.05489	1.1
187.09686	70.5
188.10051	3.3
211.09644	0.8
229.67355	0.6
253.09344	2.3
261.13507	1.0
277.21719	15.6
278.22031	1.2
405.17670	6.1
406.18124	0.5
423.18732	20.8
424.19067	2.1
530.17499	0.6
620.15692	0.5
683.40106	79.0
684.40424	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	683.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61284	1.3
56.76411	1.3
57.03323	2.5
57.79427	1.3
58.00465	4.0
59.01253	100.0
69.37846	7.1
69.38275	7.1
71.01256	68.6
71.95783	1.3
72.99193	2.5
73.02843	1.9
76.81901	1.2
83.01279	2.1
83.06254	1.1
85.02811	10.6
87.00742	2.3
87.29356	1.6
89.02322	76.5
89.38397	1.4
95.01251	5.9
98.20525	2.6
101.02326	30.9
109.29228	1.6
112.98926	1.5
113.02331	21.4
119.03390	20.4
131.03397	4.2
143.03366	4.2
161.04463	5.3
179.05547	21.8
290.15659	1.3
298.26340	1.7
341.10889	92.5
342.11218	4.3
466.37103	1.4
508.72806	1.6
547.84613	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	683.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79458	0.9
57.17976	0.9
58.00471	1.8
59.00951	2.4
59.01253	48.9
71.01259	41.9
71.56759	2.1
71.57117	1.1
72.99188	3.1
73.02827	1.2
79.22298	0.9
83.01244	2.0
85.02818	4.3
87.00753	2.6
89.02319	51.4
94.64944	1.2
95.01272	2.0
101.02325	20.8
102.14996	0.9
113.02324	16.3
119.03397	17.0
125.02341	2.4
131.03412	1.5
143.03421	3.8
161.04466	6.9
169.01288	1.3
179.05518	23.4
255.41104	0.9
260.38177	1.2
341.10889	100.0
342.11188	7.0
351.03552	1.4
401.13602	1.0
522.59155	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87378	1.0
68.78316	1.1
69.03338	2.1
71.01266	1.2
95.01295	1.4
97.02820	3.1
123.00782	1.4
123.60141	1.1
125.02343	76.7
126.02670	1.9
137.02347	1.7
147.04456	1.1
159.04358	2.5
161.02266	1.6
161.05875	1.3
163.00253	1.3
163.03951	2.6
166.99684	1.7
168.00577	2.4
169.01341	100.0
170.01733	3.9
175.03929	4.5
177.01855	1.5
177.05441	1.9
182.99190	1.2
187.03882	1.7
189.01888	2.2
191.03468	3.6
193.01341	2.8
203.03412	10.4
205.05019	7.2
207.02740	1.5
213.01932	1.7
219.02898	2.2
221.04549	2.0
229.01352	1.5
229.24207	1.3
231.02922	13.6
232.03378	1.3
247.02342	5.6
251.01974	2.1
275.01965	13.7
293.03015	3.0
300.99789	2.0
307.04630	3.5
319.00891	4.0
331.06686	2.5
337.01965	3.8
347.83832	1.2
351.03479	6.4
365.04709	2.2
381.04486	2.1
393.08478	1.2
409.07681	1.8
419.05960	2.8
437.07205	3.8
453.06650	3.7
463.05161	2.3
481.06241	13.3
482.06339	1.8
495.07596	1.7
513.08685	3.1
651.08026	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	683.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.2
59.01250	1.3
65.00186	0.4
69.75858	1.2
71.01253	2.2
73.02817	0.2
78.40578	0.2
78.64320	0.2
79.95608	3.1
83.01260	0.5
85.02814	1.8
87.00736	0.2
89.02337	1.2
89.10075	0.2
90.02355	0.2
91.84933	0.2
95.01245	0.9
96.95889	100.0
97.95832	0.3
98.20450	0.2
101.02332	0.9
107.01270	0.8
113.02333	4.5
119.03361	0.3
121.02831	0.6
123.00796	0.3
125.02362	1.0
135.04445	0.2
143.03394	0.4
149.02359	0.2
151.00284	2.9
161.04459	1.4
161.74205	0.2
169.01366	1.2
178.99763	1.0
179.05565	0.5
255.02724	0.2
300.99948	0.7
301.03506	9.3
302.00671	0.3
302.03925	0.7
311.09341	0.4
319.92447	0.2
341.13812	0.4
585.08746	2.2
586.09100	0.4
597.34833	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	11.7
61.98709	4.2
68.81116	0.6
68.82578	0.6
69.31850	0.6
69.40495	3.2
69.40918	3.2
69.44731	0.6
71.01252	18.1
72.99175	2.4
73.02830	2.1
76.91163	0.6
83.01257	1.2
84.97507	0.6
85.02827	2.3
85.25793	0.6
87.00751	34.1
88.01111	0.7
89.02320	1.1
96.95895	3.0
99.00700	0.7
101.02295	1.2
108.08078	0.7
109.06464	0.9
111.00796	1.0
113.02338	1.5
115.00259	46.5
116.00599	0.8
116.41637	0.6
116.92832	0.6
119.04922	1.6
121.02799	0.6
123.00805	1.0
125.02364	3.4
134.06010	2.5
135.04453	0.7
136.07571	9.2
145.02892	1.2
149.26741	0.6
151.00354	0.9
153.04039	0.7
160.01530	0.6
161.02324	1.6
163.00410	0.8
163.03889	1.2
169.01344	4.6
172.16649	0.6
175.02402	100.0
176.02701	1.9
234.85835	0.7
266.06854	0.8
278.07077	1.1
281.09348	3.0
283.10815	1.0
293.09369	2.0
300.99835	1.7
313.11914	1.1
371.24442	0.8
400.12842	0.8
402.18051	0.8
411.31409	0.9
430.17618	4.3
431.18173	0.8
457.04871	0.8
474.16666	11.3
475.17026	1.6
489.10046	1.9
506.19351	13.3
507.19901	2.4
532.15283	0.8
619.80768	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.0577
Annotation	Unknow
Peak:m/z	Relative Intensity
60.39880	3.2
64.31602	3.3
65.00214	4.6
66.36572	3.8
71.01211	3.7
71.56867	3.2
74.14632	4.1
82.75663	3.6
83.01273	10.3
93.03339	3.5
95.23421	4.0
107.01289	5.3
109.02843	5.9
111.00738	20.6
117.03356	6.6
123.00760	11.4
124.13190	3.7
125.02297	17.4
127.00262	6.2
133.02829	6.1
135.04364	4.8
137.02322	10.0
139.00287	13.6
145.02831	6.2
147.00795	6.8
149.02380	10.9
152.19421	3.5
152.98305	3.9
154.99738	13.8
159.00827	4.5
161.02338	16.2
162.95149	3.7
163.00214	21.4
163.03926	8.2
164.00970	4.3
165.01848	14.0
166.99748	8.2
169.01360	21.1
173.02386	7.7
175.00352	4.2
175.03946	8.5
177.01851	23.4
179.03444	7.0
182.99263	7.2
185.00829	6.8
185.02399	7.3
187.00279	7.1
189.01875	19.1
190.99797	7.2
191.03346	17.5
201.01971	5.4
205.01393	23.7
206.02223	5.5
206.99298	7.8
207.03038	7.9
209.00882	13.5
214.99884	5.0
217.01300	20.0
221.00922	5.4
229.01390	7.2
230.99316	9.0
231.02986	5.6
233.00862	34.6
235.02443	9.4
242.99324	6.5
245.01038	10.2
247.02431	6.1
249.04099	4.4
257.00748	5.6
258.98648	5.1
259.99481	5.2
261.00403	39.0
262.01114	4.1
263.01959	15.8
270.98959	4.6
273.00424	10.8
274.01233	4.8
275.01978	23.5
276.99915	11.4
279.01483	6.9
286.98413	18.2
288.99872	11.7
291.01501	6.2
298.98349	10.0
299.99170	5.7
300.99896	100.0
302.00266	8.4
304.99393	4.8
307.00958	5.2
314.97836	13.1
315.98441	8.8
316.99399	77.4
317.99753	8.5
332.98914	20.1
433.92465	4.5
451.05493	8.5
463.05203	25.7
469.05988	10.0
523.07245	4.7
565.08423	10.7
566.28326	4.2
566.37286	4.2
593.07886	5.9
656.53577	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	680.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.6
59.01252	17.4
61.98700	2.0
71.00958	1.1
71.01267	13.8
71.56277	1.5
72.99175	1.9
73.02824	4.6
75.25665	1.0
83.01244	1.3
83.04856	1.1
85.02813	4.0
87.00757	4.1
89.02306	5.1
92.95018	1.0
94.02881	2.4
95.01304	1.5
96.95862	1.9
97.06467	6.2
101.02319	7.6
107.03673	1.6
108.04424	8.0
113.02322	4.5
113.17824	1.2
119.03378	2.0
123.08061	3.4
125.02328	2.3
125.09610	27.9
126.09991	1.3
135.08026	1.3
145.04958	1.6
146.05981	2.1
158.06081	1.4
161.04381	2.3
169.01320	1.5
172.81631	1.1
204.17589	1.5
209.11841	1.3
230.15497	7.1
233.11536	3.4
235.08141	3.6
244.16957	2.5
245.36052	1.2
246.18745	1.3
253.09221	7.5
256.17047	29.4
257.17310	3.1
274.18088	2.7
282.14987	5.5
299.83969	1.3
300.16049	10.2
353.61075	1.3
364.26431	1.6
382.27539	8.8
390.24179	1.4
408.25601	7.3
426.26544	19.5
427.26358	2.5
444.27573	94.0
445.27988	14.8
462.28687	20.1
463.29034	3.5
647.67621	1.2
680.36530	100.0
681.36877	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	680.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.6
59.01252	17.4
61.98700	2.0
71.00958	1.1
71.01267	13.8
71.56277	1.5
72.99175	1.9
73.02824	4.6
75.25665	1.0
83.01244	1.3
83.04856	1.1
85.02813	4.0
87.00757	4.1
89.02306	5.1
92.95018	1.0
94.02881	2.4
95.01304	1.5
96.95862	1.9
97.06467	6.2
101.02319	7.6
107.03673	1.6
108.04424	8.0
113.02322	4.5
113.17824	1.2
119.03378	2.0
123.08061	3.4
125.02328	2.3
125.09610	27.9
126.09991	1.3
135.08026	1.3
145.04958	1.6
146.05981	2.1
158.06081	1.4
161.04381	2.3
169.01320	1.5
172.81631	1.1
204.17589	1.5
209.11841	1.3
230.15497	7.1
233.11536	3.4
235.08141	3.6
244.16957	2.5
245.36052	1.2
246.18745	1.3
253.09221	7.5
256.17047	29.4
257.17310	3.1
274.18088	2.7
282.14987	5.5
299.83969	1.3
300.16049	10.2
353.61075	1.3
364.26431	1.6
382.27539	8.8
390.24179	1.4
408.25601	7.3
426.26544	19.5
427.26358	2.5
444.27573	94.0
445.27988	14.8
462.28687	20.1
463.29034	3.5
647.67621	1.2
680.36530	100.0
681.36877	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	679.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.7
59.01238	2.2
63.10670	0.5
64.51891	0.5
65.00191	1.1
67.01761	1.2
68.99686	0.8
69.03336	0.5
69.30045	2.2
69.30472	2.6
71.01255	2.9
72.99170	1.4
73.02822	0.7
79.01762	1.0
81.03320	0.9
83.01246	1.6
83.04902	1.0
85.02797	1.0
87.00742	0.8
93.03305	0.5
95.01270	2.4
95.04878	0.5
99.00755	0.6
101.02267	1.1
107.01272	11.7
109.06458	0.6
109.99963	1.1
111.00761	7.7
113.02354	0.9
116.31695	0.5
120.71827	0.5
121.03000	0.5
122.99908	0.9
123.00774	13.7
124.01572	4.7
125.02335	29.2
126.02682	0.6
127.00266	2.9
136.98701	5.3
137.05952	2.0
139.00278	8.7
140.00049	0.8
140.01065	12.8
141.01778	1.6
151.00281	8.0
154.99770	1.0
155.07019	1.8
168.00574	10.6
169.01344	32.5
170.01663	1.3
189.05481	1.2
193.01332	1.7
219.10173	1.1
245.08179	2.1
245.47556	0.5
289.07147	6.2
296.26901	0.4
307.08286	2.5
355.24564	0.6
574.41949	0.5
587.82318	0.5
592.76453	0.6
679.29669	100.0
680.30029	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	679.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.6
59.01254	4.8
61.98705	1.1
65.00175	0.6
65.49811	0.5
66.70601	0.5
67.01759	1.7
68.99682	1.1
69.03332	0.8
71.01253	4.3
72.99181	1.5
79.01770	0.8
81.03333	0.8
83.01245	2.7
83.04881	1.3
85.02841	1.4
87.00756	1.3
89.02322	0.9
93.03337	0.6
95.01260	1.9
96.95876	1.4
97.02844	1.0
98.19697	0.6
101.02354	1.2
107.01276	12.5
107.04945	0.7
109.06492	0.7
109.99982	1.1
111.00766	8.3
113.02287	0.8
117.59506	0.5
119.04935	0.7
121.02810	0.9
123.00771	10.8
124.01614	3.9
125.02341	29.4
126.02650	1.0
127.00260	2.8
136.98717	5.2
137.05933	2.8
138.03166	0.6
139.00279	10.0
140.00023	1.1
140.01059	14.9
141.01778	2.1
149.02338	0.8
151.00296	7.5
153.09291	0.6
154.99759	1.1
155.07054	2.3
155.10629	1.2
161.02362	0.8
168.00552	14.5
169.01341	36.0
170.01601	1.4
189.05498	0.8
193.01416	3.5
219.10170	1.0
242.19083	0.5
245.08170	1.9
263.09256	0.8
289.07233	7.4
307.08270	2.9
314.78928	0.6
355.24713	0.7
519.06409	0.6
527.21680	0.6
679.29675	100.0
680.29987	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	677.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.6
70.78195	0.3
71.01245	0.6
81.03328	7.0
83.04896	21.3
84.05248	0.3
89.02296	0.3
95.23667	0.3
96.10910	0.2
101.02341	0.4
107.01287	0.3
107.06016	0.3
108.04435	0.5
113.02388	0.4
119.03449	0.3
123.00736	0.6
125.02351	2.3
125.07092	1.1
126.05501	0.6
139.00310	0.3
143.08186	0.9
157.13301	0.4
169.01332	2.5
207.14951	2.0
224.17625	3.8
225.16037	15.0
226.16348	0.9
242.18671	1.2
300.99939	0.5
301.03461	0.3
309.21854	1.0
324.26553	1.0
333.22800	1.4
339.27628	0.4
341.29303	1.4
351.24194	0.4
355.10208	0.3
367.27130	1.3
385.28271	0.6
433.31839	1.2
450.34546	2.3
451.32858	7.3
452.33078	0.7
525.15790	0.5
550.43243	1.1
559.39099	0.7
593.43817	1.1
635.85132	0.3
659.48810	1.7
671.25317	0.4
677.49689	100.0
678.49963	19.1
694.06488	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02852	0.4
59.01237	0.9
64.51366	0.3
71.01256	0.8
71.57220	0.4
80.04916	0.5
81.03333	9.7
83.04895	21.8
84.05237	0.4
87.00748	0.5
89.02318	0.5
95.01279	0.4
96.95887	0.5
99.00716	0.3
101.02332	0.5
107.01253	0.8
107.06025	0.5
108.04459	0.7
111.00777	0.5
113.02303	0.6
119.03386	0.3
121.84618	0.3
123.00766	0.8
123.04403	0.3
124.42361	0.3
125.02348	4.2
125.07084	1.4
126.05512	0.6
132.02061	0.4
139.00250	0.6
141.01851	0.3
143.08173	0.8
168.00575	0.7
169.01332	4.6
170.01581	0.4
175.03850	0.3
203.74199	0.3
207.14986	1.7
224.17671	3.2
225.16026	13.1
226.16359	0.8
242.18719	0.7
300.02570	0.4
300.99747	1.0
303.76828	0.4
309.21652	0.6
324.26498	0.7
333.23074	1.3
339.07053	0.6
341.29083	1.0
342.71030	0.3
348.87906	0.3
351.24045	0.4
355.10480	0.4
367.27200	1.1
373.11514	0.5
385.28125	0.5
433.31659	1.4
450.34448	1.4
451.32831	7.2
452.32959	0.8
507.11563	0.5
525.13214	1.3
550.43335	0.7
559.39771	0.5
565.45221	0.3
582.74530	0.3
593.43835	0.8
659.48456	2.1
677.12427	1.5
677.49683	100.0
678.49951	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	677.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.2
57.03321	1.3
58.00463	1.6
59.01249	42.6
60.01583	0.3
68.99704	0.6
69.03331	1.9
71.01253	35.3
72.01606	0.5
72.99181	2.3
73.02815	6.2
75.00757	0.9
81.03334	1.8
83.01261	4.9
83.04903	0.4
85.02822	7.8
85.99977	0.4
87.00751	8.7
89.02313	28.1
90.02681	0.4
91.03883	0.8
92.42211	0.3
95.01256	2.7
95.04908	0.3
97.02827	6.3
99.00723	2.0
99.04385	0.4
101.02322	29.1
102.02697	0.4
109.02820	0.6
111.00772	0.4
111.04376	1.0
113.02325	14.1
115.03905	0.8
119.03384	9.6
119.96339	0.3
121.02834	0.4
123.04427	0.3
125.02332	12.5
126.02703	0.4
127.03881	0.5
131.03404	1.4
133.04997	0.9
137.02365	0.5
139.03911	1.1
141.01814	0.6
143.03394	5.6
149.04463	1.3
161.04460	6.6
167.03375	0.8
169.01347	0.4
169.04985	0.4
171.02907	0.3
179.05530	6.1
180.05789	0.3
181.04985	0.4
185.04465	0.5
203.05630	0.4
217.07124	0.9
219.05040	0.4
221.06596	2.2
235.08185	15.1
236.08658	0.4
245.06601	0.8
250.53119	0.3
253.09262	3.5
261.22299	0.3
263.07697	1.9
277.09256	1.0
279.23276	100.0
280.23630	8.6
287.07697	3.1
293.24765	0.4
305.08817	3.4
323.09738	1.6
361.11365	0.4
379.12296	1.1
397.13470	67.4
398.13837	4.8
415.14563	30.2
416.14954	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	677.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	2.0
57.03330	1.0
58.00465	1.6
59.01253	38.5
69.03339	1.2
71.01255	38.0
72.99190	3.2
73.02826	5.5
75.00736	1.4
78.95784	2.3
79.61662	0.9
81.03352	2.2
81.72987	0.8
83.01276	3.8
85.02822	6.4
87.00751	9.9
89.02321	29.9
91.03928	0.9
95.01283	3.0
97.02839	5.0
99.00745	1.9
101.02323	30.6
107.01240	1.0
111.04394	0.9
113.02328	14.4
119.03397	9.3
123.00792	0.9
125.02353	13.2
126.02663	0.8
131.03398	2.0
133.04948	1.0
139.00229	1.1
139.03894	1.2
139.20715	0.9
143.03392	4.7
152.99425	1.5
160.73213	0.9
161.04486	7.3
169.01331	3.3
179.05502	5.8
194.53217	0.8
209.34833	0.8
217.07140	1.2
219.22861	0.9
221.06636	2.4
230.30757	1.5
235.08223	13.1
249.59079	0.9
253.09253	3.9
263.07806	1.9
275.06329	1.2
277.09497	1.1
277.21747	3.1
278.22363	0.9
279.23288	100.0
280.23642	7.8
280.46530	0.9
287.07651	2.8
305.08746	2.5
316.03369	2.1
323.09610	1.5
331.06769	2.2
379.12308	1.1
397.13501	66.3
398.14050	4.4
415.14563	25.4
416.14789	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	677.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	2.0
57.03330	1.0
58.00465	1.6
59.01253	38.5
69.03339	1.2
71.01255	38.0
72.99190	3.2
73.02826	5.5
75.00736	1.4
78.95784	2.3
79.61662	0.9
81.03352	2.2
81.72987	0.8
83.01276	3.8
85.02822	6.4
87.00751	9.9
89.02321	29.9
91.03928	0.9
95.01283	3.0
97.02839	5.0
99.00745	1.9
101.02323	30.6
107.01240	1.0
111.04394	0.9
113.02328	14.4
119.03397	9.3
123.00792	0.9
125.02353	13.2
126.02663	0.8
131.03398	2.0
133.04948	1.0
139.00229	1.1
139.03894	1.2
139.20715	0.9
143.03392	4.7
152.99425	1.5
160.73213	0.9
161.04486	7.3
169.01331	3.3
179.05502	5.8
194.53217	0.8
209.34833	0.8
217.07140	1.2
219.22861	0.9
221.06636	2.4
230.30757	1.5
235.08223	13.1
249.59079	0.9
253.09253	3.9
263.07806	1.9
275.06329	1.2
277.09497	1.1
277.21747	3.1
278.22363	0.9
279.23288	100.0
280.23642	7.8
280.46530	0.9
287.07651	2.8
305.08746	2.5
316.03369	2.1
323.09610	1.5
331.06769	2.2
379.12308	1.1
397.13501	66.3
398.14050	4.4
415.14563	25.4
416.14789	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	677.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.4
56.26726	1.5
57.03325	3.1
57.20855	1.3
57.45502	1.3
58.00465	5.1
59.01252	100.0
62.35865	1.6
62.86285	1.6
65.53905	1.4
67.59248	1.3
69.13462	1.4
71.01252	90.5
72.99173	5.6
73.02822	11.4
75.00734	2.1
83.01266	8.2
85.02330	2.7
85.02825	25.9
87.00756	7.3
89.02319	66.7
95.01266	8.1
96.95905	2.7
97.02827	2.1
99.00773	6.7
101.02324	57.7
102.02710	1.8
102.09898	1.5
107.01290	2.9
111.00766	2.2
113.02334	35.8
119.03396	24.0
123.00781	4.0
125.02322	11.7
131.03416	2.0
139.00308	3.2
143.03391	6.4
145.08580	3.8
147.04428	2.2
159.02896	5.9
160.03952	1.9
161.02409	2.1
161.04474	44.3
169.01352	14.4
179.05533	13.2
180.03780	1.4
205.03444	1.8
216.00575	2.1
218.53612	1.4
220.75056	1.9
229.01469	1.8
269.37561	1.4
273.00415	1.6
279.19565	2.9
291.19592	1.9
300.99854	6.6
301.03006	1.6
309.20612	8.0
317.21155	2.4
334.29739	2.0
335.22110	3.0
352.56744	1.5
453.03619	1.7
453.24728	5.0
471.25983	96.1
472.26230	11.8
497.27658	14.6
498.27847	2.3
515.28717	5.9
633.18011	2.3
633.30859	2.9
671.08215	1.7
677.16864	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	677.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57587	6.7
59.01250	100.0
62.78349	7.3
69.96335	40.8
71.01264	11.9
78.95786	65.1
85.76736	7.8
86.20945	6.9
89.68925	7.2
91.73926	7.1
94.37538	7.1
96.96841	11.0
98.20484	9.0
98.74175	8.5
101.02319	8.3
152.99466	33.0
157.22830	7.7
161.04491	8.9
209.11713	18.2
211.13327	86.2
229.64648	8.6
277.21899	9.9
295.22852	19.5
370.96497	9.9
372.72125	8.0
429.71686	9.2
431.22153	10.5
521.10413	8.1
590.05927	9.5
659.35254	13.1
677.36115	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50995	4.0
55.10490	4.0
59.01252	30.7
59.81066	3.6
61.98710	28.4
71.01257	19.2
71.56531	4.9
75.00745	29.1
78.95786	23.8
87.00756	4.5
119.59518	3.6
125.02332	10.2
150.06737	4.3
152.99481	12.6
161.04485	4.4
169.01366	14.0
177.19708	4.4
183.13811	4.6
187.01894	4.5
206.10040	4.1
207.09987	5.5
209.11754	7.4
211.13368	100.0
212.13705	11.3
233.11545	12.8
247.09441	11.8
269.66116	4.1
300.99860	11.7
380.83981	5.1
404.04373	4.8
447.22366	13.8
590.19550	4.1
623.34296	20.2
641.35248	5.8
652.13965	4.7
677.34979	14.6
706.58441	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	677.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	12.1
65.00173	1.6
67.01741	2.7
68.99670	2.0
71.01256	9.7
71.58031	1.4
72.99166	2.2
73.02801	1.8
83.01215	3.7
83.04880	1.4
85.02782	3.6
87.00707	2.2
88.98634	1.4
89.02341	5.6
95.01208	4.7
96.29494	1.2
96.95838	3.9
99.00722	1.1
101.02319	6.1
103.22270	1.1
107.01280	25.2
107.04865	2.2
109.02727	1.3
109.06403	1.5
109.99907	1.6
111.00058	1.4
111.00751	11.9
111.08025	2.1
113.02292	2.1
119.03355	2.1
121.02740	1.4
123.00750	11.6
124.01466	4.9
125.02347	46.0
126.02581	2.3
127.00187	4.9
130.32048	1.1
131.03394	1.4
135.04324	3.3
136.57481	1.1
136.98706	7.8
137.02301	1.9
139.00281	13.7
140.01050	16.5
141.01718	1.1
145.02827	1.3
149.02278	1.5
150.03043	1.7
151.00151	4.4
151.03871	1.3
154.99648	1.6
155.07047	24.3
156.07314	1.6
161.02307	1.4
161.04366	1.2
162.03119	1.4
164.04756	1.1
165.05409	2.5
166.99702	1.5
168.00549	15.7
169.01346	100.0
170.01579	4.9
177.05383	2.7
179.05484	3.1
189.05357	2.2
201.05428	1.4
211.02338	1.4
240.17329	1.0
243.06569	5.7
261.07364	1.5
285.03534	1.6
287.05325	4.0
294.06534	1.2
300.99594	4.3
428.16095	1.3
491.18469	3.5
515.24316	1.8
521.20215	1.7
521.32318	1.4
522.20660	1.5
523.21472	2.4
525.22235	5.4
585.28241	1.4
633.28284	5.0
676.34241	6.8
677.27441	51.9
678.27887	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	677.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.2
57.03317	2.4
58.00454	1.2
59.01254	13.3
59.22155	0.8
65.03825	1.6
69.03323	2.3
71.01257	16.0
72.99186	1.9
73.02827	3.5
73.12322	0.7
75.00754	1.1
79.74108	0.6
81.03340	0.8
83.01265	3.4
83.04901	2.6
85.02827	6.8
87.00754	1.9
89.02334	5.7
93.03339	3.8
93.06984	2.7
95.01262	3.0
95.04896	1.2
96.95900	2.4
97.02802	0.8
98.20619	1.3
99.00774	1.7
101.02334	10.1
105.07015	1.3
107.01274	1.5
108.02094	1.2
109.02862	0.7
109.06485	3.4
111.04419	1.0
111.08033	6.0
111.57434	0.7
113.02336	9.9
116.92751	0.8
117.03354	2.1
117.06970	1.1
119.03375	2.3
119.04896	1.4
121.02849	4.7
121.06470	2.7
122.03635	5.5
123.00762	1.5
123.04391	1.1
123.08087	0.8
124.33843	0.8
125.02354	5.5
125.05968	2.5
130.39935	0.7
132.02100	0.9
133.02837	4.9
133.06490	1.8
134.03671	1.6
135.04388	1.5
137.02339	2.5
137.05966	5.4
139.07552	4.8
141.01912	0.7
143.03398	1.1
143.04941	1.1
145.02887	1.0
146.03673	0.8
147.04407	0.8
147.08052	1.1
149.02348	22.4
149.05991	3.5
150.03139	32.0
151.00270	1.6
151.07587	1.4
155.07050	100.0
156.07391	4.4
161.02301	1.2
161.04523	2.2
161.05992	4.2
162.03087	3.6
164.04691	4.7
165.01872	0.7
165.05486	25.6
166.06236	5.1
169.01347	6.6
170.01672	0.9
171.46097	0.9
172.44696	0.7
173.06000	0.9
177.05531	3.9
180.04218	2.4
181.08641	3.6
191.07140	1.6
195.06570	11.2
197.08134	4.9
209.08070	1.6
221.08293	0.8
227.03244	0.7
230.29688	1.0
295.96924	0.9
300.02719	1.4
301.03546	0.9
314.11557	2.6
315.12320	0.8
325.12943	3.2
329.13901	6.3
343.13965	6.2
433.01227	0.7
473.18161	34.0
474.18631	4.7
491.19254	32.0
492.19476	3.8
521.20239	6.7
522.20496	1.6
539.10242	3.0
539.21399	6.1
540.21313	1.6
629.25970	5.9
630.26184	1.0
677.13818	3.5
677.27893	5.9
678.29059	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	677.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98544	0.8
55.01768	1.4
57.03315	2.6
58.00466	5.9
59.01250	36.4
64.79785	0.9
65.03834	2.7
67.01765	1.0
69.03316	2.2
69.27824	5.9
69.28255	3.8
70.75182	0.8
71.01256	43.7
72.99171	2.6
73.01148	0.8
73.02818	6.6
75.00753	3.1
81.03344	1.4
83.01269	2.8
83.04906	4.2
85.02821	12.6
87.00757	3.0
89.02324	28.8
93.03345	3.0
93.06989	6.4
95.01288	4.1
95.04874	2.6
97.02839	1.6
98.20525	1.4
99.00771	2.3
101.02327	18.7
103.05424	1.5
105.03339	1.2
105.06978	3.7
107.04942	2.3
108.02033	2.5
109.02866	1.4
109.06476	6.5
111.08039	9.4
113.02333	29.4
114.02670	0.9
115.05415	1.9
117.03347	6.0
117.07005	3.9
119.03381	14.3
119.04919	3.1
121.02828	6.7
121.06490	7.8
123.04404	2.3
123.08054	1.4
125.02317	1.9
125.05943	2.0
131.03441	1.1
131.04919	2.0
133.02869	1.8
133.06471	6.3
134.03632	1.6
135.04404	1.8
135.08073	2.0
137.05983	3.7
139.07545	13.9
143.03432	2.8
143.04945	2.8
145.02873	6.2
146.03632	2.9
147.04475	1.6
147.08072	1.6
149.02351	2.2
149.04517	1.2
149.05984	2.7
150.03146	2.4
151.04126	1.0
151.07556	4.0
152.22150	0.9
155.07045	100.0
156.07356	4.1
160.37914	1.0
161.02383	7.3
161.04491	6.9
161.05991	13.5
162.03139	80.2
163.03525	2.7
165.05515	2.8
166.06238	17.1
170.42839	1.0
173.06021	3.6
173.44261	1.0
177.05492	76.6
178.05867	2.7
179.05516	4.9
179.07057	3.2
180.04219	1.4
181.08630	7.7
186.02200	0.9
191.07089	2.5
195.06583	2.6
197.08113	13.8
209.08180	3.8
219.06517	4.3
227.09184	1.3
229.54376	0.9
257.10342	2.0
300.96545	1.0
339.10852	4.1
357.12021	2.5
471.78824	1.1
521.20178	3.3
525.23505	1.6
539.20990	1.3
677.27814	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
61.73455	2.9
62.63294	2.8
69.99118	4.7
69.99521	14.8
70.86431	2.7
78.95771	17.4
130.45457	3.5
141.60788	2.7
152.99500	32.4
171.00534	5.3
183.13890	8.3
193.12224	4.3
211.13341	100.0
212.13695	4.5
222.86687	2.7
227.03201	4.4
241.40501	3.2
253.21782	20.7
267.15262	3.3
290.25528	3.1
295.95590	2.9
333.82892	3.1
352.49747	2.9
421.16696	4.2
439.17337	68.7
440.17593	4.4
675.38837	11.7
676.39374	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	677.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48227	2.6
59.01238	8.6
62.18096	2.4
62.18406	2.3
64.86848	3.1
69.21585	2.5
71.57361	3.6
74.04514	2.4
78.95763	5.4
80.40430	2.2
85.35600	2.4
96.19221	2.6
96.95881	2.8
128.90965	2.9
141.61598	2.3
144.97484	2.4
152.99513	3.7
167.55238	2.7
481.15118	18.9
482.15240	4.0
495.16440	4.2
539.15826	4.1
540.16632	5.3
555.18921	25.2
556.18915	4.1
563.47235	3.7
572.15344	6.6
641.22528	29.9
642.22882	7.3
677.20197	100.0
678.20544	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	675.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84387	0.4
55.01753	2.1
57.03320	1.7
58.00469	2.8
59.01252	58.4
60.01587	0.5
68.99693	0.4
69.03326	2.7
71.01253	44.4
72.01585	0.8
72.99171	3.2
73.02821	7.8
75.00750	1.4
78.95797	0.9
81.03329	1.8
83.01258	5.2
83.04887	0.6
84.37936	0.4
85.02824	10.8
85.99982	0.6
87.00748	10.8
87.04389	0.6
89.02317	37.3
90.02656	0.7
91.03905	1.3
93.03335	0.6
95.01270	3.6
97.02824	8.5
99.00748	2.5
99.04435	0.4
101.02322	36.7
102.02674	0.8
103.03907	0.7
109.02821	0.7
111.00769	0.9
111.04408	1.3
113.02331	17.7
114.02681	0.5
115.03873	0.9
119.03384	13.0
119.04238	0.6
121.02824	1.0
123.00809	0.5
123.04421	0.6
125.02338	14.8
127.03883	0.7
131.03384	2.3
133.04974	1.3
137.02339	0.5
139.03911	1.0
141.01817	1.2
141.02834	0.3
143.03418	7.1
149.02412	0.4
149.04475	1.6
161.04478	8.1
167.03424	0.7
169.04974	0.5
179.05544	8.0
179.25130	0.5
185.04413	0.8
199.06018	0.5
217.07149	1.3
221.06596	3.0
235.08191	17.3
236.08456	0.8
245.06677	0.9
253.09346	4.3
259.20728	0.4
263.07773	2.3
272.81219	0.3
275.20142	0.5
277.09241	1.3
277.21716	100.0
278.22049	9.5
287.07764	3.8
291.23337	0.5
305.08743	4.8
306.09079	0.5
323.09811	2.8
361.11371	0.8
379.12402	1.1
397.13486	75.7
398.13785	6.8
415.14560	34.2
416.14819	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	675.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01715	0.8
57.03272	0.8
58.00409	0.6
59.01173	4.1
60.26182	0.6
67.01689	1.7
68.99636	1.0
69.03255	1.2
70.01966	0.7
71.01167	7.0
71.58559	1.1
72.99108	1.0
73.02744	2.0
75.23215	0.7
79.01678	2.6
79.02079	0.7
81.03297	0.9
83.01151	2.2
85.02720	2.2
87.00662	0.9
88.98605	0.9
89.02252	0.9
95.01167	4.5
96.95811	1.2
97.02731	2.6
99.00649	1.8
101.02213	4.0
107.01260	8.5
109.06454	0.6
109.99850	0.7
111.00647	4.6
113.02200	2.1
116.92661	1.2
123.00772	31.2
123.01624	1.2
123.83334	0.7
124.00945	0.7
124.01517	1.4
125.02345	34.5
126.02579	1.6
127.00157	1.9
134.63017	0.6
135.04312	0.9
136.98590	2.6
137.02238	1.2
138.01762	1.0
139.00273	7.5
140.01073	5.5
141.01855	4.6
151.00278	19.3
151.03813	0.9
153.01741	1.8
155.06895	0.9
161.04323	0.7
163.03812	0.8
165.01665	0.7
166.99745	0.9
168.00551	6.3
169.01340	42.0
170.01643	1.0
179.03310	0.7
187.03877	0.7
209.04332	0.9
211.02303	1.4
236.70621	0.6
271.04721	0.7
285.03894	0.8
287.22235	1.3
300.99854	1.8
313.05566	1.8
385.47147	0.7
429.44690	0.7
512.36688	0.8
519.30878	0.8
523.21838	100.0
524.22260	19.9
583.27942	1.5
587.89539	0.8
631.36530	1.0
675.35870	89.3
676.36243	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	675.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.5
57.03326	1.8
57.03578	0.3
58.00466	2.2
59.01252	58.9
60.01558	0.4
65.21145	0.3
68.99689	0.5
69.03336	2.7
69.70832	0.3
71.01255	43.7
72.01586	0.6
72.99179	2.8
73.02818	7.6
75.00740	0.7
81.03341	1.2
83.01263	4.5
85.02824	10.3
87.00751	10.2
87.04412	0.5
89.02317	37.6
91.03891	0.7
93.03378	0.6
95.01259	3.7
97.02833	8.5
99.00778	2.7
99.04401	0.6
101.02324	34.6
102.02706	0.7
109.02845	1.0
111.00744	0.6
111.04411	1.2
113.02331	17.1
114.02695	0.4
115.03889	1.1
119.03392	11.6
121.02840	0.8
123.00751	0.7
123.04459	0.6
125.02340	14.1
126.02613	0.5
127.03886	0.4
127.07500	0.4
127.59121	0.4
129.01772	0.3
131.03389	1.6
133.04958	1.5
137.02364	0.5
139.03900	1.1
141.01866	0.7
143.03400	6.8
149.04449	1.6
157.04988	0.4
161.04477	8.2
167.03430	1.0
169.04984	0.6
179.05527	8.2
185.04474	0.8
199.06059	0.8
203.05515	0.6
213.79173	0.3
217.07104	0.9
219.05067	0.6
221.06668	3.1
229.57916	0.4
233.22780	0.4
234.87201	0.3
235.08182	15.0
236.08521	0.8
245.06697	1.2
253.09267	3.7
259.20758	0.5
263.07690	1.5
277.09348	1.4
277.21719	100.0
278.22052	8.6
287.07736	3.4
291.23383	0.5
305.08728	3.9
323.09747	1.8
361.11636	0.6
379.12378	1.0
397.13504	73.7
398.13852	5.6
415.14587	33.9
415.19058	0.7
416.14948	2.6
418.71246	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57059	7.6
59.01246	29.8
61.98708	17.1
71.01263	25.4
71.14984	8.1
71.15327	15.0
81.42749	8.9
83.04907	13.9
89.02319	9.6
92.52627	8.3
96.95895	12.1
101.02319	17.4
103.25323	7.4
107.27122	6.9
109.06482	19.1
113.02345	11.4
122.34396	7.6
125.59286	6.4
145.88979	7.2
158.11575	10.1
163.11298	12.3
166.06866	7.6
167.52698	7.4
169.01334	8.1
169.12421	7.3
171.10173	68.7
174.18036	9.2
183.13857	83.1
185.11777	35.0
197.11742	60.4
199.13443	9.7
207.10239	26.0
209.11823	100.0
210.12122	30.4
211.13445	67.0
212.13576	12.9
225.11253	21.2
227.12859	23.7
228.13190	16.1
249.14954	9.4
253.09302	22.9
354.13190	8.7
471.11707	9.1
615.29608	15.3
621.32764	23.3
631.32642	22.3
639.33698	15.3
657.34741	33.4
658.34424	12.0
675.35034	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03660	0.4
55.01727	0.7
57.03323	0.4
59.01253	3.3
65.00204	0.5
67.01748	1.6
68.99675	0.7
69.03325	1.1
69.32011	4.3
71.01257	4.4
72.99165	0.9
73.02791	1.2
79.01744	1.8
81.03308	0.6
83.01237	1.7
85.02819	2.2
87.00739	1.4
89.02306	1.1
95.01268	4.3
96.95867	0.6
97.02798	1.4
99.00741	0.8
101.02330	2.9
107.01265	8.2
109.06421	0.4
109.99946	0.7
111.00749	4.7
113.02296	1.9
114.28895	0.4
116.92678	0.8
120.21256	0.4
123.00770	30.5
124.01497	1.6
125.02340	31.8
126.02608	1.3
127.00230	1.8
127.03876	0.4
136.98686	2.3
137.02338	0.7
139.00266	7.3
140.01062	6.2
141.01868	4.8
151.00273	18.3
151.03793	0.5
152.00549	0.8
153.01802	1.6
153.05479	0.4
154.99701	0.6
163.03851	1.0
168.00546	5.3
169.01334	34.2
170.01659	1.1
181.04900	0.7
209.04527	0.7
209.11740	0.6
211.02370	1.6
223.02426	0.4
253.03410	0.7
253.66382	0.4
260.93863	0.4
269.21130	0.8
271.04453	1.3
271.34439	0.4
287.22290	7.9
288.22534	0.6
311.26581	0.4
313.05695	2.3
332.39041	0.4
346.71436	0.4
389.81143	0.5
409.70532	0.5
431.26151	1.2
449.27567	11.8
450.27701	1.3
523.21820	34.1
524.22296	4.6
583.27582	19.6
584.28186	2.6
601.28857	3.7
674.33978	1.6
675.32794	100.0
676.32983	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	675.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	4.8
61.98687	1.3
66.87508	0.6
67.01745	0.8
68.99697	1.1
69.53995	5.2
71.01262	4.6
72.09294	0.6
78.95761	1.6
79.01768	1.0
81.03317	1.1
83.01239	0.8
83.04893	2.9
85.02819	1.3
87.00760	1.2
88.98696	0.7
89.02319	1.9
95.01260	1.4
96.95911	1.8
97.02805	1.0
98.20526	1.4
101.02325	3.0
107.01274	9.8
111.00752	4.4
111.08022	0.8
113.02318	1.1
123.00766	12.5
124.01566	2.8
125.02339	42.4
125.05891	0.7
126.02642	0.8
127.00243	1.8
129.19452	0.7
136.98669	2.1
137.05945	1.6
139.00240	7.0
140.01053	7.7
141.01822	2.7
151.00276	13.2
155.07048	8.7
165.05498	0.9
166.99767	0.7
168.00551	9.0
169.01340	73.1
170.01694	3.0
171.10074	0.9
177.01732	0.7
193.01463	1.6
200.13632	0.7
209.11780	9.6
210.12090	3.3
211.02376	0.7
219.00441	0.7
227.12827	2.9
228.13222	1.9
229.13515	0.7
248.46121	0.8
272.27939	0.8
285.04016	0.7
287.22177	2.7
289.07135	6.3
294.21414	0.7
300.67365	0.7
301.00046	1.0
301.03922	0.8
307.08231	100.0
308.08527	6.6
313.05594	0.8
349.09335	13.4
371.76151	0.8
379.10318	3.2
387.09717	3.5
387.13757	0.7
405.10367	2.1
409.11337	14.0
410.11877	0.9
443.36819	0.7
469.13531	15.0
470.13812	1.5
523.22083	0.7
559.25659	0.9
657.25763	1.1
675.25989	11.5
675.32904	13.3
676.26495	2.5
676.34338	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73659	1.1
55.08405	0.9
57.03310	1.9
59.01256	11.5
61.98671	4.1
65.00175	1.6
67.01720	1.4
68.99670	1.3
69.57623	7.1
69.58042	2.0
71.01251	9.3
73.02801	2.2
75.00765	1.3
77.45652	1.1
79.01756	1.8
81.03307	1.7
83.01241	3.1
83.04884	2.1
85.02784	3.8
87.00743	1.6
89.02296	3.5
95.01218	3.8
96.75629	1.1
96.95901	5.6
97.02801	2.5
99.00736	1.6
101.02327	6.2
107.01277	17.0
109.02887	1.4
109.06425	1.4
109.99948	1.2
111.00780	10.5
113.02268	3.4
123.00787	13.2
123.08006	1.2
124.01575	5.5
125.02348	48.9
126.02612	1.8
127.00227	3.1
136.98715	7.8
137.02246	1.5
137.05949	2.8
139.00273	13.1
140.01048	13.9
141.01729	2.3
141.42496	1.1
151.00272	13.4
154.99718	1.9
155.07059	6.6
160.01501	2.9
161.04420	1.5
163.11032	1.5
166.97241	1.1
166.99702	1.3
168.00566	17.7
169.01343	61.5
169.12207	2.2
170.01659	2.0
171.10216	2.8
175.03853	2.7
185.11676	3.6
193.01299	4.4
193.04800	1.3
196.84000	1.1
199.13365	2.1
201.11208	2.2
205.12180	1.3
206.02142	1.3
209.09969	1.3
209.11809	21.9
210.12114	7.6
211.12195	2.3
211.13094	1.7
212.13597	1.1
227.12822	7.6
228.13072	4.1
243.15862	3.7
245.07988	2.3
251.20949	1.1
253.09319	3.0
263.05469	3.3
272.02795	1.2
280.59885	1.3
284.79089	1.2
289.07202	8.9
300.02686	2.8
300.99728	2.2
301.03268	3.3
307.08270	21.8
308.08286	2.3
349.09039	1.6
409.10977	2.9
469.13086	3.6
483.29163	1.7
513.23236	2.7
519.32135	1.7
523.21716	1.8
615.32959	1.8
675.26025	100.0
676.26331	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	675.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21659	0.4
57.03314	1.2
59.01253	2.3
61.98693	0.4
67.01753	1.2
69.03329	1.2
69.39655	2.9
69.40070	0.9
71.01253	3.5
72.99162	0.7
73.02799	0.8
74.18825	0.4
79.01753	0.9
81.03355	0.6
82.21349	0.4
83.01267	1.5
85.02822	2.0
87.00736	0.8
89.02297	0.7
95.01271	2.7
96.95925	0.5
97.02824	1.9
98.19845	0.8
99.00736	0.4
101.02347	2.3
107.01267	8.9
109.02832	0.7
111.00790	3.2
113.02318	0.7
123.00777	13.3
123.04465	0.4
124.01585	3.2
125.02339	42.7
126.02676	1.4
127.00247	1.0
135.04378	0.5
136.98720	2.3
137.02359	0.8
137.09665	0.5
139.00259	4.3
140.01053	5.0
141.01822	1.4
145.02887	0.5
146.95490	0.4
151.00282	6.8
151.03856	0.5
153.01852	1.0
155.07037	0.9
163.03871	0.7
165.05504	0.4
166.99811	0.9
168.00562	6.9
169.01343	45.4
170.01674	1.3
175.03893	0.8
179.03424	1.0
185.11734	0.7
193.01465	0.5
193.05013	0.6
209.11801	4.8
209.15344	0.8
210.12080	2.4
211.02553	1.9
227.12929	1.0
237.04030	1.3
253.09309	0.5
287.22375	1.1
295.04620	1.0
300.99799	0.6
307.08359	0.6
313.05673	1.4
347.48993	0.5
449.27158	0.7
489.20737	0.6
505.20764	6.9
523.21875	11.8
524.22235	1.3
674.34528	0.5
675.22913	100.0
675.32538	5.6
676.23279	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	675.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47213	0.3
57.03267	0.5
59.01168	2.5
61.83406	0.3
65.52377	0.3
67.01703	0.8
67.76470	0.3
68.99625	0.7
69.03262	0.7
69.03594	0.3
71.01167	3.4
71.38259	0.4
71.38596	0.3
72.99124	0.6
73.02734	1.0
79.01685	0.9
80.92226	0.3
83.01180	0.9
83.04843	0.5
85.02724	1.7
87.00665	0.5
89.02238	0.7
92.60786	0.3
95.01147	1.7
96.95797	0.9
97.02734	0.8
99.00655	0.5
101.02329	2.3
107.01270	3.3
109.02718	0.5
109.06377	0.4
111.00771	1.6
113.02201	1.2
113.02923	0.4
123.00780	12.9
124.01494	0.6
125.02345	14.0
126.02631	0.4
127.00211	0.8
127.03733	0.3
136.98570	1.3
137.02246	0.4
139.00293	2.7
140.01042	2.7
141.01862	1.9
151.00279	9.6
151.03784	0.5
153.01729	0.8
155.06992	0.6
163.03889	0.5
166.99687	0.5
168.00552	3.0
169.01350	19.7
170.01540	0.9
175.87575	0.3
181.04846	0.6
187.03828	0.3
209.04399	0.3
209.15233	0.4
211.02301	1.0
271.04453	1.3
272.04788	0.4
285.12277	0.3
299.99133	1.7
300.02158	0.4
300.99524	3.1
301.03131	0.7
301.99634	1.4
313.05664	1.6
339.78473	0.3
357.13556	0.4
382.85196	0.3
512.37048	0.7
523.21838	100.0
524.22192	14.7
584.04578	0.4
674.34454	0.6
675.25684	0.4
675.36060	12.4
676.36450	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92680	1.2
57.68530	1.2
59.01247	3.2
65.00200	2.3
67.01754	1.1
71.01254	6.7
72.99166	1.9
80.74942	1.2
83.01277	3.4
85.02813	2.5
87.00768	1.8
89.02312	2.1
93.03347	1.6
95.01278	5.9
96.95916	1.8
97.02831	2.0
98.19749	2.7
101.02296	2.9
107.01269	17.5
109.02890	2.4
109.58882	1.3
111.00739	6.5
113.02328	3.4
121.02851	4.3
123.00768	13.9
124.01580	4.8
125.02344	72.5
126.02646	2.4
127.00276	2.4
135.04408	1.5
136.98692	3.2
137.02293	1.9
139.00293	9.1
139.03882	1.9
140.01096	9.0
151.00273	24.8
151.03996	1.6
152.21710	1.4
161.02332	3.3
163.00325	2.8
163.04005	1.8
164.08167	1.4
166.99834	3.2
168.00584	14.1
169.01343	100.0
170.01692	3.7
177.01720	1.8
178.99796	6.7
179.03369	4.4
183.02887	2.6
189.01930	2.0
191.06987	1.6
193.01346	1.5
194.05757	4.3
195.06511	2.9
205.01277	1.4
209.08142	2.6
211.02414	3.9
241.03523	1.9
245.00879	2.6
261.00217	1.4
271.04663	1.9
297.06116	3.9
297.11252	2.2
301.00055	3.6
301.03516	57.3
301.06970	2.9
302.03934	4.3
307.41104	1.3
313.05612	21.4
327.07327	2.6
347.00314	3.5
354.03751	3.2
419.08517	1.5
451.14709	1.3
523.14581	93.4
524.15131	9.2
543.33411	1.5
585.08844	6.7
585.16962	1.7
586.08826	2.3
613.15601	1.3
631.16534	4.4
675.14807	33.1
676.15790	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	675.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.6
59.01239	1.3
67.01764	0.8
68.99660	0.5
70.72145	1.5
71.01271	2.1
72.99179	0.4
73.02808	0.9
83.01256	1.0
85.02847	0.8
86.69905	0.4
89.02341	0.5
95.01266	1.2
97.02821	0.7
101.02334	1.6
107.01280	2.7
111.00745	1.3
113.02355	0.5
123.00767	12.3
124.01564	0.8
125.02345	10.8
127.00228	0.9
136.98647	1.1
139.00250	2.6
140.01059	2.0
141.01842	1.5
141.69658	0.4
151.00276	8.3
153.01903	0.6
163.03859	0.6
168.00574	2.2
169.01344	18.8
175.38104	0.4
181.05038	0.5
211.02290	0.7
271.04581	1.6
300.99979	0.8
313.05835	0.9
512.36938	0.5
523.21826	100.0
524.22180	13.9
599.24384	0.4
675.24591	0.5
675.36139	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	673.417
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09497	0.4
59.01073	0.9
59.01394	1.3
67.32068	0.5
71.01004	0.8
71.01428	1.4
73.02969	0.9
79.01905	0.5
83.05059	0.6
85.02542	0.5
85.02988	1.1
89.02483	0.5
95.00945	0.5
95.01478	1.1
96.96049	0.7
97.50185	0.4
99.04525	0.6
101.01895	0.6
101.02489	1.0
107.01514	2.1
109.03007	0.6
111.00939	1.0
113.02514	1.1
113.06175	0.8
121.06626	0.5
123.01024	6.2
124.01759	0.6
125.01582	1.0
125.02592	7.4
135.67619	0.4
136.98907	0.8
137.06206	0.4
139.00517	1.6
140.01256	1.1
141.02013	1.2
149.06250	4.8
149.09856	0.6
150.05125	1.6
150.07042	45.0
151.00546	3.4
151.07463	1.7
158.54510	0.5
161.09843	0.6
163.06401	0.5
163.07846	6.6
163.11554	0.5
164.08624	9.8
164.98434	0.5
165.09134	0.6
166.99962	0.9
168.00874	1.6
169.00066	1.0
169.01625	11.3
170.01935	0.5
174.25655	0.4
178.10216	2.1
179.09290	2.4
179.10988	32.2
180.11342	1.6
188.58409	0.4
209.11784	5.8
211.02687	1.7
227.13220	1.3
271.04984	2.0
292.03619	0.5
301.00177	1.0
325.75366	0.5
381.02612	0.6
451.12292	0.5
457.16739	0.5
478.32883	0.6
493.14896	2.4
493.35318	1.0
496.34061	8.4
497.34451	1.1
509.34680	0.9
510.35614	4.1
511.36411	100.0
512.36749	15.7
521.20270	1.7
522.20868	0.9
673.18158	1.9
673.33972	29.6
674.18512	1.0
674.34210	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	674.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84856	0.8
59.01237	0.8
61.98705	100.0
62.50891	0.7
69.30527	0.8
78.95789	5.7
98.19774	2.1
114.74766	0.9
119.65247	0.8
149.38019	0.8
152.98392	0.8
152.99515	3.2
209.11780	4.5
227.12825	1.1
279.23325	3.8
315.72205	1.0
322.07892	0.9
322.11615	0.9
427.67017	0.7
643.35858	2.2
675.38470	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13234	0.7
57.03326	0.7
59.01250	7.9
67.83290	0.7
71.01254	8.7
73.02847	2.0
74.32078	0.7
80.02561	1.7
81.03339	2.1
83.01247	1.5
83.04901	6.6
83.80005	0.7
84.02058	1.2
85.02837	1.1
87.00747	1.5
89.02312	3.4
95.01271	1.0
97.06451	0.8
98.20576	1.5
101.02318	6.0
109.06493	1.4
111.00835	0.6
111.08068	1.4
113.02341	3.8
119.03413	1.3
125.05949	1.1
125.09562	0.8
135.08093	1.3
145.05028	0.9
161.04498	1.9
163.11255	5.3
165.12798	9.5
166.21021	0.8
171.10216	1.9
181.12292	1.8
183.13840	74.0
184.14178	4.1
185.11865	1.8
193.12196	0.7
193.86667	0.7
199.13338	2.8
207.10258	2.8
209.11781	100.0
210.12102	7.0
211.13420	5.6
211.48631	0.8
225.11328	3.5
227.12859	23.8
228.13208	1.9
235.08203	4.1
253.09261	9.0
266.64258	0.8
297.32794	0.8
369.38718	0.7
419.23193	1.1
445.20688	2.4
463.21912	5.0
637.31879	1.3
655.33044	1.9
673.34320	44.0
674.34833	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	673.344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27385	1.0
57.03340	1.2
58.00455	2.5
59.01249	9.4
71.01250	23.7
71.04930	1.1
71.05350	2.6
73.02815	3.5
80.02550	2.2
81.03323	1.3
83.01256	1.5
83.04900	5.0
83.90313	0.9
85.02826	2.5
85.98992	1.0
87.00744	2.9
89.02320	4.8
95.01314	0.9
95.04890	1.8
97.02857	1.4
97.06449	1.6
99.00784	3.4
101.02322	7.0
109.06487	3.0
113.02329	4.6
119.03428	1.4
125.09603	3.9
126.03401	1.0
133.32738	1.1
139.07555	1.2
145.04909	1.2
151.11182	2.2
155.10782	1.2
156.50778	1.0
161.04526	2.0
162.41486	1.0
163.11188	7.8
165.12732	3.7
169.12222	1.1
171.08910	1.6
171.10208	14.1
178.84604	1.3
181.12279	4.5
183.13837	5.6
183.27608	1.0
185.11789	4.5
191.10577	1.3
193.12274	1.6
199.13332	24.7
201.11259	11.3
207.10194	10.8
207.13922	1.3
209.11775	100.0
210.12109	5.4
211.13335	44.4
212.13776	1.7
225.11301	12.2
227.12848	62.9
228.13191	4.2
229.14404	1.5
235.08191	4.7
235.13416	2.3
243.12267	1.8
247.13344	3.5
253.09254	13.0
265.14267	1.2
293.82431	1.1
383.22217	1.3
401.23340	3.6
419.24417	3.8
437.25674	1.4
445.20786	2.5
461.20273	1.5
463.21945	6.0
637.32288	5.1
638.32990	1.4
655.33093	5.9
656.33447	2.8
673.34167	12.7
674.34692	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	673.344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89340	1.1
57.03328	3.0
58.00472	2.7
59.01252	12.4
69.03310	1.3
71.01257	42.2
73.02816	2.8
81.28137	1.2
83.01258	1.5
83.04897	5.6
84.02061	1.6
85.02825	4.0
87.00735	2.3
89.02323	5.1
95.04885	1.9
97.02827	2.7
97.79983	1.2
98.20567	2.8
99.00795	2.2
101.02324	9.1
101.02902	1.5
107.04908	1.3
109.06482	4.1
113.02335	3.1
125.09631	4.6
145.04974	1.8
155.72287	1.3
157.41028	1.2
161.04465	2.3
163.11246	5.7
164.11450	1.4
165.12752	3.7
169.12283	1.9
171.10188	16.8
181.12282	5.7
183.13835	9.2
185.11761	5.1
187.22089	1.4
191.10655	1.9
193.12236	1.6
194.38022	1.2
197.11826	1.6
199.13322	31.2
200.13716	2.3
201.11258	13.2
207.10231	13.5
209.11778	100.0
210.12074	6.1
211.13350	61.9
211.15411	2.2
212.13721	3.8
215.12784	2.0
225.11298	15.9
226.11591	1.3
227.12846	79.2
228.13240	3.9
229.14314	2.6
235.08200	5.3
235.13367	3.9
243.12360	2.2
245.13867	2.8
247.13394	3.3
253.09297	18.5
253.14363	1.7
265.14554	3.0
285.14114	1.3
391.24908	1.4
401.23267	4.1
419.24258	4.2
437.25464	3.4
447.22522	2.6
461.20020	1.7
463.21814	10.8
464.22180	1.4
471.22061	1.3
516.19672	1.4
637.32135	7.1
638.33081	1.7
655.33154	8.6
656.34027	1.4
673.34235	13.6
674.34241	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	673.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.9
55.44356	0.9
57.03315	1.5
58.00459	1.8
59.01249	12.6
61.98681	1.1
68.13736	1.1
69.03311	1.3
71.01255	43.1
71.04899	1.0
73.02820	3.8
78.95781	4.5
80.02549	1.2
81.03350	2.1
83.01250	1.4
83.04887	5.4
84.02005	1.1
85.02834	4.3
87.00756	3.1
89.02317	6.2
95.01239	1.2
95.04958	1.0
97.02818	3.2
98.20567	2.1
99.00751	3.4
101.02309	11.0
109.06477	7.2
110.03622	1.1
111.00822	1.6
113.02336	5.7
119.03403	2.8
125.05960	1.1
125.09624	3.3
135.08057	2.0
137.09607	1.1
145.04971	1.6
148.71193	1.1
152.99516	2.7
153.12764	1.0
155.14319	1.5
161.04462	3.6
161.09566	1.0
163.11171	9.8
165.12775	2.5
167.14288	1.4
171.10190	10.7
179.05461	1.0
180.19856	1.0
181.12248	6.0
183.13835	12.3
185.11771	3.9
191.65384	0.9
193.12285	2.2
197.98695	0.9
199.09593	1.0
199.13329	29.9
200.13669	1.3
201.11243	8.6
207.10217	23.5
208.10530	1.7
209.11766	75.8
210.12029	5.1
211.13339	100.0
212.13695	5.0
215.12755	1.9
225.09212	1.7
225.11287	20.6
226.11717	1.5
227.12836	74.7
228.13174	5.4
229.14427	3.2
235.08174	5.7
235.13335	2.2
243.12251	2.1
245.13878	1.4
247.13370	2.0
249.14993	1.1
251.13039	1.2
253.09303	15.0
264.39352	0.9
265.14444	1.8
357.24313	1.2
359.72403	1.1
373.23651	1.6
375.25055	1.0
383.22287	2.0
391.24811	1.9
399.47177	0.9
401.23334	6.3
402.23550	1.0
419.24365	3.7
433.20953	1.0
437.25128	1.3
447.21967	1.8
454.44275	1.1
461.20178	3.2
463.21863	10.3
479.21472	1.3
483.69196	1.0
637.32007	7.2
638.32501	1.2
655.33081	9.8
656.33722	2.4
673.34265	20.3
674.34747	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	673.344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.3
62.27756	0.4
71.01247	2.0
80.02548	1.1
81.03330	1.1
83.04890	4.9
84.02050	1.7
89.02293	2.1
95.04893	0.7
98.20663	0.9
101.02325	0.9
113.02325	0.9
125.73028	0.4
135.08092	0.7
154.06319	0.5
155.72522	0.5
161.04433	1.0
163.11211	3.5
165.12770	1.7
171.10219	3.5
178.24988	0.5
181.12271	0.5
191.10641	0.7
209.11784	100.0
210.12123	6.2
227.12854	12.0
228.13152	1.0
235.08192	2.1
247.13339	2.1
253.09280	5.5
442.50757	0.6
445.20941	1.1
637.32324	1.0
655.33472	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	1.6
60.71214	0.4
63.38916	0.4
67.01748	1.4
68.28289	0.4
69.03307	0.6
69.54022	3.1
71.01257	2.2
72.99153	1.0
73.02804	0.6
77.05420	0.4
77.66685	0.5
79.01766	1.3
83.01250	0.7
85.02807	1.2
95.01275	2.3
96.93454	0.4
97.02821	0.9
98.20586	0.4
99.00726	0.6
101.02296	1.6
107.01273	4.3
111.00770	2.2
113.02297	0.8
123.00768	18.0
124.01520	1.6
125.02332	19.2
126.02630	0.5
127.00233	1.0
136.98692	1.7
137.09605	0.5
139.00272	5.6
140.01067	4.1
141.01813	2.8
150.06775	0.4
151.00267	11.1
153.01823	1.3
155.10590	0.4
166.99857	0.5
168.00575	3.2
169.01335	25.1
170.01604	1.2
177.03867	0.4
198.70920	0.5
201.14787	0.6
204.06116	0.4
209.11757	1.7
211.02382	0.8
253.03531	0.5
271.04669	0.5
302.74921	0.4
313.05594	1.6
359.28015	1.2
389.94351	0.5
493.14911	1.4
673.34338	100.0
674.34729	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	673.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03753	0.2
57.03297	0.3
59.01253	2.0
70.91793	0.6
71.01251	1.2
73.02832	0.3
77.66811	0.2
80.02552	0.7
81.03321	0.8
83.01245	0.3
83.04455	0.4
83.04896	3.6
84.02034	0.4
85.02824	0.3
87.00759	0.3
89.02308	0.9
93.15005	0.2
95.04900	0.5
101.02312	1.5
106.93129	0.2
111.15804	0.2
113.02349	0.6
119.03394	0.3
125.05955	0.2
125.09591	0.4
127.11173	0.2
135.08055	0.5
147.11691	0.3
161.04451	0.6
163.11168	2.5
165.12766	1.7
171.10204	2.7
181.12238	0.4
185.21544	0.2
191.10703	0.6
209.11769	100.0
210.12112	6.2
221.11815	0.6
227.12839	13.0
228.13210	0.8
235.08197	1.6
247.13374	1.5
253.09261	6.2
254.09665	0.2
259.18896	0.2
265.14502	0.4
349.91449	0.2
401.23276	0.5
419.24384	0.3
427.01440	0.2
445.20743	0.5
611.31152	0.3
637.32513	0.8
655.33624	0.3
673.34430	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70288	0.8
55.01758	1.1
57.03316	0.9
59.01251	8.3
61.98679	1.0
71.00301	2.0
71.01254	15.0
73.02814	1.8
78.91914	1.0
82.33969	1.1
83.01256	1.2
83.04860	2.1
85.02832	2.6
87.00751	1.8
89.02316	2.9
95.04926	1.2
98.20482	1.1
101.02320	5.0
109.06473	2.1
113.02315	2.7
114.05831	1.1
137.24832	1.1
163.11128	2.6
165.12775	11.6
171.10167	6.1
181.12236	1.2
183.13832	100.0
183.85568	1.1
184.14122	6.3
199.09680	1.2
199.13354	7.0
201.11241	3.6
207.10196	3.3
209.11783	39.8
210.12134	1.8
211.13371	20.2
215.12802	1.3
225.11281	6.0
227.12851	26.0
235.08173	4.1
253.09319	6.1
260.60678	1.0
261.76468	1.1
401.22858	1.3
437.25601	1.2
445.20523	3.0
463.22018	8.0
629.35724	4.8
637.32147	1.8
655.33447	7.8
656.33270	1.2
673.34375	54.7
674.34735	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	673.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	4.7
60.04477	0.8
61.19400	0.7
64.58080	0.7
65.00181	0.7
67.01762	2.4
69.03337	1.9
69.46339	3.5
69.46778	2.6
71.01244	3.1
79.01768	2.4
81.03335	0.8
83.01245	1.1
85.02846	1.6
89.02261	0.7
95.01273	7.4
97.02822	2.4
101.02320	1.7
107.01274	6.1
108.02081	1.2
109.02859	1.6
109.99995	1.2
111.00780	4.2
113.02354	1.1
117.87170	0.7
121.02809	0.8
123.00769	35.3
124.01575	2.0
125.02341	31.9
127.00260	1.8
136.98691	3.4
137.02318	1.1
139.00279	9.5
139.03909	1.6
140.01074	7.1
141.01855	4.9
149.05972	1.2
150.06760	5.7
151.00288	7.2
152.01071	0.8
153.01849	1.4
164.08298	1.4
165.01830	1.6
166.99786	11.3
167.03464	0.9
168.00568	9.0
169.01338	35.0
170.01752	1.6
179.10730	4.6
181.01373	0.9
181.48764	0.7
183.02888	2.7
193.01363	4.3
195.02916	1.3
198.88721	0.7
209.11807	2.1
211.02425	15.1
212.02872	0.8
271.04614	6.9
293.08276	1.3
304.60931	0.7
311.09308	1.6
313.05676	3.5
313.10736	0.8
326.11667	4.2
327.12323	5.8
461.12692	1.1
463.10464	3.7
465.06091	1.0
478.12674	18.6
479.13107	3.0
483.07877	12.0
484.08093	1.3
493.15039	100.0
494.15399	16.4
495.53796	0.7
496.33881	1.6
510.35596	1.2
511.36478	13.9
512.36511	1.0
521.20447	1.3
558.40631	0.8
600.04846	0.8
673.21320	27.6
673.34424	30.6
674.21558	4.4
674.34576	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	673.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68633	1.6
57.28932	1.4
59.01255	7.1
62.76502	1.5
65.00204	1.9
67.01775	3.1
70.14190	3.3
70.14586	3.2
71.01262	8.0
72.99185	2.2
77.48609	1.4
79.01769	3.2
83.01264	3.9
85.02836	4.4
87.00812	1.5
89.02338	2.6
95.01276	9.4
96.95869	1.5
97.02826	1.8
99.00819	1.5
101.02301	4.3
105.37169	1.3
107.01271	16.2
109.02893	2.2
111.00776	10.9
113.02345	3.5
121.02843	3.8
123.00770	55.2
124.01528	6.4
125.02342	52.7
125.03254	3.3
126.02630	2.2
127.00240	3.3
135.04399	1.5
136.98688	7.9
137.02370	1.7
138.37907	1.4
139.00281	15.0
139.03851	3.3
140.01071	16.2
141.01862	6.9
149.02348	1.6
151.00262	18.3
153.01898	1.9
154.99820	1.6
166.99771	5.5
168.00558	19.6
169.01341	56.1
170.01648	2.3
179.03412	2.3
183.02934	7.0
211.02460	17.7
255.06415	1.6
268.07480	2.7
269.08209	3.0
271.04562	11.4
272.04971	2.0
281.08176	4.2
299.98843	1.5
300.10110	1.6
301.00253	2.0
313.05457	1.5
314.11536	2.8
315.12387	4.5
326.11569	2.7
327.12369	4.2
329.13953	3.5
331.06866	2.2
341.14096	2.5
390.84314	1.8
459.16229	1.7
461.14508	1.7
462.15479	3.1
476.16708	2.7
477.17743	14.2
489.17981	2.0
491.19211	5.1
521.19977	5.6
537.16229	4.0
640.17096	2.0
643.20306	100.0
644.20679	20.1
655.20386	47.4
655.29047	1.1
656.20966	9.7
673.21338	61.7
674.21606	13.9
683.52063	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28074	0.9
58.08291	0.7
59.01250	2.3
62.69075	0.7
64.68102	0.8
66.86095	0.8
67.01765	2.1
67.55470	0.8
68.99670	0.7
69.03329	1.6
71.01258	4.4
73.02815	1.1
74.55701	0.7
76.82236	0.8
76.82733	0.8
78.95768	0.9
79.01759	1.3
80.48306	0.7
83.01273	1.3
85.02820	1.3
93.61635	0.8
95.01300	1.8
97.02827	2.1
98.20590	3.1
101.02328	1.3
107.01273	13.1
111.00753	3.7
113.02338	1.3
120.98497	0.7
121.02827	1.9
123.00783	15.1
124.01525	1.6
125.02342	67.2
126.02654	1.7
127.00302	1.1
135.04401	4.2
136.98685	1.7
137.02330	1.0
137.94194	0.9
139.00267	5.2
139.03966	1.0
140.01048	3.0
141.01868	1.9
147.04298	1.0
149.02350	1.0
151.00290	9.8
151.03883	0.8
153.01900	0.9
154.99800	0.8
161.02351	1.3
165.01804	1.1
166.99783	1.2
168.00610	4.2
169.01341	72.9
170.01674	2.2
179.03435	2.4
181.01460	1.1
183.02892	2.5
193.01442	1.5
211.02431	1.7
259.14462	0.9
269.08167	3.7
269.10779	0.9
281.08014	0.8
283.09753	1.7
297.06198	1.0
299.09314	3.1
300.99768	1.4
311.09106	5.6
312.09869	0.8
313.05679	21.9
314.11566	4.3
326.11673	3.6
327.12250	1.4
329.06631	1.7
329.13889	3.4
335.07751	1.9
341.13916	1.3
345.13351	1.0
650.75500	0.8
673.21350	100.0
674.21680	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	673.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.7
59.01248	6.3
67.01737	1.4
68.99642	0.7
69.03303	1.2
69.32159	2.0
69.32584	3.4
71.01258	5.9
72.99179	1.4
73.02810	0.9
79.01752	1.4
83.01245	1.5
85.02818	1.7
85.92100	0.5
87.00718	1.4
89.02312	2.8
95.01256	3.7
96.95872	1.0
97.02824	1.8
98.20586	1.2
99.00793	0.6
101.02297	3.1
107.01275	6.8
108.02082	0.6
108.66693	0.5
109.02866	2.6
109.99972	0.8
111.00768	4.5
113.02313	1.7
119.03346	0.9
123.00776	23.8
123.04387	0.6
124.01525	2.1
125.01447	1.3
125.02348	24.5
126.02697	0.8
127.00241	1.8
135.04413	0.6
136.98715	2.9
139.00276	7.1
139.03885	1.1
140.01060	6.4
141.01808	2.1
145.02905	0.8
151.00264	9.5
152.38644	0.6
153.01842	0.7
154.99725	0.8
159.04359	1.2
159.06413	0.6
161.02248	0.8
163.00208	0.6
164.00978	0.6
165.05385	1.1
166.02599	1.5
166.99756	1.9
167.03506	0.5
168.00557	11.7
169.01340	29.3
170.01665	1.4
173.06067	0.6
177.03941	0.6
179.03508	1.0
181.04973	2.2
183.03049	2.7
189.05484	0.7
193.01306	0.6
202.42886	0.7
211.02414	5.8
214.99803	0.7
239.24785	0.6
241.05127	1.2
255.06808	0.7
266.05609	0.8
271.02277	0.7
271.04663	6.6
272.04965	0.7
280.07318	0.8
281.08078	0.9
285.06293	0.6
295.09857	0.9
297.06052	1.4
299.09137	1.9
301.00110	2.7
302.00427	0.6
311.09201	2.5
312.09833	0.8
313.05576	0.8
313.10764	1.5
323.44110	0.8
327.12408	1.5
344.12631	2.6
345.13315	2.2
356.55609	0.6
359.14929	5.2
507.18713	2.6
521.20374	0.9
673.21350	100.0
674.21729	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	672.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	13.1
60.04067	9.0
65.34258	10.3
71.01257	24.5
77.34933	10.2
95.01259	13.8
107.01266	22.5
107.71509	9.9
109.02833	22.3
111.00764	23.6
116.51907	10.3
121.02813	13.6
123.00781	25.1
125.02319	92.1
130.53351	9.6
135.00795	12.4
137.02368	21.8
139.00272	23.7
149.02370	17.1
151.00230	47.4
162.01912	20.6
163.00282	27.1
164.03371	26.6
166.99762	44.1
168.00537	18.0
169.01326	95.5
176.01224	9.7
177.01904	59.9
178.99788	23.0
183.92696	10.8
186.01897	11.7
190.01361	53.2
191.02119	27.9
192.00566	29.7
204.02969	62.1
205.01266	12.4
208.02420	42.7
211.02371	34.2
214.01396	17.1
227.03450	13.1
229.64091	15.4
243.02936	15.6
255.02921	28.3
271.02136	59.4
271.04669	40.0
272.03043	12.1
285.04056	17.4
294.04053	26.4
295.02118	12.9
299.01825	52.2
300.02600	88.8
301.00089	25.7
301.03485	38.5
310.03485	16.1
322.03540	100.0
329.08716	12.5
331.06815	18.8
339.03601	50.6
340.04535	83.7
355.06693	25.2
377.78387	12.4
410.07202	37.0
463.08752	49.1
502.09915	60.1
507.08063	19.1
520.10840	23.1
527.08063	14.4
536.10510	48.6
562.08429	18.3
654.10962	89.7
655.10931	13.8
672.12000	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	672.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31462	5.4
59.01253	13.6
61.95267	6.6
65.00172	6.3
65.99718	7.5
71.01266	12.6
71.57515	9.3
83.01267	11.8
95.01298	8.1
96.94437	7.0
101.02311	10.9
107.01254	24.0
109.02842	18.9
111.00792	12.4
121.02889	8.7
123.00754	16.9
125.02342	67.8
134.02367	12.1
137.02348	22.6
139.00270	12.9
141.01796	10.2
146.02339	7.8
149.02335	15.9
151.00241	40.9
161.02318	12.2
161.27567	7.5
162.01923	14.9
163.00313	8.2
163.02545	7.2
164.03284	9.6
166.99774	23.7
169.01338	70.7
175.00314	11.3
177.01872	51.4
178.99823	24.2
190.01376	33.2
190.99797	11.9
191.02161	21.9
202.99788	11.9
204.02919	30.2
208.02377	45.1
211.02441	25.3
217.05167	6.5
243.03011	12.5
252.72040	7.3
255.02937	21.0
271.02112	49.2
271.04703	28.9
272.02856	8.2
283.02658	8.9
294.04156	19.2
295.02429	9.7
299.01987	37.2
300.02722	59.2
300.99866	9.7
301.03439	22.5
310.03589	12.4
313.03235	11.6
316.02048	9.1
322.03604	71.8
331.06766	12.1
339.03854	37.1
340.04587	74.2
341.05090	9.4
355.06689	9.0
355.31335	6.7
357.04449	9.0
410.07239	23.8
463.08951	50.3
489.06750	13.6
502.09842	62.6
503.10373	8.6
507.07846	15.1
520.10712	23.9
536.10199	55.6
562.08228	11.4
593.01624	8.0
614.09381	7.4
643.51294	7.1
645.10608	6.7
654.10876	100.0
655.11420	20.9
672.11078	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16614	1.7
50.79443	2.1
93.71541	1.7
95.01267	2.4
109.02832	3.3
120.00756	2.4
123.00726	4.2
125.02315	6.0
137.02330	5.2
145.02882	4.2
148.00316	6.8
154.98708	1.7
159.04424	2.8
161.02367	2.8
163.00328	6.1
165.01799	3.3
169.01360	7.9
169.09270	2.0
171.04572	2.1
173.02344	2.9
174.03026	2.1
175.03859	3.6
177.01808	2.0
185.02365	3.7
187.03821	3.1
189.01852	4.5
191.03369	4.6
199.03981	2.4
201.01862	6.9
203.03514	4.1
208.00478	1.8
208.02382	5.5
209.00974	5.2
213.01999	2.6
215.03355	2.0
217.01372	6.5
228.00581	2.5
229.01337	13.0
230.02151	2.6
230.54742	2.9
231.02922	3.7
243.02948	4.7
244.00168	2.3
245.00856	14.2
247.02481	16.3
257.00937	7.6
258.01715	2.9
268.02756	2.2
270.04187	2.6
273.00418	14.1
274.01117	8.8
275.01950	16.8
283.99429	3.2
285.00427	2.8
291.01382	2.6
297.00360	5.0
299.99066	14.1
300.99887	100.0
302.00201	6.1
312.99802	6.0
314.03110	4.5
324.01556	5.9
340.00931	11.2
453.06387	3.0
463.05057	16.7
520.07635	2.7
605.07916	11.3
614.05658	2.8
628.09613	3.5
632.06281	26.8
633.06604	2.5
654.06726	5.5
672.08362	26.4
673.08221	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	671.4016
Annotation	Guineamide D
Peak:m/z	Relative Intensity
57.03326	1.6
58.27559	0.6
59.01254	5.4
60.29590	0.8
61.98703	0.8
66.82906	0.7
67.94957	0.7
69.39468	1.7
69.39869	5.0
71.01254	3.8
72.77418	0.6
81.03355	0.9
81.69272	0.6
83.01246	0.9
83.04913	2.2
85.02838	1.9
89.02348	2.0
97.02845	1.8
97.06467	0.8
99.04411	0.7
101.02335	3.1
107.01274	0.8
109.06487	5.2
111.04423	0.9
112.68510	0.6
113.02376	1.2
119.03406	1.3
121.02908	2.1
121.06470	0.6
123.00820	1.8
125.02342	2.2
125.09624	1.1
133.89532	0.7
135.08066	1.8
137.09528	1.0
149.06010	5.6
150.06776	39.6
151.00317	1.5
151.07150	2.0
155.10754	0.7
155.20624	0.7
161.04469	1.1
161.09639	2.1
162.06810	1.3
163.07538	7.7
163.11226	4.3
164.08351	6.3
165.01892	0.9
169.01399	2.0
171.10240	2.1
176.08363	2.2
177.09158	1.0
178.09947	2.9
179.05659	0.8
179.10707	13.4
181.12318	1.6
189.09230	1.2
199.13333	0.9
201.11305	0.8
207.10207	15.8
209.11771	29.8
210.12202	1.8
223.13364	0.9
225.11299	19.0
226.11568	1.4
227.12907	5.2
235.08279	2.2
235.13580	0.7
253.09267	4.5
265.21890	0.9
271.02448	1.7
300.02664	1.9
301.00397	1.0
301.03510	4.8
327.25754	1.1
329.23257	4.7
357.26566	1.0
399.21854	1.3
417.22922	1.3
430.31131	1.3
443.19562	1.4
445.33392	0.8
448.31842	8.1
461.20276	4.4
462.33463	1.3
463.34354	9.7
464.34683	1.7
490.33185	2.2
491.33942	2.9
492.34854	0.9
508.34344	2.4
509.34961	27.1
510.35440	3.2
545.71997	0.7
635.30920	2.3
648.03687	0.7
653.32013	3.0
671.40533	100.0
672.40875	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	671.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.6
58.27559	0.6
59.01254	5.4
60.29590	0.8
61.98703	0.8
66.82906	0.7
67.94957	0.7
69.39468	1.7
69.39869	5.0
71.01254	3.8
72.77418	0.6
81.03355	0.9
81.69272	0.6
83.01246	0.9
83.04913	2.2
85.02838	1.9
89.02348	2.0
97.02845	1.8
97.06467	0.8
99.04411	0.7
101.02335	3.1
107.01274	0.8
109.06487	5.2
111.04423	0.9
112.68510	0.6
113.02376	1.2
119.03406	1.3
121.02908	2.1
121.06470	0.6
123.00820	1.8
125.02342	2.2
125.09624	1.1
133.89532	0.7
135.08066	1.8
137.09528	1.0
149.06010	5.6
150.06776	39.6
151.00317	1.5
151.07150	2.0
155.10754	0.7
155.20624	0.7
161.04469	1.1
161.09639	2.1
162.06810	1.3
163.07538	7.7
163.11226	4.3
164.08351	6.3
165.01892	0.9
169.01399	2.0
171.10240	2.1
176.08363	2.2
177.09158	1.0
178.09947	2.9
179.05659	0.8
179.10707	13.4
181.12318	1.6
189.09230	1.2
199.13333	0.9
201.11305	0.8
207.10207	15.8
209.11771	29.8
210.12202	1.8
223.13364	0.9
225.11299	19.0
226.11568	1.4
227.12907	5.2
235.08279	2.2
235.13580	0.7
253.09267	4.5
265.21890	0.9
271.02448	1.7
300.02664	1.9
301.00397	1.0
301.03510	4.8
327.25754	1.1
329.23257	4.7
357.26566	1.0
399.21854	1.3
417.22922	1.3
430.31131	1.3
443.19562	1.4
445.33392	0.8
448.31842	8.1
461.20276	4.4
462.33463	1.3
463.34354	9.7
464.34683	1.7
490.33185	2.2
491.33942	2.9
492.34854	0.9
508.34344	2.4
509.34961	27.1
510.35440	3.2
545.71997	0.7
635.30920	2.3
648.03687	0.7
653.32013	3.0
671.40533	100.0
672.40875	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	671.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44632	0.6
57.03325	0.6
59.01250	11.5
65.03838	0.9
70.95711	0.5
71.01252	6.3
71.44608	0.7
72.99173	0.8
73.02839	2.0
80.02570	2.3
81.03334	3.6
82.93143	0.5
83.01270	0.6
83.04892	7.6
83.29885	0.6
84.02037	1.2
84.18012	0.6
85.02829	2.2
86.03763	0.5
87.00758	1.3
89.02319	3.8
93.03336	1.6
95.01286	0.9
95.04902	1.5
97.02826	5.2
97.06479	1.1
99.00759	1.4
101.02326	5.4
107.04896	1.2
109.02831	0.6
109.05721	1.0
109.06477	20.0
110.03615	1.4
110.06812	1.0
111.04410	1.1
113.02306	3.4
117.04813	0.5
119.03411	1.2
121.06470	1.5
125.02367	1.1
125.05984	1.1
125.09611	2.5
133.04893	0.6
135.08073	2.7
136.05247	0.8
142.02597	1.2
143.03430	0.8
145.04933	0.6
145.10158	1.0
161.04474	2.0
161.09639	1.6
163.11203	18.7
164.11519	0.8
165.12766	2.9
169.01407	0.7
171.10141	5.5
181.12279	4.0
185.11775	2.9
187.09718	0.5
189.09184	1.7
191.10718	1.5
201.11208	1.5
205.12210	0.7
207.10214	57.6
208.10567	2.6
209.11772	100.0
210.12083	4.9
211.13390	1.4
217.12363	0.7
221.11769	0.7
223.13364	1.4
225.11269	29.0
226.11652	2.0
227.12860	13.0
228.13150	1.2
231.10228	1.6
235.08133	2.7
235.13344	1.0
245.11874	0.9
247.13374	1.4
249.11264	1.9
253.09293	10.4
263.13080	1.5
265.14481	0.7
299.15030	0.8
315.13416	0.8
373.23712	0.9
375.28860	0.7
381.20694	0.9
393.29922	1.7
399.21722	6.8
405.17944	0.8
405.30536	0.9
417.22745	5.4
435.23755	1.0
443.19318	3.0
449.32712	2.3
461.20251	9.7
462.20590	1.1
485.20020	0.8
491.26810	0.7
499.22009	1.1
627.30377	1.0
635.30579	6.5
636.30707	2.0
653.31720	12.5
654.32050	2.7
671.32697	19.1
672.33466	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	671.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	8.1
60.20725	0.5
65.36456	0.5
70.35490	0.8
70.35870	0.9
71.01251	4.4
73.02811	1.7
80.02533	1.9
81.03320	3.9
83.01241	0.9
83.04900	6.6
84.02032	1.1
85.02829	2.0
87.00760	0.8
89.02313	2.9
93.03339	2.0
95.01277	0.8
95.04884	1.5
97.02838	5.1
97.06474	0.6
99.00762	1.1
99.61729	0.5
101.02326	5.3
106.04122	0.8
107.04880	1.0
109.02879	0.5
109.06473	19.9
110.03637	1.6
110.06808	0.9
111.04382	1.2
113.02344	3.0
113.62397	0.6
119.03448	1.1
121.06462	1.5
123.08021	0.9
125.09616	2.4
133.04961	0.7
135.08073	3.4
136.05186	1.5
137.45734	0.5
142.02544	0.6
145.04944	0.9
161.04449	1.4
161.09612	1.2
163.11197	16.1
164.11543	0.7
165.12766	2.1
171.10178	3.8
179.05692	0.6
181.12283	2.7
185.11829	2.4
187.09721	0.9
189.09114	1.7
191.10747	1.0
201.11200	1.4
207.10197	58.7
208.10561	3.7
209.11763	100.0
210.12144	5.6
217.12306	1.3
221.11797	0.9
223.13280	0.9
225.11273	25.2
226.11626	1.5
227.12839	13.8
228.13051	0.9
231.10229	1.6
235.08244	4.1
235.13260	1.3
243.12195	0.7
245.11696	1.1
247.13353	1.4
249.11256	1.8
253.09267	10.4
263.12875	1.8
265.14291	0.9
299.14905	0.9
308.06775	0.6
324.85367	0.6
381.20639	0.8
391.25052	0.6
399.21756	7.6
400.21869	1.2
405.17148	0.7
417.22855	6.6
418.23026	0.7
435.23645	1.6
443.19156	3.0
445.20642	0.6
461.20279	9.8
462.20560	1.4
627.30762	0.9
635.30615	8.5
636.31232	2.1
653.31793	13.0
654.31897	2.5
671.32813	20.4
672.32837	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	671.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.0
57.03323	0.5
59.01251	8.8
59.72116	0.5
63.76151	0.5
65.03844	0.7
69.03339	0.9
69.40485	5.6
71.01241	5.0
73.02827	1.1
80.02558	2.1
81.03340	2.4
83.01270	1.6
83.04897	6.2
84.02076	0.7
85.02834	2.0
87.00755	2.0
89.02321	3.5
93.03346	1.6
95.04895	1.6
97.02834	5.6
97.06470	0.9
99.00770	1.3
101.02325	5.2
107.04897	0.8
109.02830	1.0
109.06478	18.0
109.92928	0.5
110.03603	1.6
111.04433	1.5
113.02346	3.1
119.03416	1.0
121.06489	1.1
122.85924	0.6
123.08076	0.8
125.02322	1.1
125.09619	2.1
135.08066	2.6
139.97189	0.6
142.02599	0.6
145.04932	1.0
161.04495	1.9
161.09676	1.4
163.11197	15.1
164.11476	0.8
165.12730	2.4
169.01381	1.2
171.08907	0.9
171.10188	7.7
179.10622	0.5
181.12262	3.3
185.11729	2.5
189.09172	1.1
191.10666	1.6
192.04974	0.5
201.11258	3.7
207.10201	53.4
208.10562	2.7
209.11771	100.0
210.12086	5.8
217.12236	0.9
221.11661	0.8
223.09796	0.6
223.13397	1.9
225.11278	30.7
226.11504	1.8
227.10738	1.0
227.12845	12.2
228.13249	1.2
231.10208	1.2
233.11569	1.3
235.08153	3.7
235.13434	1.1
245.11795	0.7
247.13312	1.4
249.11238	1.4
251.12906	0.7
253.09277	10.2
263.12891	1.9
265.14395	1.0
273.28787	0.7
299.14914	1.0
381.21133	0.6
389.23471	0.8
399.21918	5.0
403.64713	0.6
405.17139	0.7
417.22720	5.0
435.23837	1.0
443.19205	3.2
461.20276	10.6
462.20605	0.8
485.20416	1.0
491.26550	0.9
499.21478	0.7
523.54694	0.6
625.32153	0.7
627.29944	1.0
635.30762	8.5
636.30695	1.6
653.31647	13.3
654.32019	2.4
671.32745	23.1
672.33301	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	671.329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.6
59.01254	3.4
61.98682	0.7
67.01755	1.6
67.82930	0.6
68.17741	0.6
68.99718	0.6
69.03334	1.2
69.34351	6.0
71.01263	3.5
72.99170	0.8
73.02821	1.1
75.58401	0.5
79.01800	1.3
83.01258	1.1
85.02814	2.4
87.00733	1.0
89.02316	1.2
95.01278	4.0
96.95906	0.7
97.02834	1.5
98.19873	1.3
101.02310	2.7
107.01277	5.7
108.02079	0.9
109.02819	0.9
111.00774	3.5
113.02332	1.9
119.03322	0.8
123.00775	23.7
124.01542	1.2
125.02349	24.0
127.00255	1.3
136.98688	1.9
137.02284	0.7
139.00281	5.6
140.01042	4.9
141.01816	2.7
150.06767	6.4
151.00275	12.9
152.00734	0.9
153.01796	2.4
161.04462	0.9
163.03970	1.0
164.08302	1.3
168.00574	4.5
169.01346	31.4
170.01653	0.8
179.10728	3.9
181.04890	0.7
195.56665	0.7
207.10219	1.8
209.11754	4.5
223.02541	0.6
225.11340	3.0
285.03879	0.7
300.99756	1.0
313.05698	1.3
365.72528	0.6
494.32446	0.9
509.34775	9.0
510.35168	1.0
541.85187	0.7
641.32025	2.5
671.32837	100.0
672.33179	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.3
62.43034	0.5
63.58957	0.5
67.01766	1.7
68.99697	0.6
69.03327	1.2
71.01264	4.6
71.58166	1.0
79.01758	2.1
83.01254	1.1
85.02834	2.3
86.84546	0.6
87.00770	0.8
89.02313	1.0
95.01261	2.6
96.95911	3.2
97.02848	1.7
98.95464	1.0
99.00739	0.6
101.02328	1.8
104.83704	0.8
107.01273	11.1
108.02071	0.7
109.02847	1.9
111.00748	3.1
113.02348	1.5
121.02852	1.4
123.00775	16.5
123.04460	1.2
124.01581	2.5
125.02345	63.4
125.36627	0.6
126.02654	1.7
127.00286	0.9
135.04405	1.1
136.01570	8.4
136.98756	1.3
137.02376	3.5
139.00266	4.8
139.03903	1.2
140.01071	3.7
141.01820	2.0
149.02341	1.0
150.03094	1.1
151.00288	8.0
151.03925	8.8
153.01793	1.0
153.14464	0.5
161.02350	1.2
163.03899	1.1
165.01855	0.6
166.99747	1.6
167.03423	0.8
168.00554	5.5
169.01350	71.6
170.01697	2.2
175.03943	1.2
177.01878	1.0
177.05504	0.7
179.03415	0.6
181.05011	1.3
183.02914	3.6
183.11121	0.7
193.01334	1.3
195.03001	0.7
202.99797	0.9
211.02437	7.7
214.89949	0.7
215.57553	0.6
216.00691	0.9
219.02962	1.5
234.05240	1.0
234.65834	0.7
241.03461	0.9
249.07759	0.7
255.02946	0.7
270.98895	1.2
271.04602	7.1
279.06320	1.0
279.09039	1.0
294.09088	0.7
297.06433	0.7
298.98361	1.1
300.99973	1.7
313.05682	17.5
313.10895	0.8
314.06293	0.7
323.02319	0.6
327.07266	1.9
327.12436	1.1
331.06711	1.1
342.11063	2.0
343.11722	1.0
353.02982	1.5
357.13623	1.3
375.27246	0.7
385.05759	1.8
442.75833	0.8
447.14420	1.1
491.13263	4.1
508.09995	0.9
519.18628	5.3
520.18842	0.9
547.11035	1.8
593.01630	0.6
671.19879	100.0
672.20306	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	671.1981
Annotation	(+)-Pinoresinol 4-O-(6''-O-galloyl)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
58.25686	0.8
59.01236	2.4
59.64777	0.7
66.07548	0.7
67.01746	1.2
68.99690	0.9
69.03308	1.7
69.60757	1.8
69.61163	4.8
71.01257	4.3
73.02816	1.8
79.01771	1.3
81.03321	1.1
85.02826	3.0
86.30774	0.7
87.00739	1.1
95.01247	3.1
96.95905	1.1
99.00731	1.1
101.02341	1.5
107.01276	14.5
108.26796	0.8
109.02848	1.4
111.00758	2.4
113.02310	1.8
121.02837	1.0
123.00771	19.0
124.01550	2.7
125.02343	68.3
126.02690	2.0
127.00257	1.2
135.04416	0.9
136.00641	1.2
136.01556	12.2
136.98726	2.7
137.02332	1.6
139.00252	5.5
139.03885	2.1
140.01044	3.9
141.01797	2.0
143.33679	0.9
151.00279	10.0
151.03917	13.3
161.21539	0.9
163.03731	1.2
166.99814	1.8
167.03416	0.9
168.00560	4.7
168.89696	0.8
169.01341	85.8
169.08713	0.8
170.01680	2.0
175.04030	0.8
176.04678	1.3
177.02003	0.7
179.03418	0.9
183.02911	5.3
193.01410	1.3
211.02382	1.5
241.03569	2.0
270.98911	1.6
297.06168	1.7
298.98267	2.0
299.99094	1.4
300.99796	3.1
301.02963	0.9
312.10138	0.9
313.02292	1.5
313.05658	19.5
313.10907	1.5
314.05875	1.6
327.07141	1.6
327.12302	2.0
343.11679	1.1
357.13287	0.9
416.16174	0.9
477.08038	1.1
671.19879	100.0
672.20190	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	669.386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.1
57.37568	1.0
59.01253	19.4
61.98707	3.7
69.03320	1.8
71.01253	13.3
72.18008	1.1
72.99171	1.5
73.02828	2.4
83.01254	2.1
83.04906	1.1
85.02837	4.4
87.00755	2.9
87.04394	3.2
89.02300	7.6
90.00025	1.1
94.18840	1.0
95.01292	2.1
96.95905	2.1
97.02844	2.3
97.06502	3.1
101.02319	8.3
105.05958	1.1
107.01257	1.2
107.04923	1.8
109.02844	1.3
109.06474	3.3
111.00835	1.1
111.04453	1.7
113.02316	5.5
116.92792	1.1
119.03409	3.9
125.02332	4.5
125.09644	2.9
135.08087	2.4
139.07599	1.7
143.03377	1.3
149.05972	6.5
150.06769	49.3
150.07990	2.5
151.07153	3.3
151.11275	1.2
161.02443	1.1
161.04486	2.2
161.09602	1.4
162.06778	1.6
163.07558	13.1
163.11238	2.6
164.08356	7.2
165.01785	1.2
165.05447	1.3
169.01369	5.1
171.10242	1.1
176.08267	1.5
177.09160	1.1
178.09956	3.4
179.05557	2.1
179.10692	15.9
181.12219	1.4
193.04578	1.2
207.10289	7.8
209.11772	8.9
223.09749	3.4
225.11290	8.4
227.12856	2.1
253.09378	2.0
255.23190	1.4
301.00070	1.4
327.21811	6.4
328.22141	1.2
357.26385	2.3
373.26205	1.8
415.21225	2.4
443.32254	1.4
446.30496	7.4
447.31284	2.2
460.31635	1.4
461.20227	2.0
461.32834	8.2
462.33710	1.3
487.40826	1.2
489.32544	4.1
506.32614	5.2
507.33228	30.6
508.33740	4.4
625.28302	1.8
633.29553	1.6
651.30164	6.7
652.31030	1.7
669.39075	100.0
670.39508	17.6
696.70605	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.1
57.37568	1.0
59.01253	19.4
61.98707	3.7
69.03320	1.8
71.01253	13.3
72.18008	1.1
72.99171	1.5
73.02828	2.4
83.01254	2.1
83.04906	1.1
85.02837	4.4
87.00755	2.9
87.04394	3.2
89.02300	7.6
90.00025	1.1
94.18840	1.0
95.01292	2.1
96.95905	2.1
97.02844	2.3
97.06502	3.1
101.02319	8.3
105.05958	1.1
107.01257	1.2
107.04923	1.8
109.02844	1.3
109.06474	3.3
111.00835	1.1
111.04453	1.7
113.02316	5.5
116.92792	1.1
119.03409	3.9
125.02332	4.5
125.09644	2.9
135.08087	2.4
139.07599	1.7
143.03377	1.3
149.05972	6.5
150.06769	49.3
150.07990	2.5
151.07153	3.3
151.11275	1.2
161.02443	1.1
161.04486	2.2
161.09602	1.4
162.06778	1.6
163.07558	13.1
163.11238	2.6
164.08356	7.2
165.01785	1.2
165.05447	1.3
169.01369	5.1
171.10242	1.1
176.08267	1.5
177.09160	1.1
178.09956	3.4
179.05557	2.1
179.10692	15.9
181.12219	1.4
193.04578	1.2
207.10289	7.8
209.11772	8.9
223.09749	3.4
225.11290	8.4
227.12856	2.1
253.09378	2.0
255.23190	1.4
301.00070	1.4
327.21811	6.4
328.22141	1.2
357.26385	2.3
373.26205	1.8
415.21225	2.4
443.32254	1.4
446.30496	7.4
447.31284	2.2
460.31635	1.4
461.20227	2.0
461.32834	8.2
462.33710	1.3
487.40826	1.2
489.32544	4.1
506.32614	5.2
507.33228	30.6
508.33740	4.4
625.28302	1.8
633.29553	1.6
651.30164	6.7
652.31030	1.7
669.39075	100.0
670.39508	17.6
696.70605	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3855
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
53.78771	0.5
57.03334	1.0
59.01257	3.4
61.98711	1.0
69.24689	0.5
69.87117	2.7
71.01244	2.0
73.02833	0.6
74.12966	0.5
79.01799	0.6
80.63316	0.5
85.02831	1.8
87.00762	1.3
89.02322	1.1
95.01280	0.7
99.04403	1.0
101.02331	1.5
105.89489	0.6
107.01286	1.6
109.06458	0.7
113.02338	1.5
116.92767	1.3
117.03319	0.8
119.03378	0.5
123.00758	3.3
125.02342	6.3
125.09612	0.7
129.67812	0.5
130.79401	0.5
135.04402	0.7
135.08107	0.5
137.09685	0.5
139.00336	0.7
145.02814	1.3
149.05992	6.8
150.06770	52.4
151.00287	1.6
151.07077	2.6
153.09109	0.8
157.08633	0.7
161.09590	0.8
162.06729	0.6
162.56305	0.6
163.07549	10.8
164.08334	8.5
165.08734	0.6
169.01332	7.8
171.10245	1.2
176.08391	1.7
177.09123	0.9
178.09854	3.0
179.10709	18.1
190.60324	0.6
207.10234	1.0
209.11810	2.1
225.11317	1.5
263.20148	0.6
279.23438	0.8
281.21335	0.9
303.74777	0.5
313.05743	0.6
325.23807	1.3
327.21765	7.8
355.25006	1.7
364.22772	0.7
409.23993	0.5
415.47971	0.8
428.29721	0.7
443.31863	1.4
445.33582	0.9
446.30356	9.5
447.30798	1.3
460.32272	1.5
461.32697	9.3
462.33450	1.7
488.31683	1.5
489.31805	3.1
506.32343	3.0
507.33215	33.7
508.33560	4.9
517.30646	1.2
549.34552	1.1
651.30585	1.0
669.38989	100.0
670.39392	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	669.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59072	0.3
57.03308	1.0
59.00988	0.5
59.01256	6.3
60.54511	0.4
63.56507	0.4
64.55246	0.3
69.03327	2.5
70.89871	0.9
71.01259	4.0
71.04884	0.5
73.02849	0.6
74.92361	0.4
80.02547	0.9
81.03331	1.2
83.01235	0.4
83.04890	5.0
84.02019	0.7
85.02824	1.0
85.06458	0.7
87.00742	0.8
87.60867	0.3
89.02306	3.3
89.21459	0.5
93.03436	0.3
95.01318	0.4
95.04899	1.3
97.06518	0.4
99.00714	0.5
101.02317	4.2
109.06470	0.7
113.02318	1.9
119.03435	0.6
125.09568	0.7
131.03387	0.4
135.08057	0.5
136.18242	0.4
145.04927	0.9
149.09602	0.8
161.04448	1.1
163.11174	3.1
165.12880	1.8
167.10672	3.1
169.12242	0.4
171.10222	2.6
177.12694	0.9
179.05563	0.5
179.10674	1.1
179.14330	3.3
191.10648	1.6
195.13840	10.7
196.14035	0.8
197.11769	0.5
205.12280	10.9
209.11768	85.7
210.12143	5.3
223.13347	100.0
224.13704	6.0
227.12848	13.4
227.15105	0.6
228.13152	1.1
235.08203	3.4
253.09258	10.8
254.09641	0.5
261.14981	2.8
371.50861	0.4
433.26447	0.5
441.21243	1.0
445.20694	0.9
459.22333	8.8
459.28662	0.6
460.22617	1.0
633.32404	0.8
651.33606	0.8
669.33911	0.5
676.54956	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28962	1.6
55.06115	1.4
57.03326	4.1
59.01249	30.8
62.39519	1.7
69.03326	3.1
71.01251	23.9
71.14655	2.2
71.14996	3.4
72.99184	4.3
73.02808	4.9
80.02542	3.4
81.03339	6.6
83.01256	4.1
83.04894	8.1
84.67848	1.7
85.02843	7.0
87.00758	5.7
89.02321	12.4
93.03356	2.3
95.01274	3.6
95.04910	5.3
97.02847	9.7
97.06467	6.5
99.00771	2.7
101.02329	15.9
107.04893	3.2
108.02029	1.9
109.02838	2.4
109.06476	39.4
110.03654	3.0
110.06834	1.8
111.04438	3.1
113.02328	10.2
119.03392	3.3
121.02825	2.7
121.06486	4.4
123.08054	4.9
125.02325	4.4
125.09608	27.5
129.99637	1.5
135.08035	6.6
136.01569	1.7
136.97876	1.5
142.02634	2.7
147.11667	1.9
149.04321	1.6
152.99547	2.0
161.04420	4.5
161.05957	1.9
161.09633	6.0
163.07545	1.8
163.11195	18.6
164.11642	2.0
165.09210	2.0
169.01295	4.0
171.10149	3.8
175.07391	1.8
175.11172	5.5
177.09227	2.5
179.10721	3.9
181.12231	7.6
185.11661	2.6
187.09694	13.9
189.09135	1.9
191.10692	5.6
201.09117	1.7
205.08379	2.2
207.10213	77.5
208.10570	3.4
208.87006	1.8
209.11772	40.8
210.12117	2.6
211.13307	4.0
217.12187	1.9
219.10153	5.4
219.13788	3.9
221.11832	2.1
223.09668	3.9
223.13365	7.7
225.11256	38.8
227.12811	3.7
235.08185	5.9
235.13333	4.4
237.11234	4.3
245.11761	3.2
253.09244	6.7
255.23236	1.9
261.11243	3.1
263.12836	12.1
273.11282	2.0
303.82867	1.6
309.18747	2.9
317.20929	2.0
325.18045	2.8
325.21692	2.8
327.19684	2.9
343.19064	2.7
345.20663	2.7
350.71591	1.6
350.94626	1.7
353.17352	2.3
353.21304	2.5
361.20197	2.4
369.20682	5.7
371.18478	8.4
371.22589	3.9
379.20908	2.5
387.21890	5.2
389.19238	8.3
397.20294	10.0
405.17664	3.5
405.22672	2.4
415.16141	3.3
415.21198	31.1
416.21768	3.1
423.18396	1.8
433.22327	9.2
443.19196	2.2
461.20166	12.7
507.33096	5.0
567.37018	1.7
597.29572	5.7
607.27533	26.1
608.28070	7.9
623.30615	4.6
625.28735	53.8
626.28784	9.6
633.29138	13.4
634.29675	2.7
651.30127	100.0
652.30609	19.1
669.31262	42.0
670.31683	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	669.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59229	1.4
71.12456	3.9
119.04901	1.7
121.06495	2.5
125.02312	1.7
133.06494	5.7
135.04430	4.5
135.47812	1.7
141.76648	1.7
145.02863	2.5
149.02335	2.2
149.05994	1.8
151.03967	7.4
159.04437	2.0
161.05998	10.5
162.03102	3.1
163.03923	16.8
175.04034	1.5
177.05533	4.8
187.03943	6.8
190.02725	4.3
190.09048	1.6
193.01334	14.8
203.03343	3.1
205.05006	22.5
237.00371	2.6
249.04010	18.3
293.03055	4.5
337.02029	100.0
338.02365	6.9
516.35376	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	669.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	2.1
67.01752	0.7
68.88692	0.7
69.97357	2.3
69.97776	1.5
71.01272	0.6
72.99176	0.6
73.09635	0.6
93.03310	1.1
99.00767	0.7
105.03337	1.5
105.06930	0.7
107.04891	2.1
109.02849	0.9
111.00758	2.4
117.03360	1.1
119.04918	2.4
121.02801	1.3
121.06482	3.5
123.00756	0.7
123.04379	1.8
124.01566	0.6
125.02338	3.1
125.91856	0.7
131.04951	1.0
133.02783	0.7
133.06502	9.3
134.06757	0.7
135.04388	5.0
137.02364	2.4
143.04950	2.0
145.02843	4.0
146.03627	2.3
147.04407	1.0
149.02350	5.2
149.05988	3.1
151.03931	9.2
159.04468	7.1
160.05136	1.0
161.02286	1.2
161.05992	15.9
162.03139	4.3
163.03925	23.9
164.04330	0.8
165.01817	2.5
169.01315	2.5
171.76872	0.6
175.03944	2.1
177.01872	1.0
177.05484	6.2
187.03928	11.3
188.04251	0.7
190.02663	5.4
191.03479	1.6
191.05351	0.6
193.01360	23.8
194.01663	1.4
203.03407	3.3
204.04144	0.7
205.05013	32.2
206.05318	1.9
219.02908	1.0
221.04573	0.8
223.06003	0.7
231.02936	2.2
233.00862	1.8
237.00443	1.6
244.04169	0.6
247.02257	0.7
249.04027	23.8
250.04219	1.2
261.00449	0.8
275.02057	1.5
293.03040	7.5
300.99911	1.3
331.06680	2.7
337.02011	100.0
338.02390	7.0
574.44366	0.8
598.19043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95720	0.8
52.70534	1.0
57.03288	0.8
57.80548	0.9
59.01250	22.7
61.98676	1.4
69.03310	3.1
70.65560	0.9
71.01254	10.6
71.04896	1.2
73.02815	1.7
80.02541	0.9
81.03313	2.9
83.01247	1.5
83.04879	3.8
84.02023	1.1
85.02797	3.8
87.00745	2.6
89.02316	6.5
93.03314	1.0
95.01284	1.1
95.04884	1.4
97.02844	8.4
97.06439	1.1
98.20651	1.7
99.00733	1.7
101.02310	8.0
107.04887	2.0
109.06471	38.3
110.03606	1.3
110.06797	1.4
111.04475	0.9
113.02339	4.7
119.03352	1.9
121.06444	3.0
125.02373	1.4
125.09611	1.5
135.08038	4.6
136.05164	2.2
142.02592	2.8
143.03391	1.4
145.04953	1.0
149.09584	1.2
160.42253	0.9
161.04446	2.6
161.09547	3.1
163.11191	23.5
164.11461	1.6
167.10641	2.8
177.12758	0.9
179.05600	1.5
179.10641	1.2
179.14305	3.4
181.12282	5.8
184.49167	0.9
185.11771	4.3
186.80920	1.0
189.09082	1.5
195.13858	10.5
196.14238	1.3
205.12363	7.1
207.10204	100.0
208.10539	6.0
209.11728	2.6
223.13348	66.4
224.13649	3.7
225.11269	53.2
226.11584	3.5
235.08160	4.6
253.09241	10.6
259.13266	0.9
281.13922	1.6
299.14871	1.6
351.23245	3.6
359.25797	1.1
365.04361	0.9
369.20483	1.1
377.21240	1.4
385.23813	5.0
387.21494	1.7
395.22229	10.2
396.22498	2.1
403.24908	4.3
413.23291	19.6
414.23724	1.9
431.24200	10.0
432.24869	1.6
436.64182	1.1
443.19180	5.8
459.22153	2.0
461.20300	20.0
462.20435	1.9
548.92731	1.1
621.32458	2.0
631.30963	4.6
649.32178	28.4
650.32489	4.1
667.33087	33.3
668.33588	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	667.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20765	4.4
58.79552	4.3
83.01244	6.9
95.01249	16.2
108.33252	4.8
111.00774	21.0
123.00780	33.1
125.02327	30.0
139.00270	37.0
141.01802	21.9
145.02859	7.1
147.04414	9.0
163.03911	11.1
166.99759	100.0
168.00381	5.2
169.01331	33.9
173.02379	6.6
175.03905	13.6
177.05363	6.4
182.99318	6.5
184.00058	12.4
185.00824	78.9
189.01767	7.8
191.03389	9.7
193.01245	15.2
193.04982	5.7
201.01900	8.0
201.28151	5.5
203.03477	24.1
205.05051	11.2
217.01363	8.5
219.02846	13.4
221.04573	8.9
229.01326	7.1
230.43228	7.1
231.02956	11.5
235.02504	5.6
245.00877	7.2
247.02412	50.2
249.04041	7.9
273.00363	18.1
275.01920	22.7
291.01456	21.7
291.04575	6.4
293.02890	7.7
300.99945	17.1
319.00775	6.2
337.01999	6.4
353.01434	15.6
374.28873	5.4
453.06638	20.1
481.06360	11.8
499.07202	14.6
613.04315	6.6
623.20752	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	667.334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	2.3
59.01255	32.6
61.98695	5.5
69.03322	6.6
71.01262	20.7
73.02825	3.4
75.00737	2.2
81.03342	3.3
83.01261	3.2
83.04886	6.0
85.02814	8.0
87.00768	3.7
88.98695	1.9
89.02322	10.1
95.01266	1.9
95.04888	3.0
96.95893	2.3
97.02841	9.6
99.00754	3.2
101.02333	10.3
103.50247	1.6
107.04918	1.6
107.08685	1.6
109.06479	31.3
113.02336	5.9
119.03380	4.5
121.02856	16.3
123.08057	2.1
125.02289	4.6
125.09596	2.3
135.08044	4.0
142.02553	3.3
145.04997	2.4
161.04445	4.9
163.11160	16.6
167.10632	5.8
169.01321	2.4
171.10170	6.8
177.53958	1.7
179.10698	3.4
179.14334	5.4
181.12204	1.9
185.11810	4.0
195.13840	14.8
205.12277	14.2
207.10197	84.2
208.10527	4.1
209.11765	4.4
215.24867	1.8
223.13354	100.0
224.13640	7.9
225.11270	41.5
226.11627	2.7
235.08324	9.4
253.09242	11.9
259.13351	3.2
263.12839	2.5
274.09964	1.9
277.14551	2.5
299.15732	1.6
343.87057	2.3
351.23233	6.0
369.24243	3.2
385.23846	3.8
387.21790	2.0
395.22156	14.2
403.24829	2.9
413.23483	23.8
414.23547	2.8
431.24420	10.6
443.19095	5.7
459.22073	4.8
461.20245	12.4
463.28281	1.8
470.91287	1.8
631.31378	4.0
632.31390	2.5
649.32288	36.6
650.32660	5.2
667.32788	44.8
668.33472	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	665.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00988	1.5
59.01252	17.9
59.02406	0.9
59.60356	0.9
69.03306	1.6
71.01251	15.0
72.99184	1.9
73.02818	4.0
83.01250	2.7
85.02811	7.4
87.00746	2.2
89.02296	7.5
95.01266	6.5
96.95908	1.5
97.02818	3.5
98.19796	1.7
99.00730	2.5
101.02322	12.9
107.01271	9.3
111.00759	4.5
113.02332	5.6
114.68542	0.9
119.03369	3.2
123.00762	18.0
124.01489	2.9
125.02339	57.5
126.02689	2.1
127.00288	1.4
135.82454	0.9
136.98659	2.1
137.02295	1.0
139.00310	5.1
140.01051	4.7
141.01842	1.8
143.03450	1.1
151.00287	8.6
152.00566	1.3
153.01921	1.4
155.06915	1.0
161.04469	1.2
168.00586	6.9
169.01341	48.1
170.01709	1.4
181.12212	2.4
199.13327	4.5
211.02403	1.0
300.99988	1.8
329.13763	1.2
343.17490	4.7
357.26266	1.3
361.14114	2.4
361.18671	49.7
362.18979	4.7
381.01794	1.1
477.17422	1.2
495.18762	4.9
496.19937	1.1
503.32202	2.7
513.19745	59.1
514.19904	6.7
528.03149	1.1
654.18201	1.1
665.20850	100.0
665.37451	9.8
666.21112	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	665.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00988	1.5
59.01252	17.9
59.02406	0.9
59.60356	0.9
69.03306	1.6
71.01251	15.0
72.99184	1.9
73.02818	4.0
83.01250	2.7
85.02811	7.4
87.00746	2.2
89.02296	7.5
95.01266	6.5
96.95908	1.5
97.02818	3.5
98.19796	1.7
99.00730	2.5
101.02322	12.9
107.01271	9.3
111.00759	4.5
113.02332	5.6
114.68542	0.9
119.03369	3.2
123.00762	18.0
124.01489	2.9
125.02339	57.5
126.02689	2.1
127.00288	1.4
135.82454	0.9
136.98659	2.1
137.02295	1.0
139.00310	5.1
140.01051	4.7
141.01842	1.8
143.03450	1.1
151.00287	8.6
152.00566	1.3
153.01921	1.4
155.06915	1.0
161.04469	1.2
168.00586	6.9
169.01341	48.1
170.01709	1.4
181.12212	2.4
199.13327	4.5
211.02403	1.0
300.99988	1.8
329.13763	1.2
343.17490	4.7
357.26266	1.3
361.14114	2.4
361.18671	49.7
362.18979	4.7
381.01794	1.1
477.17422	1.2
495.18762	4.9
496.19937	1.1
503.32202	2.7
513.19745	59.1
514.19904	6.7
528.03149	1.1
654.18201	1.1
665.20850	100.0
665.37451	9.8
666.21112	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	667.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97933	0.1
59.01235	0.4
61.56554	0.1
63.02274	0.3
71.01262	0.4
71.21944	0.3
79.95612	2.6
83.23283	0.1
83.24004	0.1
85.02847	0.1
86.60863	0.1
87.00754	0.2
89.02326	0.2
93.03352	0.2
95.01297	0.2
96.95892	100.0
97.95824	0.5
98.35850	0.2
101.02297	0.2
102.16528	0.2
107.01293	0.3
113.02300	0.2
119.97546	0.1
123.00818	0.3
125.02324	0.7
139.00293	0.2
145.02867	0.2
151.00252	0.8
163.00310	0.2
169.01326	1.4
187.03963	0.2
207.12450	0.2
211.04059	0.2
213.05647	0.2
227.03514	0.2
229.04997	0.9
241.05019	0.2
257.04565	0.6
283.04623	1.3
285.04034	8.8
286.04419	0.8
300.99957	0.6
306.61032	0.1
331.96320	0.2
337.62375	0.1
347.54309	0.1
353.03308	0.2
569.09351	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.0478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46864	1.9
66.26791	2.1
67.01768	5.2
69.64250	16.7
80.99718	2.6
83.01254	5.0
95.01279	4.8
111.00771	54.3
117.03271	2.2
123.00783	4.7
125.02342	15.5
133.02843	3.1
139.00272	56.4
140.01070	5.5
145.02869	5.0
161.02338	5.2
163.00298	3.8
163.03984	2.8
166.99718	6.8
169.01341	15.7
176.01012	2.5
177.01826	5.2
182.99283	100.0
184.00073	25.8
185.00735	4.6
187.00314	2.5
188.01086	2.7
189.01860	7.1
191.03354	3.1
202.99765	2.8
205.01358	5.3
214.99803	4.5
215.53169	2.5
217.01404	9.3
219.02922	3.2
233.00871	4.8
245.00876	7.7
247.02486	8.1
258.98767	3.2
259.99371	2.3
261.00339	9.0
270.98801	2.4
271.99435	2.5
273.00397	27.6
275.01932	4.7
276.99985	2.9
286.98419	8.5
291.01431	3.3
298.98123	3.9
300.99774	8.7
316.99261	6.2
405.04562	4.7
421.04251	3.1
423.05530	2.8
431.02029	2.5
449.03342	4.8
601.16699	2.6
609.26270	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23621	1.7
56.67751	1.4
57.03313	2.7
59.01241	5.0
69.03324	5.1
71.01253	13.3
71.56227	2.2
71.56604	1.8
72.99175	2.3
73.02830	12.9
73.04102	1.5
78.40116	1.6
78.95786	1.8
84.79048	1.5
85.02827	32.9
87.00753	100.0
88.01107	2.0
89.02319	2.4
92.55362	1.6
95.01252	6.4
97.02830	19.4
101.02316	3.1
103.03903	11.1
111.00729	2.3
113.02357	8.9
115.00264	10.7
125.02205	1.5
129.01790	1.8
157.01324	9.7
175.02403	83.2
176.02852	2.9
191.05502	3.7
211.00087	1.6
217.03453	17.9
290.98453	1.9
303.07220	46.3
304.07684	2.0
321.08258	28.0
322.11652	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	665.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47995	2.3
59.01251	5.1
62.93617	2.4
65.00227	2.9
71.01245	4.2
81.55627	2.3
83.01257	5.6
87.16848	2.0
91.53685	2.5
95.01265	3.9
105.38619	2.2
107.01254	3.1
111.00753	13.3
113.02299	2.4
117.03388	4.5
123.00788	6.1
125.02365	13.2
128.32079	2.3
133.02844	5.0
137.02356	4.8
139.00285	24.0
140.92670	2.2
145.02881	5.9
147.04375	5.7
148.53050	2.7
149.02332	3.2
154.99641	4.3
161.02365	13.3
163.00313	11.8
163.03961	7.5
165.01819	3.8
166.99797	5.8
169.01308	20.1
173.02364	6.8
175.03925	4.5
177.01842	10.2
182.99265	20.0
185.02380	3.6
189.01845	12.7
190.02576	6.9
191.03450	14.0
193.01338	3.0
194.99190	3.5
201.01903	9.3
205.01358	7.9
207.02972	4.2
209.00864	6.0
214.99785	4.2
217.01430	17.6
218.01915	2.5
219.02910	6.1
221.00943	3.0
227.03650	3.3
229.01344	6.8
230.99240	5.8
231.02899	3.6
232.00153	2.7
233.00882	7.4
235.02426	8.5
237.00415	3.2
242.99376	4.4
244.00191	2.6
245.00896	8.6
246.01620	3.5
247.02480	7.3
249.04008	3.4
257.00909	3.6
261.00427	11.7
262.00851	3.2
263.02039	14.2
270.98834	6.7
273.00385	8.6
274.01138	6.8
275.01999	16.5
279.01312	2.5
286.98294	8.5
288.99951	21.7
291.01398	5.0
298.98322	4.5
299.99033	9.0
300.99896	87.8
302.00266	11.1
307.00977	4.2
314.97989	5.9
315.98450	2.6
316.99371	100.0
317.99649	6.1
332.98868	10.5
451.04950	3.5
463.05228	30.6
469.06555	5.8
497.04932	2.8
523.06702	2.6
549.09052	3.2
551.06812	4.5
575.06696	6.6
577.08063	4.8
603.05951	4.3
619.05621	5.9
621.07581	3.5
632.06482	3.3
647.05542	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	661.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06781	1.2
57.03334	1.6
58.00453	2.3
59.01251	52.6
62.09115	1.2
63.35735	1.2
69.03305	3.0
69.95663	1.1
71.01254	45.8
72.99184	3.2
73.02809	6.2
75.00745	1.3
80.24531	1.1
81.03328	2.4
83.01276	5.3
83.04828	1.3
84.43088	1.0
84.52139	1.1
85.02821	10.4
87.00750	12.0
87.53217	1.2
89.02317	42.2
93.58801	1.2
95.01241	2.7
96.14471	1.0
96.49373	1.1
97.02814	9.5
98.19775	3.0
99.00764	2.2
101.02322	41.1
113.02329	18.4
113.36913	1.2
119.03397	10.1
125.02354	14.8
131.03397	2.3
143.03375	7.9
161.04446	8.5
179.05482	8.6
208.30606	1.1
217.07144	1.3
221.06580	2.5
235.08194	15.7
253.09300	3.2
263.07605	2.2
263.20157	100.0
264.20380	7.0
287.07693	2.9
305.08719	4.6
312.91119	1.2
323.09927	1.9
397.13495	78.1
398.13818	5.1
415.14566	36.8
416.14932	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	661.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.5
57.03333	1.4
58.00468	2.5
58.09465	0.8
59.01255	14.2
60.99162	1.0
65.03838	1.6
67.01783	1.1
67.05400	0.9
68.99701	1.1
69.03335	2.7
70.34887	3.8
71.01255	20.2
72.99191	2.1
73.02827	3.3
75.00758	1.6
77.48599	0.9
83.01281	3.2
83.04912	3.1
85.02818	10.3
87.00743	2.0
89.02314	5.4
93.03351	2.2
93.06956	4.6
95.01286	4.3
95.04890	1.3
96.95911	3.2
97.02869	2.3
99.00779	2.5
101.02328	8.3
102.54033	1.0
105.06981	2.1
107.01264	1.6
109.02855	3.4
109.06487	6.2
111.00794	2.4
111.08035	8.1
113.02332	8.8
115.05373	1.2
117.03386	3.4
117.07002	2.7
119.03396	2.8
119.04922	3.1
121.02850	9.0
121.06502	3.8
122.03631	7.3
123.00777	16.3
123.04418	3.1
123.08031	1.0
124.01586	1.8
125.02341	8.7
125.06010	3.6
127.00258	1.5
133.06493	3.0
134.03654	0.9
135.04446	2.0
135.08057	1.5
136.05176	1.3
137.02361	3.5
137.05989	5.1
139.00316	4.7
139.07547	6.5
140.01056	1.2
141.01880	3.2
143.03453	1.0
143.04953	1.9
147.04407	4.8
149.05988	2.4
151.00288	15.3
151.03935	1.2
151.07600	2.5
154.99748	1.2
155.07048	100.0
156.07370	3.8
161.02336	1.7
161.04610	2.2
161.06001	7.2
162.06766	1.5
163.03883	1.0
165.05490	12.7
169.01350	10.8
171.10170	1.7
171.78168	1.1
173.05899	2.1
175.03838	1.1
179.07063	4.8
187.08807	1.8
191.07059	2.7
197.08109	9.5
209.08112	3.9
209.11646	1.1
211.02321	1.2
219.25104	1.0
227.09212	1.3
257.10428	2.1
298.12259	1.2
300.02609	1.1
300.99954	2.4
301.11942	2.0
307.08197	4.9
313.14459	4.0
315.12146	1.5
328.13217	4.2
335.12378	1.3
343.15475	6.4
346.14194	5.9
347.14993	1.0
355.08115	2.3
361.16562	39.0
362.16922	2.2
451.12408	3.3
463.17224	2.5
499.21011	1.3
505.20795	67.9
506.21085	10.2
523.15161	1.5
523.21796	36.3
524.22247	5.6
661.21191	7.7
661.31036	3.0
662.21564	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	661.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44882	0.9
57.23225	0.8
59.01255	15.6
59.03684	0.9
65.32765	1.0
71.01263	2.6
71.56730	1.3
72.07856	0.9
83.09837	0.9
87.10556	0.9
89.02294	1.2
101.02318	2.1
113.02314	1.1
125.09665	1.3
127.11192	2.3
161.04517	2.1
171.10176	100.0
172.10551	3.7
183.13843	4.3
183.74245	1.0
193.12242	1.8
211.13332	82.4
212.13710	5.2
235.08167	2.5
239.00896	0.9
253.09224	5.7
310.03027	2.1
407.19070	3.0
429.21112	1.8
447.22351	5.9
526.31714	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.0
59.01250	4.0
67.01753	1.0
68.99664	1.2
69.03307	1.1
71.01257	3.7
72.99150	0.9
73.02793	0.8
81.03322	1.0
83.01234	2.1
83.04895	1.3
85.02795	1.3
87.00764	0.8
89.02292	1.1
95.01236	2.1
97.02811	1.3
99.00742	1.1
101.02296	2.6
105.33771	0.6
107.01273	11.5
107.04852	0.7
109.99928	1.4
111.00765	8.1
113.02316	1.5
123.00761	9.8
124.01579	3.7
125.02338	27.7
127.00278	3.4
136.98671	4.4
137.05917	2.6
138.99278	0.8
139.00269	9.9
140.01060	14.6
141.01724	1.9
145.06294	0.6
149.02344	1.1
151.00287	6.3
151.11179	1.6
154.99721	1.5
155.06992	2.2
158.18259	0.6
167.99184	1.0
168.00554	14.2
169.01338	36.4
169.12245	7.2
170.01672	1.1
170.12590	2.8
171.12817	1.1
189.05518	1.1
193.01285	2.6
197.11655	0.7
201.09056	0.7
209.11787	6.1
209.15257	0.6
210.12054	1.6
211.13239	0.9
213.11073	1.3
219.10178	1.5
227.12843	0.8
245.08067	2.7
289.07159	10.0
303.58035	0.7
307.08212	3.5
451.21118	1.0
660.33191	2.0
661.28351	100.0
662.28656	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	661.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17368	1.0
57.03305	1.2
58.00457	4.5
59.01249	12.1
61.33952	0.9
61.98701	1.1
65.03838	2.8
67.01768	3.6
69.03335	2.5
71.01256	17.0
71.15633	1.2
71.15966	1.6
72.99191	1.2
73.02824	3.2
75.00750	1.8
78.95813	1.1
79.01754	4.5
81.03346	1.1
83.01270	3.8
83.04905	4.8
83.16975	0.9
85.02821	6.0
89.02333	4.0
93.03355	2.1
93.06989	5.0
95.01267	6.5
96.95898	3.1
97.02847	2.9
99.00780	2.2
101.02330	10.0
105.06968	2.5
107.01273	2.4
107.04918	2.2
109.02841	3.5
109.06473	5.8
111.00793	2.6
111.08044	5.4
113.02317	8.6
115.05443	1.6
116.92727	1.1
117.03358	4.3
117.06985	3.2
119.03423	3.7
119.04937	3.3
121.02863	4.2
121.06466	6.1
122.03651	2.6
123.00768	33.2
123.04382	2.4
123.08012	1.5
125.02354	9.9
125.05977	1.5
127.00285	2.0
131.04913	2.2
133.06500	5.6
135.04498	1.2
135.08054	2.5
137.02316	2.1
137.05980	3.6
139.00255	7.4
139.07550	14.4
140.01028	1.1
141.01817	4.9
143.03461	1.0
143.04913	4.6
145.06461	1.1
146.03659	1.0
147.04411	2.7
147.08049	2.1
147.34117	0.9
149.05994	2.8
151.00276	29.9
151.03876	0.9
151.07571	4.3
152.00662	1.2
155.07043	100.0
156.07414	3.1
159.04465	1.2
161.02350	1.6
161.04474	4.7
161.06001	13.7
162.06549	1.2
163.03882	1.2
165.05481	6.6
166.99765	1.6
167.03499	0.9
168.00586	1.7
169.01332	13.7
171.10182	1.4
173.06007	4.3
175.07671	1.0
176.04767	1.1
177.05620	0.9
179.03459	1.1
179.07039	5.9
190.99854	1.0
191.07024	2.6
193.01350	1.7
194.05858	1.4
197.08122	17.6
204.06538	1.2
209.08116	5.4
209.11755	1.2
217.01193	1.5
227.09164	1.8
255.03024	1.2
257.10217	4.8
261.00504	1.2
274.01212	1.1
287.11414	1.5
288.99994	1.6
289.07092	1.2
300.99832	2.4
301.03494	1.2
307.08234	10.3
317.12125	1.1
328.13016	1.6
343.11722	1.4
343.15613	2.3
346.14139	3.7
349.09116	2.0
355.08221	3.2
361.16589	14.5
362.16959	1.3
451.12613	3.6
505.20792	27.3
506.21344	2.7
523.14624	1.6
523.21716	14.0
654.77924	1.3
661.21442	15.2
661.31024	2.1
662.21710	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	661.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96593	2.2
51.23143	2.4
52.37692	2.3
55.85981	2.3
55.86262	2.2
59.01249	11.2
67.72489	2.5
71.01266	7.9
71.57351	4.3
83.01267	3.8
89.02303	2.7
99.00784	3.2
101.02334	3.5
108.06106	2.6
111.00755	2.9
125.02346	6.3
139.00221	3.0
169.01384	4.9
177.01889	4.3
182.99309	4.2
189.51451	3.1
205.01367	3.0
212.04759	3.3
214.02747	4.0
227.03429	3.2
227.40477	2.9
233.00897	18.4
240.04224	13.4
242.02017	4.3
245.01093	3.5
253.04974	4.7
256.00381	2.9
269.00885	6.0
298.01224	10.2
299.01691	3.6
300.99854	4.8
307.02609	3.0
309.15851	3.3
311.01917	7.2
313.10889	12.2
323.02032	5.5
330.00156	4.0
339.01434	3.0
341.10306	4.0
350.00674	6.0
368.01385	4.6
385.09210	3.3
427.12292	3.5
459.65134	3.1
475.16098	18.9
499.18079	3.0
503.15564	23.9
505.13333	3.9
519.15094	7.0
529.13837	8.2
547.14557	100.0
548.14893	14.6
573.16241	10.0
591.13568	25.1
617.15436	17.5
661.14185	40.8
662.14526	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	659.752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.0
55.09100	0.7
58.00480	0.8
59.01249	12.9
59.07057	0.6
61.98699	1.5
63.15549	0.7
69.03325	1.3
71.01254	11.8
71.57023	0.6
72.99200	1.2
73.02810	3.6
78.95782	29.8
80.02553	1.4
81.03353	2.3
83.01265	1.8
83.04896	7.5
84.02043	1.1
84.05225	1.5
85.02819	4.0
87.00761	3.0
89.02322	8.8
95.01275	1.5
96.96841	2.9
97.02827	1.7
101.02321	7.8
113.02345	5.3
119.03376	1.4
125.02321	2.8
125.09570	0.8
131.03416	5.4
136.15851	0.7
149.04483	4.4
161.04477	2.9
162.04849	0.8
163.11247	4.1
164.11537	1.9
165.12788	2.1
166.13129	1.2
167.13234	1.0
169.01357	0.9
169.12283	0.9
171.10172	3.2
172.10472	1.2
173.11044	0.8
179.05408	0.9
181.12389	0.9
183.13881	7.0
184.14200	3.7
185.11754	2.3
185.14474	1.3
191.10765	1.1
193.12263	1.3
199.13353	0.9
209.11775	100.0
210.12114	74.3
210.14189	1.5
211.13516	81.1
212.13701	55.3
213.13890	25.0
214.14044	1.5
221.06621	2.4
227.12840	12.7
228.13202	7.3
229.13448	4.0
235.08214	3.2
236.08542	1.8
237.08617	0.8
241.01094	3.9
253.09273	9.0
254.09691	5.5
255.09735	4.1
293.08554	1.0
353.10785	1.8
447.21426	1.2
448.22733	1.4
449.22922	3.0
485.15463	1.1
556.28992	2.3
593.73145	2.0
623.33502	1.6
659.34344	1.3
659.75366	8.1
660.25671	3.5
660.75531	1.0
670.32166	6.1
671.32251	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77998	2.3
59.01261	4.3
68.29881	2.3
70.29754	2.3
70.95640	3.7
70.95957	3.6
79.64005	2.3
80.08866	2.2
83.01239	2.6
83.87878	2.3
95.01292	2.6
96.95152	2.3
96.95865	4.3
102.79314	2.5
107.01267	5.8
111.00773	4.4
116.92755	3.3
117.03356	7.2
121.02862	5.3
123.00774	8.0
125.02363	20.7
133.02866	11.4
134.03683	3.2
134.61957	2.5
139.00305	5.8
145.02882	16.9
148.01579	10.8
149.02374	6.1
151.00304	4.8
160.01535	2.7
161.02345	32.2
162.03166	7.5
162.07404	2.5
163.00298	6.5
163.03909	11.7
165.01923	2.8
165.05594	3.2
166.99776	4.2
169.01375	21.5
173.02333	10.2
174.03145	7.2
176.01114	8.5
176.17908	2.6
177.01846	14.6
177.05563	4.6
178.99779	5.0
179.03513	3.0
189.01892	25.9
190.02614	10.8
190.99803	3.8
191.03322	4.7
193.01390	7.2
194.99294	4.7
201.01836	7.7
203.03381	2.6
204.00569	20.5
205.01337	47.3
206.02014	11.9
206.99342	6.1
213.01953	3.2
215.00020	3.0
216.00583	7.4
217.01363	37.5
218.02103	7.5
229.01424	3.5
232.00093	10.4
233.00883	38.2
234.01570	10.2
243.03116	3.0
245.00874	27.4
246.01460	3.6
249.04019	9.3
250.70906	2.6
259.99796	3.0
261.00479	12.1
271.02359	3.7
275.01974	7.2
277.03543	71.6
278.03940	5.9
288.99847	4.4
293.02884	4.7
295.04526	4.2
301.00092	12.1
302.00546	3.0
303.01498	10.1
319.00787	3.7
321.02536	95.6
322.02863	7.6
341.13177	2.4
346.96182	5.3
347.00433	100.0
348.00803	8.7
365.01501	91.4
366.01724	7.1
491.04419	4.9
510.38821	2.9
569.64758	2.8
643.05817	30.1
644.06171	4.5
662.12299	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	659.403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.0
57.03315	2.1
58.97172	0.6
59.01255	8.5
60.99164	1.0
61.98710	1.2
69.03315	1.5
71.01256	12.8
71.44830	1.2
72.99175	0.8
73.02821	3.6
75.00730	0.6
81.03339	1.2
83.01238	2.9
83.04896	6.9
85.02816	5.8
87.00735	1.1
89.02306	1.8
93.06962	3.3
95.01246	1.8
95.04935	1.2
96.95905	0.9
97.02827	1.0
97.06489	0.5
99.00756	2.2
100.87062	0.4
101.02322	9.1
107.01273	1.2
107.04900	0.7
109.06462	4.1
111.00767	1.7
111.08030	9.8
113.02322	5.1
119.03363	0.7
121.10096	1.2
123.00768	2.1
125.02335	3.7
125.05937	2.8
127.03893	6.7
127.11240	0.8
137.05937	3.9
139.07530	3.1
146.49841	0.6
151.00259	1.5
151.03873	0.7
151.11116	0.7
155.07042	100.0
156.07365	3.8
161.04466	1.5
163.11211	0.9
165.05493	2.3
168.00484	0.8
169.01341	4.2
169.12242	2.5
171.10187	1.2
171.13741	0.7
183.13847	1.1
185.11693	1.2
197.11729	2.5
201.11153	0.8
201.14899	3.5
207.10289	0.6
209.11774	15.0
209.13795	1.0
210.12106	8.2
211.02435	0.7
211.13495	12.4
212.13675	7.2
213.11334	1.0
213.13934	3.5
225.11305	0.8
227.12857	2.8
228.13196	0.9
235.08203	0.7
253.09218	1.7
341.27057	0.9
345.19174	1.6
359.27975	3.6
363.20212	1.7
425.17181	0.7
449.22192	0.7
503.32288	35.2
504.32513	4.9
521.33295	20.6
522.33685	3.3
531.31775	2.3
580.45715	0.6
615.37323	4.9
616.37708	0.9
659.35876	14.0
660.37109	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.6
59.01253	100.0
60.01596	0.8
61.98700	1.1
69.44711	7.3
71.01257	15.3
72.99171	1.2
73.02827	6.1
83.01261	3.2
83.04864	1.1
85.02814	7.8
87.00706	1.1
89.02319	2.4
91.05399	0.8
93.03332	1.4
95.01257	2.2
96.95886	8.5
98.19793	1.3
99.00774	1.6
99.04393	2.4
101.02328	9.5
102.53870	0.7
107.01271	1.1
113.02348	6.7
116.09686	0.7
123.00733	1.7
123.04453	0.8
125.02337	5.5
136.05127	1.0
137.02347	5.4
149.02342	1.0
149.06017	0.8
155.07045	8.7
159.04427	1.3
160.05222	1.9
161.02361	1.1
161.04457	2.1
161.05733	1.0
165.12761	0.9
169.01411	5.3
175.04042	1.0
175.07556	2.7
177.01794	1.1
177.05396	1.6
178.06367	0.9
180.04161	0.9
207.13811	2.2
209.11824	6.2
217.01340	1.2
225.14922	7.9
227.12854	33.1
228.13254	2.0
245.00803	1.0
247.02522	3.3
255.02969	3.5
269.13928	1.2
284.03278	2.7
285.03918	3.3
299.05798	1.1
300.99930	1.4
301.99933	0.9
329.13974	7.1
344.12469	1.4
359.15045	3.3
361.16724	1.0
389.21948	2.1
497.33841	1.7
503.18994	7.4
521.20313	4.3
529.35638	0.8
615.17230	1.0
623.13947	3.6
641.35632	8.9
642.35773	1.8
659.36505	90.3
660.36847	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	659.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.1
57.03337	3.2
58.00474	0.6
58.32071	0.5
59.01249	8.3
60.99165	1.0
61.98708	0.7
65.03832	0.7
69.03326	2.3
70.42084	1.9
71.01259	9.4
72.99187	0.6
73.02818	3.1
81.03329	1.3
83.01266	2.6
83.04481	0.6
83.04884	3.8
85.02813	3.9
87.00750	1.0
89.02316	1.8
90.90892	0.5
93.06999	3.7
95.01260	1.7
96.95850	0.7
97.02810	1.1
99.00771	1.3
101.02326	8.2
106.81732	0.5
107.01275	2.5
107.04902	0.8
109.06467	4.9
111.00781	2.3
111.08041	8.0
113.02346	4.4
121.22147	0.5
123.00775	7.4
124.01168	1.1
125.02332	8.8
125.05975	3.5
126.02680	0.6
127.02937	0.5
127.03883	2.4
129.19362	0.6
136.98653	0.8
137.05995	4.7
137.09590	0.8
139.00294	2.0
139.07510	0.7
140.01024	1.7
141.01846	0.9
143.03439	0.6
151.00279	4.2
155.07045	100.0
155.10567	1.5
156.07352	4.5
161.04474	1.9
165.05502	0.7
168.00552	2.0
169.01338	10.9
169.12225	2.0
170.01686	1.3
171.01845	0.7
171.10146	1.2
185.11816	0.7
197.11765	1.9
201.14957	1.7
209.11774	9.0
210.12131	4.6
211.02518	1.5
211.13319	2.8
212.13774	2.6
213.11296	1.4
213.13831	1.2
225.11325	0.8
227.12936	1.4
253.09280	1.2
254.09383	0.6
265.14093	0.6
272.40643	0.5
299.99072	3.1
300.99854	1.3
313.05920	0.6
335.17111	0.9
359.27957	5.8
503.32278	25.2
504.32602	3.7
521.33319	24.6
522.33649	2.4
615.37531	1.3
629.34521	0.8
659.11731	1.5
659.36017	52.5
660.36365	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	659.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33540	0.5
57.03315	2.2
58.00472	0.7
58.05854	0.4
59.01249	6.7
69.03345	0.7
71.01254	6.8
71.15184	0.8
71.15529	0.8
72.99187	0.8
73.02834	1.2
80.02541	1.3
81.03337	1.9
83.01270	1.1
83.04901	7.4
84.02049	0.8
84.69066	0.6
85.02821	2.4
87.00758	2.0
89.02311	3.5
95.01245	0.7
95.04907	2.4
97.06464	6.1
101.02311	5.5
107.01263	0.8
113.02335	3.6
119.03384	0.7
123.00732	0.7
125.02345	2.9
125.09607	1.2
133.10094	0.8
135.08128	0.5
140.01033	0.6
144.67206	0.5
145.01401	0.6
145.04927	0.6
151.11195	20.9
152.11525	1.1
155.06992	1.4
161.04478	1.9
163.11197	4.5
165.12778	3.6
169.01378	2.4
169.12259	69.4
170.12587	3.3
171.10207	0.6
181.12231	0.9
185.11761	0.9
191.10680	1.5
195.10129	3.6
209.11768	100.0
210.12115	8.2
211.13527	4.5
212.13672	4.3
213.11278	13.0
213.13702	0.8
213.14085	0.8
222.30373	0.6
227.12869	11.6
228.13182	1.6
235.08185	2.8
253.09235	6.0
279.88559	0.5
287.15137	0.6
307.08316	2.4
308.08124	0.5
379.24966	0.6
415.34518	0.5
431.19232	4.0
445.21005	0.9
449.20270	7.2
497.27322	0.8
552.43286	0.6
619.57935	0.7
641.31836	3.7
659.32874	79.4
660.33234	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	659.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.7
58.00459	1.5
59.00998	1.3
59.01255	20.0
61.98705	6.0
62.00206	1.0
69.03316	1.0
71.01256	19.2
71.57219	1.5
72.99174	1.5
73.02805	4.8
81.03308	1.6
83.01256	2.2
83.04900	8.7
85.02810	5.0
87.00732	3.3
89.02323	7.0
95.01264	1.3
95.04893	1.3
96.95860	2.4
97.02869	1.1
97.06480	5.5
99.00723	2.7
101.01760	1.3
101.02325	11.6
107.01255	3.1
109.06465	3.4
111.07966	1.5
113.02326	7.0
119.03363	2.3
123.00769	6.6
123.08028	1.0
125.02339	13.2
125.06036	1.2
125.09636	1.6
127.03889	5.2
137.05954	1.2
138.01840	3.6
139.07535	1.4
140.01009	2.3
143.03435	1.2
150.85898	1.2
151.00307	2.7
151.11203	18.0
155.07045	12.8
160.01527	1.1
161.04463	3.4
163.11214	6.7
165.05437	2.8
165.12778	3.1
168.00462	2.1
169.01355	18.0
169.12259	100.0
170.01695	2.1
170.12590	4.7
171.10196	5.4
175.03893	3.0
179.05592	1.7
181.12233	1.8
183.13741	1.9
185.11794	2.3
191.10597	1.3
195.10245	1.8
197.11823	5.4
199.13298	3.5
207.10149	2.5
209.11775	85.8
210.12178	19.6
211.02490	2.1
211.13503	17.9
212.13728	12.8
213.09277	1.1
213.11247	20.3
213.13905	4.9
214.11569	1.3
225.11258	3.0
227.12849	17.4
228.13089	3.5
235.08113	4.0
243.12375	1.7
253.09291	9.8
265.07117	4.7
295.60284	1.1
300.99631	1.6
307.08301	10.5
349.09402	1.5
431.18988	4.1
432.19223	1.0
449.20230	16.7
467.29874	1.9
469.13846	1.6
503.32123	2.7
521.33313	2.9
615.37189	3.1
641.32336	3.8
658.34271	2.1
659.33350	83.6
660.33405	12.5
667.21960	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30302	1.8
55.01767	4.2
57.03326	3.1
58.00440	2.2
59.01248	23.5
69.03329	3.4
71.01256	27.7
72.99200	2.2
73.02814	8.7
81.60089	1.7
83.01268	5.5
83.04890	3.7
85.02840	12.4
85.99932	2.5
87.00771	4.6
89.02337	4.3
89.18824	2.0
90.60257	1.8
93.06963	4.8
95.01320	1.9
99.00746	3.4
101.02319	12.7
109.02838	2.5
109.06477	6.6
111.00804	3.1
111.08031	9.2
113.02351	7.0
121.02824	10.5
125.05964	2.4
137.05998	7.6
147.04431	2.0
155.07043	83.7
156.07419	4.1
159.04375	2.8
169.01424	2.7
190.74689	1.8
191.73796	2.0
229.44830	2.1
238.06316	2.6
253.08604	2.3
255.06596	5.0
263.07092	2.5
265.08551	2.1
266.05801	3.0
267.06516	3.6
268.07404	5.3
269.08081	10.4
270.08878	3.9
280.07361	3.6
281.08133	17.0
282.09006	10.5
283.09714	9.3
289.42932	2.1
293.08340	4.4
295.09799	6.6
296.10333	2.4
297.11188	3.0
299.09222	8.3
311.09338	8.4
312.09824	2.4
314.08188	4.2
314.11691	9.3
315.12329	4.6
326.11664	16.8
327.12277	14.7
329.13934	13.8
340.09476	2.6
341.13980	18.2
342.14413	2.7
343.11761	3.6
355.11829	7.0
367.13818	2.9
368.12997	2.8
369.13489	3.8
371.14774	2.0
443.13391	3.3
455.13672	4.0
458.15878	8.6
459.15515	2.7
469.04315	2.1
470.15781	6.6
471.15982	2.5
473.18250	100.0
474.18610	19.9
476.16751	10.1
485.18134	91.1
486.18475	17.6
488.16989	5.1
491.19235	64.1
492.19556	8.9
503.19269	99.1
504.19333	12.9
629.26074	43.2
630.26190	7.9
641.25720	18.5
642.26434	4.9
654.86340	2.2
659.33435	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	659.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.8
55.16913	1.6
57.03327	1.7
58.00456	2.9
59.01249	15.6
59.60233	1.3
65.03821	3.4
69.03320	2.7
70.78481	1.4
71.01247	21.7
72.99186	2.3
73.02802	3.8
75.00735	3.8
83.01272	1.5
83.04879	3.1
85.02824	6.2
89.02309	6.9
91.05409	1.8
92.20989	1.5
93.06976	4.2
95.01263	3.0
95.04916	1.5
98.20524	2.5
101.02325	11.4
107.01299	1.8
109.06461	3.8
111.08045	7.3
113.02320	14.0
115.05452	1.9
117.03318	3.5
117.06975	4.0
119.03359	4.6
119.04867	3.9
121.06452	7.1
122.44175	1.5
124.47755	1.4
125.02319	5.5
125.05991	2.5
133.06500	7.8
135.04495	2.0
135.08018	3.5
137.04251	1.4
137.06004	2.6
137.09538	2.1
139.07559	11.8
143.03352	1.7
143.04936	4.5
145.02882	1.8
145.06462	2.9
147.08029	4.5
149.05962	3.4
151.07553	3.1
155.07043	100.0
155.42529	1.8
156.07356	5.7
161.04677	2.3
161.05995	12.6
169.01297	8.0
173.05949	6.5
179.07043	4.6
180.07724	1.9
191.07045	3.4
197.08127	15.3
205.73402	1.7
209.08145	4.5
209.11592	2.4
223.09619	5.4
224.04735	1.6
227.09203	3.3
247.02402	2.3
251.09369	2.0
255.10464	3.2
283.09784	18.9
295.09988	4.6
296.10440	2.2
298.12146	2.9
311.09259	43.9
312.09500	3.5
325.10681	4.8
326.11563	22.5
341.09872	3.2
341.13919	41.1
342.14252	4.5
440.07837	1.5
489.85666	1.6
503.19199	2.4
659.17657	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	659.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.5
56.82830	0.8
57.03326	4.2
58.00473	1.7
59.01253	22.2
68.99682	1.0
69.03308	2.0
71.01250	20.1
71.01614	1.7
71.07180	2.8
72.99197	1.8
73.02837	3.1
83.01261	2.8
83.04910	2.3
85.02827	13.9
87.00732	1.7
89.02311	6.2
93.06979	2.9
95.01260	4.1
95.04890	1.6
96.95898	1.5
99.00723	1.1
101.02324	7.2
107.04945	1.3
108.02103	1.4
109.02852	7.1
109.06494	5.9
111.08045	9.6
113.02325	10.1
119.03409	2.6
121.02827	1.2
123.00775	2.5
123.04398	2.3
124.01539	1.0
125.02336	3.8
125.05987	2.4
137.05968	4.5
140.01019	1.1
144.11662	1.0
151.00316	1.4
155.07042	90.6
156.07379	3.2
159.04454	4.1
161.02361	1.3
166.99840	1.6
169.01303	2.8
169.83144	1.0
172.05209	1.6
173.05962	4.6
177.05385	1.0
179.44748	1.0
187.07597	2.8
189.05432	2.5
191.07060	1.2
203.07208	1.6
213.05589	1.0
241.05077	5.0
253.05069	1.2
255.06604	3.7
267.06595	1.5
268.07364	1.3
269.08334	2.0
279.06622	1.2
281.08154	3.8
283.09732	1.7
295.09647	6.8
296.10410	2.0
299.09232	5.4
311.09351	5.7
313.10757	7.4
314.11536	2.2
325.11081	1.4
326.11505	6.7
327.12262	2.6
329.10254	3.4
329.13934	5.3
341.13928	9.9
342.14413	1.7
343.11841	2.2
344.12625	17.1
345.13135	2.7
359.14975	36.0
360.15384	3.1
361.02200	1.0
467.20605	1.5
503.19235	100.0
504.19580	12.8
521.20251	57.2
522.20557	6.8
659.35620	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.3
57.03319	2.6
58.00486	1.2
59.01254	14.7
62.34343	0.8
67.16124	0.9
69.03335	1.1
70.22115	0.7
71.01255	17.5
71.01654	0.9
72.99180	1.7
73.02816	2.8
81.03327	0.9
83.01266	2.2
83.04907	2.7
85.02830	8.6
87.00742	1.5
89.01808	0.7
89.02313	5.4
93.06982	3.4
95.01272	2.1
96.95895	1.1
99.00781	0.9
101.02307	7.2
107.04899	1.0
108.02037	1.0
109.02857	5.4
109.06474	4.4
111.08051	10.4
112.01506	0.9
113.02332	9.8
119.03395	3.0
123.04408	1.6
125.02344	2.2
125.06015	2.4
132.74316	0.8
137.05954	5.3
155.07050	100.0
156.06287	0.8
156.07404	3.6
159.04442	3.6
169.01321	2.9
172.05261	1.6
173.06020	3.8
181.98471	0.8
187.07568	2.6
191.07190	1.4
203.07162	1.1
219.03914	0.8
241.05106	5.8
247.02396	1.1
255.06607	3.0
268.07608	1.8
280.07401	1.0
281.08203	1.9
283.09900	1.8
295.09781	3.1
296.10400	1.5
298.08279	1.2
299.09305	2.7
311.09457	5.2
313.10831	4.5
325.10791	1.4
326.11426	4.4
327.12354	2.1
329.10297	1.8
329.13889	0.9
341.13834	7.8
342.14450	1.2
343.11780	2.0
344.12677	14.5
345.13208	2.3
359.14978	34.3
360.15381	3.4
408.07431	0.9
450.95331	1.0
503.19250	90.0
504.19513	11.5
521.20294	57.3
522.20648	7.1
524.20868	0.9
563.41718	1.0
659.26294	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	659.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52905	0.7
57.03320	1.3
59.01249	7.5
61.98700	3.3
65.00185	1.0
67.01756	1.3
68.99707	0.9
69.03317	1.1
71.01262	7.3
71.57205	1.0
72.99178	1.9
73.02827	0.8
75.00769	0.6
79.01744	0.8
81.03322	1.3
82.34258	0.7
83.01243	2.2
83.04897	3.0
85.02822	2.5
85.93388	0.6
87.00761	1.1
89.02307	3.0
95.01271	1.2
96.95865	1.1
97.02853	0.9
101.02316	3.5
105.45615	0.6
107.01278	12.0
109.06494	1.0
111.00774	6.6
111.08057	1.4
113.02316	1.8
113.45036	0.6
119.03381	0.9
123.00768	9.4
124.01540	4.3
125.02338	36.3
125.05957	0.7
125.42361	0.7
126.02679	1.5
127.00246	2.1
127.03914	1.6
136.98697	3.6
137.05946	2.2
137.09637	0.9
139.00264	6.7
139.07591	0.8
140.01057	9.9
141.01831	1.1
149.02348	0.9
151.00269	12.7
151.11201	1.9
153.12805	0.7
154.12352	0.7
154.99741	0.7
155.07036	12.3
156.07401	1.1
161.02405	1.0
161.04498	1.5
163.11192	1.1
166.99815	0.8
168.00546	10.9
169.01338	69.0
169.12242	8.0
170.01691	3.3
171.10281	1.0
176.06363	0.7
183.13802	0.9
185.11790	1.0
193.01379	2.2
195.02835	0.9
197.11783	1.6
199.13313	2.6
207.10202	0.8
207.72829	0.8
209.11778	18.4
210.12115	9.1
211.13420	15.5
212.13673	8.2
213.11261	1.6
213.13960	2.4
225.11255	1.0
225.14890	1.5
227.12825	5.6
228.13170	1.6
235.08340	1.4
253.09167	2.2
254.09702	1.2
271.09262	0.8
289.07190	6.5
307.08228	100.0
308.08575	8.5
326.06125	0.7
349.09314	14.3
350.09485	1.3
379.10284	1.4
409.11389	12.0
410.11743	1.2
449.20126	1.1
469.13507	8.2
503.32263	1.5
521.33459	1.2
615.37341	1.1
658.35364	1.5
659.25598	21.1
659.35718	6.7
660.25934	4.6
660.36865	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97765	0.4
57.03325	0.6
59.01252	9.4
60.99172	0.9
62.10632	0.5
63.02264	1.2
65.00200	1.0
71.01256	8.8
71.57802	0.7
72.99166	0.6
73.02849	0.6
75.00715	0.4
83.01266	1.4
85.02823	1.9
88.98692	4.0
89.02312	8.5
93.03338	1.6
95.01273	1.6
96.95878	1.3
97.02803	0.6
101.02323	4.8
101.10539	0.4
107.01277	4.2
109.02824	1.0
111.00749	0.7
113.02332	3.1
119.03387	3.6
123.00791	2.9
123.13219	0.4
125.02335	6.2
135.00737	0.5
137.02304	0.9
139.00294	0.6
140.01077	0.4
141.01822	0.6
143.03415	0.8
143.04921	1.2
145.02841	0.9
151.00290	6.8
151.03889	0.7
153.01842	0.9
159.04433	1.2
161.02377	0.8
161.04451	1.0
163.00259	2.1
164.01060	0.7
165.01826	0.6
166.99736	0.9
167.03398	0.6
168.00452	0.8
169.01347	10.7
169.06534	0.8
173.05888	0.4
177.01848	0.7
179.05490	1.4
185.06000	2.1
187.03935	2.0
189.05447	1.1
192.07811	0.5
195.04405	0.6
197.06029	0.5
199.03828	0.7
211.03975	1.3
213.05510	1.9
213.21849	0.4
219.96956	0.5
227.03439	1.8
229.05011	8.4
239.03543	1.0
241.05058	1.2
243.02943	0.6
255.02861	0.9
256.03653	0.9
257.04565	6.7
267.03058	0.8
271.04868	0.6
283.04593	13.1
284.05191	0.7
285.04044	100.0
286.04419	6.2
299.98999	0.6
300.99899	2.3
507.15097	1.3
569.09442	4.2
570.09912	1.1
599.38361	0.5
608.15186	0.6
659.13885	1.0
659.25195	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.1
59.01248	8.2
61.98696	1.9
65.00227	1.5
66.74795	1.0
69.03300	1.3
70.44428	3.8
71.01253	7.0
72.01572	1.0
78.95766	1.7
80.02562	1.0
83.01250	2.2
83.04893	5.5
85.02841	1.4
87.00742	1.1
89.02324	3.0
96.95872	1.6
101.02322	4.6
107.01257	3.9
109.02812	1.8
109.85670	1.0
113.02310	3.0
119.03370	1.4
121.02890	1.9
123.00790	2.5
125.02328	5.4
147.00839	1.3
151.00284	9.3
151.11172	3.0
153.01807	1.5
155.07071	1.8
161.04453	2.6
163.00278	2.5
163.11200	2.8
165.12767	2.0
169.01360	7.0
169.12238	8.0
171.10210	2.5
178.99715	4.1
183.13879	4.9
184.14178	2.4
185.11789	2.5
191.10738	1.6
193.12140	1.8
197.11688	1.9
199.03969	3.4
199.13301	2.2
209.11771	59.9
210.12112	31.0
211.04008	1.3
211.13379	63.9
212.13692	33.6
213.11264	2.4
213.13931	6.5
215.03564	1.8
216.04251	1.0
226.02693	6.2
227.03439	8.5
227.12831	12.4
228.13135	7.3
235.08185	2.0
236.08490	1.1
242.02325	1.0
242.18758	1.0
243.02959	27.1
244.03305	2.3
245.04614	1.1
253.09212	8.6
254.02176	7.9
254.09587	3.3
255.02988	15.0
271.02475	100.0
272.02942	9.4
299.01895	2.1
300.02740	62.3
301.00027	1.1
301.03452	27.2
314.01031	1.2
343.04343	1.7
353.83853	1.1
445.07639	1.6
448.22467	1.5
449.20624	1.6
469.13449	1.3
640.32660	1.7
643.19434	1.4
658.34869	4.7
659.14105	75.0
659.31940	13.5
660.14465	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	659.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01583	1.0
71.01266	0.6
71.57159	0.6
71.57535	0.6
77.35315	0.5
79.15626	0.5
99.92495	2.2
116.92743	19.1
117.92760	1.0
123.00774	0.6
125.02340	1.4
137.02376	2.0
149.02382	0.5
151.03969	0.8
165.01846	13.5
166.02304	0.7
169.01352	2.2
179.03429	10.4
180.04205	9.3
181.05026	2.2
193.08612	0.8
194.05759	3.1
195.06569	18.9
195.08305	1.1
196.07254	2.7
197.08128	0.8
210.05334	3.8
211.09648	2.9
225.07642	27.2
226.08037	1.6
271.04825	0.7
274.76834	0.6
300.99930	1.8
301.03345	0.7
326.03317	0.7
349.00006	0.6
359.11398	4.2
365.01123	0.6
374.13843	6.4
385.28845	0.6
389.16080	34.1
390.16302	3.3
419.16821	0.6
421.85080	0.6
430.97403	0.7
437.18143	19.6
438.18674	2.2
507.09995	0.7
659.17065	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	657.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.4
59.01248	3.3
69.03298	0.4
70.33623	0.8
71.01253	2.5
73.02824	0.6
77.89649	0.3
80.02554	0.7
81.03309	0.6
83.01265	0.5
83.04897	3.0
84.02043	0.4
85.02825	0.6
85.25497	0.3
87.00743	0.4
89.02309	1.9
95.01238	0.5
95.04884	0.4
98.20522	0.4
99.00715	0.3
101.02332	1.9
107.06813	0.3
113.02332	1.4
125.05952	0.5
127.97758	0.3
129.45807	0.3
145.05019	0.4
161.04468	1.3
163.11188	2.6
165.12827	1.8
165.14046	0.3
167.14241	0.7
171.10161	1.1
179.05466	0.4
181.12166	0.5
183.13828	7.4
184.14168	0.5
191.10666	0.8
193.12253	1.9
204.57069	0.3
209.11774	74.8
210.12108	4.3
211.13338	100.0
212.13670	6.1
227.12845	9.0
228.13115	0.5
235.08206	3.3
249.14957	1.8
253.09262	9.4
254.09746	0.4
327.50125	0.3
352.49170	0.5
403.24374	0.4
445.20673	0.6
447.22351	3.3
448.22122	0.6
621.33380	0.5
639.32904	0.6
657.33905	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.6
59.01257	2.3
61.98726	0.4
65.00224	0.3
67.01738	0.4
68.00485	0.3
69.03336	0.4
71.01254	1.9
71.04866	0.3
72.99184	0.4
78.95776	0.4
81.03349	0.3
83.01263	0.4
83.04914	1.0
85.02843	0.8
87.62348	0.3
89.02335	0.8
95.01265	0.9
97.02824	0.7
99.04398	0.9
101.02305	1.4
107.01299	1.6
109.06563	0.3
111.00777	1.0
111.04424	0.4
113.02344	0.6
113.05987	0.5
120.94500	0.3
123.00781	4.9
123.04433	0.4
125.02349	5.0
127.00188	0.3
127.11128	0.4
135.04456	0.5
135.08014	0.7
136.05191	0.9
136.98746	0.3
137.05997	0.6
139.00261	1.2
140.01056	0.9
141.01862	0.6
149.05989	6.2
150.06776	58.6
151.00287	3.1
151.07080	2.7
153.05409	0.3
155.07127	0.3
161.09592	0.5
162.06842	0.4
163.07571	9.0
164.08353	9.4
165.00507	0.3
165.08954	0.5
168.00591	1.0
169.01343	6.9
170.94272	0.3
176.08356	1.0
177.09106	0.6
178.09903	3.4
179.10710	32.5
180.11081	1.6
183.13802	0.3
193.08685	0.7
209.11787	7.7
210.12186	1.1
211.02438	0.6
211.13353	6.9
212.13637	0.6
227.12917	0.5
235.08269	0.4
253.09395	0.9
281.40353	0.3
285.82095	0.3
336.18918	0.4
359.07706	0.3
392.05356	0.3
462.33600	1.3
477.35776	1.3
480.34534	12.6
481.34763	1.7
494.36240	5.1
495.36929	100.0
496.37289	15.1
505.00266	0.3
627.33368	0.3
657.34735	23.3
658.35034	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	657.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.6
56.96915	0.3
57.80213	0.3
59.01248	3.0
69.03346	0.4
71.01254	2.4
73.02814	0.5
75.85083	0.3
80.02547	1.0
81.03323	1.2
83.01259	0.5
83.04900	4.1
84.02054	0.7
85.02814	0.7
87.00760	0.4
89.02306	1.9
95.04884	0.7
97.56784	0.4
101.02309	2.8
113.02339	1.1
115.15348	0.3
125.05894	0.4
129.91377	0.3
135.08058	0.8
145.04974	0.5
161.04477	1.2
163.11215	3.7
165.12761	2.6
167.10710	0.4
167.14281	0.4
171.10162	1.4
181.12309	0.7
183.13826	5.8
184.14105	0.7
191.10637	0.7
193.12245	1.6
209.11774	100.0
210.12128	7.1
210.14099	0.2
211.13336	89.6
212.13683	5.4
220.18027	0.3
227.12846	13.4
228.13109	0.8
235.08168	3.4
249.15016	1.0
253.09267	9.0
254.09700	0.4
352.75455	0.4
385.23596	0.4
403.24710	0.8
421.25882	0.4
445.20667	1.2
447.22321	2.5
448.23007	0.5
457.27005	0.4
463.21667	0.4
621.32806	1.1
639.33679	0.6
657.35687	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25741	0.2
53.91058	0.2
54.27031	0.3
58.00478	0.3
59.01250	3.4
69.03320	0.3
71.01254	2.5
71.06255	0.5
71.06580	0.4
73.02829	0.6
80.02543	1.0
81.03337	1.1
83.01266	0.4
83.04902	4.4
84.02048	0.8
85.02813	0.9
87.00753	0.7
89.02325	1.9
95.01260	0.5
95.04906	0.5
97.02867	0.3
101.02325	2.2
106.81117	0.2
108.59391	0.2
111.08065	0.4
112.81911	0.2
113.02363	1.4
119.03400	0.4
133.26849	0.3
135.08052	0.5
145.04947	0.4
147.11737	0.4
161.04446	1.1
163.11218	3.0
163.43585	0.3
164.11499	0.4
165.12758	2.3
167.10748	0.3
167.14304	0.5
171.10210	1.3
181.12346	0.5
183.13828	6.1
184.14119	0.6
191.10690	0.6
193.12263	1.9
209.11775	80.2
210.12148	4.5
211.13341	100.0
212.13673	5.9
213.17412	0.2
227.12843	10.1
228.13200	0.4
235.08232	3.6
249.14960	1.4
253.09270	8.9
280.92877	0.3
307.80844	0.3
385.23627	0.3
403.24939	0.5
417.63132	0.3
445.20517	0.5
447.22498	2.8
462.05573	0.3
462.11923	0.3
530.46521	0.3
608.33173	0.3
621.33246	0.6
639.33917	0.5
652.16663	0.3
657.34698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.8
63.02274	1.2
65.00195	2.6
69.44714	5.0
83.01260	1.5
87.00749	0.7
93.03349	0.7
96.95897	0.9
101.02301	0.6
107.01255	5.6
108.02044	2.5
109.02833	2.6
111.00793	0.8
113.02299	0.8
119.01318	0.6
121.02830	3.1
123.00729	1.2
125.02364	3.2
133.02814	0.5
134.03551	0.7
134.17500	0.5
135.00784	1.1
135.04379	1.4
136.01569	1.7
139.00273	0.8
145.02893	0.7
147.04402	0.9
148.01598	1.9
149.02286	0.7
151.00293	14.5
151.03931	1.5
153.01834	0.8
154.99857	0.6
157.06616	0.5
160.01598	0.8
161.02351	2.5
163.00287	4.2
163.03978	0.7
165.01819	1.0
166.99809	0.7
168.18544	0.5
169.01350	6.0
175.03934	1.8
177.01843	0.6
178.99786	8.5
179.03311	0.8
187.03819	0.8
190.99847	1.1
193.01378	2.1
193.75037	0.6
195.06480	0.7
199.03929	1.3
200.44218	0.5
201.01807	0.7
203.03416	1.5
211.03880	1.7
213.01749	0.6
215.03462	1.3
216.04320	0.8
226.02605	1.9
227.03517	4.0
229.05017	1.0
239.03506	1.1
243.02971	12.4
244.00189	0.5
244.03320	1.0
245.04471	1.2
254.02138	2.3
255.02968	29.8
256.03265	3.4
257.04709	0.8
259.02481	0.8
271.02472	60.1
272.02899	6.5
273.03989	1.8
283.02393	1.6
285.04013	2.0
287.02017	1.5
299.01868	4.4
300.02744	100.0
301.03461	49.6
302.03915	2.8
304.85446	0.6
314.04398	2.2
314.22214	0.7
315.01465	3.6
315.04959	2.3
317.03027	0.6
318.08466	0.7
323.07721	1.1
337.09341	0.7
346.03201	2.3
351.15475	0.6
450.09464	1.4
451.10217	1.2
463.08823	34.8
464.09174	3.7
477.10410	1.1
505.09796	26.7
506.10248	2.5
530.02570	0.6
613.15619	1.8
639.13550	23.8
640.13873	4.3
657.14655	11.5
657.25531	1.1
658.14636	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	6.1
60.50475	0.5
61.98696	0.8
65.00193	1.3
67.01762	1.0
68.99702	0.7
69.03334	1.0
71.01261	4.3
71.58208	0.6
72.99181	1.2
79.01758	1.2
81.03316	0.7
81.38131	0.4
83.01260	1.5
83.56535	0.5
85.02826	1.8
85.89532	0.4
87.00766	0.9
88.98692	2.2
89.02319	1.4
91.05406	0.5
93.03328	1.2
95.01276	3.4
95.04951	0.5
96.95889	4.1
97.02828	1.2
99.00771	0.6
101.02318	2.4
107.01276	14.2
107.04907	1.6
108.02102	0.5
109.02824	2.5
109.06491	2.0
111.00787	4.0
113.02344	1.6
116.92738	0.8
117.03358	1.0
119.03403	0.6
121.02859	1.1
123.00771	11.1
123.04404	1.1
124.01575	5.0
125.02348	25.9
126.02668	1.1
127.00242	1.9
129.01733	0.8
135.04391	3.7
136.98682	2.8
137.02335	1.0
139.00276	5.4
139.03922	8.9
140.01065	6.3
141.01828	1.8
150.03120	0.5
151.00244	2.7
153.01854	1.4
153.05470	2.5
155.07103	1.1
159.04410	1.5
163.00243	0.8
163.03926	0.6
165.01868	1.2
165.05475	0.6
166.99759	2.5
168.00568	8.9
169.01347	28.1
170.01691	1.2
172.05220	0.8
173.02373	0.5
173.06033	1.5
175.03947	1.0
178.99815	0.7
181.01326	1.4
183.02925	19.2
184.03165	0.9
191.07072	0.8
199.09698	1.0
224.05096	0.5
227.03487	0.5
240.04271	0.5
241.05037	2.1
255.02919	1.4
271.02423	1.9
275.01984	0.7
279.06647	0.6
280.07230	0.5
281.08167	2.2
284.03159	0.9
285.03928	0.8
287.01810	0.5
293.08301	1.3
294.08926	1.0
295.09805	1.6
299.01889	1.4
299.09164	0.8
299.99313	0.8
300.02731	1.8
300.99881	2.2
301.03195	1.0
311.09378	0.9
312.09702	0.5
313.10828	1.4
324.99890	0.5
341.13980	0.7
344.12726	2.2
345.12943	0.6
359.14981	3.2
360.15207	0.7
463.09137	0.5
465.11981	2.5
479.14038	0.7
496.13431	0.6
497.14600	2.7
503.19501	1.2
521.20276	6.6
522.20306	0.9
525.14203	1.1
540.16858	0.5
567.11353	1.4
599.91528	0.5
613.15216	0.6
642.19714	1.0
657.21893	100.0
658.22327	20.5
658.31384	0.4
658.33606	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25367	0.4
55.01760	0.8
57.03328	1.0
57.18680	0.4
59.01243	3.6
61.98705	1.0
65.00180	0.4
65.03825	0.4
69.03331	1.4
69.45096	3.7
71.01258	7.5
72.99165	0.6
73.02818	1.2
75.00774	0.4
78.48948	0.5
78.95757	0.5
81.03330	0.8
83.01259	1.0
83.04899	1.2
85.02824	2.2
89.02322	1.1
93.03336	1.0
93.06972	1.4
95.01273	1.0
95.04887	0.7
96.95887	1.2
97.02830	0.8
99.00742	0.6
101.02329	3.2
104.72661	0.4
107.01267	1.7
108.02068	1.6
109.02845	1.4
109.06499	2.5
111.00755	0.8
111.08035	2.7
113.02341	3.0
117.03432	0.7
117.87991	0.4
121.02856	5.5
122.03649	2.5
123.00782	2.5
123.04419	0.8
124.01579	0.9
125.02337	8.2
125.05979	0.7
126.02700	0.7
133.06444	0.7
134.03644	0.7
135.04408	1.7
136.01561	88.6
136.98688	0.5
137.02242	2.8
137.05959	2.8
138.03024	0.5
139.00250	1.3
140.00966	0.7
143.03348	0.6
147.04324	0.4
149.02437	0.5
149.05997	1.2
150.06772	0.7
151.03914	100.0
152.04268	3.8
154.02545	0.4
155.07042	40.4
156.07385	1.4
159.02902	0.6
159.04442	1.1
160.05182	2.0
161.02374	0.9
161.04459	3.0
161.05870	0.9
162.03133	1.3
163.03897	1.5
168.00525	1.0
169.01357	8.3
171.10167	0.5
173.05986	1.0
175.03848	0.8
175.07556	1.4
177.05493	1.4
179.07072	1.3
179.10703	0.5
183.13770	0.4
193.04887	0.6
197.08127	1.0
209.11771	7.5
210.12151	2.5
211.13388	4.8
227.12836	0.8
243.11562	0.5
246.98633	0.5
251.09338	0.9
253.09280	0.6
285.00461	0.5
297.97491	1.7
298.98199	0.6
299.11417	0.5
299.99149	0.6
300.99704	0.7
311.12943	0.8
312.99982	3.0
313.05582	5.5
314.00833	0.6
314.06012	0.7
328.02145	3.0
329.02881	1.9
342.11151	4.5
343.04608	3.1
343.11404	0.5
344.05014	0.6
357.13428	75.6
358.13788	7.0
491.08334	0.8
491.19165	0.8
495.37009	0.7
503.19199	0.7
656.33301	0.5
657.11029	2.6
657.34937	2.7
658.11432	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	2.3
65.00197	2.1
69.25912	9.9
70.96870	1.1
71.23675	0.9
83.01270	1.9
83.04940	0.9
89.02310	1.1
93.03344	1.0
98.20507	2.0
101.01225	1.1
107.01266	5.4
108.02061	2.0
109.02835	1.9
111.00760	1.6
121.02834	2.7
125.02335	3.5
135.00751	1.2
135.04442	2.0
136.01556	1.3
137.02332	1.5
139.03993	1.1
147.04430	1.1
148.01584	2.3
149.02351	2.2
151.00284	15.7
151.03981	1.2
152.03503	1.3
160.33026	1.0
161.02367	2.6
163.00331	2.3
165.01768	1.5
166.04982	1.2
169.01390	5.8
173.61237	0.9
175.03902	1.3
178.99825	7.6
187.03964	1.4
190.99864	1.0
193.01291	1.9
199.03976	2.3
203.03503	2.2
211.03969	1.4
215.03552	1.6
226.02684	1.7
227.03453	4.2
232.43024	1.0
243.02982	14.4
245.04541	1.4
254.02090	1.7
255.02974	28.8
256.03424	3.0
259.02429	1.3
271.02481	62.9
272.02948	5.5
273.03741	1.7
283.02673	1.2
285.03879	1.3
287.02039	3.7
299.01901	4.5
300.02747	100.0
301.00174	2.0
301.03458	45.9
302.03854	3.5
314.04416	2.7
315.01511	7.0
315.04779	2.0
316.02002	1.4
332.01340	1.1
332.41168	1.0
346.03360	3.0
445.07480	1.3
451.09735	1.7
463.08923	33.3
464.09268	4.5
505.09894	24.3
506.10129	2.6
613.15594	2.3
639.13580	19.7
640.14075	3.8
657.14594	11.7
658.14319	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	656.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87482	2.2
59.01233	4.5
63.02270	3.2
64.62021	2.3
65.00206	4.2
65.99728	2.7
69.34650	2.2
69.69543	2.3
71.01262	7.5
76.36024	2.3
83.01226	4.2
89.02321	3.4
95.01263	4.4
96.95889	4.6
107.01275	15.9
109.02824	3.9
111.00754	5.9
121.02898	2.6
123.00769	8.3
124.01546	4.4
125.02328	39.3
126.02603	2.8
134.02408	4.8
135.00800	3.8
137.02347	6.1
139.00264	5.7
144.60135	2.8
146.02390	3.7
149.02327	3.4
151.00287	19.3
161.02455	3.3
162.01874	8.7
163.00285	7.1
164.03471	3.9
166.99734	10.6
168.00519	7.2
169.01346	57.9
170.01665	2.5
177.01891	12.9
178.99785	8.9
186.01999	2.5
190.01352	13.8
191.01851	2.7
196.74858	2.6
204.02930	14.5
208.02457	19.6
211.02330	14.3
227.03438	13.3
233.16733	2.5
234.65793	2.5
250.05046	2.7
255.02968	14.3
256.03812	5.1
266.04660	7.8
267.02988	4.6
268.03415	2.7
269.04599	17.4
270.04614	2.8
271.02362	3.9
271.04663	29.6
278.04617	5.1
279.03006	6.5
283.02548	5.0
284.03342	17.6
284.21323	2.9
285.04034	11.2
294.04178	2.9
295.04813	3.0
297.03922	18.3
300.02667	4.9
300.99951	6.2
301.03510	8.5
305.03369	2.9
306.04092	36.4
307.04330	2.9
313.05753	17.4
323.04404	10.7
324.05139	100.0
325.05292	9.1
331.06766	6.7
374.68765	2.4
383.71069	2.9
384.09018	3.6
410.07422	2.9
447.09171	11.0
465.10028	3.9
486.10498	11.9
504.11240	5.8
536.10480	22.1
614.11517	2.8
615.09460	6.0
638.11469	39.9
639.11853	6.9
656.12531	21.0
657.13025	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	657.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15182	1.6
59.01248	18.7
61.98691	2.2
64.66519	1.9
69.01959	2.0
69.03341	2.6
69.40427	4.7
69.40851	12.7
71.01254	16.1
72.99193	2.8
83.01216	3.3
85.02825	5.3
87.00760	4.6
88.98689	2.6
89.02306	6.5
93.03333	3.0
95.01299	4.2
95.37352	1.7
96.95894	27.2
97.02841	2.4
99.00761	2.4
101.02313	5.9
107.01290	22.5
107.04934	1.9
111.00770	3.5
113.02313	5.4
116.92722	2.9
121.02808	3.4
123.00765	15.9
124.01552	5.2
125.02345	88.0
126.02706	2.4
134.03636	8.6
135.04384	4.6
136.01535	5.1
137.02336	4.9
139.00278	4.0
139.03899	3.6
140.01022	4.1
141.01895	3.0
147.04500	2.7
149.02341	2.8
149.06065	3.4
151.00322	10.2
151.03922	5.2
153.01839	2.1
155.07040	4.6
159.04419	1.9
160.01553	4.3
161.02310	3.6
164.83810	1.8
165.01884	5.7
165.05508	2.8
166.99765	2.8
168.00523	8.3
169.01344	100.0
170.01711	4.5
175.02570	2.5
175.03975	7.0
176.04781	4.7
177.01825	4.7
179.03397	2.9
180.04169	2.9
181.01274	2.0
183.02849	3.9
187.11102	2.3
190.99706	2.1
191.07022	3.1
192.03952	1.9
193.01439	1.9
193.04985	8.3
195.06540	1.8
211.02452	4.6
222.98753	1.9
235.06136	10.6
241.03313	1.9
245.00757	3.1
247.02554	2.4
255.02873	4.2
257.01016	2.6
265.07108	2.6
269.98068	7.0
270.98792	10.8
271.02118	2.8
271.04721	3.3
275.02029	3.3
283.99472	2.3
285.00418	14.0
285.03983	5.2
286.01154	2.9
295.08139	4.7
297.97552	29.5
298.98410	22.2
299.01685	3.2
299.99332	9.5
300.02539	3.4
301.00012	17.4
301.03299	2.8
302.00229	2.8
303.01245	2.0
312.99985	61.6
313.05621	96.9
314.00623	43.6
314.06067	6.5
315.01385	9.0
324.99957	5.7
326.00272	4.1
327.00531	5.3
328.02240	52.4
329.02972	83.8
330.03296	5.4
343.04602	34.0
344.04709	2.4
491.08163	23.4
498.89160	2.1
625.07721	2.0
657.11292	59.9
657.22888	8.1
658.11584	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	655.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32490	0.6
57.32095	0.6
58.66224	0.6
59.01056	2.9
59.01396	5.1
61.98834	0.7
71.01003	1.3
71.01421	3.0
71.15590	1.4
73.02961	0.9
81.03490	0.9
83.05077	1.9
85.02559	0.6
85.02988	1.4
87.00887	0.8
89.02011	1.2
89.02512	1.8
95.01402	0.9
95.05068	1.1
97.02467	0.7
97.03002	1.1
101.01920	1.2
101.02525	1.8
107.01460	1.3
107.05126	0.6
109.06689	2.5
113.02482	1.4
119.03578	0.7
122.03773	0.7
123.01021	4.6
124.06275	0.6
125.01579	1.3
125.02583	4.8
125.09844	0.8
127.11382	1.2
127.27126	0.6
135.08260	1.0
139.00476	1.4
140.01286	1.2
141.02080	0.9
149.06190	1.4
150.07031	47.0
151.00543	2.3
151.07393	1.4
161.04674	0.8
161.09842	1.1
163.07835	6.5
163.10226	0.8
163.11429	2.7
164.08617	7.8
165.13008	1.0
168.00810	1.4
169.01627	6.3
171.10367	1.9
176.89967	0.7
178.10188	2.8
179.09326	2.0
179.10977	27.5
180.11374	2.2
181.12488	0.8
183.14084	0.9
185.12080	2.5
189.43437	0.6
206.90868	0.7
207.10162	6.7
209.09935	2.8
209.11771	50.9
210.12065	3.5
211.13353	7.7
212.13972	0.7
225.11322	4.2
227.12782	3.1
235.08446	1.1
249.15221	1.0
253.09518	2.9
297.72913	0.7
306.18384	1.4
321.21036	2.1
329.24866	0.9
350.21201	0.9
362.29987	0.6
373.23969	0.8
383.22546	2.5
401.23431	5.1
406.78424	0.8
419.24591	2.6
447.32791	0.6
461.20181	0.8
461.69952	0.8
475.34247	1.1
478.33063	7.3
492.34665	2.9
493.35349	100.0
494.35709	14.1
609.32977	0.8
637.32172	7.3
638.32587	2.0
650.65448	0.8
655.32977	24.7
656.33545	6.1
664.20850	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32490	0.6
57.32095	0.6
58.66224	0.6
59.01056	2.9
59.01396	5.1
61.98834	0.7
71.01003	1.3
71.01421	3.0
71.15590	1.4
73.02961	0.9
81.03490	0.9
83.05077	1.9
85.02559	0.6
85.02988	1.4
87.00887	0.8
89.02011	1.2
89.02512	1.8
95.01402	0.9
95.05068	1.1
97.02467	0.7
97.03002	1.1
101.01920	1.2
101.02525	1.8
107.01460	1.3
107.05126	0.6
109.06689	2.5
113.02482	1.4
119.03578	0.7
122.03773	0.7
123.01021	4.6
124.06275	0.6
125.01579	1.3
125.02583	4.8
125.09844	0.8
127.11382	1.2
127.27126	0.6
135.08260	1.0
139.00476	1.4
140.01286	1.2
141.02080	0.9
149.06190	1.4
150.07031	47.0
151.00543	2.3
151.07393	1.4
161.04674	0.8
161.09842	1.1
163.07835	6.5
163.10226	0.8
163.11429	2.7
164.08617	7.8
165.13008	1.0
168.00810	1.4
169.01627	6.3
171.10367	1.9
176.89967	0.7
178.10188	2.8
179.09326	2.0
179.10977	27.5
180.11374	2.2
181.12488	0.8
183.14084	0.9
185.12080	2.5
189.43437	0.6
206.90868	0.7
207.10162	6.7
209.09935	2.8
209.11771	50.9
210.12065	3.5
211.13353	7.7
212.13972	0.7
225.11322	4.2
227.12782	3.1
235.08446	1.1
249.15221	1.0
253.09518	2.9
297.72913	0.7
306.18384	1.4
321.21036	2.1
329.24866	0.9
350.21201	0.9
362.29987	0.6
373.23969	0.8
383.22546	2.5
401.23431	5.1
406.78424	0.8
419.24591	2.6
447.32791	0.6
461.20181	0.8
461.69952	0.8
475.34247	1.1
478.33063	7.3
492.34665	2.9
493.35349	100.0
494.35709	14.1
609.32977	0.8
637.32172	7.3
638.32587	2.0
650.65448	0.8
655.32977	24.7
656.33545	6.1
664.20850	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55744	0.2
51.65266	0.2
55.01766	0.3
56.35266	0.2
57.03323	0.4
58.00451	0.2
59.01252	2.7
62.34296	0.2
71.01248	2.4
72.99158	0.2
73.02811	0.5
80.02549	0.8
81.03339	1.2
83.01282	0.5
83.04897	4.1
84.02028	0.4
85.02820	0.7
87.00746	0.6
89.02307	1.2
95.04902	0.8
97.02807	0.3
97.06467	0.5
98.19849	0.6
99.04399	0.3
101.02322	1.7
109.06482	1.2
111.04360	0.2
113.02337	1.3
119.03385	0.4
121.02872	0.3
123.00797	0.2
123.08089	0.3
125.05972	0.2
125.09605	0.7
135.08087	0.8
145.04922	0.2
145.84462	0.2
147.11842	0.2
149.05962	0.4
150.06770	8.4
151.07465	0.3
161.04475	0.7
163.07553	1.6
163.11197	3.6
164.08392	1.3
165.12759	1.9
169.01329	0.2
171.10185	2.1
178.09947	0.6
179.10696	4.6
180.11070	0.2
181.12238	0.7
185.11729	0.9
191.10722	0.9
207.10165	1.8
209.11772	100.0
210.12112	5.6
211.13324	2.7
223.13135	0.3
225.11275	0.8
227.12837	5.5
228.13168	0.5
231.13957	0.3
235.08211	1.5
247.13344	1.0
249.14893	1.0
253.09259	5.3
265.14355	0.4
285.03970	0.2
294.80862	0.2
335.22232	0.3
339.23163	0.3
364.22662	0.6
373.23914	0.4
383.22433	1.1
391.24872	0.4
401.23264	2.9
419.24448	1.7
445.21173	1.0
461.20505	0.2
478.33005	1.0
492.34558	0.6
493.35361	17.1
494.35760	2.1
583.90717	0.2
607.18994	0.2
609.32794	0.2
619.31256	0.4
637.32166	5.3
638.32623	1.0
655.33026	2.5
656.33533	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.3
59.01254	30.9
62.35466	2.2
71.01246	21.9
73.02828	3.6
80.02569	2.9
81.03326	3.0
83.01232	3.0
83.04890	6.4
85.02824	7.0
87.00751	7.9
89.02328	13.2
95.01275	3.4
95.04890	3.3
97.02851	10.8
98.19750	4.0
101.02319	19.9
107.04933	2.5
109.06485	34.3
113.02337	10.5
119.03428	3.7
123.08048	3.2
125.02313	5.7
125.09612	7.7
135.08046	4.3
142.02628	2.1
143.03406	2.5
145.04974	2.9
161.04538	5.1
163.11220	19.4
169.01340	3.7
171.10147	3.7
179.05675	2.2
181.12334	5.1
183.13835	11.5
185.11763	25.2
189.09142	3.6
193.12241	3.6
199.13316	2.5
207.10229	85.4
207.12192	4.4
208.10497	2.4
209.11755	21.8
211.13345	96.6
212.13676	5.6
221.15475	3.8
225.09247	3.8
225.11313	46.7
226.11525	3.2
227.12701	2.6
233.11685	3.5
235.08136	10.6
247.13277	4.6
249.14993	2.7
251.12759	6.9
253.09247	13.0
263.16461	3.3
281.19788	2.5
285.14944	2.9
321.21970	3.0
329.24869	5.8
339.23248	13.8
355.22787	3.8
357.24374	5.6
365.21185	2.8
373.23813	9.5
375.21518	3.6
375.25754	2.9
383.22360	27.9
391.24799	9.5
401.23267	53.3
402.23569	7.1
409.26706	2.2
419.19431	2.8
419.24393	28.3
443.19275	5.5
446.64697	2.9
461.20407	13.3
475.27167	3.1
477.28442	2.6
602.67975	2.3
609.32788	9.0
619.31067	11.1
627.33563	3.5
637.32306	100.0
638.32727	14.7
655.33038	48.0
656.33441	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	655.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91455	1.9
55.72809	2.1
57.03329	4.2
59.01257	23.4
60.28572	2.3
61.98705	2.6
69.03305	2.4
71.01310	19.3
73.02814	3.0
81.03321	3.1
83.01250	4.6
83.04401	2.4
83.04899	5.0
85.02832	7.1
87.00765	5.0
89.02325	9.9
95.01276	3.3
95.04918	2.4
97.02839	8.3
101.02303	15.1
107.01295	4.1
109.06470	22.8
113.02358	6.8
123.00749	3.8
125.02357	13.2
125.09608	6.1
138.01860	3.4
145.04999	3.4
156.89607	2.7
161.04427	4.2
161.09596	2.7
163.11212	13.3
169.01317	9.5
170.52565	2.1
171.10188	10.7
176.65627	2.2
181.12233	3.4
183.13828	6.5
185.11763	19.7
185.13258	3.1
193.12262	3.0
203.14328	2.7
205.12206	4.6
207.10219	57.5
208.10616	2.8
209.11787	17.9
211.13350	100.0
212.13707	4.2
221.15427	6.1
223.13379	3.0
225.11256	33.4
235.08180	6.3
247.13364	5.5
249.15031	2.4
251.12885	6.4
253.09204	11.3
298.39349	2.7
300.91745	2.2
329.24673	2.5
339.23352	6.8
355.22797	3.8
357.24274	3.6
373.24048	10.6
379.49503	2.4
383.22336	26.4
391.24966	7.6
401.23294	45.0
402.23569	3.5
407.91095	2.5
419.24329	17.9
420.24527	3.8
461.20267	9.1
475.26700	2.7
609.32739	7.0
619.31311	8.2
637.32361	79.4
638.32806	14.6
655.33221	59.5
656.33752	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	655.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27697	0.6
55.01738	0.9
57.03307	0.6
57.28243	0.5
58.00451	0.7
59.01253	13.5
62.16416	0.5
69.02724	0.6
69.03332	1.5
69.25753	6.2
71.01254	8.7
72.99182	0.7
73.02823	1.9
75.00712	0.6
80.02537	0.8
81.03334	1.7
83.01252	1.4
83.04911	3.2
85.02822	2.4
87.00760	3.4
89.02319	5.2
93.03307	0.7
95.01230	0.6
95.04901	1.3
97.02828	6.2
97.06480	1.1
98.20602	1.2
99.00745	1.9
101.02319	6.3
107.04875	0.7
109.06469	21.5
110.03636	1.3
111.04427	0.6
113.02328	3.2
114.29182	0.6
119.03407	1.2
121.06492	1.9
123.08096	0.7
125.02426	0.6
125.09632	1.7
127.91470	0.5
135.08067	2.3
136.05191	1.3
137.23744	0.5
140.75710	0.6
142.02628	2.0
143.03432	0.8
145.04951	1.8
145.10173	0.8
146.78563	0.6
153.02748	0.5
161.04475	2.9
161.05772	0.5
161.09631	2.5
163.11192	14.1
171.10095	0.8
179.05592	0.7
179.40219	0.5
181.12267	3.5
183.13864	8.9
184.14178	1.0
185.11787	5.1
189.09151	2.1
193.12250	2.3
201.21712	0.6
207.10214	57.4
208.10547	4.0
209.11789	6.4
211.13342	100.0
212.13686	7.7
221.15428	1.6
223.13170	0.7
225.11276	26.8
226.11607	1.9
233.11731	1.7
235.08231	4.9
249.14857	0.7
251.12918	1.6
253.09294	9.8
263.16516	0.8
275.12833	0.6
275.16568	1.0
299.14871	0.9
321.22696	0.7
329.24747	1.4
339.23294	2.3
355.22897	0.7
357.24310	1.5
365.21185	1.2
373.23840	5.5
375.25436	0.9
383.22232	7.6
384.22427	0.7
391.24854	4.6
392.25372	0.9
401.18250	1.3
401.23315	16.9
402.23318	2.8
419.24377	8.4
420.24603	0.6
443.19101	2.7
447.22296	2.7
461.20267	8.5
462.20551	0.6
473.90814	0.6
475.26718	0.7
493.27954	1.1
609.33087	3.8
610.33154	0.9
611.30579	1.1
619.31403	3.3
620.31494	0.8
637.32275	28.8
638.32648	5.0
655.33307	28.6
656.33759	5.3
674.07562	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.6
57.03317	0.6
58.48880	0.5
59.01248	7.0
59.94061	0.4
69.03296	0.7
70.31840	2.1
71.01247	4.8
73.02802	1.7
80.02547	1.2
81.03336	1.4
83.01226	0.9
83.04888	3.2
84.02044	0.7
85.02835	1.2
87.00751	1.4
89.02329	2.8
93.03330	0.5
95.04911	1.3
97.02828	1.6
97.06454	0.7
98.31037	0.5
100.21836	0.5
101.02319	5.4
109.06463	7.0
113.02330	3.0
117.84212	0.5
119.03369	0.8
125.02309	0.7
125.09599	1.3
125.42748	0.5
135.08012	1.0
145.04900	1.0
149.09641	0.5
161.03275	0.7
161.04483	2.1
161.09601	0.7
163.11180	6.2
165.12750	1.0
171.10196	0.8
181.12262	1.6
183.13815	2.2
185.11739	3.8
189.09163	0.9
191.10741	1.4
193.12260	0.9
205.12268	0.9
207.10202	16.8
208.10533	0.8
209.11765	100.0
210.12123	5.6
211.13336	27.4
211.15405	0.8
212.13683	1.2
221.15428	1.1
225.11287	9.8
226.11523	0.8
227.12827	7.3
233.11725	0.6
235.08177	3.7
251.12872	0.9
253.09258	7.5
307.71732	0.5
339.23303	1.7
355.22714	0.7
357.24323	0.7
373.23816	2.9
383.22311	6.1
391.24942	3.1
396.25293	0.5
401.23264	12.1
402.23709	1.8
419.24286	3.6
443.19006	0.7
447.22369	1.0
455.17023	0.6
459.48221	0.6
461.20413	3.4
609.32800	2.0
611.30609	0.8
619.31262	1.9
637.32300	19.0
638.32611	3.9
655.33447	9.0
656.33832	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	655.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69086	2.9
52.78333	2.6
56.06273	3.2
59.01250	100.0
60.20411	3.0
61.98699	7.6
70.58583	2.9
71.01247	6.5
71.57088	6.5
78.95766	8.7
79.64885	3.0
97.06470	3.3
101.02344	3.4
125.02349	3.9
126.46762	3.4
140.59103	3.1
141.00626	4.7
141.01619	63.3
163.11206	4.0
179.16878	3.5
183.13739	4.7
185.11815	3.3
206.67238	3.7
207.10208	29.2
209.11754	11.6
211.13347	37.6
225.11302	22.0
235.08081	4.2
253.09071	3.7
275.06244	10.8
277.21808	4.1
383.22375	3.7
391.19727	8.9
401.23328	5.9
419.24130	4.3
461.20547	5.5
526.39355	3.7
535.27557	6.3
536.27045	3.3
555.81409	3.5
637.32605	12.7
655.33392	16.8
656.34406	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	654.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38786	3.9
59.01255	7.0
65.00174	4.8
69.65763	4.2
71.01216	5.1
71.57571	5.3
96.81605	3.7
96.95898	15.4
107.01242	7.7
109.02828	9.5
116.15955	5.0
118.02885	4.7
121.02834	5.1
123.00732	11.7
125.02331	32.6
127.00298	5.5
135.00822	4.4
137.02307	13.9
151.00282	25.7
161.02359	5.3
163.00261	11.4
164.03424	8.6
169.01321	47.5
178.99817	24.5
181.01285	8.0
190.01344	38.3
208.02437	15.4
211.02449	6.9
227.03424	7.4
229.04800	4.6
239.03351	5.3
243.02974	15.6
255.02939	17.0
267.03000	10.4
271.02322	71.1
271.04620	9.1
272.02954	12.2
283.02380	4.7
285.03815	5.3
294.04007	24.3
295.02435	19.5
299.01968	91.0
300.02679	82.0
300.99811	10.6
301.03467	48.2
310.03577	8.9
313.03317	7.8
322.03522	70.2
323.03964	8.8
324.05167	5.7
339.03842	50.0
340.04507	33.1
352.06693	13.1
446.02213	4.5
452.41479	4.8
463.08853	62.7
464.08911	9.1
489.06784	9.8
502.09903	58.4
503.09998	10.9
587.10309	11.2
614.09137	34.1
615.09094	4.4
636.09943	7.1
654.10870	100.0
654.21185	7.6
655.11407	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	653.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84782	0.3
55.01747	1.2
57.03312	1.4
58.00466	2.1
59.01250	39.7
60.01578	0.4
61.98682	1.0
66.70685	0.3
68.99701	0.7
69.03329	2.2
71.01254	39.2
72.01598	0.8
72.99171	3.5
73.02434	0.6
73.02820	6.6
75.00732	1.0
78.95755	0.6
81.03321	1.6
83.01259	3.9
85.02818	7.9
85.99989	0.4
87.00750	9.3
87.04375	0.4
89.02318	32.3
90.02622	0.3
91.03877	0.7
91.33366	0.3
93.03337	0.4
95.01272	2.3
95.04906	0.4
97.02249	0.5
97.02828	6.3
99.00748	2.2
101.02323	30.5
102.02646	0.7
103.03905	0.5
109.02845	0.5
111.00785	0.7
111.04397	1.1
112.01456	0.3
113.02329	15.0
113.98520	0.3
114.02634	0.5
115.03907	0.7
119.03393	11.3
121.02835	1.0
123.00755	0.7
123.04429	0.5
124.01532	0.4
125.02340	13.3
127.03900	0.8
131.03400	1.3
133.04929	1.1
137.02328	0.3
139.03902	1.0
141.01834	1.1
143.03394	5.9
149.04468	1.1
157.05035	0.6
161.04469	6.8
167.03372	1.0
169.04974	0.8
171.10173	0.5
172.48132	0.3
179.03773	0.4
179.05545	6.3
185.04494	0.4
199.06036	0.6
203.05618	0.4
207.10179	0.3
209.11667	0.6
217.07082	1.2
221.06638	2.5
235.08197	14.7
236.08569	0.3
245.06703	0.6
253.09274	4.4
255.23270	100.0
256.23624	9.4
263.07703	1.5
269.24896	1.0
272.58102	0.3
277.09286	0.9
287.07733	3.8
305.08707	3.1
323.09860	1.7
361.11487	1.1
379.12393	1.4
397.13492	71.6
398.13855	5.8
415.14554	29.3
416.14880	2.0
611.95117	0.4
653.39417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3908
Annotation	Cilistol i
Peak:m/z	Relative Intensity
59.01250	5.8
59.73561	0.7
61.98708	1.0
70.31801	2.8
70.32148	0.7
71.01250	3.3
73.02827	1.0
85.02827	1.8
85.09920	0.7
87.52771	0.8
89.02336	2.6
98.19796	0.9
113.02349	1.5
119.03423	1.0
119.11404	0.7
121.06491	1.0
135.08102	1.8
140.74873	0.8
149.05968	6.0
150.06776	90.0
151.07118	3.2
161.04460	0.8
161.09572	1.2
162.06749	1.8
163.07578	13.3
164.08342	21.4
176.08418	1.0
177.09216	1.0
177.82867	0.7
178.09967	1.4
179.10706	41.6
180.11006	2.1
182.14558	0.9
202.92522	0.8
207.10178	1.0
209.11778	1.2
217.28198	0.8
225.11261	1.4
296.53543	0.8
309.24631	0.9
311.22284	23.0
312.22647	2.8
473.32645	6.6
474.33075	1.4
476.31357	4.6
490.32999	7.4
491.33768	50.8
492.33914	6.2
505.35358	2.9
533.35028	2.6
653.39172	100.0
654.39417	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	653.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66819	0.6
59.01253	7.0
61.98728	0.9
69.03329	2.5
71.01245	4.8
71.04916	0.8
73.02809	1.1
75.00726	0.7
78.95799	0.8
83.01306	0.6
85.02815	1.6
87.00755	1.5
89.02307	2.6
95.04904	1.0
98.19795	1.2
101.02315	4.1
109.06487	1.8
113.02310	1.8
114.61754	0.7
119.03397	0.8
125.09563	0.8
141.95578	0.7
146.44267	0.8
161.04471	1.3
163.11221	1.3
167.10675	2.8
167.14171	0.8
171.10201	1.2
179.05528	1.2
179.10719	1.0
179.14337	2.5
183.13812	7.5
193.12274	2.2
195.13802	6.7
205.12280	8.1
207.10309	3.5
209.11774	8.3
211.13335	100.0
212.13637	5.4
217.12343	0.8
223.13342	81.0
224.13658	3.4
225.11156	1.6
235.08235	3.9
247.13280	0.8
253.09258	10.3
263.12750	0.9
265.14423	0.7
273.63049	0.6
345.07050	0.8
399.21179	1.2
417.22205	1.1
417.26868	1.0
441.20996	1.0
447.22324	3.8
459.22217	5.8
635.31396	2.2
636.79883	0.7
653.32092	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	653.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48307	0.6
53.02525	0.5
54.74676	0.6
57.03316	0.7
59.01252	7.1
61.98706	1.3
67.01766	1.8
69.03322	1.6
70.94651	0.7
71.01254	8.6
71.57539	0.7
72.99179	1.3
73.02835	1.3
75.00731	0.7
79.01770	1.5
81.03334	0.8
83.01263	1.9
83.04910	0.8
85.02827	3.1
86.38746	0.6
87.00758	1.6
88.98690	0.8
89.02298	3.4
95.01250	3.4
96.95897	2.6
97.02814	1.9
99.00730	0.8
101.02310	4.2
107.01274	11.5
109.02863	0.8
109.06465	0.8
111.00780	3.4
113.02325	2.5
119.03401	1.2
121.02792	0.7
123.00778	17.5
123.04478	0.9
124.01552	2.6
124.74574	0.7
125.02336	58.7
126.02679	1.6
127.00252	1.4
136.98714	2.8
137.02325	0.9
139.00264	6.7
140.01096	6.6
141.01826	2.8
141.09134	0.8
147.69147	0.8
149.06065	0.7
151.00281	11.7
151.03902	0.8
153.01775	1.3
155.07164	0.9
165.01836	0.7
165.05318	0.7
166.99759	1.9
168.00574	10.2
169.01344	64.8
170.01656	2.5
175.03902	0.9
179.03476	1.0
191.03564	0.8
193.05067	0.8
204.54706	0.7
207.10170	1.6
209.11703	3.9
211.02425	4.2
223.02408	0.7
225.11047	0.7
237.03978	0.9
237.14957	0.7
241.03575	0.8
271.04660	2.8
279.74948	0.8
295.04584	1.9
297.06195	0.9
300.99960	0.9
313.05661	3.1
316.53922	0.7
343.06729	1.1
373.42194	0.7
417.22806	0.9
445.09735	5.3
483.18524	4.9
501.19766	10.8
501.79221	0.6
502.20190	2.0
534.23639	0.9
635.31140	1.8
653.20959	100.0
653.31714	13.2
654.20941	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	653.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10367	1.1
55.01751	1.5
55.46166	1.1
57.03316	2.0
59.01248	25.1
61.98684	2.5
69.03312	1.7
69.82900	2.9
69.83326	5.9
71.01255	14.9
73.02821	4.9
73.72159	1.1
80.02540	2.3
81.03321	4.9
83.01251	2.7
83.04886	7.5
84.02125	1.2
85.02821	6.2
87.00761	2.3
88.47091	1.3
89.02306	7.8
93.03307	3.4
95.01241	2.3
95.04907	3.6
96.95886	1.4
97.02818	4.9
97.06470	3.3
98.19858	2.1
99.00750	1.6
101.02316	11.8
107.04910	1.9
109.06470	21.6
111.00744	1.6
113.02307	7.0
113.09715	1.1
114.61510	1.2
119.03384	1.6
121.02813	1.3
121.06487	4.9
121.45242	1.2
123.04452	1.4
123.08015	5.5
125.02342	2.5
125.09631	11.9
135.04381	1.7
135.08012	3.4
142.02644	1.5
145.04973	2.1
149.09581	2.0
150.06740	2.0
161.04445	4.3
161.09624	4.8
163.11198	16.1
169.01311	2.4
171.10188	22.6
175.11189	2.6
179.05487	2.5
179.10712	1.9
179.33202	1.2
181.12251	3.0
185.11803	8.7
187.09596	3.7
189.09114	1.3
191.10751	1.7
191.14340	2.2
199.13231	1.1
203.14362	1.7
205.12286	1.5
207.10208	54.9
208.10529	2.7
209.11772	100.0
210.12099	7.8
213.09189	2.1
217.12267	10.9
221.11774	3.8
223.09605	1.7
225.11270	26.2
226.11732	1.5
227.12752	1.8
229.12277	2.2
231.10287	2.9
235.08203	6.7
235.13403	6.4
237.14789	2.0
245.11807	9.0
247.13365	8.3
249.11258	5.2
253.09242	10.3
263.12872	14.6
265.14438	5.3
355.22772	2.2
371.22351	1.5
373.23950	2.6
381.20706	1.4
389.23160	2.0
399.21698	16.0
400.22174	1.8
405.17877	1.4
417.22809	23.0
418.23145	2.6
435.24042	6.3
439.94791	1.5
443.19135	4.9
461.20084	6.6
481.20676	1.9
491.33563	3.3
499.21722	4.5
575.40240	1.4
625.31451	2.4
635.20325	2.2
635.30670	36.8
636.31067	6.2
653.31671	91.7
654.32092	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	651.0842
Annotation	Pelargoniin D
Peak:m/z	Relative Intensity
50.87752	0.8
69.03325	2.7
77.50951	1.1
81.03351	1.5
95.01272	1.9
97.02844	1.7
97.81205	0.8
98.19747	1.8
99.00794	1.3
103.60358	0.9
109.02832	1.3
110.61866	0.8
119.04961	1.3
123.00787	3.3
125.02342	72.6
126.02682	1.5
137.02342	3.2
147.04411	2.3
149.02383	2.7
149.05949	1.5
159.04411	4.2
161.05997	2.0
162.03136	1.3
163.00298	2.9
163.03938	2.8
165.01839	1.2
168.00558	2.1
169.01343	100.0
170.01701	4.4
175.03940	9.6
177.01849	5.5
177.05487	2.4
178.99763	1.0
187.03970	2.7
189.01872	1.8
190.02682	1.8
190.99812	2.1
191.03485	2.6
193.01366	7.5
201.01942	1.0
203.03461	19.3
205.01385	2.4
205.04988	12.4
206.05334	1.3
209.00844	1.3
213.01991	1.3
218.99255	2.7
219.02979	1.9
221.04515	4.5
229.01332	2.4
230.60010	1.0
231.02943	16.7
232.03139	1.3
237.00366	3.2
247.02441	10.2
249.04074	4.0
257.01050	2.1
275.01996	24.4
276.02414	1.2
291.01642	1.1
293.03021	6.4
319.01065	7.6
331.06757	3.0
337.01886	4.3
337.05728	2.1
381.04596	5.5
393.08496	1.7
409.07626	3.3
419.06036	2.4
437.07318	4.2
453.06720	5.0
462.56668	1.2
463.05380	4.5
464.05731	1.1
481.06244	16.5
482.06589	2.2
633.07489	1.4
651.08612	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32656	4.2
53.14640	4.2
69.63755	28.1
69.64175	5.5
71.22288	4.6
78.89228	4.6
95.01266	11.3
97.02856	4.8
98.20559	4.5
108.72479	4.2
111.00781	11.2
111.98641	4.2
117.03336	8.2
121.63910	3.9
123.00799	20.8
125.02350	70.7
139.00259	9.0
145.02829	12.2
147.00865	4.2
147.04428	6.4
157.02850	4.3
161.02367	16.5
163.00302	4.6
163.03928	5.6
166.99768	25.7
168.00557	10.8
169.01344	87.1
173.02344	8.0
182.99219	4.5
185.02327	7.1
189.01863	21.8
191.03386	11.1
201.01874	14.3
203.03513	6.7
214.99753	8.0
216.00246	5.3
217.01361	21.8
229.01300	9.8
242.99263	5.2
245.00938	31.5
247.02461	14.9
257.00836	5.2
261.00406	9.6
270.98813	22.5
273.00388	45.7
274.00897	6.5
275.02020	11.3
283.99612	6.6
291.01236	5.3
298.98380	27.7
299.98978	16.0
300.99918	91.8
301.85889	4.7
302.00345	13.5
316.99396	100.0
317.99442	7.8
405.04657	10.2
433.03949	13.9
443.02347	7.1
445.04004	23.3
461.03555	31.1
463.05093	22.7
481.06079	12.5
613.04767	9.9
651.20972	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	649.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	0.6
71.01276	0.9
71.10841	1.5
73.16398	0.5
81.98397	0.5
88.23860	0.6
95.01276	1.1
111.00761	1.4
117.03330	0.6
119.13913	0.5
123.00771	1.7
125.02362	2.6
127.52179	0.5
133.02856	1.0
137.02272	0.6
139.00270	1.2
145.02884	2.2
147.04407	1.0
149.02399	0.9
157.98485	0.6
159.04355	0.7
161.02376	3.1
163.00293	1.1
163.03935	1.3
165.01746	0.9
166.99797	2.2
169.01347	2.7
169.02644	0.6
173.02333	2.0
175.04007	1.1
177.01840	1.7
185.00887	0.7
185.02412	1.7
187.00194	1.2
189.01855	5.5
190.02489	0.7
191.03427	1.9
201.01862	2.5
203.03372	1.0
205.01372	1.6
209.00879	1.0
214.99892	1.3
216.00667	0.7
217.01331	3.9
229.01352	3.8
231.02922	1.1
233.00868	1.6
242.99387	1.7
244.00111	0.6
245.00920	4.3
247.02592	2.6
249.03822	0.7
257.00940	2.1
258.01523	0.9
261.00400	1.9
270.98856	2.6
273.00415	4.0
274.01056	0.8
275.02011	5.1
276.02365	0.7
283.99701	1.7
288.99918	1.6
290.00345	0.8
291.01505	1.7
298.98389	1.9
299.99057	2.4
300.99899	57.9
302.00189	5.0
315.98593	2.4
316.99380	100.0
317.99738	7.8
331.06680	1.5
341.51938	0.6
453.06900	0.8
463.05197	7.3
464.05447	1.5
481.06262	8.7
482.06522	0.8
496.58881	0.7
532.78693	0.7
594.07855	0.7
613.04517	1.9
631.07288	0.9
649.07080	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	649.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56216	2.3
69.56617	10.8
79.66978	1.7
79.73710	1.5
93.90917	1.7
96.43887	1.6
98.20531	2.7
101.15237	1.7
102.06687	1.9
102.22438	1.8
109.02847	1.9
117.03341	2.7
123.00764	4.2
125.02343	9.3
139.00296	3.3
145.02747	2.1
147.04453	2.1
161.02374	3.4
163.00302	3.2
169.01326	9.4
171.00725	2.5
173.02357	3.4
177.01915	4.4
189.01848	5.6
201.01869	3.4
202.66718	1.6
203.03413	2.5
205.01247	2.5
217.01363	5.1
229.01390	5.8
242.99377	2.4
245.00835	5.9
247.02461	7.0
257.00903	3.9
270.99026	3.0
273.00381	4.6
275.02057	7.2
284.20743	1.8
298.98306	2.6
299.98883	4.4
300.99902	64.0
302.00305	5.4
315.98569	2.8
316.99368	100.0
317.99719	8.0
331.06625	2.5
352.23349	2.1
463.04968	7.1
481.06354	10.6
482.06293	2.3
580.31366	2.0
613.04645	3.3
649.06622	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	647.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47375	0.4
56.49470	0.3
57.03339	1.2
58.00473	0.7
59.01252	6.0
61.98697	1.7
68.99698	0.4
69.03364	0.4
71.01257	5.1
72.99204	0.9
73.02851	1.6
75.00759	0.4
78.95808	0.6
80.02546	0.7
81.03371	1.1
83.01283	0.8
83.04895	4.1
84.02082	0.8
85.02822	1.7
87.00777	1.0
88.98684	0.6
89.02322	4.5
95.01287	0.9
95.04939	0.8
96.95904	2.1
96.96828	0.6
97.02841	0.4
97.06516	0.5
99.00760	0.4
101.02333	4.4
105.40859	0.3
106.28662	0.3
107.01275	0.9
108.02026	0.4
109.06513	0.5
110.90714	0.4
111.08015	0.4
113.02354	3.1
113.21249	0.4
119.03436	1.3
121.02840	0.4
122.27164	0.4
123.00741	1.7
123.08060	0.4
125.02343	4.5
125.06065	0.6
125.09616	3.4
127.11168	4.7
131.03459	0.5
135.08087	0.6
137.02400	0.4
137.09656	1.0
139.00287	0.5
139.11174	0.8
140.01083	0.4
141.01886	0.5
143.03436	0.6
145.04999	0.5
150.03171	0.4
151.00261	1.0
153.09064	0.8
155.10718	1.5
157.12253	0.5
161.02400	0.3
161.04497	1.4
163.00400	0.4
163.11215	3.5
165.09105	2.3
165.12762	1.9
168.00589	1.0
169.01346	5.7
170.01691	0.6
171.10146	2.9
176.03432	0.4
179.05544	0.7
179.23570	0.4
183.10236	0.9
191.10712	1.1
199.09689	2.1
201.11264	100.0
202.11603	4.7
202.35301	0.4
209.11775	91.1
210.12091	4.6
211.02509	1.8
227.10736	0.7
227.12842	11.1
228.13171	0.5
229.01228	0.5
235.06058	0.5
235.08162	3.7
239.12825	1.0
253.09259	17.4
254.09639	1.0
255.02959	0.6
271.02194	0.7
271.04770	0.6
299.99060	3.5
300.02634	1.0
300.99759	2.2
301.03192	0.6
302.00046	0.5
365.23148	0.6
373.25235	0.5
375.21753	2.1
376.11639	0.4
393.22705	1.5
405.17706	0.7
411.23788	0.7
419.19092	0.5
433.09875	0.4
437.20096	1.0
445.20651	0.8
463.08646	0.4
556.09637	0.4
611.29968	0.4
647.17786	0.9
647.27509	2.7
647.35309	1.0
648.26996	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34166	1.0
57.20428	1.1
59.01233	4.1
69.22814	12.0
71.01242	4.6
77.28027	1.0
78.87104	1.2
85.02805	1.3
87.00719	1.5
89.02303	1.6
95.01254	2.9
96.95890	1.9
107.01268	3.9
111.00724	1.9
123.00772	3.8
125.02344	23.1
128.36612	1.0
139.00229	1.3
151.00252	3.6
154.99825	1.2
155.39610	1.2
157.12991	1.5
166.99698	2.0
168.00531	4.4
169.01337	37.1
197.02359	1.5
198.03084	1.6
201.01945	1.7
211.02406	7.4
214.02603	2.8
226.02585	1.7
227.03415	3.2
229.01360	1.3
231.02907	1.3
245.00894	2.4
253.01459	2.3
253.05049	1.8
255.02922	1.9
257.00885	1.8
269.01047	2.7
271.04675	10.6
281.04401	1.6
282.01688	1.8
283.02493	2.9
285.04129	5.0
297.00372	2.3
299.99023	2.7
300.02625	2.5
300.99844	8.0
301.03485	4.8
308.03455	1.7
309.04135	1.8
309.07547	1.6
323.99115	3.2
324.99896	2.0
325.07089	1.2
331.06720	2.1
337.06985	3.6
351.08646	2.6
357.02307	1.5
381.06210	2.7
395.07669	13.9
397.09528	1.8
409.05505	2.9
411.07248	2.8
413.08813	12.8
414.09082	1.4
423.07053	3.5
427.06287	2.0
429.08276	3.2
439.06604	2.6
451.06448	3.8
455.09979	8.6
466.03397	1.4
467.05557	1.5
471.09348	1.2
477.14020	12.1
483.08850	1.5
495.14890	2.9
527.08484	2.9
557.09552	2.5
571.11041	1.9
587.10559	13.4
588.10760	1.5
613.64056	1.4
615.10144	6.4
647.12488	100.0
648.12958	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	647.089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43547	2.5
59.05379	2.5
62.78927	2.3
63.02262	3.9
65.00199	6.6
69.69714	2.4
71.01245	3.0
83.01292	4.7
87.00764	2.7
95.01285	7.4
98.19751	6.3
107.01250	15.2
109.02845	7.6
109.99961	3.3
111.00764	14.2
120.43074	2.4
123.00771	8.7
124.98747	3.2
125.02340	29.5
136.98721	2.7
139.00273	15.2
139.61671	2.9
140.01080	2.8
141.01842	3.2
149.99463	2.7
151.00250	27.2
159.04398	3.7
161.02371	6.0
163.00177	3.1
164.98260	5.3
165.98917	5.0
166.99753	12.5
168.00563	6.5
169.01334	45.1
170.01717	6.3
177.01831	3.9
177.99049	3.4
178.99763	28.8
182.99242	3.9
185.00674	2.8
187.03923	6.7
193.01193	2.7
199.03917	3.4
201.01865	5.1
203.03409	9.3
205.01219	2.9
211.02397	8.0
215.03413	9.7
217.01341	6.1
222.98911	3.4
225.01984	3.3
227.03558	2.6
229.01506	5.0
230.41048	2.6
231.02950	5.3
231.88708	2.5
232.03766	3.4
243.03003	14.3
245.00934	4.3
247.02390	4.3
255.02989	6.2
257.00867	6.4
258.01645	4.7
259.02460	9.0
269.00864	3.4
271.02356	41.4
271.04681	7.2
272.02823	4.3
287.01978	45.9
288.02576	4.8
297.00565	7.3
299.01971	26.5
300.02820	26.5
300.99857	14.9
301.03497	23.2
313.05762	8.3
314.00616	7.4
315.01492	100.0
315.05222	4.7
316.02090	20.5
317.03070	12.5
332.01730	9.8
333.02127	2.9
355.06726	3.5
385.95932	3.3
395.78101	2.9
399.84854	2.8
463.08801	10.2
467.02585	10.6
477.06537	13.7
479.08362	26.3
480.08621	4.6
495.07800	12.5
603.09906	4.1
629.07654	22.0
630.08209	4.7
647.08539	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	647.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	2.2
62.26986	1.4
63.02272	6.3
65.00195	8.9
67.01760	1.4
68.99689	1.3
71.01258	3.0
71.57484	2.4
83.01265	7.7
87.00734	1.7
93.03361	1.6
95.01286	2.8
97.02882	1.4
99.00752	1.7
101.02347	1.5
107.01270	12.6
109.02847	15.5
109.99960	1.4
111.00762	11.8
113.02321	1.9
115.05453	1.4
121.02805	2.4
123.00767	10.0
124.01574	2.0
125.02351	24.3
127.00231	1.6
128.11292	1.5
133.02867	2.7
135.00665	1.2
136.32639	1.4
136.98764	1.5
137.02357	6.3
139.00294	17.7
139.03920	2.4
141.01859	2.0
143.04968	2.3
145.02852	2.4
147.04416	2.3
149.02338	5.5
149.99442	1.6
151.00273	48.5
151.03931	1.9
152.00970	2.7
153.01839	19.3
154.99802	6.8
159.04454	2.9
161.02397	2.4
163.00298	7.5
164.01033	1.5
164.98236	3.3
165.01814	3.7
165.99019	1.9
166.99730	11.5
168.00519	3.6
169.01353	28.7
170.01723	1.5
171.04417	3.3
175.00275	1.6
175.03944	3.6
177.01918	3.6
177.98946	2.6
178.99785	68.3
180.00198	4.5
180.97627	1.2
181.01321	5.8
181.04962	2.7
182.99335	1.6
187.03918	3.2
187.42888	1.3
189.01958	2.5
190.99855	2.1
191.03394	2.0
192.00575	1.6
193.01347	10.4
194.99268	7.0
196.79318	1.4
197.00858	4.4
199.03928	5.6
201.01913	2.7
203.03464	3.3
204.97745	1.6
205.01340	1.9
206.99333	2.4
209.00812	3.9
211.02440	3.6
213.01764	2.1
215.03401	7.8
217.01355	2.7
217.05009	1.8
219.02876	2.4
221.00964	1.4
222.98776	5.0
223.99376	1.3
227.03520	4.4
229.01393	2.2
231.02910	4.1
233.04588	4.2
235.02618	1.5
241.01407	2.2
243.02971	13.0
245.00928	2.0
245.04425	2.4
247.02617	2.2
255.02962	3.6
258.01443	1.8
259.02472	7.9
261.04037	7.5
271.02451	27.0
271.05093	2.2
272.03180	12.3
273.03885	1.4
287.01956	19.7
288.02524	2.3
289.03534	11.6
297.00485	4.3
299.01892	11.6
300.02762	8.8
300.99875	6.6
301.03534	16.6
302.03857	1.7
313.05609	1.7
315.01453	71.6
316.02023	11.2
317.02966	19.0
318.03583	2.4
331.06601	7.9
332.01715	3.9
333.02518	100.0
334.02881	5.1
355.06741	3.2
423.03906	1.6
423.10086	1.3
463.08798	5.1
465.06665	4.3
467.02463	2.2
468.26736	1.4
479.08331	17.2
480.08447	2.7
495.08029	4.8
511.07449	2.1
603.16595	2.7
613.08459	1.9
629.07617	3.8
647.09314	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	647.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00167	3.2
59.01261	3.4
60.14715	2.2
63.23642	2.2
65.00194	5.9
83.01251	4.3
85.26308	2.6
95.01270	3.6
95.36639	2.6
98.19784	7.4
107.01279	17.3
109.02827	6.9
111.00771	13.6
121.02811	2.5
123.00758	9.3
124.01578	2.5
125.02341	32.3
127.00209	2.7
133.02840	3.7
135.00781	4.3
136.35649	2.5
136.98694	2.8
137.02365	5.0
139.00279	18.4
144.00615	2.4
149.02380	2.6
149.99525	3.5
151.00275	25.0
152.01099	3.3
153.01843	5.0
154.99802	4.5
160.05215	2.4
161.02446	3.9
163.00258	4.8
164.98225	5.2
165.99016	4.8
166.99786	14.7
168.00526	3.6
169.01384	33.5
173.02344	3.5
177.01852	5.2
178.99783	28.6
185.00824	2.6
185.79848	2.3
187.03960	6.7
189.01897	3.6
190.02757	3.3
191.03325	2.8
192.00581	3.8
199.03844	2.9
201.01845	4.2
203.03403	8.7
208.00204	3.9
211.02371	9.5
213.01817	5.1
214.02795	3.2
215.03423	7.6
216.03951	3.1
227.03456	2.7
229.64050	3.1
230.02208	4.0
231.02992	8.1
243.02888	12.0
255.02907	8.4
257.00943	5.6
258.01727	4.0
259.02481	8.9
261.00415	3.5
270.01733	3.5
271.02222	27.3
271.05161	13.2
272.02841	3.8
273.00299	2.9
275.01849	3.3
286.01202	3.7
287.02023	42.8
288.02478	5.1
297.00345	13.5
299.01971	19.2
300.02747	19.1
300.99844	14.4
301.03439	12.9
303.01312	2.6
313.05679	9.0
314.00607	7.4
315.01477	100.0
316.02103	25.0
317.02933	9.9
331.06802	3.9
332.01767	9.5
333.02344	7.6
355.06290	3.3
380.06735	2.3
421.07874	2.8
443.83844	2.4
446.02734	2.4
463.09161	10.9
467.02655	7.7
477.06720	10.9
479.08362	42.0
480.08942	5.2
495.07498	16.6
504.55911	2.9
507.07886	4.4
511.06976	4.2
517.53534	2.6
535.07507	4.5
567.65271	2.8
603.09521	3.9
629.07721	23.6
630.08624	5.2
646.30988	2.9
647.08759	34.7
648.09174	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	647.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	5.5
63.02263	3.6
65.00188	12.0
66.67701	3.1
67.01752	3.0
69.44374	4.3
70.19702	3.3
71.01244	7.5
71.72577	3.2
83.01238	7.1
95.01241	5.9
96.95923	8.4
98.19746	7.1
107.01292	17.6
109.02849	15.0
111.00739	16.9
120.96645	3.4
123.00759	14.1
124.17812	3.9
125.02338	36.0
126.02651	3.3
134.03796	3.4
137.02322	4.9
139.00266	20.2
141.01752	3.9
145.02777	3.8
149.02330	7.1
151.00279	42.7
153.01863	15.4
154.99742	10.2
159.04416	3.9
161.02365	6.1
163.00284	6.4
166.99738	17.6
168.00592	5.9
169.01338	56.5
178.99791	64.8
181.05028	6.7
183.02576	4.0
185.02243	4.0
187.03976	5.6
193.01393	10.5
194.99318	6.6
197.00792	4.6
199.04068	8.4
201.01857	6.6
203.03448	4.0
205.04976	5.3
211.02402	4.4
215.03328	5.1
217.01469	4.6
219.03020	3.9
229.01340	4.7
229.44186	3.8
231.02914	3.7
243.03024	14.1
243.75626	3.3
245.00919	3.8
247.02567	5.8
259.02512	9.8
261.04044	9.4
271.02356	22.5
272.03070	8.1
287.01941	16.8
289.03552	12.3
297.00507	3.8
299.01953	9.3
299.99304	4.5
300.02615	9.5
300.99838	19.9
301.03503	16.7
313.05731	10.3
315.01501	64.5
316.01981	10.3
317.02744	17.1
331.06564	5.0
332.01697	4.1
333.02502	100.0
334.02829	6.4
337.61252	3.9
354.52097	4.4
358.44733	3.3
452.35977	3.5
479.08069	22.3
495.15125	4.3
536.67566	4.2
603.16608	8.3
629.07648	4.6
647.11304	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	647.0528
Annotation	Unknow
Peak:m/z	Relative Intensity
68.69341	3.2
69.52882	27.9
71.01289	8.5
83.92113	3.2
95.01280	5.6
98.19794	6.0
107.01266	11.1
111.00764	10.0
117.03352	12.7
119.04939	6.8
119.06720	3.1
121.02844	3.3
123.00787	16.0
125.02347	42.9
126.45255	3.6
133.02867	11.8
135.04401	5.2
136.68935	3.6
137.02330	6.2
139.00287	16.2
145.02847	22.4
147.04405	16.1
149.02403	5.8
151.00325	4.2
159.04440	3.7
161.02361	35.5
162.03162	6.0
163.00288	15.9
163.03931	38.6
165.01770	5.5
166.99773	9.5
169.01343	49.3
171.00784	4.8
171.04492	3.4
172.01465	4.1
173.02371	19.1
174.03091	7.4
175.03961	11.9
176.01103	9.0
177.01845	9.2
179.03339	4.8
182.99319	13.7
185.00793	4.9
185.02385	4.3
187.00391	7.5
188.01112	10.6
189.01883	38.5
190.02603	16.1
191.03447	44.2
199.03864	3.8
201.01888	14.5
203.03432	8.1
205.01376	7.0
209.00897	4.7
213.02036	4.9
214.02548	4.3
214.99774	5.0
215.03467	4.9
216.00612	15.6
217.01372	62.7
218.01945	11.4
219.02948	50.8
221.00859	3.8
227.03662	4.5
229.01335	9.1
229.04994	3.6
230.99336	10.9
231.02927	8.7
232.00076	9.2
233.00903	6.3
235.02448	7.3
242.02307	3.5
242.99252	7.8
243.03130	4.7
244.00145	10.4
245.00877	42.2
245.04648	4.0
257.00766	7.7
259.02567	3.4
259.99527	19.6
261.00427	20.1
263.01944	20.3
269.68973	3.3
270.98758	7.4
273.00546	8.9
274.01135	3.9
275.02014	11.3
286.98386	10.2
287.99097	24.2
288.99991	21.2
298.98386	8.4
299.98880	4.6
300.99863	45.6
302.00266	4.0
313.05487	3.9
314.97836	10.3
315.98520	5.4
316.99286	9.4
331.01486	4.7
389.05151	12.9
391.03003	6.2
405.04465	20.3
407.06244	21.8
433.04117	95.6
434.04617	7.4
451.05215	13.9
463.05139	7.2
531.08002	6.8
559.07159	42.6
560.07281	5.1
575.06769	44.3
576.07147	4.6
585.05280	12.9
603.06323	100.0
604.06366	11.2
647.05273	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	647.0528
Annotation	Unknow
Peak:m/z	Relative Intensity
68.69341	3.2
69.52882	27.9
71.01289	8.5
83.92113	3.2
95.01280	5.6
98.19794	6.0
107.01266	11.1
111.00764	10.0
117.03352	12.7
119.04939	6.8
119.06720	3.1
121.02844	3.3
123.00787	16.0
125.02347	42.9
126.45255	3.6
133.02867	11.8
135.04401	5.2
136.68935	3.6
137.02330	6.2
139.00287	16.2
145.02847	22.4
147.04405	16.1
149.02403	5.8
151.00325	4.2
159.04440	3.7
161.02361	35.5
162.03162	6.0
163.00288	15.9
163.03931	38.6
165.01770	5.5
166.99773	9.5
169.01343	49.3
171.00784	4.8
171.04492	3.4
172.01465	4.1
173.02371	19.1
174.03091	7.4
175.03961	11.9
176.01103	9.0
177.01845	9.2
179.03339	4.8
182.99319	13.7
185.00793	4.9
185.02385	4.3
187.00391	7.5
188.01112	10.6
189.01883	38.5
190.02603	16.1
191.03447	44.2
199.03864	3.8
201.01888	14.5
203.03432	8.1
205.01376	7.0
209.00897	4.7
213.02036	4.9
214.02548	4.3
214.99774	5.0
215.03467	4.9
216.00612	15.6
217.01372	62.7
218.01945	11.4
219.02948	50.8
221.00859	3.8
227.03662	4.5
229.01335	9.1
229.04994	3.6
230.99336	10.9
231.02927	8.7
232.00076	9.2
233.00903	6.3
235.02448	7.3
242.02307	3.5
242.99252	7.8
243.03130	4.7
244.00145	10.4
245.00877	42.2
245.04648	4.0
257.00766	7.7
259.02567	3.4
259.99527	19.6
261.00427	20.1
263.01944	20.3
269.68973	3.3
270.98758	7.4
273.00546	8.9
274.01135	3.9
275.02014	11.3
286.98386	10.2
287.99097	24.2
288.99991	21.2
298.98386	8.4
299.98880	4.6
300.99863	45.6
302.00266	4.0
313.05487	3.9
314.97836	10.3
315.98520	5.4
316.99286	9.4
331.01486	4.7
389.05151	12.9
391.03003	6.2
405.04465	20.3
407.06244	21.8
433.04117	95.6
434.04617	7.4
451.05215	13.9
463.05139	7.2
531.08002	6.8
559.07159	42.6
560.07281	5.1
575.06769	44.3
576.07147	4.6
585.05280	12.9
603.06323	100.0
604.06366	11.2
647.05273	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	647.0533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21901	5.3
65.56595	5.8
71.01256	12.3
71.35172	4.9
71.57149	7.5
72.37891	5.2
85.83568	5.1
95.01257	9.7
107.01269	20.1
107.04916	5.9
111.00767	16.9
117.03339	14.9
119.04900	8.0
123.00738	15.9
125.02343	58.0
130.20729	5.8
133.02859	11.9
137.02356	8.2
139.00291	13.6
145.02875	27.0
147.04399	7.4
149.02361	13.2
151.00185	5.4
160.01645	7.4
161.02335	40.6
162.03091	7.0
163.00252	23.0
163.03929	42.6
164.52304	5.3
165.01852	10.1
166.99794	14.6
169.01347	77.5
173.02303	30.7
174.03082	6.9
175.03914	12.5
176.01051	8.5
177.01849	11.3
182.99292	12.1
187.00339	12.1
187.03975	6.2
188.01024	12.1
189.01888	59.9
190.02600	20.8
191.03435	63.2
201.01891	27.3
204.00668	5.5
205.01317	8.9
207.02956	7.5
209.00858	9.4
210.98129	5.7
214.99953	8.0
216.00560	17.4
217.01372	78.0
218.01953	11.7
219.02966	83.7
223.46088	5.7
227.03477	5.6
229.01457	5.5
230.99242	5.3
231.02965	11.1
232.00058	13.5
233.00755	9.5
235.02396	15.3
242.99268	11.5
243.03102	9.6
244.00075	13.3
245.00856	61.4
247.02330	9.5
259.99683	31.7
261.00339	34.8
263.01917	25.2
268.92749	5.0
270.98849	9.9
271.02319	6.9
273.00427	10.2
275.02103	9.5
286.98267	10.6
287.99084	32.5
289.00024	29.2
289.02972	6.1
298.98337	9.0
300.58090	5.6
300.99921	39.1
302.00464	6.3
305.02670	5.9
313.05878	7.7
314.97824	8.0
316.99353	14.0
389.05215	14.1
391.02847	7.2
405.04617	15.0
407.06241	21.7
415.03134	6.4
433.04135	100.0
434.04422	10.1
451.04950	8.7
463.05573	10.6
559.07483	50.4
560.07782	7.6
575.06641	62.8
576.07147	8.7
585.05475	14.2
603.06281	97.3
604.06598	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	645.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39611	1.1
53.44028	1.2
58.00444	1.2
59.01259	14.3
65.00150	1.3
67.01737	1.5
69.03316	2.7
69.37103	8.1
69.37537	3.3
71.01255	12.7
72.99164	2.0
73.02815	1.5
75.00769	1.3
79.01741	1.6
80.96381	3.6
83.01237	3.1
85.02806	3.8
87.00755	2.2
89.02313	7.7
94.97953	1.3
95.01265	6.6
96.95882	3.2
101.02330	7.7
107.01271	7.4
109.02826	1.8
109.99989	1.5
111.00726	4.4
113.02293	4.8
119.03353	3.0
121.02847	1.7
123.00771	24.9
124.01569	1.6
125.01457	1.8
125.02342	34.2
126.02647	2.1
127.00310	1.3
133.02765	1.5
135.04367	3.0
136.98656	2.3
137.02301	2.0
139.00262	8.2
140.01071	5.5
141.01872	2.8
149.02446	1.4
151.00285	17.0
151.03995	1.5
153.01817	2.1
161.02322	3.3
163.03935	1.6
166.99696	1.5
168.00560	8.6
169.01346	45.6
170.01633	2.3
179.03358	2.7
181.04977	1.2
191.03374	1.6
201.05432	1.9
203.03307	2.5
211.02425	3.3
223.79147	1.1
253.59454	1.2
255.02988	1.9
263.05527	6.0
271.02039	2.1
271.04706	2.4
272.02820	1.4
273.00354	2.4
273.03082	1.5
275.02216	1.1
299.99271	1.5
300.02478	3.5
300.99777	6.6
301.03284	7.6
302.03366	5.9
303.03830	3.1
307.04523	2.4
313.05685	1.9
315.01282	1.2
331.06763	1.6
464.09491	1.8
465.09128	3.4
465.17502	18.3
466.17960	2.7
467.19086	2.4
483.18759	25.4
484.18878	3.9
540.40491	1.3
601.14990	1.5
627.12555	1.7
645.23883	100.0
646.14178	2.9
646.24377	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	645.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	9.5
69.62151	7.5
69.62579	9.5
71.01255	6.8
72.99171	2.8
77.65137	2.2
85.02827	3.1
89.02334	3.4
95.01255	4.1
98.19829	4.7
123.00742	4.2
125.02337	8.3
133.02850	2.4
145.02792	3.3
161.02419	2.6
169.01352	8.8
173.02356	2.6
177.01801	3.4
189.01830	3.8
190.99869	2.4
195.13255	2.4
201.01897	2.4
217.01360	5.6
223.03830	2.8
224.45934	2.3
233.00946	7.9
245.00926	7.7
249.05482	2.9
251.03610	2.3
256.00146	3.1
264.04413	3.0
265.05063	15.0
266.05496	3.9
267.03049	3.9
273.00357	15.6
277.04993	2.8
278.06024	2.7
279.06625	3.0
280.03738	4.2
293.04565	8.3
294.05377	9.1
295.02481	6.3
298.01126	5.2
298.98312	3.0
300.99863	9.6
305.04691	2.6
307.02585	2.7
307.06174	4.9
308.03183	7.8
309.00406	7.5
311.02005	4.6
321.04071	2.7
323.01898	27.8
324.02322	5.7
335.02039	5.7
337.03659	3.2
351.01370	3.5
352.02203	5.5
367.11752	7.7
502.46725	2.7
529.17200	19.5
542.47418	2.5
557.16345	24.8
572.14606	3.1
573.16437	6.1
583.14307	3.9
601.15662	100.0
602.15948	16.5
645.14551	46.3
646.14899	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	643.362
Annotation	Unknow
Peak:m/z	Relative Intensity
74.19700	1.5
78.95777	100.0
83.04915	1.8
84.55622	1.3
96.96846	9.3
97.72672	1.4
115.52044	1.4
127.96265	1.5
137.83673	1.3
152.99493	61.6
153.99750	1.6
163.11218	1.8
165.12842	2.7
171.10147	1.6
197.11795	3.0
209.11768	29.8
227.12881	6.0
229.28165	1.5
267.37497	1.6
279.23294	69.9
280.23700	7.6
363.12231	14.8
364.12543	1.6
415.22565	25.5
433.23694	13.9
444.76678	1.7
643.36066	36.1
644.36450	4.0
665.54449	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	645.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00840	2.9
59.01257	6.2
65.00180	2.8
67.01763	6.5
71.01247	5.7
75.00736	4.4
79.01760	5.8
81.79955	2.8
84.38770	2.7
87.29778	2.6
89.02308	3.6
93.03334	3.9
94.35975	2.4
95.01262	48.1
97.02834	5.3
101.02306	5.3
107.01260	9.9
109.02866	3.2
111.00788	5.0
113.02301	4.3
117.03338	12.2
119.04926	7.0
123.00769	100.0
125.02338	64.4
129.03322	2.8
129.89229	2.6
133.02841	10.3
135.04407	10.7
137.02339	3.1
139.00278	11.0
141.01802	5.2
145.02843	30.6
147.04387	11.9
149.02336	4.6
157.02838	9.9
159.00781	3.5
160.01466	3.4
161.02350	24.4
162.03024	2.5
163.00237	4.4
163.03944	19.2
165.01849	4.4
166.98428	4.7
166.99779	72.7
168.99937	5.7
169.01334	73.0
171.00771	5.7
173.02367	23.1
174.03130	5.3
175.03909	23.1
177.01828	12.3
179.03387	5.8
185.00790	3.1
185.02327	6.7
187.00342	5.3
188.00967	3.3
189.01874	24.5
190.02676	6.2
191.03450	54.5
192.03802	4.4
193.01323	3.1
199.00331	5.6
200.01085	3.3
201.01834	21.6
203.03409	14.4
205.01282	4.2
207.02878	5.7
209.00821	4.9
214.99821	7.7
216.00432	4.9
217.01366	42.9
219.02940	26.7
226.99710	3.9
229.01453	18.4
230.34641	4.7
231.03006	3.5
233.00847	3.0
235.02431	14.9
242.99304	14.5
243.99863	4.6
245.00870	37.6
247.02432	59.1
257.00833	5.6
259.99661	5.2
261.00357	30.7
262.00729	3.4
263.01956	44.4
270.98865	53.3
271.99414	10.4
272.02405	2.8
273.00403	55.4
274.00854	6.6
275.01996	4.0
277.03409	5.9
279.01398	3.6
283.99451	3.5
289.00095	13.2
291.01419	27.1
298.98367	65.0
299.01770	2.8
299.99121	36.0
300.99860	81.1
302.00296	5.8
307.00821	6.4
316.99097	7.2
322.02881	3.4
323.02881	3.3
335.00256	19.1
365.01276	4.1
371.04117	5.4
387.03522	3.2
443.02686	3.9
447.05441	3.5
457.03940	5.3
459.05374	5.5
475.05069	5.9
477.06680	11.3
557.05658	11.1
585.05176	21.3
595.03961	6.7
601.15405	4.0
613.04291	4.5
617.07721	22.0
627.06171	10.0
645.07214	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	643.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.3
57.03339	0.3
58.00482	0.4
59.01251	3.5
59.01478	0.3
61.98715	0.5
69.03352	0.7
71.01233	4.6
73.02841	1.1
73.09957	0.2
80.02578	1.1
80.45499	0.2
81.03328	1.4
83.01289	0.5
83.04899	4.9
83.05365	0.3
84.02074	0.5
85.02849	1.3
87.00774	0.9
89.02332	2.2
89.06816	0.3
93.06976	0.3
95.01256	0.5
95.04948	0.7
96.95907	0.8
99.00765	0.4
101.02323	3.5
109.06490	0.9
111.08073	0.9
113.02322	2.1
119.03426	0.6
125.02325	0.5
125.05961	0.9
125.09598	0.5
127.11206	0.3
135.08069	0.6
143.03394	0.3
145.04948	0.5
149.04347	0.3
153.12759	0.9
155.07045	8.7
161.04507	1.3
163.11197	3.4
165.12778	2.4
169.01360	0.5
169.12251	5.1
171.10223	1.1
175.56812	0.3
179.05519	0.7
179.10689	0.5
181.12296	0.6
191.10710	0.9
195.13828	0.2
197.11765	80.3
198.12108	3.9
199.13342	0.8
201.11302	1.7
202.67291	0.3
209.11768	100.0
210.12111	5.9
211.13356	0.8
223.13405	1.3
227.12836	14.6
228.13161	0.4
235.08163	2.6
235.13350	0.8
253.09270	9.3
254.09598	0.4
271.02383	0.4
301.03436	0.3
371.22311	0.6
389.23279	0.6
407.24219	0.6
433.20746	1.7
445.20615	1.1
463.21484	0.5
503.05560	0.3
505.33942	1.4
607.30658	1.0
625.32465	0.5
643.33203	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02022	0.2
59.01251	3.9
69.03351	0.7
71.01254	2.9
71.68459	0.3
73.02841	0.8
73.67899	0.3
77.33760	0.3
80.02570	1.2
80.34483	0.2
81.03369	1.2
83.01276	0.7
83.04892	3.5
84.02057	0.6
85.02843	0.8
87.00783	0.7
89.02335	1.9
95.04948	0.6
101.02320	3.2
113.02321	1.4
114.15119	0.3
119.03403	0.8
125.02325	0.3
125.06045	0.4
125.09595	0.4
135.08075	0.4
140.89471	0.3
141.09142	0.3
143.03395	0.4
145.05013	0.5
151.11215	0.4
153.09123	0.4
153.12743	1.3
161.04523	1.4
163.11205	3.2
165.12773	1.7
169.12268	6.6
170.12543	0.4
171.10233	1.3
179.05507	0.3
179.10712	0.7
181.12259	0.6
191.10641	0.6
197.11771	100.0
198.12096	5.7
199.13280	0.3
201.11189	0.3
209.11772	91.0
210.12109	5.4
211.13330	0.4
227.12834	13.1
228.13124	0.6
235.08223	3.2
235.13321	1.3
253.09280	9.7
371.22531	0.3
389.23306	0.8
408.22797	0.3
433.20724	2.8
434.21027	0.3
445.20660	0.9
604.36511	0.3
607.30884	0.9
625.32404	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	643.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18843	0.8
57.03316	0.9
57.08362	0.8
57.94559	0.9
58.87977	0.8
59.01248	7.1
61.98677	1.7
70.19501	0.8
70.60221	0.9
71.01257	7.1
81.03365	1.1
83.01213	1.0
83.04893	1.6
84.96451	0.9
85.02822	1.5
87.00759	1.0
89.02324	4.7
95.01286	1.0
95.04892	1.1
96.95882	1.9
97.06454	4.0
99.07998	0.9
101.02308	5.9
109.06458	1.0
113.02325	3.0
151.11191	15.0
152.11530	1.1
153.52678	1.0
169.12257	100.0
170.12584	4.2
179.05634	1.1
183.13858	5.2
184.14211	1.1
193.12245	1.5
195.10146	1.8
197.11784	4.1
209.11761	4.4
211.13347	53.8
212.13632	9.9
213.11275	15.3
213.13861	1.8
214.11681	1.1
227.12700	2.2
235.08165	2.7
253.09271	6.2
325.95706	0.9
431.19031	2.7
449.20300	12.9
464.12140	1.0
533.49078	1.1
546.80151	1.0
559.20880	1.1
643.33337	83.2
644.33899	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	643.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00187	0.7
58.00449	0.9
59.01249	10.6
65.00172	1.1
67.01767	2.2
68.99702	1.0
71.00960	0.6
71.01263	7.9
72.99171	1.6
73.40163	0.7
79.01762	1.6
80.96387	2.5
83.01247	2.2
85.02811	2.8
87.00741	2.2
89.02324	4.9
91.83180	0.8
95.01247	2.5
99.00795	1.1
101.02309	5.5
107.01267	9.2
111.00758	4.9
113.02309	2.7
119.03440	1.2
121.02805	0.9
123.00781	16.7
124.01546	3.1
125.02343	44.3
126.02677	1.2
127.00253	1.7
135.04442	1.3
136.98697	3.5
139.00278	6.1
139.03917	0.9
140.01068	7.4
141.01811	1.3
149.02322	0.9
151.00293	11.7
152.01173	0.7
153.01874	0.9
161.02359	1.9
166.99728	1.3
167.03412	2.0
168.00562	15.9
169.01344	59.1
170.01666	2.2
175.03975	0.8
177.01857	1.0
177.03935	0.8
178.99747	2.0
189.01947	0.8
189.47195	0.7
193.01390	1.1
205.01363	0.9
211.02429	55.1
212.02707	2.2
230.30212	0.9
241.03566	1.2
271.04602	67.6
272.04932	4.4
277.03415	1.5
297.05856	0.9
299.01807	1.1
299.99252	1.1
300.02460	1.6
300.99771	2.4
301.03540	3.3
313.05637	3.5
321.02356	1.4
329.02832	1.2
331.06760	8.8
347.00443	1.8
423.10587	1.2
463.16132	22.4
464.16473	2.8
481.17130	4.9
611.31555	0.8
643.22375	100.0
644.12860	1.1
644.22760	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	643.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	4.7
65.00199	6.4
66.44688	1.5
67.50657	1.8
71.01266	5.1
71.57575	2.1
75.00778	4.1
80.96411	2.1
83.01254	4.2
85.02838	1.7
87.00760	2.1
96.95899	10.8
101.02300	2.0
107.01272	11.0
109.02861	4.7
113.02309	1.8
115.95731	1.6
121.02846	7.6
123.00773	4.2
124.01518	3.1
125.02360	10.9
135.04399	3.5
137.02332	3.4
139.00220	2.4
149.02328	2.1
151.00288	40.2
152.00858	2.0
163.00322	6.5
169.01338	16.4
175.03912	2.4
178.99757	21.7
190.99756	2.3
192.00490	2.1
193.01193	2.0
203.03481	2.5
211.02295	2.7
215.03474	2.4
226.02686	2.5
227.03423	4.5
229.05113	1.8
243.03033	10.2
244.03409	1.8
245.04510	2.0
254.02171	2.1
255.02985	33.1
256.03412	2.7
257.04410	1.9
271.02487	65.9
272.03064	5.3
273.04028	3.6
280.30536	1.8
283.02454	6.5
285.03964	3.2
298.98386	3.3
299.01669	3.4
299.99545	2.6
300.02744	93.2
300.99854	6.8
301.03482	100.0
302.00528	2.2
302.03928	7.3
314.00885	2.7
314.04404	6.3
317.02698	2.6
346.03311	4.7
352.47125	1.8
433.62744	1.7
437.08850	14.6
463.08710	13.4
463.15237	3.1
554.16846	2.1
613.11957	32.4
614.12366	4.2
625.11993	42.6
626.12201	7.6
643.13190	29.4
643.23785	7.0
644.13177	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	643.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.6
59.01239	2.6
62.28143	0.6
63.02265	1.3
65.00194	2.0
69.03306	0.9
69.32308	4.2
69.32723	1.6
71.01276	3.9
73.02814	0.7
79.95624	0.6
80.96396	2.1
81.03352	0.6
83.01254	2.7
85.02818	0.7
87.00769	1.1
88.98677	0.6
89.02317	1.9
93.03329	1.4
95.01273	1.4
96.95879	4.8
97.02821	0.9
101.02338	1.6
107.01273	6.0
107.04919	0.6
108.02052	1.6
109.02849	5.1
111.00768	1.3
121.02828	5.2
123.00751	2.8
125.02354	6.7
133.02869	3.8
134.03650	0.6
135.00766	0.8
135.04408	3.3
137.02328	2.5
138.42456	0.7
139.00279	1.2
145.02876	1.5
147.04420	0.8
148.01579	1.8
149.02370	0.9
150.02997	0.7
150.46265	0.6
151.00281	20.1
151.01508	1.0
151.03941	1.0
151.07509	0.7
152.00607	0.7
161.02348	10.9
163.00270	2.8
163.03891	1.0
164.01096	0.9
164.98543	0.7
165.01746	1.0
165.05510	1.0
166.99699	1.0
168.00551	1.2
169.01352	10.0
173.02319	0.8
174.03238	0.6
175.03809	0.9
177.01808	1.1
177.05489	1.2
178.99780	9.8
179.03392	2.2
187.04004	0.7
189.01816	1.7
190.99698	1.2
191.03218	0.6
191.05467	0.6
192.00575	1.0
193.01302	0.7
197.07765	0.6
199.03891	1.1
201.01857	0.7
203.03462	1.3
204.00584	0.8
205.01372	0.8
209.06209	0.6
211.02290	0.8
211.04030	1.1
214.99765	0.6
215.03641	1.0
217.01384	0.9
221.04559	1.2
225.00548	0.6
226.02693	1.9
227.03458	2.6
229.04906	1.2
231.02864	0.6
233.00774	1.4
234.01727	0.7
243.02950	8.6
244.03271	0.8
245.00929	1.2
245.04555	1.9
247.02284	0.9
251.05423	0.8
254.02139	1.7
255.02969	24.9
256.03372	2.0
271.02460	43.3
272.02914	3.9
273.03967	2.4
275.02121	0.9
276.02866	0.6
277.03458	2.9
281.06570	0.9
283.02448	1.9
299.02002	1.2
300.02740	100.0
301.00064	3.5
301.03485	77.9
302.00552	1.1
302.03830	5.8
303.01343	0.8
321.02551	4.3
323.07791	2.1
341.08661	0.9
347.00565	3.3
365.01453	2.0
429.56955	0.6
463.08829	75.1
464.09103	8.8
481.07785	1.3
505.09979	1.9
553.19025	1.3
625.11975	43.1
626.11945	5.5
643.13007	4.4
643.25525	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	643.0577
Annotation	Unknow
Peak:m/z	Relative Intensity
65.48431	1.2
71.01262	1.9
71.57452	1.4
75.00763	1.6
83.02228	1.2
89.03856	1.7
101.02297	1.7
102.01859	1.7
111.00770	2.0
117.03351	6.7
121.02838	2.6
123.00777	4.0
123.04427	1.4
124.45584	1.5
125.02319	6.6
133.02855	7.9
139.00259	1.7
142.12854	1.6
145.02846	20.6
147.00742	2.1
148.01598	9.6
149.02403	7.2
151.00333	2.2
160.01532	2.9
161.02364	29.6
162.03078	6.0
163.00288	2.2
163.02760	1.7
163.03940	12.2
164.01103	1.7
165.01727	1.7
166.02678	1.4
166.99844	2.2
169.01372	6.4
173.02361	9.5
174.03157	8.4
175.03958	1.5
176.01071	5.3
177.01862	10.9
177.05479	1.8
187.00226	3.3
187.03853	1.5
189.01857	22.1
190.02638	9.1
190.99759	1.9
191.03412	3.1
192.00603	2.9
193.01527	1.9
201.01921	5.8
202.99709	2.3
203.03328	2.3
204.00569	14.4
204.99409	3.0
205.01357	53.9
206.02121	10.3
206.99297	2.7
214.99759	3.0
216.00539	7.9
217.01369	28.9
218.02057	7.3
221.00734	1.5
221.04532	2.9
229.01411	1.9
230.99333	3.0
231.02805	1.6
232.00035	9.9
233.00865	39.6
233.04463	2.8
234.01550	6.1
235.02200	1.7
242.99295	1.8
244.00113	2.2
245.00897	23.8
245.03378	1.4
249.04005	7.0
258.98856	3.0
259.99670	2.6
261.00397	8.0
263.01877	3.3
275.02020	2.2
276.02481	1.6
277.03522	74.6
278.03931	3.9
288.99850	2.8
291.01523	2.9
293.03073	2.8
295.04568	4.2
300.99841	2.5
303.01480	5.0
318.26376	1.5
319.00946	4.7
320.01660	1.5
321.02505	100.0
322.02856	5.9
347.00424	83.7
348.00858	5.1
365.01468	60.5
366.01727	5.1
545.73578	1.4
547.89661	1.6
584.54010	1.6
643.05511	7.7
644.06335	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	641.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22742	0.2
57.03322	0.2
59.01254	1.9
67.97821	0.2
69.03307	0.3
71.01248	1.3
71.48614	0.4
87.00733	0.4
89.02307	0.9
95.60545	0.2
101.02330	1.3
113.02348	0.9
119.03374	0.2
155.10597	0.2
156.25890	0.2
161.04440	0.7
167.10619	0.3
167.14339	0.7
183.13835	5.6
193.12265	1.4
211.13336	100.0
212.13670	6.0
235.08171	1.4
253.09290	4.2
254.09650	0.3
316.02209	0.2
387.25284	0.4
405.26392	0.3
429.21030	0.4
447.22375	3.6
564.45905	0.2
623.34143	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60292	1.2
52.44240	0.9
55.01753	1.5
57.03336	2.6
59.01251	100.0
60.01577	1.4
61.98697	5.8
66.75038	1.1
69.46840	5.0
69.47269	4.9
71.01258	16.8
72.99177	2.6
73.02825	4.3
78.95782	2.4
83.01256	2.0
83.04879	1.1
85.02836	5.6
85.99962	1.0
87.00770	2.4
88.98720	1.5
89.02309	6.5
93.03326	1.4
95.01287	1.6
95.04888	1.1
96.95897	2.2
97.06491	1.2
99.00774	2.5
99.04414	1.8
100.86083	1.1
101.02321	12.4
103.85696	1.0
107.01283	1.7
109.06496	1.6
111.00758	1.2
113.02354	7.8
116.92729	1.3
119.03359	1.7
123.00750	1.5
123.04426	1.3
125.02356	4.8
127.11151	1.2
131.03430	1.1
136.05209	2.6
137.02362	2.1
152.07115	2.0
155.21938	1.2
161.04456	4.0
165.09123	2.2
165.12791	1.6
169.01332	8.0
170.01788	1.1
171.10133	1.9
175.02437	1.1
179.03540	1.2
179.05618	1.4
195.10240	1.8
197.11780	5.7
207.10191	1.9
207.13861	2.2
209.11783	10.5
209.15390	2.8
211.13321	3.3
219.61839	1.0
225.11287	3.2
225.14990	7.7
227.12851	26.9
228.13313	1.1
253.09435	1.4
259.68341	1.2
269.13983	2.2
271.04831	1.2
287.11139	1.5
287.15302	1.5
301.00098	1.4
309.21460	1.2
313.19443	1.3
358.80231	1.2
371.20871	3.5
413.21848	1.9
479.33914	4.9
623.34167	8.4
624.35602	1.7
641.35541	92.0
642.35803	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84997	0.2
59.01254	1.4
69.03291	0.3
71.01253	1.4
73.02824	0.3
83.04874	0.2
85.02838	0.6
87.00777	0.3
89.02335	1.1
97.02876	0.2
101.02323	1.6
101.43502	0.2
113.02306	0.7
119.03406	0.3
132.13330	0.2
138.37601	0.2
155.10680	0.3
161.04472	0.5
167.10612	0.4
167.14348	0.5
167.81218	0.2
179.05539	0.3
183.12160	0.3
183.13823	6.2
184.14093	0.2
193.12285	1.9
211.13339	100.0
212.13683	5.7
229.42554	0.2
235.08162	1.5
253.09235	3.8
387.25458	0.5
405.26660	0.3
429.21036	0.5
447.22351	3.3
448.22754	0.4
462.99969	0.2
623.34216	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48804	0.2
55.01764	0.2
59.01253	1.8
63.74256	0.2
69.03334	0.5
71.01247	1.5
73.02792	0.3
75.21135	0.2
83.01227	0.3
83.04893	0.2
85.02816	0.3
87.00749	0.3
89.02328	0.9
95.01222	0.2
98.99104	0.2
101.02316	1.2
107.09767	0.2
113.02316	0.9
119.03374	0.2
125.02320	0.4
132.30319	0.2
133.81174	0.2
136.75378	0.2
145.04947	0.2
161.04446	0.5
163.68634	0.2
165.12714	0.4
167.10683	0.3
167.14291	0.5
183.13829	6.1
184.14212	0.3
193.12288	2.0
211.13338	100.0
212.13678	6.4
229.46434	0.2
235.08182	1.8
253.09264	4.3
254.09674	0.2
280.44312	0.2
320.34741	0.2
387.25375	0.7
405.26538	0.3
429.21481	0.3
447.22409	3.1
448.22726	0.6
582.69043	0.2
623.34058	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88807	1.0
59.01257	1.5
61.98699	1.6
71.01288	1.3
71.57593	2.0
72.78522	1.1
78.95779	100.0
83.04893	1.4
90.08199	1.2
95.56517	1.2
96.96833	8.1
120.61758	1.1
130.60719	1.1
140.24544	1.2
152.99493	68.4
209.11781	32.2
210.12013	2.0
211.13367	3.0
227.12817	8.9
277.21735	62.2
278.22095	6.7
351.85327	1.2
363.12170	19.1
381.13239	3.6
413.20898	25.9
414.21207	3.3
431.22070	14.3
432.22391	2.8
545.76117	1.3
641.34497	27.2
642.35010	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	641.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55837	0.1
59.01247	1.7
69.03320	0.3
71.01253	1.5
72.76563	0.1
73.02814	0.3
83.01223	0.2
83.04910	0.3
85.02826	0.4
87.00765	0.4
89.02322	1.1
95.01296	0.2
97.02804	0.2
98.19772	0.3
101.02317	1.5
104.25166	0.1
113.02299	0.9
119.03382	0.4
126.24251	0.1
137.09628	0.2
145.04953	0.3
151.11227	0.2
155.10692	0.2
161.04485	0.6
165.12712	0.3
167.10663	0.2
167.14323	0.6
169.12285	0.3
181.12318	0.1
183.13826	6.8
184.14146	0.3
193.12250	1.9
209.11777	0.7
211.13335	100.0
212.13678	5.5
235.08163	1.5
253.09270	4.4
253.11893	0.3
254.09708	0.3
369.24158	0.2
387.25262	0.5
405.26315	0.6
429.21222	0.6
447.22379	3.9
448.22772	0.4
623.34375	0.5
641.31366	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	2.2
62.75606	1.4
64.71560	1.2
71.57503	1.9
78.95778	100.0
79.12225	1.1
80.02555	2.0
81.03307	1.5
83.04904	5.2
96.96844	8.1
111.07890	1.5
152.99493	63.5
153.99805	1.3
163.11197	4.4
165.12785	1.8
209.11769	70.4
210.12086	5.0
211.13362	7.7
227.12859	11.8
274.95557	1.4
277.21722	33.5
278.22083	4.1
363.12155	50.9
364.12415	3.9
381.13113	10.6
413.20981	10.3
431.21899	4.9
597.24927	1.5
641.34509	25.3
642.34650	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.0
59.01250	33.0
61.98714	3.5
64.20391	1.0
69.03327	1.5
71.01252	13.7
71.57037	1.2
73.02818	3.9
79.95611	1.5
80.96387	1.1
81.03337	2.2
83.01270	1.4
83.04888	4.6
85.02814	5.3
86.54456	0.9
87.00755	2.9
89.02311	7.1
92.00316	1.0
93.03341	2.1
95.01254	1.3
95.04888	2.0
96.95914	1.5
97.02839	7.4
97.06467	2.0
99.00748	2.0
101.02323	10.6
107.04869	1.0
109.06477	31.1
110.06808	1.6
113.02351	5.9
116.24543	1.0
119.03388	2.4
121.06506	2.8
123.04382	1.1
123.08016	1.0
125.02319	2.4
125.09622	1.3
135.04478	1.2
135.08047	5.1
136.05142	1.1
142.02586	2.5
145.04930	1.6
149.80490	1.0
150.06749	2.9
153.12866	1.1
155.07039	1.6
161.04482	4.9
161.09615	2.2
163.11195	19.0
169.01353	2.0
169.12206	6.7
171.10176	2.3
179.05551	2.0
179.10677	2.5
181.12193	4.8
183.13815	5.6
185.11792	2.7
189.09219	2.2
193.12309	1.4
197.11761	84.5
198.12067	4.5
199.13287	1.7
207.10205	75.3
208.10532	4.2
209.11761	11.3
210.12102	4.9
211.13347	100.0
212.13705	10.5
213.13928	2.4
225.11278	35.6
226.11610	3.1
235.08179	4.7
235.13159	1.3
243.12561	1.0
249.14915	2.0
250.15256	1.8
253.09283	16.4
315.23309	1.3
325.21756	2.1
343.22754	1.6
359.22223	3.8
369.20612	4.6
377.23322	4.4
387.21646	12.4
388.21970	1.2
405.22659	6.0
406.22842	1.1
429.21332	1.2
433.20953	1.0
443.19168	3.1
447.22241	3.4
461.20245	13.6
471.15527	2.7
479.37485	4.2
581.37006	3.1
595.31012	4.2
623.30811	24.6
624.31366	4.4
641.31610	27.7
642.31934	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	641.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.0
57.19785	0.7
59.01254	19.3
59.42069	0.7
60.34280	1.0
61.98701	2.0
63.72380	0.7
65.00175	0.8
67.01751	1.3
67.37763	0.7
68.99675	0.8
69.03326	0.8
69.57416	6.2
71.01257	10.0
72.99168	1.6
73.02802	1.1
75.00735	1.1
78.91770	0.7
78.95750	0.9
79.01755	1.4
82.86126	0.7
83.01272	1.7
85.02810	3.2
87.00734	2.1
89.02325	7.0
93.03349	0.7
95.01283	3.6
96.95916	4.0
101.02323	7.4
102.87054	0.7
107.01274	7.5
107.04940	0.8
109.02805	0.9
111.00754	2.6
113.02361	4.4
116.92770	5.2
119.03378	3.0
121.02858	1.1
122.99914	1.3
123.00769	18.3
124.01596	1.7
125.01442	1.3
125.02338	23.9
125.09637	1.3
127.11175	1.9
133.02885	1.0
136.98718	1.4
137.02353	1.0
139.00302	3.8
140.01103	3.8
141.01799	1.4
151.00293	9.2
151.03883	1.0
152.99553	0.8
161.02325	1.6
165.09138	0.7
166.88347	0.7
166.99716	1.1
168.00604	3.7
169.01346	27.1
170.01711	1.2
171.10161	3.3
175.03888	1.0
177.01808	1.3
179.03462	1.8
201.11266	25.0
202.11627	1.0
209.11774	1.3
211.02429	8.2
219.69495	0.8
227.12750	2.2
255.02968	1.3
256.03445	1.0
271.02264	0.8
271.04651	4.8
278.89835	0.7
285.04184	0.9
287.15033	4.2
300.02658	1.6
300.99911	1.3
301.03259	3.6
302.03540	1.7
309.20740	2.3
313.05652	1.1
327.21921	1.1
471.26059	0.9
489.27060	24.2
490.27246	2.6
596.92413	0.9
599.50513	0.9
615.17908	0.9
623.27094	1.1
641.28107	100.0
642.28400	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	641.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.9
59.01265	5.1
63.02263	1.3
65.00201	1.7
67.01750	0.9
68.99663	0.7
69.49364	5.1
71.01257	2.9
73.02806	1.1
80.82722	0.6
83.01250	2.3
88.98682	1.9
89.02318	1.9
91.66489	0.7
93.03328	2.3
95.01278	1.8
96.95879	2.8
101.02325	1.7
107.01263	5.7
108.02103	0.7
109.02834	2.1
113.02322	1.3
116.92734	2.3
117.03381	0.7
119.93537	0.8
121.02898	0.9
123.00768	2.4
123.04424	1.3
125.02345	9.0
132.02103	0.8
133.02843	1.2
135.00781	1.4
135.04417	2.5
136.01561	6.0
137.02324	2.0
143.04758	0.6
149.02391	1.4
151.00270	5.7
151.03900	4.0
152.00870	0.9
153.01846	2.3
159.04405	1.0
160.01561	1.2
161.02361	4.1
163.00325	4.0
165.01782	1.6
166.99945	0.8
167.05002	1.0
169.01376	7.9
175.03975	2.3
177.01836	2.2
178.99777	3.8
179.03424	2.7
183.04459	1.0
185.06004	1.9
187.03827	3.3
189.05519	1.4
193.01349	5.3
194.05731	1.4
195.04535	0.9
197.06064	1.3
199.03874	1.6
201.05540	0.8
202.99751	0.8
209.08061	1.8
209.11687	0.9
211.04005	3.4
213.05540	2.0
215.03477	1.0
217.04820	0.7
227.03470	28.4
228.03912	1.2
229.05054	11.0
230.05414	0.9
239.03453	1.5
241.04964	1.1
243.02876	1.8
255.02977	52.7
256.03598	6.4
257.04556	5.9
271.02441	4.7
272.03073	1.0
275.05411	0.9
283.02481	3.7
284.03262	62.8
285.04028	100.0
286.04367	7.5
287.01993	1.1
299.01959	3.9
299.05579	3.5
300.02591	2.4
300.99875	3.0
301.03442	1.9
302.03766	0.8
303.05026	3.1
316.02261	2.5
317.02817	1.7
323.07669	4.5
337.09393	0.7
382.10562	0.7
384.04785	1.1
385.05432	1.8
447.09241	5.5
448.08850	0.8
463.08734	1.4
479.08224	1.7
489.10400	25.4
490.10721	3.5
517.09845	2.2
623.14044	21.3
624.14850	3.5
624.95740	0.7
641.14410	7.9
641.27435	1.3
641.37207	1.0
642.15240	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	641.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	2.0
59.01256	5.4
65.00197	7.2
67.01772	1.7
71.01257	4.7
71.57439	2.4
78.51044	1.2
83.01257	4.1
83.29473	1.3
85.02830	2.2
88.13811	1.3
89.02312	2.0
92.00050	1.2
93.03339	2.4
95.01270	5.0
96.95905	2.4
96.99234	2.5
97.02818	1.8
99.00775	1.6
101.02332	1.8
107.01273	10.0
108.02112	1.9
109.02836	8.5
111.00758	10.9
118.80036	1.3
119.04940	1.8
123.00783	10.6
124.01582	2.8
124.98726	2.5
125.02324	16.9
126.02699	2.4
129.03366	1.5
133.02856	5.8
135.00806	2.8
135.04445	2.3
136.98709	3.1
137.02364	5.1
137.99564	2.0
139.00269	9.7
140.01009	2.4
141.01845	2.3
142.49156	1.6
143.03471	1.6
143.04933	2.7
145.02872	2.8
147.00781	1.6
147.04433	4.2
148.01532	2.9
149.02347	6.4
149.99496	4.6
150.02956	1.6
151.00264	22.2
151.03996	1.7
152.01003	4.9
153.01863	3.7
154.99741	2.2
157.02817	1.6
159.04402	5.2
161.02359	6.2
163.00279	5.8
163.03838	2.5
164.01083	2.5
164.98273	3.5
165.01779	2.9
165.99039	1.5
166.99765	6.5
168.00578	6.1
169.01358	21.8
170.01723	2.2
171.04446	3.9
173.02359	3.2
173.06041	1.6
174.03163	2.0
175.03868	8.2
176.01097	2.1
177.01840	6.6
177.99036	8.0
178.99777	28.3
179.03349	2.1
181.01268	3.9
183.04385	1.5
185.02431	3.1
187.03932	11.8
189.01901	7.0
189.05621	1.7
190.02586	2.6
190.99826	2.1
191.03432	4.6
192.00505	3.0
193.01344	5.1
194.99310	4.3
197.02425	1.9
199.03909	8.0
201.01852	5.1
202.02719	3.1
203.03462	13.6
204.04240	2.0
205.01340	4.7
205.04991	2.9
206.99292	4.8
207.02963	2.3
208.00073	3.2
209.00877	6.0
213.01854	3.9
214.02620	3.7
215.03404	10.0
216.00485	2.1
217.01337	5.6
217.04886	1.6
219.02930	4.5
221.04523	2.0
222.98796	3.6
227.03433	4.3
229.01320	6.9
230.02260	2.5
231.02916	11.9
232.03741	3.9
233.00929	1.5
233.04547	9.4
241.01413	2.5
242.02231	3.9
243.02922	18.5
244.03410	1.6
245.00891	5.6
245.04547	4.5
246.01500	1.8
247.02419	6.6
255.03148	3.3
257.00842	4.4
258.01630	4.4
259.02396	16.1
260.03113	3.0
261.00345	2.6
261.04074	3.8
269.00909	2.3
270.01367	1.8
271.02463	38.3
272.02899	4.5
273.00479	2.8
274.01392	1.9
275.02173	7.6
286.01166	4.5
287.01965	54.4
288.02600	9.9
289.03531	6.4
293.13577	1.5
297.00266	6.9
299.01932	14.0
299.99380	3.0
300.02771	9.6
300.99911	21.5
301.03513	8.6
302.00125	2.2
303.01288	2.6
305.03110	2.0
313.03503	1.9
314.00644	3.5
315.01462	100.0
316.01910	11.7
317.03018	5.1
327.45920	1.9
332.01636	10.8
333.02597	9.5
429.53516	1.9
455.19290	1.7
489.12811	2.7
498.59698	1.6
499.18021	3.5
501.12399	2.2
505.12186	3.4
541.15729	4.9
569.15356	2.6
595.12671	2.7
597.14728	5.1
613.13940	1.7
623.12799	12.3
641.13519	37.2
641.37616	1.8
642.13800	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	641.1152
Annotation	Quercetagetin 7-(6''-(E)-caffeoylglucoside)
Peak:m/z	Relative Intensity
58.64056	3.3
59.01254	9.3
65.00208	5.3
68.99691	3.1
69.57185	9.7
69.57612	13.7
71.01257	9.3
72.99197	3.2
73.97062	3.0
75.00735	6.6
85.02817	3.8
96.95906	8.1
101.02304	4.1
107.01280	14.0
109.02866	7.7
109.99989	15.4
111.00793	6.3
112.61111	2.9
121.02862	10.6
123.00793	9.3
123.04395	5.6
125.02344	21.6
125.99561	2.8
133.02863	8.0
135.04425	7.0
136.98726	3.4
137.02287	4.6
137.99548	4.1
139.00258	22.2
143.04951	3.4
145.02956	3.2
148.01620	3.2
149.02353	5.2
151.00310	28.4
152.00919	4.0
152.03416	2.7
153.02029	3.0
159.04521	4.5
161.02367	18.8
163.00288	7.5
165.01881	5.1
165.98997	23.3
166.02664	3.4
166.99826	17.4
169.01364	34.4
176.01025	4.1
177.01924	21.1
178.99736	24.0
179.03389	5.1
181.05058	5.5
183.04346	3.4
187.03908	4.8
199.03957	7.4
201.01958	4.2
203.03506	5.9
214.02734	3.4
215.03471	5.4
215.73087	3.5
217.01387	3.8
227.03438	12.0
229.01289	3.5
231.02850	7.0
242.02222	6.6
243.02979	17.7
244.03429	4.6
245.00699	3.2
255.02972	35.1
259.02542	5.2
270.01697	6.1
271.02478	100.0
272.02966	8.5
273.03906	8.3
285.04025	5.5
287.01923	23.8
288.02295	4.2
298.98666	5.8
299.01987	68.3
299.99432	2.7
300.02722	83.0
300.99863	18.2
301.03497	64.2
302.00293	6.5
302.03796	8.0
315.01447	4.7
316.02200	95.2
317.02997	87.6
318.03290	4.5
461.05746	3.4
463.08878	59.2
464.08951	9.0
479.08295	98.9
480.08664	12.1
531.11603	4.3
597.12292	3.5
623.10742	6.8
641.11383	67.9
641.37677	4.7
642.12079	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	639.339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.3
57.03313	5.2
59.01252	40.2
60.54362	1.0
71.01257	17.8
71.57941	2.0
73.02805	3.7
78.95786	1.3
81.03294	2.0
83.01273	1.8
83.04896	8.0
85.02822	7.3
86.47274	1.0
87.00739	8.3
89.02313	5.7
93.03338	1.1
95.01289	1.2
95.04894	1.3
95.86295	1.1
96.70071	1.1
97.02848	1.1
97.06466	1.3
101.02338	9.4
107.04909	5.2
110.76348	1.3
113.02319	7.5
119.03378	1.8
120.05687	5.8
120.24818	1.1
121.06490	1.2
123.08016	1.6
125.02328	2.5
126.79992	1.1
133.05028	1.5
135.04401	3.6
135.08040	2.5
135.11798	1.3
137.02365	1.5
139.07541	2.2
146.07310	1.6
152.04753	1.5
155.10658	4.8
157.06476	1.5
161.04431	3.5
161.09633	22.4
161.13251	11.2
162.09987	1.6
163.11247	5.8
164.11497	1.7
165.12831	2.1
169.01337	2.9
175.03949	2.3
179.10707	1.6
187.11205	28.1
187.23798	1.3
188.11549	1.6
189.09149	17.3
205.12274	13.9
207.10170	4.6
207.11920	1.3
209.11778	70.9
210.12114	46.8
211.12238	19.6
227.12897	3.3
227.16435	6.5
231.10277	1.2
246.68063	1.1
249.11298	9.8
253.09259	3.1
267.12421	8.6
268.12671	1.2
277.63593	1.3
287.15091	2.8
300.02808	1.6
389.21872	1.6
403.24213	1.8
421.25113	2.2
600.45551	1.2
621.33148	2.7
639.33801	100.0
640.34070	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	639.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.4
57.03320	4.9
59.01251	40.9
61.98706	1.3
63.95689	0.7
69.03328	0.9
69.43203	6.5
71.01253	17.8
73.02816	4.0
75.00753	1.5
79.05376	0.8
80.02545	0.7
82.81508	0.8
83.01273	2.2
83.04891	4.2
85.02824	8.8
87.00755	10.2
88.98693	0.8
89.02298	4.1
93.03354	1.0
93.50407	0.7
95.01262	0.9
96.95873	1.7
97.06473	2.4
99.00759	2.8
99.04521	0.7
101.02317	9.1
107.01233	1.0
107.04901	7.7
113.02325	7.4
113.05951	0.7
116.91747	0.7
119.03411	1.5
119.04870	0.7
120.05691	5.7
122.03587	0.7
123.00758	1.6
125.02336	2.2
133.06519	0.9
135.04398	2.5
135.11708	1.0
137.02296	1.1
137.09625	1.1
139.07571	1.1
143.08531	0.8
146.07239	2.0
147.08101	1.0
151.00204	0.8
152.04671	3.7
153.09131	1.6
155.10690	7.6
157.06505	1.8
159.02864	0.9
159.07990	1.7
159.11658	0.9
161.04501	4.0
161.09636	32.7
161.13269	13.7
162.09912	1.3
163.11163	2.5
168.00539	1.6
169.01334	4.3
172.08907	1.0
179.05519	0.8
179.10683	3.3
187.11214	39.4
188.11519	3.2
189.09145	22.7
190.09499	1.8
190.55411	0.8
203.10713	1.7
205.12283	16.5
206.12538	1.1
207.10182	5.1
209.11755	3.0
211.13264	3.9
227.16443	7.1
231.10298	1.3
249.11253	13.5
250.11554	1.4
253.09355	0.9
267.12341	10.8
268.12616	0.9
300.02634	1.0
301.03345	1.3
385.88779	0.8
389.21811	2.9
427.35120	0.8
444.02808	1.0
450.46640	0.7
495.26001	1.9
526.20764	0.8
542.22693	1.0
621.32733	0.9
639.33838	100.0
640.26135	1.1
640.34290	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	639.339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.1
57.03316	4.0
59.01249	44.0
61.98700	4.0
65.03828	2.6
71.01257	33.0
72.99161	2.5
73.02800	5.5
73.35332	1.4
78.95765	1.7
81.03300	2.7
83.01247	3.8
83.04904	13.6
85.02848	8.4
87.00743	9.6
87.04379	2.0
89.02316	15.2
92.36204	1.6
93.03311	2.0
95.01242	2.9
95.04881	2.1
95.40548	1.6
97.02805	2.6
97.06448	4.5
98.20554	4.1
99.00736	2.0
101.01807	1.8
101.02327	22.1
109.06470	4.2
111.00759	2.1
111.04399	1.8
111.08031	9.5
113.02362	9.9
119.03374	4.7
123.07933	2.9
125.02315	5.4
125.09592	12.0
127.11156	3.2
135.07973	2.8
136.05217	12.6
137.09601	3.3
143.03200	2.0
145.04932	5.2
149.05969	2.8
150.06709	5.4
155.06967	1.9
161.04396	7.3
163.07501	2.1
163.11157	3.3
165.09059	7.4
169.01360	2.3
171.10202	99.2
172.10478	5.2
183.13741	6.3
205.15877	4.6
209.11790	95.2
210.12038	6.7
211.13354	100.0
212.13574	3.6
215.14288	6.1
221.15344	3.6
231.13812	6.5
233.13283	1.7
233.15425	29.1
234.15625	2.3
235.08154	16.2
247.16920	2.0
249.14966	46.1
250.15271	4.5
251.16585	2.3
253.09242	14.5
311.22128	2.0
323.23859	2.1
341.24670	6.9
367.22638	4.9
375.25287	4.2
385.23862	37.0
386.24158	3.3
393.26294	3.0
403.24899	57.5
404.25015	6.6
421.25952	18.8
422.25983	2.4
447.22052	2.9
459.31317	2.3
477.31906	7.1
485.23557	2.4
488.35913	1.8
579.34631	3.3
609.32526	1.9
611.33948	4.4
619.82062	1.9
621.32782	75.7
622.33197	13.2
639.33716	61.2
640.34064	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	639.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03075	0.5
59.01258	5.1
61.51898	0.7
63.02274	0.9
65.00204	1.8
69.57187	3.8
69.57597	1.1
73.02821	0.8
77.30750	0.7
78.46514	0.6
78.76904	0.7
80.32123	0.6
83.01266	1.4
85.02805	0.7
88.98679	1.6
89.02352	0.8
95.48380	0.6
96.95914	0.8
101.02343	1.0
107.01276	3.8
108.02048	1.8
111.00784	0.8
116.92725	6.9
117.03357	0.6
118.98047	0.8
121.02861	1.8
122.16103	0.5
123.00753	0.7
125.02367	1.8
134.60176	0.5
135.00815	1.2
137.02269	0.6
147.00751	0.6
147.04425	0.6
148.01553	1.2
151.00267	12.5
152.00743	0.6
159.04445	1.0
160.01537	1.9
160.85715	0.6
161.02339	2.3
163.00305	2.2
164.00993	0.7
167.93987	0.6
168.78621	0.7
169.01324	3.8
175.03995	1.4
178.99754	5.3
187.03902	0.9
195.92334	0.6
199.03871	1.7
203.03384	0.9
207.10213	0.7
209.00882	0.9
211.03941	1.1
215.03430	0.7
226.02745	1.9
227.03436	4.8
229.05025	1.1
243.02942	11.6
244.03464	1.4
245.04517	0.8
246.98793	1.3
254.02205	2.6
255.02963	30.9
256.03311	2.9
257.04547	0.8
262.80991	0.6
271.02469	60.0
272.02914	6.2
273.03952	1.7
279.01340	1.3
283.02606	1.5
284.03146	1.3
285.04047	2.3
299.01999	3.3
300.02744	100.0
301.03439	38.2
302.03848	2.9
313.03586	2.0
314.04037	0.9
315.05087	5.7
323.07733	1.5
341.02994	6.2
342.03598	0.9
445.08005	0.8
447.09274	1.1
463.08807	45.8
464.09085	4.2
477.10559	3.0
503.08365	1.9
576.59021	0.7
639.13477	31.4
640.13892	6.8
660.17249	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.0
63.02261	0.4
65.00209	1.3
68.63074	0.4
69.30918	3.9
83.01266	0.9
89.38908	0.4
91.01773	0.5
96.95881	0.5
97.21038	0.3
107.01261	2.4
108.02077	1.4
109.02852	0.8
116.92754	1.0
119.01236	0.4
121.02834	1.7
124.01629	0.6
125.02369	0.6
133.02824	0.4
135.04401	0.4
139.03908	0.6
148.01561	1.7
150.87100	0.4
151.00272	9.1
160.01556	1.1
161.02341	2.7
163.00273	2.4
164.01050	0.5
169.01334	1.4
175.03926	1.2
178.99786	5.8
183.04462	0.5
187.03883	0.5
190.99812	0.5
199.03905	1.0
203.03481	0.5
211.03885	0.9
215.03470	0.5
216.04187	0.9
226.02684	1.5
227.03412	3.5
243.02954	10.1
244.03418	1.1
245.04478	0.7
254.02240	1.8
255.02971	26.4
256.03317	2.2
271.02472	52.3
272.02945	6.1
273.04037	1.7
283.02509	1.1
299.02014	2.8
300.02737	100.0
301.03439	39.3
302.03845	3.0
314.04266	0.8
315.05078	3.9
323.07700	1.6
343.04547	0.4
445.07391	0.5
463.08826	46.1
464.09018	4.7
477.10440	2.2
478.10828	0.4
639.13495	34.6
640.13892	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	639.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26668	0.4
59.01253	1.7
63.02267	0.9
65.00188	1.3
69.30737	2.6
69.31163	1.2
70.26236	0.3
83.01260	1.2
91.01763	0.3
107.01266	4.0
108.02071	1.3
109.02824	0.9
111.00753	0.4
116.17657	0.3
116.92747	1.8
120.02097	0.4
121.02837	2.2
124.01577	0.4
125.02322	0.8
126.46362	0.3
133.02783	0.5
134.03685	0.4
135.00758	1.0
135.04405	0.7
148.01540	1.5
151.00272	14.1
151.03874	0.5
159.04372	0.4
160.01585	1.1
161.02377	3.0
163.00247	2.8
164.01048	0.9
165.01854	0.3
169.01341	1.3
175.03911	1.4
178.99791	6.8
179.03404	0.6
187.03882	0.9
190.67146	0.3
190.99687	0.9
192.00542	0.6
198.03134	0.4
199.03940	1.3
203.03419	0.8
207.10255	0.4
211.03981	1.3
215.03455	1.2
215.38023	0.4
216.04219	0.6
226.02686	1.4
227.03477	3.4
228.03926	0.5
229.01521	0.4
229.04961	0.8
243.00471	0.6
243.02956	11.2
244.03484	0.5
245.04512	1.5
246.99013	0.4
254.02177	2.1
255.02972	29.1
256.03418	2.2
271.02469	58.6
272.02908	6.2
273.03949	1.3
274.88354	0.3
279.01312	0.4
283.02435	1.5
285.03717	0.5
299.01947	2.9
300.02737	100.0
301.03458	47.5
302.03934	2.8
314.04269	0.9
315.05038	3.2
323.07651	2.2
337.09305	0.4
343.04395	0.4
463.08820	45.8
464.09088	4.9
477.10193	3.0
525.23352	0.3
639.13513	43.3
640.13776	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	639.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.9
62.14919	0.4
96.95923	0.6
102.78545	0.4
113.83393	0.4
117.03310	0.5
123.00773	0.5
125.02347	1.0
132.02045	0.7
134.03650	2.7
145.02859	0.6
147.00806	0.8
151.00288	0.7
160.01564	1.9
160.94113	0.5
166.02589	2.6
169.01373	1.1
172.01572	2.9
173.02380	1.1
181.04991	2.6
185.02359	1.5
188.01118	1.0
193.04865	0.6
199.00319	0.5
200.01088	3.2
201.01834	1.3
216.00598	4.6
226.99838	0.8
228.00589	2.5
229.01454	2.9
242.99326	2.4
244.00130	4.4
245.00742	1.2
254.99266	0.6
257.00815	1.2
270.98776	2.6
271.99612	2.0
282.98764	2.1
283.99570	2.0
298.98306	3.1
299.99124	100.0
300.99881	79.8
302.00244	6.1
315.01474	3.5
387.10870	0.9
417.15594	6.0
445.04306	0.9
446.04657	0.5
462.99030	0.4
463.05121	9.0
464.05646	0.7
477.06738	2.6
634.97363	0.4
639.09937	57.6
640.10309	9.0
648.96362	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00625	0.2
57.03305	0.5
58.00470	0.3
59.01250	4.7
61.98687	0.4
67.01736	0.2
68.61866	0.2
69.03319	0.3
71.00890	0.3
71.01251	3.5
72.99168	0.4
73.02804	0.6
75.00717	0.2
77.47503	0.2
78.95769	0.2
80.02542	0.9
81.03336	1.1
82.01656	0.2
83.01257	0.5
83.04895	4.1
85.02829	1.2
87.00748	0.6
89.02312	1.6
95.01248	0.4
95.04920	0.9
96.95878	0.2
97.02826	0.4
97.06477	0.3
98.01233	0.2
98.20493	0.4
99.00743	0.3
101.01813	0.2
101.02334	2.5
107.01250	0.4
107.04916	0.3
109.06490	0.5
111.00726	0.2
113.02332	1.5
117.31534	0.2
119.03379	0.6
119.93966	0.2
120.05683	0.2
123.00741	0.4
123.08045	0.3
125.02328	1.5
125.05968	0.4
125.09618	0.7
133.04936	0.3
135.08029	0.8
139.00252	0.4
140.00975	0.2
145.04962	0.2
146.85524	0.2
147.08015	0.2
147.11668	0.2
149.09613	0.2
151.00223	0.2
153.09111	0.3
155.07024	0.5
161.04442	0.7
161.09654	0.4
163.11211	3.4
165.12759	1.8
168.00560	0.4
169.01320	1.5
171.10176	0.7
179.05545	0.3
181.12268	0.4
185.11742	0.3
187.11255	0.5
189.09032	0.3
191.10687	1.0
205.12303	0.3
209.11775	100.0
210.12105	6.1
211.02380	0.3
211.13287	0.4
221.15469	0.2
223.13266	0.2
235.08257	1.1
247.13359	0.6
249.14951	1.1
253.09258	3.3
275.12985	0.2
300.99890	0.2
321.22379	0.4
327.73584	0.2
329.24652	0.3
339.23248	0.7
355.23004	0.3
357.24310	0.3
360.86627	0.2
365.21423	0.4
373.23831	0.3
383.22284	2.1
384.22629	0.3
391.25027	0.3
401.23306	6.1
402.23605	0.8
410.53857	0.2
419.24332	3.0
420.24832	0.2
445.20810	0.4
619.31445	0.8
637.32562	9.6
638.24500	0.2
638.32916	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	637.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07832	0.1
55.01751	0.1
57.03333	0.2
58.00465	0.1
59.01255	1.9
69.03333	0.1
71.01253	2.0
71.01614	0.2
71.57864	0.2
72.99187	0.3
73.02812	0.4
79.05404	0.2
80.02543	1.0
81.03324	1.0
83.01273	0.3
83.04899	4.1
85.02834	0.6
87.00755	0.5
89.02332	1.0
93.03344	0.1
94.73468	0.1
95.01286	0.3
95.04920	0.7
96.13417	0.1
96.95863	0.1
97.02850	0.2
97.06478	0.3
99.00761	0.1
99.04404	0.1
101.02335	1.2
103.03921	0.1
107.04917	0.1
109.06459	0.3
111.08033	0.1
113.02347	0.8
119.03383	0.3
121.02863	0.1
123.00799	0.1
123.08077	0.2
125.02368	0.4
125.05977	0.4
125.09617	0.7
129.01831	0.1
133.04916	0.1
135.08075	0.6
143.03381	0.1
145.04951	0.2
147.11694	0.2
153.01698	0.1
156.00995	0.1
161.04495	0.6
161.09532	0.1
163.11200	3.6
164.11510	0.2
165.12761	2.1
166.13048	0.1
169.01332	0.2
171.10181	0.4
179.05508	0.1
181.12300	0.6
185.11804	0.2
188.05057	0.1
191.10730	1.0
206.12616	0.1
209.11777	100.0
210.12111	5.3
211.13362	0.3
221.11736	0.1
221.15421	0.1
231.13814	0.4
235.08153	1.1
235.50226	0.1
241.26459	0.1
247.13400	0.3
249.14896	0.8
253.09270	3.2
254.09573	0.2
268.49442	0.1
269.13919	0.3
321.22092	0.2
339.23157	0.4
357.24432	0.1
383.22266	1.0
384.22562	0.1
401.23294	3.1
402.23645	0.4
419.24402	2.0
420.24615	0.2
445.20862	0.5
475.26788	0.2
493.27963	0.1
599.70422	0.1
619.30817	0.4
637.32269	5.4
638.32642	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58511	0.7
56.99720	0.6
57.03318	1.3
58.00460	0.7
59.01252	15.0
65.03845	3.6
68.26360	0.6
69.03325	2.1
69.32413	0.6
70.62927	2.1
71.01257	11.3
72.99181	1.1
73.02814	2.3
81.03329	1.3
83.01252	1.5
83.04890	1.6
85.02840	3.9
85.99956	0.7
86.50095	0.6
87.00743	4.6
88.35811	0.6
89.02312	5.8
91.05402	2.2
93.03342	1.3
95.01238	1.3
95.04888	1.6
97.06467	3.5
99.00757	1.0
101.02329	8.7
105.06997	1.2
107.04932	0.9
109.06462	0.9
111.08033	1.4
113.02316	5.7
115.05405	2.7
117.07020	0.8
119.03371	1.4
119.04903	0.9
123.08066	1.9
125.02331	1.3
125.09610	12.0
131.04922	0.8
133.06638	0.6
135.08029	2.2
137.09586	0.6
145.04951	2.5
157.10098	0.7
161.04451	2.4
163.11209	1.3
171.10197	3.8
173.13248	0.7
179.05408	0.9
185.09604	0.8
185.11768	4.7
187.09668	1.9
187.14815	5.3
191.10669	0.8
195.11714	1.1
201.12601	1.0
203.14375	0.9
205.12296	1.0
209.11783	12.1
213.12840	7.7
215.10719	1.8
221.15564	1.4
227.14445	1.2
229.12358	0.8
231.13858	10.8
232.14140	1.0
233.11826	1.9
235.08194	4.5
235.13405	1.7
247.13264	1.7
249.14934	2.2
253.09276	1.2
261.15005	1.8
273.14798	1.1
321.22409	1.0
329.24664	1.0
339.23129	3.4
355.22839	2.0
357.24377	2.3
358.24741	0.9
365.21164	2.9
373.23828	3.4
383.22287	16.9
384.22690	1.6
391.24799	1.6
401.23276	19.3
402.23645	2.8
403.31659	0.8
419.24411	6.1
420.25021	0.9
509.80634	0.8
542.05780	0.8
609.32623	1.4
619.31226	100.0
620.31543	17.8
637.32251	22.9
638.32733	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	637.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.0
59.01250	10.4
61.98709	2.5
65.00209	0.6
67.01751	1.2
68.99674	0.6
69.03327	1.4
69.45460	0.6
71.01250	8.0
71.04875	0.7
71.05523	1.3
72.99168	0.6
73.02816	1.6
78.95766	0.7
79.01765	1.4
81.03340	1.5
81.33051	0.6
83.01258	1.4
83.04901	1.9
85.02837	2.5
87.00756	2.0
89.02326	3.4
95.01266	2.9
95.04908	1.0
96.95903	1.0
97.02837	1.8
97.06452	1.2
99.00787	1.0
101.02328	4.5
107.01271	9.3
107.04893	0.8
111.00783	3.4
113.02347	2.6
114.18398	0.5
119.03408	0.9
119.04897	0.8
123.00776	13.8
123.01672	1.0
124.01588	2.7
125.02341	48.3
125.09612	1.4
126.02710	1.4
127.00292	1.3
127.11192	1.6
135.04430	0.7
136.98706	2.1
137.02383	1.1
139.00270	4.9
140.01105	4.7
141.01872	1.3
147.04442	0.8
151.00285	6.0
151.03792	0.6
153.01886	1.5
153.09122	1.1
154.99644	0.6
155.07114	0.9
161.04471	0.7
161.09570	1.5
163.11185	2.2
165.12709	0.6
166.99794	0.8
167.03436	0.7
168.00557	11.1
169.01343	62.0
170.01689	1.8
171.10156	0.9
175.03929	0.7
181.01381	1.2
181.04990	0.6
187.11249	1.8
189.09167	1.4
193.01414	1.7
198.12091	0.5
205.12347	0.9
209.11775	31.3
210.12189	1.3
211.02423	14.1
211.05605	0.6
211.13393	1.0
225.14960	0.7
231.13817	0.8
235.08229	1.3
241.03583	0.9
249.11459	1.1
249.14899	1.1
253.03484	1.0
253.09453	1.5
271.04587	12.5
292.71222	0.6
295.04526	1.2
300.99579	0.6
313.05701	4.1
321.21967	0.6
339.23328	1.7
355.22748	1.2
357.24667	0.8
373.23837	1.8
383.22195	4.5
401.23260	8.8
419.24496	3.5
448.65634	0.7
467.19366	2.4
483.07629	3.2
485.20309	5.6
486.20578	0.7
609.32886	1.6
619.31415	1.9
632.23303	0.6
636.31122	2.2
637.21356	100.0
637.32196	27.3
638.21844	12.9
638.31946	1.2
665.78748	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.5
59.01250	12.8
60.23743	0.7
61.98712	3.6
65.65489	0.8
67.01781	1.0
69.03336	1.2
69.55224	4.5
71.01250	10.2
72.44040	0.8
72.99191	1.5
73.02811	2.5
73.56100	0.7
79.01811	1.2
81.03336	1.6
83.01264	1.6
83.04904	2.5
85.02823	3.2
87.00761	2.5
89.02324	3.7
91.05370	0.7
95.01258	3.0
95.04883	1.2
96.95886	1.4
97.02825	1.3
97.06465	1.1
98.19743	1.4
98.54527	1.0
99.00757	0.9
101.02326	5.4
107.01276	9.6
109.06485	1.7
109.42959	0.7
111.00784	3.6
113.02317	4.4
119.03395	1.1
121.02911	0.8
123.00775	12.5
123.08057	1.0
124.01558	2.4
125.02339	53.4
125.09626	2.2
126.02721	2.2
127.00265	1.6
127.11161	1.6
131.03374	0.9
135.04427	1.1
136.98706	2.8
139.00276	5.1
139.03944	1.0
140.01062	4.9
141.01793	1.0
151.00298	5.1
153.01740	1.1
155.07043	1.3
161.04437	1.6
161.09615	1.0
163.11194	2.1
168.00563	11.3
169.01343	70.8
170.01682	2.8
179.05579	1.0
185.11786	0.8
187.11247	1.3
189.09164	0.9
191.03459	1.0
191.10732	0.9
193.01295	1.6
205.12251	1.3
209.11781	44.7
210.12119	1.6
211.02415	20.6
235.08182	1.9
241.03351	1.2
249.15131	1.0
253.09279	1.9
269.81589	0.9
271.04596	14.3
272.05078	2.1
300.99854	1.0
313.05563	4.8
321.22162	0.9
339.23154	1.4
355.22623	1.2
357.24026	1.0
365.20868	1.0
373.23730	2.3
383.22244	4.6
391.25024	1.7
400.22333	1.6
401.23233	11.3
418.23297	0.9
419.24487	5.8
467.19049	2.2
483.07779	8.4
485.20239	4.6
619.31042	2.9
636.31244	2.9
637.21320	100.0
637.32159	27.2
638.21863	15.2
638.32056	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	637.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	7.2
68.99738	1.6
69.03332	2.3
69.46768	3.8
69.47173	11.0
71.01261	9.4
71.40784	2.1
83.01217	1.5
85.02852	2.6
87.00776	2.6
89.02332	4.6
95.01278	1.8
96.95919	2.8
98.20610	3.2
101.02332	7.2
107.01279	10.8
109.06470	4.1
111.00768	3.4
113.02306	3.8
116.83311	1.7
119.03405	2.9
123.00765	10.4
124.01591	2.2
125.02339	79.7
125.25842	1.4
126.02677	4.7
139.00302	4.4
140.01086	4.9
141.01813	1.8
143.03375	2.3
151.00302	5.2
165.01868	1.7
166.99788	4.4
167.03456	1.7
168.00581	11.6
169.01343	100.0
170.01709	3.1
187.13919	1.7
193.01341	2.4
211.02420	42.1
212.06232	1.9
241.03543	2.4
271.04590	32.4
271.07230	2.9
275.01834	2.3
286.98239	1.8
301.00098	8.1
313.05844	4.1
331.06674	2.7
415.16034	5.9
483.08066	5.9
485.13022	46.5
486.13184	2.2
504.74707	1.9
577.21368	6.6
637.14233	89.6
638.14581	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	637.141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44368	2.1
56.19243	2.0
59.01242	7.6
67.01760	2.6
69.03319	2.4
70.44630	8.2
71.01260	6.5
72.99182	2.7
78.95786	2.0
83.01242	2.5
85.02824	4.3
89.02316	5.0
91.05302	1.8
95.01283	2.1
96.95890	25.1
97.02853	2.4
101.02328	5.1
103.74479	2.0
107.01261	17.1
109.06463	6.3
111.00747	5.0
117.62640	1.9
119.03433	2.5
123.00773	8.4
124.01591	3.3
125.02343	75.7
126.02702	3.4
139.00249	4.6
140.01065	4.6
151.00322	3.3
153.05450	4.0
163.00352	2.4
166.99728	2.9
168.00528	9.3
169.01343	100.0
170.01683	3.3
175.03915	2.3
177.03864	2.5
211.02425	35.1
212.02774	3.3
218.99025	1.9
247.02330	2.3
255.02858	3.2
262.03226	2.1
268.59760	2.1
271.04654	37.9
272.05185	2.5
300.02676	10.5
300.99841	9.1
301.03503	9.3
305.06592	4.0
313.05560	4.5
331.06726	3.4
393.87714	2.0
463.08810	12.5
467.12119	11.9
485.13025	62.1
486.13342	6.3
576.85754	2.1
637.14081	52.2
638.14514	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	637.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	7.0
65.00218	7.4
67.01758	8.2
69.60429	5.6
69.60765	41.3
71.01263	20.5
76.26597	4.9
83.01266	20.6
85.02827	12.0
87.35038	5.1
88.94311	4.9
89.02304	5.4
95.01284	27.5
99.00800	5.1
101.02315	5.8
107.01273	11.3
107.89520	6.2
109.02841	9.4
111.00764	31.0
113.02337	21.8
114.58869	5.6
116.58114	4.8
121.02848	7.1
123.00793	22.8
125.02359	72.5
126.02640	9.2
127.18550	4.9
135.00974	5.7
137.02377	47.5
139.00287	22.6
145.02893	7.6
147.00798	6.6
151.00316	13.6
154.99791	24.2
163.00291	96.1
164.00981	11.0
165.01852	71.3
166.99797	15.4
168.00587	8.4
169.01340	81.7
170.01654	10.1
171.01915	6.1
177.01892	11.2
178.99794	9.8
190.99792	81.8
193.01454	10.5
201.01871	6.4
203.03328	6.5
208.00092	23.2
209.00851	99.3
211.02435	14.7
217.01418	9.1
219.03000	8.8
221.00803	9.9
229.01355	7.8
234.98875	8.6
246.01709	5.8
247.02493	8.0
257.01010	8.2
261.00308	6.7
263.01947	9.6
271.04510	9.5
275.01999	13.0
285.00443	5.5
299.04227	18.8
300.99902	59.5
302.00500	6.3
335.04092	9.2
353.05109	100.0
354.05109	6.5
379.03192	6.6
395.72650	6.0
447.05469	10.8
461.03384	9.9
463.05154	59.1
464.05524	6.9
475.05069	64.5
476.05569	11.5
485.12900	16.0
491.04538	46.2
501.02997	15.3
538.80157	5.9
636.08405	6.3
637.09045	56.7
638.10632	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	637.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	6.6
67.01759	9.6
69.03326	3.6
71.01258	14.4
71.24077	11.5
83.01256	16.8
85.02831	8.2
93.03304	5.4
95.01286	20.1
95.79183	4.5
96.90900	4.0
97.02814	4.6
107.01274	5.1
109.02840	9.0
110.37307	4.3
111.00753	23.7
113.02345	10.4
123.00761	6.6
125.02338	15.5
136.89186	4.2
137.02344	51.2
139.00288	24.9
147.00783	12.2
149.02435	5.8
151.00278	11.3
154.99770	24.7
163.00301	98.9
164.00992	10.0
165.01852	84.1
166.99850	4.6
169.01326	9.3
173.02371	4.3
175.03978	6.1
177.01845	12.8
178.99721	7.9
182.99300	5.3
189.01785	7.2
190.98186	7.1
190.99786	77.2
192.00223	5.6
193.01291	5.2
206.99440	4.6
208.00121	29.4
208.42911	4.0
209.00858	98.0
217.01543	4.6
229.01328	9.6
234.98839	7.9
240.47787	4.5
241.01460	5.0
245.00937	7.6
254.23299	4.6
257.00809	6.7
263.77023	5.5
264.99908	6.6
271.04614	6.6
273.00394	8.4
275.01736	11.1
285.00461	5.2
299.04114	20.2
300.99847	45.1
302.00229	7.0
312.99887	7.4
316.99396	4.6
335.03989	7.4
353.05167	100.0
354.05463	6.9
379.03036	15.5
433.03726	5.4
437.07562	5.1
447.05698	11.7
461.03610	10.6
463.05142	53.8
464.05310	6.4
473.03244	9.0
475.05200	95.4
476.05374	7.9
478.36349	4.2
491.04688	46.7
492.05023	5.8
501.03159	21.5
519.04297	6.0
636.09491	4.4
637.07416	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	635.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43657	1.4
51.65513	1.3
57.03333	8.1
59.01253	74.6
61.98709	13.3
69.03333	1.9
71.01253	25.9
71.57669	1.7
72.99180	3.4
73.02814	6.0
83.01249	5.0
83.04903	7.1
85.02836	9.1
85.99969	1.4
87.00744	13.0
87.04324	1.5
88.98683	1.5
89.02319	12.2
89.24537	1.3
95.01268	3.5
96.95878	8.2
97.06469	3.3
97.14400	1.3
99.00761	1.8
101.01668	2.1
101.02319	17.2
107.01250	2.9
107.04935	6.7
109.06436	1.7
111.00697	1.9
113.02326	8.0
119.03345	3.2
119.04858	1.6
120.05684	6.5
121.02797	1.4
121.06479	1.9
123.00786	4.7
123.08025	2.0
124.01551	1.8
125.02348	13.1
135.04396	3.8
139.00301	1.7
140.01006	2.3
146.07355	1.6
147.04456	2.0
147.08032	1.9
151.00237	4.2
151.07571	3.7
152.04659	4.3
153.09132	8.0
157.06522	2.3
159.02904	1.4
159.08011	2.9
159.11679	1.8
161.04425	5.5
161.09636	29.5
161.13280	12.8
163.11220	8.2
165.05444	4.5
165.09024	1.8
168.00563	3.2
169.01337	15.3
170.01581	1.7
171.10132	3.0
179.10667	2.8
187.09557	2.6
187.11215	40.6
188.11562	2.3
189.09134	21.8
195.44305	1.6
201.12794	2.2
203.10625	4.3
205.12271	18.8
207.10214	9.4
209.11790	2.7
221.11885	2.2
223.13361	27.1
229.12204	3.0
245.11723	2.6
249.11288	22.0
265.14578	1.5
267.12378	34.4
268.12637	2.8
298.98621	1.6
299.99268	1.6
300.99857	3.5
301.03476	3.3
309.13403	3.3
339.14435	3.9
355.24866	2.5
369.15536	23.8
369.22827	2.0
385.18387	1.7
401.18167	30.9
402.18536	3.1
425.18243	4.2
429.17645	26.4
430.17773	2.5
469.17105	5.3
514.88324	1.7
585.82800	1.4
617.29889	2.6
635.21234	6.3
635.30615	100.0
636.20557	2.4
636.31049	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	635.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	1.5
65.00190	0.7
67.01751	0.8
69.03312	1.1
69.35571	2.1
69.35996	2.3
71.01234	1.9
72.99196	0.7
77.89043	0.5
79.01742	1.1
83.01273	0.8
84.36782	0.5
85.02811	0.6
95.01274	2.3
97.02832	1.5
98.19831	1.0
101.02321	1.5
107.01277	8.5
109.99984	1.2
111.00763	4.1
113.02317	0.9
123.00773	14.7
124.01637	2.4
125.02337	40.8
126.02663	1.8
127.00241	1.4
136.98708	2.1
139.00272	5.1
140.01060	6.5
141.01851	1.2
151.00284	8.9
153.00670	0.6
153.01834	1.5
158.22633	0.5
163.03789	0.5
168.00560	9.0
169.01341	43.0
170.01634	2.0
181.01343	1.0
181.04907	0.6
193.01419	0.7
193.05020	0.5
208.84164	0.6
211.02376	2.7
212.02725	0.6
237.04190	0.5
241.85176	0.5
271.04584	2.1
272.04788	1.3
313.05692	0.9
318.87918	0.5
319.11853	1.0
321.12726	0.6
453.17657	1.5
465.17685	4.8
482.17334	2.0
483.18533	17.4
484.18878	1.9
635.19733	100.0
636.20087	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	635.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02058	0.5
59.01258	4.1
61.98662	0.5
65.61901	0.4
65.72842	0.4
66.74897	0.5
67.01788	0.5
69.03332	0.7
71.01257	3.5
71.57441	0.8
72.99198	0.6
73.02815	1.0
75.00761	0.7
79.01758	0.7
83.01208	0.8
85.02828	1.7
87.00756	0.8
87.68524	0.5
88.98656	0.9
89.02333	0.6
95.01258	1.3
96.25475	0.5
96.95894	5.5
101.02317	1.5
107.01269	3.9
109.02821	0.9
111.00776	2.4
113.02351	1.3
123.00778	11.4
124.01562	1.6
125.02347	17.5
126.02678	0.9
135.04404	1.8
136.98705	0.9
137.02296	1.4
139.00294	3.4
140.01080	3.8
141.01845	2.2
151.00278	7.5
153.01830	0.7
161.02310	1.0
166.99773	0.6
168.00546	4.4
169.01344	26.7
170.01726	0.8
175.02463	0.4
177.04028	0.9
179.03450	1.3
183.02908	0.7
192.22647	0.5
211.02414	8.5
212.02681	0.9
257.00903	0.6
271.04636	9.0
272.04944	0.8
273.05109	0.7
275.01712	0.6
285.04025	0.9
292.32092	0.5
299.99136	1.4
300.96512	0.5
300.99893	7.5
301.03085	0.9
302.00275	1.4
303.00833	0.5
313.05566	1.8
331.08353	1.3
332.08514	0.5
335.07690	1.0
481.17084	1.1
482.17664	1.3
483.18719	100.0
484.19046	11.8
617.11981	0.6
635.09528	0.9
635.19983	9.0
636.20490	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73761	0.9
55.01764	1.1
56.82761	0.9
59.01250	3.6
61.98690	0.9
67.01759	1.9
68.99663	1.2
69.17381	0.8
71.01258	3.8
72.99181	1.6
73.02818	1.3
73.17594	0.9
79.01772	1.7
83.01255	2.5
85.02824	1.1
86.32265	0.8
89.04581	0.8
91.00262	0.9
95.01244	2.7
97.02872	2.3
98.20566	2.2
98.24374	0.9
101.02314	2.7
103.49245	0.8
107.01273	11.0
109.02811	1.0
109.99966	1.2
111.00764	5.6
113.02267	1.4
119.32712	1.0
123.00764	22.1
124.01546	3.8
124.35007	0.9
125.02337	42.3
126.02699	1.1
127.00239	1.9
136.98718	3.4
139.00243	7.2
140.01067	7.9
141.01834	3.6
151.00273	13.5
152.31421	1.0
158.45421	0.9
168.00562	12.0
169.01338	46.8
170.01668	1.8
177.91000	0.9
180.95065	0.8
211.02592	1.1
313.05658	2.0
316.07236	1.0
326.63217	1.0
373.04828	1.1
383.18079	1.1
453.17444	2.1
465.17804	5.4
483.18716	79.6
484.19119	9.2
635.19830	100.0
635.29504	3.5
636.20239	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	635.0893
Annotation	1-O,2-O,6-O-Trigalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
67.03648	1.1
69.03313	2.2
69.50797	1.3
71.00934	2.5
71.01263	2.5
80.35789	1.1
82.62274	1.3
85.02835	1.6
95.01244	2.4
97.02810	1.4
99.80885	1.2
101.02319	2.3
107.01260	6.7
109.02859	1.2
111.00766	2.1
113.02272	1.9
123.00790	8.8
125.02338	62.2
126.02644	2.9
136.98721	1.3
137.02411	1.6
139.00262	2.8
140.01027	2.8
145.02861	1.6
151.00272	4.5
165.01765	1.9
166.99675	1.3
167.03415	2.3
168.00574	8.6
169.01340	100.0
170.01657	3.3
179.03407	1.4
181.01337	3.4
193.01363	14.2
211.02428	21.2
235.02483	1.8
241.03516	2.1
253.03561	1.9
271.04623	10.7
275.02078	1.5
295.04581	2.4
300.99942	9.3
302.00339	6.0
303.00363	5.0
313.05688	8.5
314.06058	1.6
325.28571	1.3
331.06424	1.7
337.36664	1.3
423.05612	13.2
424.06381	1.4
465.06653	9.7
483.07791	6.6
635.08807	71.7
636.09515	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	635.0891
Annotation	Gallotannin
Peak:m/z	Relative Intensity
69.03329	2.6
71.01246	2.5
87.00755	1.2
95.01277	2.1
97.02902	1.3
98.19805	4.0
101.02322	2.3
105.16145	1.0
107.01266	7.4
111.00740	2.0
113.02320	1.9
123.00774	9.1
124.01533	2.5
125.02344	81.6
126.02673	1.9
127.00264	1.7
132.45708	0.9
137.02362	2.1
139.00281	3.1
140.01062	4.9
141.01822	1.1
151.00285	3.9
165.01852	1.8
166.99779	2.5
167.03360	1.1
168.00578	10.2
169.01347	100.0
170.01675	3.7
177.01863	1.2
179.03308	1.1
181.01245	2.3
183.02913	1.2
191.03461	1.3
193.01369	11.0
211.02440	24.4
212.02715	1.0
221.04477	6.8
223.02434	1.0
230.36395	1.2
235.02403	2.8
241.03487	2.2
253.03609	1.2
271.04623	11.5
280.54807	1.1
295.04669	4.3
303.10699	0.9
313.05658	14.5
355.83514	0.8
423.05743	11.9
465.06619	9.0
483.07748	7.1
569.88501	1.1
617.07703	1.8
635.08899	93.7
636.09180	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	635.0892
Annotation	1-O,2-O,6-O-Trigalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01245	0.9
59.95160	0.6
67.01752	1.3
69.03327	2.5
69.46700	0.8
69.47007	6.3
71.01250	3.3
72.99170	0.7
78.51505	0.6
79.01759	0.7
80.10971	0.6
81.03333	1.6
83.01270	1.5
85.02821	1.9
89.46178	0.6
89.67395	0.7
95.01252	2.4
96.95915	1.4
97.02838	2.2
98.19817	1.1
98.24618	0.7
99.00805	0.7
101.02333	2.3
102.03745	0.6
103.22554	0.7
107.01265	8.6
111.00781	2.3
113.02329	1.9
123.00744	9.3
124.01574	2.4
125.02333	86.9
126.02668	2.5
127.00298	0.8
136.98669	0.9
137.02390	1.2
137.92360	0.7
139.00275	3.1
140.01053	3.4
141.01843	1.0
145.02814	0.7
151.00273	4.7
151.03915	0.8
161.02423	1.0
163.03929	1.4
165.01903	1.2
166.99806	1.4
167.03433	1.2
168.00549	6.3
169.01334	100.0
170.01672	3.9
179.03494	0.9
181.01408	1.0
193.01398	3.7
194.97743	0.7
196.23561	0.8
203.03371	0.9
207.02924	0.7
211.02408	9.1
241.03532	1.4
245.00816	0.9
270.98718	1.4
271.04565	4.2
275.01886	0.8
295.04651	2.9
300.99899	3.4
302.00247	2.0
303.00391	0.9
313.05621	28.4
314.05841	1.3
395.54034	0.7
423.05649	3.0
454.77966	0.8
465.00006	1.5
465.06638	28.3
466.07001	2.2
468.91211	0.7
483.01196	1.1
483.07721	14.6
484.07947	1.5
635.08850	84.4
636.09052	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	635.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	5.7
62.22142	5.7
65.72410	7.0
69.16409	6.3
71.01242	15.1
71.57540	10.1
71.57902	6.6
83.18095	6.3
85.24839	5.6
96.95882	55.3
107.01295	10.1
123.00783	10.4
125.02348	57.9
143.59114	5.5
151.00276	16.9
158.18425	5.4
168.00523	7.3
168.69749	5.7
169.01355	93.9
241.75687	7.7
255.02943	18.1
284.03329	18.5
285.04016	17.0
301.00116	9.1
313.05719	14.8
599.10364	100.0
600.10986	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04061	0.5
57.03315	1.1
59.01242	1.2
65.03830	1.2
69.03336	3.2
69.64242	3.3
71.01247	0.7
83.04878	0.8
85.06452	1.4
93.06969	4.3
99.08041	4.2
121.10130	1.8
122.59507	0.5
137.05984	17.0
138.59993	0.5
145.02682	0.6
155.07050	7.8
160.96599	0.5
165.05234	6.5
167.10693	100.0
168.11053	4.9
169.01474	0.6
177.05275	8.0
177.06808	0.8
178.05569	0.6
209.04272	6.2
221.04297	4.0
222.04814	0.6
223.92180	0.6
286.38913	0.6
300.99792	3.7
302.00381	0.5
315.15909	0.6
327.15765	7.8
328.16071	1.1
357.20398	0.7
359.24796	0.6
465.22470	1.3
495.27341	6.8
496.27863	1.1
548.74365	0.6
632.40143	0.6
633.07281	1.8
633.33282	11.8
634.07489	0.6
634.33856	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	633.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	5.3
59.01255	7.9
60.99179	1.9
61.98699	2.4
69.03328	1.1
69.30221	6.9
71.01262	5.9
72.99151	1.0
73.02816	2.2
77.27887	0.7
78.95773	0.9
79.95584	0.8
80.02546	1.0
81.03336	1.0
83.01251	1.6
83.04892	4.4
85.02824	2.1
85.91335	0.7
87.00743	1.9
88.56373	0.8
88.98676	11.5
89.02313	5.8
90.45081	0.9
95.01247	1.0
95.04914	2.0
96.95905	2.0
97.06470	15.8
101.02328	5.3
113.02338	2.7
119.03408	1.3
123.00791	1.2
123.08054	10.0
125.02371	3.6
125.09618	100.0
126.09954	3.8
143.10759	1.9
145.04904	0.8
151.00238	1.5
161.04457	2.2
163.11194	3.5
165.12730	1.5
169.01350	2.8
169.08611	2.1
171.10193	1.2
179.05565	1.0
183.09590	0.9
187.09686	71.1
188.10028	4.3
190.99826	1.9
201.01797	1.3
206.02139	2.6
209.11778	51.4
210.12108	3.1
221.04462	2.5
225.11166	1.6
227.12927	6.1
231.10204	0.7
235.08247	2.7
253.06961	0.7
253.09293	4.9
265.07138	0.8
271.02417	5.1
275.01987	2.0
300.02795	5.0
300.99893	11.2
301.03384	2.0
302.00189	1.3
405.17633	6.7
406.17725	0.9
418.50717	1.0
423.18723	21.8
424.19064	1.5
463.05264	1.7
515.17566	0.8
576.06848	0.8
615.30334	8.6
616.30609	1.5
633.08838	5.5
633.22113	3.6
633.31207	73.2
634.08179	1.4
634.21899	1.2
634.31647	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	633.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56687	0.9
59.01245	4.3
66.50923	1.1
66.99765	1.0
69.40809	7.6
69.41225	2.4
71.01260	3.4
80.98042	1.2
89.02303	1.3
93.03306	1.2
95.01261	1.6
96.95897	9.9
98.19864	2.5
101.02328	1.6
102.38126	1.0
107.01257	3.0
109.06439	0.9
111.00759	2.0
112.40755	1.0
113.02382	1.0
123.00776	6.4
125.02356	13.7
133.02864	1.3
137.02316	1.6
139.00250	2.3
139.03915	2.2
140.01091	1.3
145.02867	2.6
148.01608	1.0
151.00282	2.9
159.04524	1.1
160.01558	1.9
161.02341	4.6
163.03897	1.7
165.01779	2.0
168.00554	4.2
169.01361	21.4
172.01573	3.0
173.02304	2.5
175.00235	1.1
176.01057	2.5
185.02371	1.7
187.00291	2.4
187.03970	1.2
188.01158	1.8
189.01836	4.1
191.03423	1.3
195.06656	1.1
200.01071	3.7
200.04370	1.0
201.01797	2.2
202.99721	1.2
203.03354	1.8
204.00494	1.4
205.01413	1.7
211.02437	12.2
213.01657	1.3
214.99788	3.9
216.00540	6.0
217.01334	7.5
219.03079	1.5
220.58485	1.2
226.99670	1.5
228.00525	1.4
229.01353	3.4
230.99353	2.0
232.00085	4.4
233.00804	2.9
242.99287	4.4
243.99986	5.0
245.00905	8.0
247.02589	1.2
257.00821	3.0
259.99643	9.1
261.00391	12.5
270.98825	12.1
271.04602	16.5
271.99484	3.6
273.00394	3.5
275.01883	3.9
275.99075	1.9
282.99051	1.6
283.99646	2.4
285.00281	1.8
286.98373	7.7
287.98990	3.4
288.99905	4.6
298.98322	6.3
299.99124	96.2
300.99716	100.0
301.99725	26.1
312.99808	2.7
314.97745	4.2
331.06509	1.2
403.12881	1.3
445.04071	5.6
463.05222	3.2
481.17200	28.9
482.17691	1.5
535.75623	1.1
561.12451	3.5
577.12115	2.0
587.10480	1.5
589.11823	4.1
600.11420	5.2
605.10870	1.3
615.09845	2.9
633.10077	13.8
633.19867	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	633.0734
Annotation	Phyllanemblinin B
Peak:m/z	Relative Intensity
51.30202	0.7
52.82299	0.6
54.70676	0.7
55.77202	0.6
66.40321	0.8
78.23430	0.7
80.01343	0.7
85.02850	0.7
91.30888	0.7
98.19734	1.4
98.89050	0.7
117.91648	0.8
123.00787	1.8
125.02335	6.6
129.03369	0.9
129.65695	0.6
145.02863	3.0
147.04456	1.3
157.02876	1.3
159.04449	0.8
161.02362	1.9
163.00267	0.7
163.03955	1.0
169.01352	7.9
173.02335	3.6
175.03966	2.5
177.01834	0.9
185.02345	5.8
189.01849	1.6
190.02637	1.6
191.03331	1.9
201.01909	5.1
203.03439	3.0
213.01851	1.5
215.03346	0.9
217.01369	2.5
218.02251	1.0
219.02954	1.4
229.01358	10.8
230.01772	1.2
231.02940	2.5
245.00897	7.1
247.02492	2.1
248.03206	0.9
249.03915	2.4
257.00836	6.3
258.01633	2.3
259.02328	0.9
273.00476	5.7
273.03235	1.0
274.01205	3.3
275.01965	14.6
276.02356	0.9
283.99579	4.4
285.00391	0.8
290.00525	0.8
291.01678	1.1
299.99176	3.9
300.99896	100.0
302.00308	8.7
314.00760	0.8
329.03064	1.2
463.05148	10.8
464.05499	0.8
615.05627	1.0
615.77118	0.8
630.98737	0.7
633.07343	62.6
634.07794	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	633.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10175	1.0
54.59681	0.9
70.32182	3.4
70.32529	1.3
71.01263	1.6
88.87561	1.0
95.01255	2.6
98.19905	1.1
117.03353	1.2
119.04895	1.5
123.00755	3.4
125.02334	5.7
127.78468	0.9
129.03336	1.4
133.02814	1.2
141.88667	0.9
143.04910	1.0
145.02840	5.3
147.04396	2.7
148.76372	0.9
149.78752	0.9
157.02853	1.5
159.04474	1.9
161.02260	2.8
163.03926	2.2
165.01884	1.1
165.07272	0.9
169.01341	2.1
170.73520	1.0
173.02350	7.7
174.03210	1.2
175.03850	3.3
185.02371	9.5
187.03932	1.2
189.01825	4.6
190.02530	2.0
191.03452	3.1
201.01880	8.1
203.03423	6.6
213.01736	2.6
217.01323	4.3
218.02174	1.1
219.02931	1.7
226.99922	1.5
228.00565	1.2
229.01407	18.8
230.02211	1.4
231.02925	3.4
240.00639	1.1
243.99971	1.3
245.00870	12.0
247.02394	1.4
249.03926	1.5
257.00882	13.4
258.01645	3.3
273.00366	5.4
274.01144	3.2
275.01962	13.3
276.02487	1.4
283.99646	7.2
299.99222	6.6
300.99896	100.0
302.00241	8.6
419.06274	1.5
463.05240	6.3
584.44629	1.1
633.07312	49.6
634.07666	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	633.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
62.74180	0.4
68.10264	0.4
69.60664	0.8
69.61079	1.9
71.01270	0.4
85.02830	0.4
93.03291	0.5
95.01258	1.0
97.02811	0.4
100.50964	0.4
123.00778	2.1
125.02334	5.3
127.02811	0.4
127.43006	0.5
129.03374	0.6
133.02892	0.8
137.89818	0.4
143.96379	0.4
145.02866	1.9
147.04407	1.1
150.39061	0.5
151.04071	0.5
157.02873	0.9
159.04420	0.7
161.02318	0.7
163.03908	1.2
169.01344	4.3
173.02365	2.4
175.03954	1.4
177.01849	0.5
185.02373	2.7
187.03963	0.6
189.01855	1.6
190.02675	0.8
191.03349	0.7
201.01849	4.0
203.03433	3.0
213.01872	0.8
217.01364	2.6
218.02098	0.6
219.02869	0.6
226.99783	0.5
229.01372	7.4
230.01891	0.7
231.02968	3.0
243.02847	0.6
245.00880	6.4
247.02464	2.0
248.03244	0.8
249.04080	2.0
257.00854	5.9
258.01605	2.2
259.02576	0.7
271.02386	0.6
273.00424	6.3
273.03781	0.7
274.01169	3.7
275.01974	19.0
276.02319	1.4
283.99710	2.8
287.02026	0.9
288.02863	0.6
290.00519	0.7
291.01547	0.6
299.99170	3.1
300.02139	0.4
300.99896	100.0
302.00235	6.9
303.00833	0.6
314.00458	0.9
327.01163	0.5
329.03064	0.8
399.97293	0.4
419.06024	0.5
437.07098	0.5
463.05252	4.3
464.05701	0.7
514.99469	0.5
633.07324	25.1
634.07684	3.8
642.39490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.0731
Annotation	Phyllanemblinin B
Peak:m/z	Relative Intensity
58.81684	0.4
60.34056	0.5
61.99936	0.5
63.28201	0.5
66.49110	0.4
80.99686	0.5
85.02843	0.5
92.85979	0.5
95.01275	0.7
114.09501	0.5
123.00761	2.0
125.02336	2.3
145.02852	1.0
147.04373	0.9
157.02863	0.7
159.04410	0.8
161.02415	0.7
162.78568	0.6
163.03955	0.8
163.22609	0.5
166.99728	0.6
169.01373	2.0
173.02332	1.5
175.03960	1.5
177.01735	0.5
185.02354	1.8
186.45575	0.5
189.01860	1.8
190.02753	0.7
191.03421	1.3
201.01878	3.0
202.02449	0.6
203.03406	2.0
205.01440	0.7
213.01755	0.7
217.01392	2.0
218.01865	0.5
219.02975	0.5
229.01344	4.5
229.81232	0.7
230.02074	0.8
231.02960	2.1
243.02832	0.8
244.00215	0.6
245.00870	4.6
246.01329	0.5
247.02477	2.0
248.03177	0.8
249.03996	2.0
257.00830	4.0
258.01456	1.3
273.00446	6.0
274.01163	3.6
275.01971	19.1
276.02283	1.4
283.99634	2.4
287.01926	1.1
288.02606	0.7
299.99130	2.5
300.99896	100.0
302.00226	8.3
313.05426	0.6
314.00543	0.8
329.03000	1.5
419.06409	1.8
463.05283	9.6
464.05914	0.9
465.06400	1.0
522.40582	0.6
633.07343	75.9
634.07599	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	632.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02842	6.8
59.01244	3.7
61.98699	2.3
71.01247	4.3
71.57500	0.7
71.57959	1.1
72.00775	0.9
73.02811	0.9
74.02345	13.1
81.04430	1.1
81.16803	0.8
82.02848	1.5
83.01227	1.1
83.04904	1.1
86.02359	3.0
86.98973	1.5
87.00729	1.5
87.05521	3.0
88.31104	0.8
88.98673	1.2
90.00064	1.5
95.01266	1.5
96.95882	3.1
97.03938	2.2
99.05529	10.8
101.02322	1.2
101.05923	0.8
101.07092	1.8
102.05484	1.1
107.01257	1.6
109.03960	1.5
111.05532	1.2
113.02336	1.5
115.00248	0.9
116.01667	1.4
116.92709	1.0
122.39640	1.0
123.00773	3.1
123.05513	1.2
125.02335	8.3
125.03331	1.5
127.05009	1.7
128.03430	30.4
135.04523	0.8
135.05548	3.7
135.07884	0.9
139.00217	0.9
139.03889	1.2
140.01012	1.1
141.06602	2.6
143.04526	45.0
145.06055	1.9
146.04491	4.0
151.00302	1.7
153.06599	2.7
155.07063	1.6
160.00645	11.2
160.03920	4.5
161.02396	0.8
161.04399	1.5
166.09796	1.8
167.04495	4.0
167.08170	1.2
168.00531	1.5
169.01334	9.6
170.01691	1.2
175.02350	1.1
177.03325	3.1
179.04555	8.2
181.06209	1.1
185.05579	1.4
185.11713	2.1
191.03368	1.2
191.33202	0.9
192.07750	1.0
197.05647	1.3
209.11664	2.0
210.08759	8.1
211.13379	1.3
242.07729	1.2
254.07768	11.4
256.90060	0.8
271.04739	1.4
272.08871	20.2
275.01901	1.3
285.04089	1.4
288.06543	7.1
300.02618	1.9
300.99915	8.9
301.03165	1.5
306.07666	100.0
307.08047	5.3
365.61234	1.0
396.24829	0.9
516.85266	1.0
632.33661	3.4
633.07434	2.6
633.30273	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	631.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81113	0.8
55.01765	2.4
56.18902	0.9
57.03329	4.6
58.00464	3.9
59.01252	65.3
60.99178	2.1
61.98703	2.6
65.00185	1.0
65.03831	2.0
69.03329	3.4
71.01256	65.0
71.22272	2.0
72.01595	1.2
72.99186	5.6
73.02825	5.5
75.00761	1.9
81.03338	1.4
83.01270	2.8
83.04906	4.2
85.02830	16.1
87.00748	4.6
88.28819	0.8
88.98685	1.5
89.02320	53.7
90.02666	1.1
91.05418	1.4
93.03374	1.9
93.06976	4.7
95.01253	8.8
95.04903	4.6
96.95891	9.7
96.96830	1.4
97.02828	2.2
99.00758	2.8
101.02327	31.3
105.06995	0.9
107.01238	5.0
107.04907	1.8
109.02837	1.4
109.06471	7.1
110.48956	1.0
111.00755	3.7
111.08040	9.6
113.02336	44.6
116.92782	1.1
117.03388	1.7
119.03400	28.5
119.04813	1.9
121.02866	1.9
121.06507	1.8
123.00787	8.0
124.01558	3.1
125.02339	21.0
125.05974	3.4
131.03391	3.3
133.06497	2.6
134.03691	1.5
135.04434	6.4
137.02367	2.6
137.05971	5.5
139.00237	3.3
139.03922	20.1
139.07512	5.0
140.01067	2.3
140.04324	1.2
141.01811	1.6
143.03423	6.7
143.04951	1.4
145.02911	2.4
149.04495	1.6
150.03180	0.9
151.00287	6.3
151.03978	1.1
151.07642	1.6
155.07048	100.0
156.07408	3.5
159.03040	1.2
160.01695	0.9
161.02411	2.4
161.04485	11.4
161.06003	4.2
163.00238	1.5
163.03955	1.5
165.01869	1.2
166.99814	3.4
168.00558	2.6
169.01341	28.7
170.01831	0.9
173.02435	1.3
173.05908	1.2
176.03476	2.7
176.23209	0.9
177.01933	1.5
178.99774	1.0
179.03445	3.2
179.05550	17.4
179.06975	1.4
185.02432	1.9
186.75868	1.0
189.01833	1.9
191.03383	1.0
193.01462	1.2
197.08101	6.2
201.01917	2.5
209.08151	2.1
211.02338	1.5
213.05458	1.2
216.00540	1.4
217.01422	2.1
219.02962	1.0
227.03520	1.8
229.01379	3.3
242.99382	1.1
243.02963	1.5
243.99954	1.2
245.00830	2.3
255.02991	3.2
256.03345	1.6
257.00958	2.8
261.00491	1.6
270.98907	2.2
271.02496	4.9
273.00452	3.2
274.01248	1.6
275.01834	1.6
283.02213	1.1
283.99670	2.2
284.03293	1.4
285.03973	5.4
298.01184	1.6
298.98434	2.9
299.01816	1.7
299.99130	31.2
300.02701	6.8
300.99921	34.9
301.03406	4.9
302.00217	2.8
302.03613	2.1
303.04462	1.5
307.08163	3.0
309.04080	1.8
311.02045	1.2
312.99969	1.2
313.05527	1.3
313.16650	1.6
331.07932	1.2
338.04395	2.9
345.31543	1.1
424.35956	1.2
443.02701	1.3
451.12363	3.3
461.03888	1.6
475.21768	12.4
476.21747	1.2
479.15692	2.8
493.22928	17.4
494.23370	2.6
587.17456	8.0
588.18231	1.4
631.16675	27.2
631.33673	14.4
632.17096	4.7
632.33899	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	631.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94892	0.1
71.89317	0.2
85.25320	0.2
123.00780	0.2
125.02339	0.2
132.02061	0.4
144.02069	0.3
160.01598	0.7
163.08203	0.2
166.99828	0.1
169.01321	0.5
172.01595	0.7
176.01114	0.2
188.01036	0.6
200.01089	1.1
216.00635	2.3
226.99759	0.4
228.00601	0.4
230.28946	0.2
242.99368	1.5
244.00084	1.7
270.98819	0.7
271.01865	0.2
271.99414	0.3
282.98801	0.3
298.98386	0.9
299.99106	100.0
300.99518	8.3
302.00067	0.2
358.54373	0.1
456.45309	0.2
631.16693	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2395
Annotation	C18154
Peak:m/z	Relative Intensity
54.17398	1.1
54.21827	1.0
57.37003	1.0
59.01239	3.4
61.25913	1.1
61.98676	1.7
67.01775	2.0
71.01248	3.2
73.02819	1.2
83.01267	2.8
87.00740	1.2
95.01264	4.8
96.95860	2.1
97.02816	2.5
99.00758	1.4
107.01257	4.1
109.89969	1.1
111.00790	6.8
123.00770	23.5
124.01578	9.7
125.02339	45.4
127.00249	3.2
136.98701	6.9
139.00278	12.2
140.01044	15.1
141.01768	1.7
151.00288	1.8
154.99750	1.6
155.10567	1.0
161.02327	1.9
166.99759	9.1
168.00560	27.5
169.01340	49.3
169.02788	2.6
169.12170	1.7
170.01706	1.6
171.10249	1.9
175.03967	1.5
185.11757	2.5
197.11668	1.5
199.09647	3.1
200.10037	1.3
206.02191	1.3
209.11794	2.2
211.13353	4.4
212.13594	1.8
247.73872	1.0
251.09169	2.3
273.11401	1.7
291.58575	1.3
299.99237	1.3
300.99908	1.5
309.20557	1.3
327.21994	2.1
335.11246	6.9
376.21146	1.2
399.21915	2.2
417.22418	1.5
443.20706	2.2
461.21735	6.5
462.22525	2.8
463.23221	2.0
479.22900	36.6
480.23297	3.5
631.23914	100.0
632.24146	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	631.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.2
61.20399	0.1
71.01243	0.2
75.60894	0.1
80.49879	0.1
101.60172	0.1
107.01191	0.1
111.00776	0.2
123.00757	0.3
123.01697	0.1
125.02327	0.5
132.02065	0.4
144.02037	0.2
147.35637	0.1
148.01639	0.2
151.00230	0.2
160.01576	1.0
165.05418	0.2
166.99777	0.2
169.01384	0.8
172.01569	0.9
176.01070	0.3
187.00232	0.2
188.01129	0.7
200.01096	1.8
214.99899	0.3
216.00574	2.4
217.01060	0.2
226.99838	0.3
228.00569	0.2
230.99387	0.2
242.99332	1.3
244.00070	1.7
270.98849	1.0
271.99570	0.5
275.01865	0.2
282.98853	0.3
283.99692	0.1
287.01822	0.2
298.98364	0.9
299.99109	100.0
300.99536	9.4
301.02417	0.2
302.00150	0.2
348.67612	0.1
367.14099	0.1
503.93130	0.1
560.52588	0.1
631.16864	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	1.7
60.04151	1.2
60.99178	1.5
63.02277	1.7
63.16026	1.3
65.00186	4.9
67.01758	1.9
67.38062	1.3
71.01243	3.3
76.30074	1.3
83.01268	3.2
88.98682	3.6
95.01270	3.5
96.99222	1.8
107.01273	10.1
109.02846	3.6
109.99967	12.2
111.00771	23.1
119.01247	1.7
123.00761	11.8
124.01590	3.3
125.02335	30.9
126.02678	2.3
130.72154	1.5
136.98726	3.5
137.99490	8.6
138.99234	2.9
139.00269	37.5
140.00690	1.6
141.01788	2.0
145.02811	1.6
149.02263	2.0
151.00272	22.2
157.88757	2.1
161.02330	1.6
163.00249	4.3
164.00987	2.5
164.98232	2.1
165.01895	1.7
165.99011	22.0
166.99771	30.2
168.00514	2.4
169.01346	33.3
169.04912	1.3
169.88788	1.4
175.02338	1.8
177.01801	1.9
178.99782	14.8
183.04468	2.1
185.00830	4.2
187.03868	2.2
189.01886	3.0
193.40410	1.4
193.98462	1.5
194.99295	2.0
198.03151	1.5
199.03899	4.5
201.01891	5.4
203.03484	2.4
211.02368	4.5
214.02515	1.8
215.03474	2.3
226.02596	1.9
227.03526	8.7
229.01418	1.6
231.02975	3.1
233.00981	1.7
242.02124	4.0
243.02899	11.8
255.02962	19.3
270.01624	4.1
271.02390	68.1
271.04596	6.2
272.03055	10.2
273.04086	3.9
283.02304	2.1
287.01956	19.2
288.02457	3.6
298.98663	2.8
299.01984	40.3
300.02716	44.1
300.99860	4.7
301.03433	28.1
302.03802	2.5
313.05713	9.2
315.01373	1.8
316.02219	92.8
317.02960	51.6
318.03384	5.1
331.06815	2.7
463.08838	60.2
464.09055	7.5
479.08322	56.8
480.08463	5.9
541.22955	7.9
587.10248	4.0
601.15906	2.8
613.07574	7.0
631.09381	100.0
632.09668	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	631.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77454	1.1
59.01242	3.9
60.89819	1.1
65.00190	4.3
67.01780	1.8
68.60349	1.2
71.00462	2.5
71.00823	1.8
71.01261	4.7
83.01257	3.1
87.00773	1.3
89.02308	1.2
95.01275	2.7
98.20459	1.2
107.01264	11.3
107.93623	1.2
109.02833	4.3
109.99965	10.1
111.00775	18.2
120.34801	1.0
121.02901	1.8
123.00775	11.5
123.04388	1.3
125.02335	25.1
128.32503	1.2
136.98669	2.7
137.02351	2.3
137.99448	3.5
138.99240	2.1
139.00270	30.3
139.03848	1.6
140.00983	1.2
148.01524	1.2
149.02336	2.3
151.00281	19.2
152.00972	3.1
161.02428	1.3
163.00249	3.9
164.01038	2.4
164.98094	1.4
165.01768	1.6
165.98997	15.2
166.99780	33.6
168.00435	1.9
169.01347	31.0
170.01672	1.6
175.00443	1.3
175.02339	1.3
175.03925	1.3
176.01140	1.2
178.99771	14.8
183.04518	1.6
185.00845	4.3
190.99739	1.6
193.01318	1.8
194.99355	3.2
198.03084	1.8
199.03961	3.9
201.01816	3.8
203.03479	2.3
208.00078	1.3
211.02403	4.0
214.02551	1.4
215.03503	2.6
216.04111	1.4
226.02710	1.7
227.03442	5.9
229.01471	1.6
231.03027	2.4
242.02116	2.3
243.02956	11.0
244.03636	3.2
255.02988	18.7
256.03372	2.5
259.02521	4.5
270.01700	4.4
271.02396	56.2
272.02808	9.1
273.03979	2.7
287.01978	17.8
288.02426	3.4
299.01971	43.7
300.02686	41.6
300.99985	6.4
301.03461	22.0
302.00266	2.2
302.03619	1.9
307.04562	1.4
313.05685	8.6
315.01434	3.1
316.02225	72.9
317.02963	45.2
318.03381	3.2
331.06454	2.0
393.29126	1.1
463.08856	74.2
464.09250	8.5
479.08353	64.3
480.08725	7.9
541.22833	2.1
587.10095	2.7
605.79010	1.4
613.08160	5.6
631.09369	100.0
632.09656	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	631.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89578	1.5
59.01257	3.3
63.02273	3.4
65.00198	9.8
67.01770	2.4
68.99702	2.0
69.45054	15.1
71.01253	3.9
83.01242	8.1
85.02819	1.7
93.03339	9.6
95.01283	5.7
96.58701	1.5
96.95885	3.6
97.02838	2.9
98.19753	1.8
99.00769	2.0
101.02322	2.3
107.01278	16.8
109.02846	6.6
111.00766	12.4
117.03363	2.7
121.02833	3.9
123.00752	16.2
123.04424	3.0
124.01611	1.7
125.02345	22.7
133.02875	2.8
135.04434	1.9
135.11790	1.7
136.98833	1.9
137.02345	22.6
139.00285	16.6
141.01855	3.8
145.02882	4.9
146.03635	3.1
149.02353	4.4
151.00273	48.1
153.01874	2.7
154.99864	2.7
155.04933	2.8
159.04492	3.0
161.02388	3.7
163.00291	5.3
164.01088	4.4
165.01869	10.2
165.05470	1.8
166.99809	16.6
168.00594	5.0
169.01352	38.5
171.04430	3.3
173.02367	2.4
175.03876	3.6
177.01932	1.9
178.99782	58.4
179.07033	3.0
182.99277	2.2
183.04408	2.5
187.03972	4.3
189.01811	2.1
189.05536	2.4
190.99852	2.9
191.03452	2.9
192.00609	1.8
193.01337	14.6
194.99290	4.4
195.06541	3.3
199.03987	4.5
201.01776	2.1
201.05562	2.2
203.03455	3.3
205.01370	5.1
206.99361	2.6
214.99873	1.6
215.03421	4.6
217.01337	4.4
219.03043	2.6
222.98721	1.8
225.07655	2.1
227.03384	8.7
228.03931	1.8
229.01395	1.6
229.04970	3.3
231.02913	2.8
233.00899	1.9
243.02985	7.2
245.00899	2.0
245.04579	4.6
255.02977	13.0
256.03699	7.4
257.04678	3.4
263.01923	2.5
268.27408	1.9
270.99542	2.8
271.02505	18.4
272.02939	2.0
273.01129	2.9
273.04092	11.9
275.01965	2.8
283.02515	6.2
284.03058	4.1
285.04050	25.5
286.04449	2.8
289.03473	4.6
299.01950	35.2
299.99136	4.2
300.02731	8.6
300.99921	14.7
301.03540	19.0
302.04019	2.0
313.05652	5.5
314.00192	1.9
316.02310	5.8
317.03006	100.0
318.03314	7.3
320.96466	1.8
331.06693	4.8
447.09479	4.5
451.10260	4.5
463.09024	9.6
479.08182	6.3
631.08649	3.8
631.18341	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	631.094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83817	3.3
54.94193	3.4
59.01252	10.9
63.02247	5.5
65.00198	12.0
69.41901	28.8
71.01242	6.5
75.00774	3.1
83.01247	7.5
84.54858	4.1
89.02313	3.6
93.03336	6.0
95.01278	6.5
101.02378	4.1
107.01267	21.8
109.99992	4.3
111.00755	24.0
117.03371	4.8
123.00753	16.4
123.04404	3.2
125.02336	55.4
133.02953	3.3
136.98726	5.0
137.02303	4.7
137.99416	4.9
139.00279	25.3
140.01009	7.2
151.00256	35.3
152.00998	5.2
153.01732	4.2
154.99771	6.2
155.04883	3.7
159.04474	4.6
163.00272	5.2
165.01857	6.6
166.99791	17.6
168.00522	10.0
169.01341	85.0
170.01625	3.4
178.99792	27.7
187.03917	5.6
193.59628	3.2
199.03934	3.7
201.01839	10.0
203.03477	7.5
206.99260	6.5
208.00011	6.6
209.00562	4.1
211.02448	12.3
227.03424	12.2
228.49866	3.3
231.02963	8.9
242.02193	3.6
243.02922	12.0
255.02980	24.2
259.02429	6.1
271.02289	65.0
271.04694	16.0
272.02740	6.8
283.02472	5.9
284.03183	13.6
285.04123	19.6
287.01929	14.7
298.98804	3.4
299.01941	100.0
300.02524	20.3
300.99820	9.3
301.03406	10.5
307.08340	21.7
313.05743	19.8
316.02234	41.6
317.02982	17.4
354.42010	3.5
371.06012	6.2
423.91205	3.3
452.10388	3.8
463.08926	20.8
464.09131	4.6
479.08221	26.8
480.08524	6.2
519.07690	6.1
524.15588	4.0
613.08069	17.9
631.09052	40.7
631.17871	6.2
632.09576	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	631.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02276	1.0
64.64594	0.5
65.00195	1.9
67.42830	0.6
69.52361	4.9
78.30370	0.6
83.01256	0.9
83.66326	0.7
87.39360	0.6
88.67731	0.6
88.98317	0.5
90.16018	0.6
93.03345	0.6
95.01259	1.3
98.20497	1.3
107.01288	3.5
109.02848	2.0
109.99955	1.1
111.00773	4.1
117.73795	0.6
121.02850	3.0
122.78342	0.6
123.00764	2.2
124.72156	0.6
125.02319	3.5
136.98700	1.3
137.02345	4.0
139.00262	11.1
139.03873	0.8
143.04855	0.7
149.02341	1.6
151.00270	12.2
151.03838	0.7
152.00681	0.7
163.00278	1.8
164.01051	1.9
164.98189	0.7
165.01799	0.8
165.98985	1.8
166.99777	11.5
168.00475	0.8
169.01340	3.9
170.92583	0.6
175.03880	0.7
178.99757	13.3
183.04428	1.1
185.00819	0.7
189.05376	0.7
190.99826	1.1
193.01366	2.9
193.98480	0.7
194.99315	3.3
199.03951	2.2
201.00134	0.7
201.01843	0.8
203.03539	1.2
208.00079	2.0
217.05009	1.3
227.03523	2.7
243.03004	2.8
245.04483	2.7
255.03046	3.4
271.02466	9.7
272.02902	0.9
273.04062	5.5
289.03098	0.6
299.01947	13.7
300.02765	11.0
301.00159	1.3
301.03479	16.9
301.06949	1.1
302.03806	1.5
312.93948	0.6
313.05615	1.1
316.02231	4.0
317.03000	100.0
318.03384	7.1
329.04654	0.6
345.24216	0.7
385.17310	0.6
463.08832	13.8
464.08746	1.3
466.23010	0.7
479.08401	3.8
631.10205	3.9
631.19897	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.9
65.00198	2.1
67.01764	2.1
69.03325	4.1
69.75846	10.2
71.01232	3.5
81.03337	2.2
81.57369	1.5
81.79021	1.4
87.00730	1.5
91.01819	1.4
95.01266	12.7
97.02828	4.4
105.03379	1.8
107.01263	2.3
111.00835	1.6
113.02277	1.5
117.03364	6.9
119.04890	1.8
123.00781	24.2
124.01509	2.1
125.02341	100.0
126.02727	3.6
131.01331	2.6
132.02083	3.5
133.02876	9.1
135.04347	2.2
137.02370	2.3
139.00285	2.4
143.01288	2.4
145.02840	22.2
147.00797	3.2
147.04427	4.3
148.01524	3.0
157.02872	5.1
159.00792	3.0
159.04474	2.5
160.01552	4.3
161.02356	23.9
163.00269	6.6
163.03941	8.8
164.01057	1.6
165.01915	2.2
166.99802	18.0
169.01346	93.2
170.01707	4.5
171.00789	9.7
171.04370	2.1
172.01581	5.6
173.02345	15.8
174.02950	2.5
175.03929	5.3
176.01064	2.9
177.01834	4.5
179.03471	3.5
185.02359	6.8
187.00348	8.4
187.03841	1.9
188.01102	4.5
189.01886	26.4
190.02484	3.5
190.99751	4.1
191.03401	6.1
199.00327	5.9
200.01064	5.6
201.01862	22.3
202.02403	3.0
203.03444	4.4
205.01363	3.7
207.02888	1.6
211.04135	1.6
214.99809	9.6
216.00531	7.9
217.01382	31.4
226.99849	10.8
228.00499	4.8
229.01418	17.2
230.02071	3.1
231.02986	3.6
232.00053	3.6
233.00879	4.2
235.02467	2.0
242.02223	1.7
242.99391	13.7
244.00107	5.9
245.00894	33.4
247.02455	11.1
254.99432	4.6
255.02843	2.0
257.00845	9.0
259.99466	3.5
261.00433	6.2
263.02255	1.9
263.21237	1.7
269.00833	1.8
270.98853	26.7
271.99451	4.5
273.00415	44.7
274.00940	3.7
275.01941	9.2
283.99545	3.8
285.00400	3.6
288.99884	5.6
291.01624	2.0
298.98376	38.1
299.99149	22.6
300.99915	81.0
302.00259	4.5
312.99918	2.6
313.05649	2.4
315.01389	2.7
316.99341	4.5
343.00931	3.4
377.05093	4.8
389.05170	5.1
405.04532	12.4
417.04651	8.0
433.04193	24.0
443.02505	12.7
445.04245	27.1
446.04312	2.6
461.03668	36.3
462.04193	4.3
463.05240	18.8
549.60217	1.8
569.05408	4.9
599.99750	1.6
603.06415	2.0
613.04407	8.5
614.05237	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.0577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46484	1.4
62.57738	1.5
69.03344	4.3
71.01241	1.9
71.14886	4.1
79.01761	1.6
81.03326	1.7
95.01266	11.9
96.24937	1.3
97.02866	3.7
107.01270	2.0
115.21580	1.4
117.03339	5.4
123.00768	25.9
124.01524	1.8
125.02337	80.6
126.02679	2.0
132.02065	1.7
133.02859	4.0
137.02409	2.7
139.00217	2.6
145.02850	13.5
147.04478	3.5
157.02882	2.1
159.00803	2.5
159.04430	1.8
160.01549	1.6
161.02370	18.3
163.00279	5.0
163.03917	6.0
166.21655	1.5
166.99777	19.5
169.01344	100.0
170.01723	3.2
171.00789	5.2
172.01498	3.3
173.02367	12.3
175.03957	4.9
177.01817	3.5
179.03288	2.5
185.02348	5.6
187.00304	4.7
188.01111	2.6
189.01869	20.0
190.02550	2.2
191.03407	5.1
199.00327	6.4
199.04015	2.2
200.01131	5.5
201.01862	17.1
202.02644	1.8
203.03479	5.5
210.38222	1.6
211.03955	1.7
214.99783	7.8
215.03497	2.6
216.00641	3.9
217.01340	24.2
218.01978	2.6
219.02904	4.4
226.99826	8.0
227.03441	2.7
228.00536	2.2
229.01404	15.4
230.02167	2.6
230.99332	2.4
231.02919	5.7
232.00163	2.5
233.00862	5.2
242.99336	11.8
244.00044	4.7
245.00897	35.3
246.01314	3.1
247.02519	12.6
248.03041	2.3
254.99377	4.5
255.02966	2.5
257.01022	7.8
257.03989	1.6
259.02341	2.3
261.00351	5.2
267.02988	1.8
270.98825	27.7
271.99451	5.2
273.00400	54.7
274.00925	5.5
275.01935	13.0
283.99866	3.2
285.00372	3.1
288.99933	3.2
291.01514	2.7
298.98343	41.7
299.01599	1.5
299.99036	17.9
300.99890	80.3
302.00287	6.8
313.00024	3.4
315.01703	3.8
316.99527	4.5
343.00970	1.9
377.05173	5.3
389.04996	5.2
405.04568	15.4
406.04971	1.7
417.04749	8.9
433.04144	25.2
434.04385	3.7
443.02451	20.3
444.02930	3.6
445.04092	34.2
446.04367	3.1
461.03607	39.2
462.03885	4.3
463.05209	22.9
481.33188	1.7
559.07080	2.1
569.05505	5.3
602.00690	1.9
603.06128	3.8
613.05042	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	629.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.6
59.01254	2.2
65.03827	3.6
69.24159	14.4
71.01257	3.1
72.01275	1.3
78.95770	2.7
83.04886	1.9
91.05360	1.4
93.06982	11.9
96.95905	1.7
111.08023	2.4
121.02837	8.3
121.10117	82.5
122.10444	3.7
125.02319	1.3
137.05994	29.0
141.86357	1.5
145.02669	1.3
147.04205	3.1
147.07971	1.4
155.07048	34.7
156.07355	1.5
163.07541	5.9
165.05254	36.8
165.09120	100.0
166.09447	5.5
177.05247	41.8
178.05600	1.8
209.04237	35.8
210.04561	2.5
215.03214	12.0
221.04250	17.2
231.26949	1.3
244.12781	1.3
259.09473	5.8
279.13501	1.7
281.15176	1.3
300.99860	2.0
311.12640	2.8
325.14185	44.1
326.14557	5.7
406.71667	1.3
491.23929	3.9
496.87509	1.5
521.01215	1.6
622.00714	1.3
629.30402	12.4
630.31140	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	629.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.7
65.03820	1.2
69.03278	0.4
69.51786	3.4
72.87717	0.3
77.79164	0.4
78.95793	0.8
85.67384	0.3
93.06979	4.6
100.83701	0.4
121.10114	27.5
122.10419	1.1
137.05983	14.6
137.09641	0.5
138.06317	0.8
147.08017	0.6
155.07057	6.9
163.07555	0.6
165.05244	1.6
165.09120	100.0
166.09445	5.1
177.05287	2.7
208.80870	0.5
209.04185	1.1
215.03258	0.5
221.04266	1.5
259.09573	0.5
269.95901	0.4
325.14151	5.4
353.17395	0.5
491.24088	3.9
492.24622	0.5
581.85376	0.4
629.30945	8.1
629.40765	0.6
630.31183	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	629.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	3.3
57.03335	4.9
58.00468	3.6
59.01253	49.8
61.98691	1.4
65.03854	1.4
67.01775	1.0
69.03328	4.2
69.37715	8.3
71.01259	52.1
72.99182	4.0
73.02836	8.7
75.00764	1.8
81.03322	1.2
83.01252	6.4
83.04912	2.6
84.02031	1.0
85.02828	19.7
87.00755	3.4
88.98663	1.2
89.02323	35.1
93.03335	0.9
93.06967	3.7
95.01249	5.8
96.95873	3.0
97.02801	1.2
99.00768	2.9
101.02326	33.4
107.01321	1.2
107.04935	1.4
109.06473	7.1
111.00767	2.1
111.08055	10.0
113.02335	27.3
117.03355	1.4
119.03396	15.9
123.00771	1.7
125.02332	9.2
125.05960	3.5
131.03384	1.9
137.05959	4.1
139.00281	1.4
139.03844	1.1
139.07607	2.1
143.03389	3.6
143.04868	1.1
150.03128	1.2
151.00313	1.5
151.07629	1.3
155.07053	100.0
156.07413	3.6
161.04466	5.6
161.05962	2.4
167.10718	2.7
169.01363	7.1
179.05510	4.3
179.06961	1.1
185.72906	0.9
197.08110	2.3
209.11783	1.0
211.02339	1.1
214.99701	1.0
255.02980	1.9
275.01611	1.2
284.03226	3.0
285.04163	2.1
298.98648	1.1
299.02026	1.0
299.99139	4.9
300.99823	8.6
301.03195	1.8
302.00336	1.0
311.15015	9.8
312.15375	1.4
313.05695	2.6
329.16049	63.8
330.16333	6.1
473.20193	3.1
491.21454	5.3
492.09595	0.9
492.21429	1.3
567.11548	3.0
629.15027	4.5
629.26959	3.8
630.15094	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	629.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	62.9
60.01574	0.9
64.44270	0.7
67.01738	0.8
69.34863	0.5
69.67171	2.9
69.67577	1.4
71.01257	2.5
74.98973	0.6
83.01268	0.8
85.02834	0.7
89.02305	2.1
93.03351	1.3
95.01284	1.0
96.95901	1.2
101.02336	2.0
107.01275	0.8
109.02840	0.8
111.00819	0.8
113.02360	0.8
121.02822	1.7
122.03640	5.3
123.00769	2.6
125.02357	4.4
133.02841	0.9
137.02301	0.7
139.00255	1.4
144.71384	0.6
149.02357	9.3
150.03134	44.2
151.00264	1.0
151.03575	1.8
161.02399	0.9
163.00340	1.1
164.04704	2.3
165.05492	67.8
166.05862	3.6
166.99817	1.0
169.01335	7.2
180.04260	4.9
181.04964	2.1
195.06569	100.0
196.06992	5.9
211.09676	3.1
255.02959	1.1
270.99017	0.8
271.02496	1.2
273.00415	0.7
275.02005	1.2
279.80273	0.6
297.00369	0.7
298.98413	0.8
299.01947	0.8
299.99060	2.9
300.02597	1.3
300.99918	5.3
301.03235	1.1
302.00165	0.9
315.01514	2.6
344.12943	0.8
359.14880	4.8
362.99319	0.7
407.17105	18.8
408.17487	2.9
445.07971	1.1
477.06900	1.1
602.23047	0.6
629.08624	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	629.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19548	1.0
59.01252	100.0
67.01798	1.3
69.03343	1.8
71.01257	3.6
71.57098	1.5
75.00745	1.8
75.76498	1.1
80.44060	1.1
84.28173	1.1
87.00764	3.4
89.02321	1.7
93.03328	1.3
95.01243	2.2
96.95883	1.9
101.02341	1.6
107.01262	4.7
109.02823	1.3
111.00778	1.6
113.02296	1.0
115.00272	3.4
119.01260	1.6
121.02782	1.3
123.00779	5.4
125.02339	23.8
133.02846	1.2
135.00713	1.6
135.02869	2.4
137.02365	2.8
139.00276	1.9
147.00735	1.2
151.00293	1.9
154.99724	1.6
159.04387	1.3
163.00337	3.1
164.01076	2.9
165.01859	18.7
166.06271	3.7
166.99754	4.4
168.00525	3.0
169.01335	33.8
175.02429	7.5
177.01836	1.9
179.03418	13.0
180.04216	10.4
181.08577	2.8
185.02348	1.4
189.10834	1.1
194.05782	3.8
195.06564	17.6
201.01849	2.1
203.03378	1.7
210.05339	1.9
217.01395	2.6
225.07651	21.8
229.01306	2.0
244.00537	1.4
245.00821	2.4
257.00888	1.8
273.00400	3.0
275.01944	4.1
283.99463	1.5
287.01981	3.5
299.99240	2.9
300.99893	23.7
301.10794	2.4
315.01437	2.6
316.02231	2.1
329.10312	19.2
340.32816	1.2
344.12665	15.7
345.13031	2.1
359.14996	68.6
360.15335	6.5
407.17081	30.8
408.17444	3.8
452.03082	1.9
465.12076	1.3
466.02612	1.3
467.03619	4.9
477.06879	1.9
589.38934	1.4
592.80212	1.3
629.07794	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17270	0.9
56.18221	0.9
56.71109	1.2
59.01253	100.0
61.28910	1.2
65.00190	2.0
67.01778	1.5
69.03353	1.4
70.19833	3.2
71.01254	4.1
72.99215	1.3
75.00748	1.4
83.01269	1.3
87.00745	7.0
89.02339	1.2
95.01261	5.0
96.95885	1.1
97.02839	2.0
99.00749	1.6
107.01267	8.1
109.02857	2.0
110.18570	1.0
111.00816	2.5
115.00243	7.9
119.01298	1.6
121.02815	2.1
123.00742	6.3
123.04401	1.1
125.02340	40.9
135.00784	1.3
135.02898	4.9
135.43802	1.0
137.02367	5.2
139.00264	2.4
143.04555	2.1
145.02859	2.3
147.04431	1.4
151.00221	1.6
160.06123	0.9
161.02354	2.5
163.00293	4.9
164.00987	1.6
165.01849	33.4
166.06322	1.9
166.99788	4.0
167.87331	1.2
168.00562	3.6
169.01347	53.2
170.01683	1.8
173.02328	1.6
175.02428	13.2
175.03833	1.9
177.01877	1.4
179.03375	7.9
180.04198	25.4
181.08575	1.4
185.02339	1.3
187.00313	1.8
189.01903	1.9
190.02512	1.5
190.99799	2.4
194.05777	2.7
194.99396	1.6
195.02869	1.6
195.06558	42.7
196.06888	1.1
201.01845	2.5
203.03438	3.1
209.00868	2.7
210.05333	5.5
214.99768	1.1
215.03445	1.0
216.00629	1.7
217.01427	2.9
225.07637	57.7
226.07999	1.9
229.01384	3.9
229.03455	1.5
231.02927	1.6
241.01280	1.5
245.00873	4.1
247.02467	2.4
249.03976	1.7
257.00943	3.1
270.98901	2.7
273.00464	2.2
275.02005	6.8
283.99561	1.5
287.01877	1.5
298.98294	3.3
299.99091	7.1
300.99893	47.4
302.00113	2.3
329.10370	3.3
331.09940	1.1
332.97052	2.3
344.12656	4.4
359.14969	14.3
360.15146	1.6
407.12180	1.9
407.17172	20.5
408.17386	2.2
452.03223	1.4
463.05365	1.7
466.02798	2.0
467.03629	9.1
468.81656	1.1
473.03638	3.5
486.02472	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2242
Annotation	CHEBI:81547
Peak:m/z	Relative Intensity
51.88111	0.8
59.01243	3.9
61.98695	2.8
64.80424	0.9
65.00191	1.5
67.01762	2.4
69.03319	1.2
71.01240	3.3
73.02837	2.0
79.01748	1.1
83.01266	1.4
83.04891	0.9
87.00766	1.5
87.69357	0.9
89.02307	2.2
95.01253	5.9
95.04868	1.0
96.95922	1.4
97.02849	2.0
99.00756	1.3
101.02328	1.6
106.63524	0.9
107.01268	7.4
109.99982	1.4
111.00765	7.8
116.92754	5.9
122.99903	1.8
123.00773	25.6
124.01560	9.5
125.02338	53.9
125.09599	1.3
126.02670	2.5
127.00256	2.3
129.18069	1.0
136.98715	5.3
137.02354	1.4
138.03088	1.9
139.00261	10.7
140.01042	14.5
141.01872	1.5
141.09073	1.1
151.00249	2.9
153.86327	1.1
154.99760	1.4
166.99765	10.7
167.99355	0.5
168.00552	28.5
169.01340	61.3
170.01672	2.0
171.10156	5.1
175.03818	1.2
177.01814	1.2
185.11768	2.2
191.03493	1.2
199.09711	12.9
206.02103	2.4
207.10127	1.6
209.11746	3.2
211.13318	16.4
219.03055	1.3
253.09213	2.1
273.11420	1.8
289.18304	1.0
299.67459	1.0
300.99869	1.7
307.19116	2.4
317.10236	1.8
325.20340	1.2
331.11829	1.6
335.11423	13.3
336.11792	1.8
346.14227	1.2
375.21677	1.3
377.67804	1.0
397.20059	1.0
415.21216	3.5
435.18579	2.0
441.18765	1.5
459.20313	6.3
460.20795	2.7
461.21686	1.9
477.21323	43.6
478.21609	6.3
517.44220	1.0
593.30121	1.5
611.21637	1.1
611.30762	1.3
629.22382	100.0
629.31580	4.5
630.13202	1.5
630.22797	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	629.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	0.4
62.95889	0.3
69.58101	3.0
71.01271	0.7
71.55284	0.4
84.23576	0.4
89.71269	0.3
96.95906	0.6
123.00756	0.5
125.02316	1.2
130.00479	0.6
146.00000	0.6
150.12395	0.3
155.06973	0.3
163.00322	0.6
168.00595	0.8
169.01302	2.1
173.99576	0.5
174.80769	0.3
185.99496	0.6
197.99467	1.9
209.11926	0.5
213.98987	0.7
226.99698	0.5
229.01312	1.0
241.56224	0.4
241.98506	1.7
254.99255	3.0
257.00848	2.4
269.98050	34.2
270.98517	3.1
271.02487	1.0
275.02008	0.6
282.98779	0.9
285.00388	17.6
286.00696	1.3
297.97543	62.4
298.97961	5.4
299.01303	0.7
299.98990	0.9
300.02686	0.6
300.99918	2.0
301.02878	0.5
312.99887	100.0
314.00290	9.8
328.02228	57.2
329.02628	5.7
614.12817	5.0
615.13013	0.7
629.15088	62.0
630.15472	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	629.115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05759	0.5
65.08788	0.6
69.33521	7.0
71.01248	1.0
98.20588	1.4
106.04157	1.6
119.04858	1.3
121.02853	0.7
123.00756	1.3
125.02331	4.8
134.03630	2.2
145.02806	1.6
147.04425	1.9
161.02298	1.2
162.03131	0.7
163.03955	1.3
169.01344	7.1
173.02361	2.4
175.03954	1.5
189.01857	3.5
190.02652	16.4
191.03445	5.6
201.01823	0.9
201.05522	0.8
203.03510	1.3
215.03453	1.7
217.01408	17.6
218.02147	15.9
218.04230	0.7
219.02856	4.3
243.02969	10.4
245.00847	2.5
246.01672	53.9
247.02455	100.0
248.02808	5.8
313.05704	2.0
391.06897	4.0
409.02322	1.7
409.07767	36.6
410.07977	2.9
465.06787	7.0
585.12469	53.7
586.12787	9.2
629.11481	6.7
630.11804	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22383	0.4
59.01255	1.0
59.20806	0.3
61.54126	0.5
69.32481	1.6
69.32906	2.1
71.01259	0.7
82.25142	0.3
82.66698	0.4
91.56462	0.4
95.01279	0.7
97.02837	0.5
101.02357	0.3
106.04123	0.8
107.01289	0.5
111.00761	0.5
115.01099	0.4
117.03396	0.5
118.49176	0.4
119.04933	1.1
121.02910	0.4
123.00745	1.2
125.02330	4.8
126.02634	0.5
131.04883	0.5
133.02875	0.7
134.03664	2.0
135.04396	0.5
139.00272	0.5
140.01102	0.4
143.22775	0.4
145.02855	1.2
147.04396	1.3
151.00316	1.0
153.76248	0.4
159.04564	0.6
161.02290	0.6
163.03918	1.1
166.99757	0.6
169.01323	5.6
169.74167	0.4
173.02296	2.4
175.03931	1.6
187.04004	0.7
189.01871	3.1
190.02649	16.8
191.03438	6.2
192.03728	0.5
193.01236	0.5
201.01871	0.6
203.03461	1.2
214.76523	0.4
215.03479	1.9
217.01381	17.2
218.02141	14.8
219.02896	4.4
243.02963	9.0
245.00836	2.5
245.04210	0.4
246.01672	52.2
247.02441	100.0
248.02802	5.9
257.00687	0.5
271.02310	0.9
278.00739	0.9
300.02682	0.8
301.00034	0.8
301.03415	1.2
313.05652	2.1
315.01727	0.5
315.05157	0.5
391.06885	3.2
409.07748	36.6
410.08130	3.2
459.09183	0.4
460.44778	0.4
465.06784	4.9
466.07306	0.6
585.12482	56.9
586.12817	8.0
629.11469	7.7
630.11981	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	5.2
59.33001	1.0
61.98696	1.4
67.50246	1.1
67.74813	1.5
68.77974	1.2
69.37878	1.1
71.01263	2.6
71.56665	1.4
71.57101	1.7
89.02340	2.3
101.02338	3.9
105.95670	1.1
113.02345	2.2
113.13592	1.1
153.12782	1.8
158.54004	1.1
169.12268	6.7
181.12224	1.7
183.13817	6.4
193.12341	1.7
197.11761	100.0
198.10449	1.1
198.12029	6.2
209.11731	1.8
211.13338	96.0
212.13651	4.4
235.08154	2.0
253.09230	9.0
343.02704	1.7
433.20663	3.3
447.22314	3.6
476.83444	1.5
609.32733	2.0
627.31805	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.8
59.01252	23.2
69.51539	4.9
71.01255	74.1
72.01582	1.4
72.99188	1.1
75.00748	100.0
76.01093	0.7
83.01234	0.5
85.02825	2.3
85.06429	0.5
85.37163	0.5
88.98690	0.8
89.02313	1.0
93.03336	0.7
98.92198	0.7
101.02333	3.6
111.04406	1.3
112.73164	0.6
113.02356	1.4
119.03426	0.6
121.39020	0.5
125.02339	2.7
129.01834	44.3
130.02217	0.9
149.02403	0.6
151.00354	0.8
161.02353	0.7
169.01331	2.9
195.06505	0.7
218.16835	0.5
219.05052	63.5
220.05403	2.5
260.26431	0.7
261.14902	0.7
293.15533	1.9
300.02679	1.4
300.99808	1.9
301.03149	1.2
311.16663	6.1
329.17557	11.7
330.17728	0.8
347.18610	11.0
348.18860	1.1
465.17508	1.6
627.23151	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	627.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17276	0.6
53.81118	0.5
55.01763	0.8
57.03314	1.0
58.00465	2.7
59.01252	100.0
60.01602	0.5
69.53162	5.0
71.01254	46.6
72.99185	4.5
73.02835	1.7
83.01274	1.8
85.02830	6.8
87.00754	7.7
88.00282	1.1
89.02319	66.6
90.02702	0.8
95.01275	4.0
97.02818	0.7
98.19779	0.7
101.02325	22.5
107.01268	1.5
109.02837	5.3
111.00777	1.0
113.02336	19.3
116.81416	0.6
119.03388	26.2
123.00835	1.1
125.02357	2.4
131.03433	3.2
143.03419	5.0
149.04448	2.1
151.00305	0.8
161.04485	5.9
165.05554	0.8
166.99760	1.0
169.01372	3.3
178.99893	0.8
179.05550	14.3
198.54233	0.6
201.01991	0.6
242.57144	0.7
243.03004	0.7
247.02142	0.7
255.02968	1.1
269.04395	0.7
271.02386	3.6
287.02118	0.8
291.13947	2.0
299.02155	1.6
300.02744	5.3
301.00089	1.3
301.03424	2.8
308.14679	0.8
309.15002	2.7
326.04480	1.4
327.16040	0.7
337.03546	0.7
387.18146	1.9
463.08878	6.4
464.09055	0.9
473.11246	0.7
489.10312	1.3
489.21429	0.8
627.14099	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31944	0.8
57.03325	0.8
58.00458	3.6
59.01252	100.0
59.81898	0.8
60.01584	0.9
63.02264	1.7
65.00184	2.0
71.01254	53.7
71.19026	0.7
72.99184	6.9
73.02814	1.5
73.44032	0.7
75.00749	42.7
80.96377	0.8
83.01250	2.1
85.02818	8.2
86.66251	1.0
87.00761	3.8
89.02319	76.1
93.03352	1.6
95.01273	4.5
96.95878	1.0
97.02853	0.9
101.02328	25.4
107.01260	7.0
109.02834	4.0
111.00752	1.4
113.02338	22.5
114.02641	0.9
117.03355	1.3
119.03391	31.0
119.04793	1.1
121.02835	3.0
122.03598	1.1
123.00774	2.5
123.04414	2.9
124.01505	0.9
125.02375	6.2
131.03387	3.5
135.00824	1.2
135.04437	3.1
137.02319	1.1
139.00204	1.0
143.03392	8.4
145.02869	5.0
149.02351	2.9
149.04433	2.6
151.00276	8.8
151.03886	1.0
153.01811	1.6
161.04488	5.3
161.05627	0.9
163.00262	3.3
164.00870	1.2
165.01822	1.1
167.03419	1.4
169.01349	9.5
170.01576	1.0
178.99745	3.2
179.03447	1.9
179.05548	19.0
185.06052	1.9
187.03915	2.3
194.00920	1.1
197.04527	2.7
209.04564	1.5
211.03943	2.6
213.05437	2.0
227.03439	6.8
229.05035	5.0
229.86084	0.9
239.05582	3.0
241.05016	2.4
243.02922	2.8
251.05750	0.9
254.02271	1.3
255.02948	18.3
256.03525	2.0
256.07324	1.1
257.04532	5.1
271.02466	13.4
272.02988	1.2
273.03970	0.9
283.02426	1.0
284.03278	8.5
285.04047	75.3
286.04379	6.0
299.01953	1.7
299.99435	1.4
300.02750	18.2
300.99896	3.7
301.03470	13.2
302.03778	1.8
307.08218	3.8
311.07797	2.6
341.08688	4.0
344.04041	3.0
369.16733	1.0
376.71741	0.9
387.18073	1.4
450.69321	0.9
463.08994	7.2
464.09152	1.2
505.09592	2.7
574.78271	0.9
597.12604	4.3
609.12390	6.6
610.12677	1.3
627.13422	6.5
628.13483	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	627.2099
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
64.36283	0.6
67.37997	0.6
70.14431	3.6
73.02800	1.6
78.95778	0.8
98.20448	0.9
110.00827	0.6
111.48547	0.6
114.29168	0.7
154.00140	0.7
158.82249	0.6
197.11697	2.1
206.79950	0.8
211.13281	1.7
385.80954	0.7
437.12357	1.0
438.13239	2.2
451.14114	2.2
452.14752	4.2
453.15005	1.5
466.16507	1.4
479.17545	0.9
481.15115	9.8
482.15506	2.5
484.14191	1.5
493.15469	1.2
495.16757	19.4
496.17068	3.9
507.20526	1.3
508.17844	4.1
509.18268	2.1
512.13617	1.1
521.14307	1.2
523.16382	1.0
526.15118	1.0
535.16382	2.6
536.17096	2.8
539.15851	1.4
540.17181	3.8
551.19409	47.8
552.19696	10.1
554.18524	1.3
555.18542	1.2
568.16089	1.1
572.15320	3.0
573.15955	1.0
586.17029	3.1
595.18329	11.8
596.18481	3.0
627.20929	100.0
628.21173	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64952	0.7
54.93781	0.8
58.65966	0.9
58.87255	0.8
59.01247	1.7
63.02281	1.0
65.00201	1.3
71.01257	2.6
83.01274	1.1
88.98692	2.4
89.02351	1.2
93.03323	1.1
98.19690	2.4
102.73676	0.8
107.01255	4.9
109.02823	2.0
121.02854	2.8
123.04469	1.6
125.02325	3.7
133.02834	3.0
134.62584	0.9
135.04398	9.9
137.02338	7.5
145.02875	1.5
149.02406	1.7
151.00287	10.1
151.03990	1.0
159.04413	1.6
161.02365	17.9
163.00281	2.9
167.04932	1.0
169.01396	4.6
178.99791	3.2
179.03418	5.5
185.06021	2.8
187.03912	2.5
189.05379	1.1
195.04575	1.1
211.03963	2.5
213.05553	1.7
214.05914	0.9
215.03484	1.3
227.03418	9.6
229.04988	7.7
230.03053	1.1
239.05566	2.4
241.04962	2.0
243.03027	5.2
255.02986	21.2
256.03430	3.1
257.04547	7.5
271.02472	24.1
272.02991	1.5
273.03925	1.3
273.27066	1.0
284.03278	12.2
285.04050	100.0
286.04425	8.3
299.02072	1.5
300.02744	36.7
301.00043	1.5
301.03433	20.0
302.03894	2.2
317.51825	0.9
323.07700	16.9
324.07996	1.6
341.08682	3.8
343.04022	0.9
346.03418	1.1
374.60623	0.9
384.05148	1.2
447.09140	3.3
463.08838	17.7
464.09171	2.2
505.09772	6.3
517.09766	2.6
597.12433	3.7
598.12579	1.4
609.12531	24.8
609.22473	1.3
610.12512	3.4
627.13434	11.1
627.26428	3.3
628.13440	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	625.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	4.7
58.00465	4.3
59.01255	17.9
61.98728	1.2
62.59905	0.9
65.00191	1.7
66.94538	0.9
69.03333	1.6
71.01257	9.6
71.58443	1.9
72.99188	1.3
73.02840	3.4
83.01269	2.9
83.04906	3.5
85.02833	3.5
87.00757	13.2
88.98686	3.5
89.02305	2.0
93.03327	1.8
95.01242	1.9
96.95881	2.5
97.06483	2.9
99.00793	1.1
100.95904	1.1
101.02341	4.6
107.01288	3.8
107.04912	7.7
108.02071	2.4
109.02882	3.0
109.15591	1.0
109.99989	2.1
111.00788	2.3
113.02343	4.4
117.03271	1.2
119.03378	1.1
119.04872	1.1
120.05704	4.0
121.02870	6.0
122.03633	4.1
123.00834	2.9
123.04437	2.8
124.01579	1.4
125.02332	8.2
133.02866	2.5
135.04443	4.6
135.08089	1.4
136.05000	0.9
137.02333	1.3
137.05949	1.3
137.22836	1.0
139.00262	3.8
141.05309	1.2
143.03484	1.0
143.08533	1.1
144.09766	1.0
145.02835	2.8
145.10159	1.4
146.07266	1.5
147.04408	1.2
149.02344	13.9
150.03136	94.9
151.00281	7.2
151.03775	5.4
152.04706	3.0
157.06520	1.8
159.08093	1.4
159.11702	1.8
161.02338	4.7
161.04469	3.3
161.09631	25.9
161.13271	8.5
162.03146	3.8
162.09984	1.7
163.00252	2.1
163.03951	3.7
163.11198	4.6
164.04675	5.8
165.05490	100.0
165.98978	3.2
166.05840	4.4
168.00520	1.6
169.01340	13.1
171.04500	1.0
177.01863	3.5
177.05478	2.2
178.99725	5.1
179.03436	1.7
179.10661	1.5
180.04228	4.2
185.09697	1.0
187.11220	32.3
188.11563	2.2
189.01962	1.2
189.09140	21.2
191.38449	1.3
195.06563	30.9
196.06937	1.8
199.03902	1.3
203.10750	1.8
205.12282	13.4
207.10249	8.6
211.02403	1.1
223.13376	3.4
227.03416	2.9
229.01459	1.1
231.02960	1.6
231.10268	1.8
243.02953	4.2
249.03850	1.2
249.11325	19.5
250.43269	1.3
255.02995	8.5
256.03317	1.3
267.12384	12.3
270.01953	1.4
271.02469	17.9
271.05112	1.7
272.03082	2.9
285.04047	3.5
287.02109	3.3
294.43436	1.2
299.01929	7.1
299.99185	2.4
300.02682	22.8
300.99884	7.1
301.03503	20.8
302.00482	1.5
302.03830	2.2
313.00055	1.2
316.02173	10.5
317.03015	6.9
324.99796	3.5
327.10941	5.4
375.08948	1.3
389.06689	3.5
411.16763	1.6
431.07455	1.5
433.14795	1.7
462.09628	1.6
463.08911	15.4
464.09216	2.7
479.08340	4.6
483.18637	3.0
531.11090	1.4
577.23114	7.4
578.23151	1.6
581.13354	1.0
581.35950	1.2
607.10907	1.4
607.24084	13.8
608.24707	1.7
625.12646	23.7
625.25061	73.6
625.37573	6.4
626.13165	5.2
626.25360	15.5
634.68835	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.5
60.67309	0.9
63.02223	1.0
65.00198	2.3
71.01235	0.9
71.57663	1.7
74.45324	0.8
83.01232	1.2
85.39618	0.9
89.14738	0.9
95.01252	1.3
99.00816	1.1
107.01263	3.2
109.02835	4.8
110.00001	5.7
111.00761	4.1
123.00761	3.1
123.26191	1.0
124.01525	2.9
125.02333	8.5
136.98746	1.0
137.02341	1.8
137.99501	2.7
139.00291	7.0
149.02269	1.4
151.00285	8.4
152.01028	4.3
153.01707	1.2
159.04404	1.7
161.02345	2.0
163.00264	3.5
164.01022	1.3
165.01717	1.1
165.99010	6.3
166.99788	4.7
168.00513	1.7
169.01358	8.4
171.04462	1.5
173.02286	1.2
175.03899	1.6
178.99812	8.9
183.04466	2.2
185.02351	1.0
187.03906	1.9
189.01862	1.7
190.02713	1.0
194.99309	1.4
199.03908	4.8
201.01826	3.3
201.05489	1.1
203.03447	3.5
205.01402	1.4
206.99359	1.9
208.00281	1.2
209.00870	1.2
213.01860	1.1
214.02602	2.9
215.03406	3.4
216.04254	1.2
217.01173	1.0
226.02557	1.5
227.03381	5.9
229.01416	1.3
231.02966	2.4
232.03468	1.0
241.01416	1.3
242.02126	4.4
243.02939	8.9
244.03662	1.6
245.04405	1.5
255.02919	7.4
259.02420	5.5
270.01685	5.6
271.02451	36.9
272.03094	5.7
273.04169	1.8
287.01968	13.1
288.02719	7.4
289.03482	2.1
298.01022	1.9
299.01950	37.5
299.99265	1.8
300.02478	5.3
300.99942	5.2
301.03632	2.8
315.01367	3.5
316.02216	56.1
317.02969	41.2
318.03259	3.2
489.12173	1.7
572.30963	1.0
581.15143	1.6
607.13037	3.0
625.14093	100.0
626.14392	15.0
628.57489	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24937	0.4
59.01247	1.0
63.02283	0.6
65.00191	1.5
69.29716	2.1
69.30152	2.6
71.01248	0.9
83.01257	0.9
89.02294	0.4
91.70671	0.4
93.03320	0.6
95.01239	0.5
96.95882	0.9
107.01276	3.5
108.02060	1.3
109.02833	0.6
109.34599	0.4
111.00774	0.6
111.29087	0.4
121.02831	1.6
123.00776	0.9
124.01559	0.5
125.02344	4.3
135.00742	0.6
137.02254	0.5
139.00264	0.6
141.28247	0.4
148.01605	1.3
151.00287	10.5
152.01003	0.5
153.01857	0.4
163.00307	1.4
164.01102	0.7
167.67317	0.4
168.00511	0.5
169.01370	5.6
170.01703	0.6
173.76041	0.4
175.03976	0.5
178.99788	7.1
183.04475	0.6
187.03937	0.5
193.01701	0.5
199.03989	1.0
205.01329	0.5
211.03925	0.7
215.03500	0.7
216.04161	0.8
217.34253	0.4
226.02640	1.6
227.03448	2.8
229.01358	1.0
229.05025	0.5
243.02951	10.5
244.03618	0.8
254.02193	2.2
255.02968	23.4
256.03290	1.8
271.02478	58.1
272.02887	5.6
273.03760	0.6
275.95010	0.4
279.47400	0.4
299.02090	4.2
300.02740	100.0
300.99893	2.9
301.03418	33.2
302.00369	0.5
302.03821	1.9
408.19653	0.5
445.07813	1.0
459.30829	0.4
463.08862	17.6
464.09018	1.8
518.31531	0.4
625.14111	45.1
626.14661	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	625.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00268	0.3
59.01259	2.1
61.98727	0.7
69.03337	0.4
71.01251	2.7
71.58068	0.5
73.02830	0.4
78.95743	0.4
83.01280	0.3
85.02828	1.0
89.02316	0.6
96.95905	0.7
101.02322	1.3
111.00813	0.3
113.02337	0.7
116.90897	0.3
117.01737	0.3
121.02843	100.0
122.03159	2.9
123.00751	0.7
125.02341	1.6
136.01558	0.6
147.04422	0.3
161.04457	0.5
169.01268	1.1
176.28329	0.3
197.11763	1.1
206.26550	0.3
209.11743	1.4
211.13397	0.3
269.11072	0.4
300.02829	0.4
301.00067	0.4
326.11542	1.3
341.14001	4.0
342.14105	0.5
448.15567	0.3
463.17612	18.0
464.17957	2.8
487.58295	0.4
625.27643	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96849	2.1
71.57070	2.7
88.89186	1.8
96.95875	3.8
108.19921	2.1
111.00752	2.6
142.17178	2.1
169.01443	2.8
205.04988	2.2
242.99353	3.2
249.04381	1.9
262.96716	2.0
270.98837	28.2
271.99185	2.6
293.02838	2.7
298.98340	43.4
299.99109	100.0
300.99713	13.1
312.99948	5.8
313.61777	2.0
380.11713	2.0
462.04135	3.3
463.05170	25.9
464.05438	2.3
625.10425	70.5
626.11023	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	625.1198
Annotation	Quercetin 3-(6''-caffeylgalactoside)
Peak:m/z	Relative Intensity
65.00200	3.7
68.45122	1.1
69.45177	10.1
77.15707	1.3
83.01273	1.4
93.03297	1.5
95.46902	1.1
97.46043	1.1
99.91229	1.3
107.01280	4.0
108.02084	1.3
109.02827	1.5
121.02851	2.7
129.83916	1.2
133.02849	3.3
135.04428	3.6
148.01453	1.2
151.00272	18.4
161.02368	8.2
163.00288	2.2
164.01213	1.1
169.01437	1.7
178.99742	8.6
179.03345	1.4
211.04025	1.6
227.03429	2.2
229.04857	1.8
243.02928	8.9
254.02243	2.9
255.02972	25.6
256.03409	1.5
271.02472	50.1
272.02902	5.1
283.02557	1.4
299.01898	1.7
300.02750	100.0
301.03476	58.2
302.03793	3.4
323.07825	1.7
463.08838	56.8
464.09207	6.8
475.66367	1.3
625.12012	24.9
626.12311	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	625.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53534	0.4
57.03316	1.1
59.01253	4.6
63.02270	2.5
65.00194	4.6
69.91167	2.1
71.01250	2.3
73.02805	0.7
75.47142	0.4
81.03304	0.6
83.01251	3.6
85.02810	0.7
87.00753	1.3
88.98671	0.6
89.02316	1.5
93.03324	1.4
95.01277	0.8
96.95912	0.5
101.02324	1.1
103.71259	0.6
107.01271	11.8
107.04924	1.0
108.02028	1.0
109.02858	2.4
111.00786	0.5
113.02318	0.6
117.03239	0.7
119.01222	0.7
121.02839	7.9
123.00718	0.5
124.01599	0.8
125.02345	3.7
133.02817	3.1
135.00790	1.3
135.04413	2.5
137.02345	0.5
145.02885	1.7
148.01588	0.8
149.02368	1.7
151.00276	34.8
152.00667	1.0
159.04402	0.7
161.02350	8.4
161.09604	1.9
161.13274	0.9
162.03058	1.8
162.99364	0.4
163.00285	3.6
163.03883	1.0
164.01103	1.2
165.05542	1.1
169.01353	6.6
175.03802	0.6
177.01828	0.9
177.05492	0.6
178.99783	18.0
179.03406	1.6
180.00137	0.7
180.04128	0.7
184.97740	0.4
187.03853	0.7
187.09743	0.5
187.11185	2.6
189.09096	1.4
190.99763	0.6
192.00583	0.6
193.01328	1.0
194.25708	0.4
195.06564	1.5
199.03889	0.6
202.99930	0.5
203.03436	0.9
205.12215	1.0
207.10190	0.6
211.03889	1.3
215.03471	0.6
226.02698	0.9
227.03452	2.8
228.04065	0.5
229.04936	2.3
239.03577	0.5
243.02982	6.8
245.04564	1.6
249.11295	1.4
254.02211	1.4
255.02971	19.4
256.03421	1.6
257.04385	0.9
271.02472	31.4
272.03000	3.1
273.03943	2.6
283.02490	2.2
284.03314	0.9
285.04037	1.7
286.04294	0.6
299.01996	1.3
300.02747	63.2
301.03503	100.0
302.03888	7.6
323.07684	1.7
341.02942	0.7
342.03473	0.5
357.12112	1.1
376.74432	0.5
463.08829	52.5
464.09097	6.6
607.24255	0.8
625.12042	26.3
625.24860	5.6
625.35974	0.7
626.12396	4.8
626.23792	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	3.1
59.01251	23.2
61.98725	2.6
69.03329	3.4
71.01258	25.0
71.55875	2.7
72.99189	2.4
73.02809	6.7
83.01249	5.2
83.04887	5.9
85.02834	5.4
87.00732	8.0
89.02326	14.3
95.01265	3.0
97.06468	2.4
101.02327	20.2
109.06497	2.8
109.38828	2.2
111.08073	2.4
113.02310	9.6
128.55557	2.4
145.04916	4.1
151.08612	2.2
161.04442	5.3
179.05353	2.3
202.74162	2.7
203.14328	3.1
235.08199	16.2
251.82242	2.2
275.16345	3.3
315.26855	5.9
325.25385	9.3
341.24771	5.8
343.26276	6.6
351.23315	4.8
352.23691	3.1
359.25809	12.9
360.26318	3.0
369.24298	19.9
370.24667	4.8
377.26523	3.4
387.25403	68.1
388.25732	9.1
405.21375	3.7
405.26456	60.9
406.26627	8.3
426.87445	2.6
479.30182	3.0
529.55237	2.6
623.25110	5.0
623.34296	100.0
624.34668	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	623.3438
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
52.83142	1.0
54.78909	1.2
55.01740	2.1
57.03312	3.1
58.33977	1.0
59.01252	22.7
59.56025	1.2
60.60447	0.9
61.00536	1.1
69.03312	2.8
70.04729	2.1
70.05120	2.9
71.01256	24.6
71.79226	1.3
72.99171	2.2
73.02818	8.1
81.03323	1.4
83.01243	4.4
83.04896	3.1
85.02835	7.1
87.00758	9.3
89.02326	12.5
93.03332	1.0
95.01268	2.6
95.04890	1.7
97.02834	1.6
97.06464	2.4
99.00778	1.5
101.02333	16.5
109.06480	1.8
111.04391	1.7
111.08026	2.6
113.02307	8.5
119.03391	3.0
125.02314	2.9
135.08046	2.3
137.09618	3.1
143.03438	1.7
145.04942	5.7
161.04449	4.7
167.14388	1.2
179.05521	3.1
203.14462	1.5
211.13293	2.0
212.38242	1.1
213.14873	2.5
216.22855	1.0
231.17473	1.9
235.08179	15.9
237.14960	1.5
239.16513	2.0
247.13191	1.2
247.17078	1.6
251.16740	1.2
261.18695	1.4
265.18045	2.3
267.19635	1.2
275.16565	3.2
277.18176	2.2
300.99841	1.2
313.25244	1.3
315.26904	4.1
325.25391	6.1
341.24863	3.9
343.26517	8.9
351.23456	5.0
353.70505	1.3
359.26019	11.4
361.27390	3.0
369.24289	19.6
370.24649	1.3
370.75793	1.1
377.27066	1.4
387.25424	67.2
388.25705	5.6
405.26443	53.1
406.27017	5.4
479.29877	2.3
585.45062	1.3
605.33691	1.9
623.34369	100.0
624.34735	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	623.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62259	0.6
57.03333	0.7
59.01253	9.9
60.99168	1.1
61.98705	4.4
62.96272	0.8
63.02893	0.7
63.46603	0.7
64.16902	0.6
71.01254	5.6
71.04874	0.8
71.58080	1.0
72.99186	1.1
73.02815	2.4
73.60304	0.7
73.81974	0.7
75.00745	1.5
78.95779	100.0
80.02551	2.0
81.03337	1.9
81.85532	0.7
83.01265	2.0
83.04897	7.3
84.02043	1.2
85.02834	1.5
88.98684	5.1
89.02328	3.0
92.48862	0.6
93.03345	0.9
95.01285	0.9
95.04913	1.4
96.95892	3.1
96.96841	9.4
97.06505	0.6
99.00747	1.0
99.92476	2.2
101.02323	4.5
107.01308	1.3
113.02355	2.2
116.92751	14.8
117.01791	1.5
119.03384	1.3
121.02901	0.8
123.00770	2.6
125.02345	4.1
134.98492	1.4
135.08069	1.4
136.98741	1.0
139.00288	1.1
140.01059	1.0
151.00243	0.9
152.99495	55.5
153.99773	1.6
161.04440	1.5
161.09761	0.7
163.11212	5.3
165.12762	3.0
168.00514	2.2
169.01349	5.6
191.10760	1.6
207.10255	1.1
209.11777	90.5
210.12137	6.0
211.02512	1.0
223.13605	0.8
225.11255	1.2
227.12816	9.9
271.04620	1.9
307.08478	0.9
330.24414	0.7
349.08817	0.8
363.12152	29.3
364.12589	1.7
381.13217	8.1
382.13425	0.9
395.14835	7.7
396.15213	1.1
401.10733	1.2
413.15674	3.0
424.55188	0.9
436.56207	0.7
462.30310	0.8
534.50031	0.8
591.25757	34.3
592.26160	6.5
623.28046	21.6
624.28296	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	623.141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70340	0.9
57.03329	1.0
59.01239	5.3
61.98695	2.4
63.02258	1.1
65.00187	1.0
74.25034	1.0
75.00719	0.9
78.95754	1.1
83.01244	1.7
85.02866	1.2
86.84296	0.9
88.98671	1.5
89.02301	1.9
93.03307	2.2
96.95860	3.2
98.19746	2.2
101.02317	2.8
101.05974	1.2
107.01248	4.4
109.02835	1.7
113.02306	1.8
117.03354	1.3
123.00723	1.9
124.01400	1.0
125.02299	4.5
132.02028	2.6
133.02823	1.2
134.03590	4.7
135.00735	2.2
135.04370	2.9
147.04437	1.0
151.00253	6.0
153.01828	1.0
159.04478	1.6
160.01582	7.2
161.01242	1.1
161.02370	12.4
162.11369	1.2
163.00217	2.8
164.01045	1.1
165.01833	1.2
165.91801	1.1
168.00623	1.1
169.01300	6.0
171.04440	1.1
172.79703	1.4
175.03934	7.2
179.03395	5.1
183.04398	1.8
185.05928	2.4
187.03883	2.8
193.04958	2.5
199.03870	1.3
211.03896	3.8
213.05464	2.6
221.04520	1.0
227.03462	51.1
228.03831	4.3
229.05009	8.8
239.03326	2.4
240.04131	1.5
241.04858	1.4
255.02975	87.1
256.03592	13.3
257.04593	6.6
283.02380	3.4
284.03259	100.0
285.04019	82.3
286.04391	6.8
298.04630	1.7
299.05618	20.5
300.05881	2.4
323.07697	26.6
324.07980	3.1
325.03543	1.7
327.04788	1.2
337.09149	2.5
376.27704	1.9
447.09186	4.5
471.18890	1.8
540.55023	1.1
592.37738	1.1
600.55182	1.0
623.13861	55.7
623.35791	1.8
624.14099	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	623.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13060	0.6
63.02272	1.0
65.00194	0.8
70.05739	1.3
70.06156	2.8
83.01263	1.1
83.23225	0.7
87.15095	0.6
93.03330	2.3
100.49981	0.7
107.01268	4.0
109.02811	0.8
117.03373	0.8
132.02065	3.3
133.02824	1.9
134.03638	3.0
135.00746	1.5
135.04390	4.0
143.04837	0.9
151.00310	6.2
153.01953	0.9
159.04391	2.0
160.01537	5.7
161.02356	8.5
163.00278	3.5
164.01056	1.6
165.01770	1.4
169.01372	1.3
175.03912	7.3
179.03416	4.3
183.04401	1.5
185.06027	2.2
187.03944	2.3
189.05505	1.1
193.04984	1.6
195.04462	1.1
197.06000	1.3
199.03986	1.2
211.04033	3.9
213.05461	1.6
219.62901	0.8
221.04536	1.3
227.03459	52.1
228.03824	4.8
229.05023	11.5
230.05315	0.8
239.03610	1.6
241.05070	2.0
251.05931	0.9
255.02972	96.5
256.03619	14.6
257.04507	8.3
267.02957	0.9
283.02460	5.2
284.03268	100.0
285.04019	89.8
286.04401	7.7
298.04825	2.2
299.05624	12.6
323.07733	17.1
324.08038	1.5
337.09317	3.1
360.19046	0.8
407.76004	0.8
440.20798	0.9
447.09296	2.6
461.11023	1.3
623.14093	60.6
624.14545	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	621.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66954	1.9
59.01251	100.0
64.07063	1.8
66.61464	1.8
70.44093	3.9
78.95780	5.4
96.98875	1.8
106.54688	1.8
148.96239	2.0
157.08644	5.3
180.40535	2.2
209.11784	14.4
224.58307	1.9
277.21725	22.7
309.35339	2.0
313.34232	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	623.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.7
63.02275	1.0
65.00207	1.5
69.27971	0.6
69.28365	4.9
83.01278	1.0
93.03344	2.1
95.01248	0.5
98.19844	1.1
101.02357	0.5
107.01276	3.4
113.02393	0.5
117.03349	0.7
125.02335	0.6
130.04076	0.7
132.02090	3.3
133.02827	2.4
134.03625	4.4
135.00778	1.7
135.04431	3.0
137.02313	0.6
143.04959	1.0
145.02904	0.9
147.04451	0.6
149.06020	0.6
151.00275	4.9
159.04440	1.1
160.01570	8.2
161.02356	9.9
163.00279	2.0
164.01082	1.4
165.01852	1.3
167.04971	0.9
169.01321	1.7
169.06512	1.0
169.40445	0.4
171.04367	1.0
175.03923	7.8
178.02510	0.5
179.03455	3.9
182.03705	0.6
183.04463	2.4
183.94138	0.4
185.02364	1.0
185.06036	2.1
187.03830	2.6
189.05569	1.0
193.04979	2.2
195.04506	0.9
197.05946	0.6
199.03906	1.2
200.04698	0.8
201.05565	0.7
211.03955	4.2
212.04697	1.1
213.01923	0.7
213.05496	1.6
227.03459	60.3
228.03792	3.7
229.05019	6.6
239.03506	1.7
240.04179	1.1
241.05029	0.8
255.02974	100.0
256.03540	14.3
257.04523	5.6
267.02975	0.7
271.06003	0.8
283.02454	4.3
284.03262	95.2
285.03989	61.4
286.04437	3.5
298.04840	1.8
299.02148	0.7
299.05606	17.5
300.05954	1.4
323.07703	22.2
324.08133	1.7
327.05014	0.7
337.09256	1.8
374.52863	0.5
429.08118	0.6
447.09250	4.0
461.11176	1.0
494.01413	0.5
571.53021	0.5
623.14014	59.5
624.14343	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	621.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28587	1.1
57.03318	4.4
59.01252	31.7
59.02433	1.1
61.98705	3.3
71.01254	18.3
71.88080	1.3
72.99177	1.8
73.02810	5.0
78.95772	2.0
83.01267	2.5
83.04890	2.6
85.02805	8.4
87.00742	5.8
89.02312	5.3
95.01248	1.4
96.95860	1.9
99.00767	1.9
101.02323	12.1
103.55651	1.1
107.01250	1.5
107.04903	3.5
113.02341	7.0
118.18865	1.3
119.03364	2.0
120.05719	3.2
123.00776	2.2
125.02309	4.4
125.09599	3.4
135.04424	1.8
139.00301	1.3
152.04771	1.6
161.04449	5.1
161.09631	13.5
161.13275	7.0
162.09901	1.6
169.01329	5.0
171.00597	1.7
187.09589	1.6
187.11218	18.5
189.07869	1.2
189.09169	11.9
189.91801	1.2
205.12328	7.8
207.10210	3.9
209.15582	1.7
211.13510	1.7
215.14377	3.8
233.15448	15.1
249.11360	6.7
267.12381	6.3
300.99838	3.0
341.24509	1.2
371.20822	4.1
385.23788	8.5
403.24777	3.5
584.52582	1.3
603.30743	2.1
621.32825	100.0
622.33252	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	621.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52945	1.7
55.01749	2.9
57.03313	7.0
59.01258	39.9
61.98710	8.3
65.21199	1.7
69.47063	13.9
70.79649	1.5
71.01256	24.2
71.59071	1.9
73.02821	6.6
75.00753	6.6
75.10970	1.6
80.02606	1.5
83.01262	2.9
83.04907	4.7
85.02824	9.4
87.00750	12.1
89.02316	6.6
93.03331	1.5
95.01249	2.6
96.95895	2.0
97.06485	2.0
99.00759	2.6
99.49076	1.7
101.02322	17.8
107.04901	7.4
110.21252	2.2
110.25449	1.6
111.00760	2.1
111.35536	1.8
113.02342	7.5
113.36082	1.6
119.03381	2.0
120.05695	5.1
123.00782	2.7
125.02356	9.1
135.04384	2.6
151.00224	1.9
152.04688	4.2
159.08102	2.1
161.04457	5.9
161.09618	22.5
161.13306	12.4
169.01350	8.4
171.10179	5.1
179.10730	3.1
187.11215	34.1
188.11656	3.0
189.09134	22.5
205.12274	13.1
206.12611	2.5
207.10240	5.3
209.15500	2.4
223.13525	2.8
231.10266	2.0
249.11331	13.3
255.02896	1.7
267.12347	10.3
267.45322	2.0
289.81512	1.8
300.99966	2.1
304.05676	2.0
371.20853	7.3
385.23468	2.1
469.29321	1.8
477.25171	2.0
618.32904	1.9
621.32861	100.0
622.33344	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	621.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89565	0.1
55.65963	0.1
59.01254	0.3
66.78978	0.1
69.32449	1.3
71.01243	0.2
73.73837	0.1
79.95597	2.8
85.02781	0.1
93.54723	0.1
95.01278	0.1
96.95889	100.0
97.95840	0.3
107.01308	0.1
113.02368	0.1
116.76765	0.1
123.00797	0.3
125.02277	0.6
126.27355	0.1
151.00261	0.3
155.07077	0.2
168.00537	0.2
169.01346	0.8
201.11259	0.2
256.47528	0.1
301.00183	0.1
523.21863	2.0
524.22339	0.4
553.15973	0.1
621.17029	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.9
67.01778	1.9
67.31496	0.6
68.99691	0.9
69.03331	1.9
71.01254	4.2
71.11160	0.7
71.11493	0.9
72.99188	1.1
73.02844	0.6
78.28638	0.6
79.01775	1.3
81.03297	0.9
83.01254	1.6
85.02833	2.6
87.00775	1.3
89.02317	1.0
93.03327	1.1
95.01262	3.2
96.95912	1.5
97.02821	2.9
99.00780	0.7
101.02330	2.5
103.49064	0.6
107.01280	10.4
109.02843	0.9
111.00777	4.1
113.02345	2.1
115.01762	0.6
123.00779	12.5
123.04390	1.0
124.01579	3.4
125.02344	78.6
126.02695	1.9
127.00268	1.7
133.02849	1.0
135.04385	0.7
136.98734	1.5
137.02354	1.8
139.00264	4.6
140.01042	4.7
141.01834	1.3
143.03525	0.7
143.36606	0.6
149.02339	0.7
151.00284	5.8
151.03915	1.1
153.01868	0.9
161.02402	1.4
163.00307	1.9
163.03929	0.8
165.01839	1.2
166.99776	2.5
167.03387	1.0
168.00555	10.7
169.01346	100.0
170.01711	5.3
175.03937	1.0
177.01910	0.7
179.03429	1.1
181.01379	0.9
191.03415	1.0
193.01324	3.3
205.01375	1.3
207.02972	1.0
211.02429	29.9
212.02814	2.1
221.04411	0.9
223.02357	1.0
241.03543	1.9
247.02585	0.9
253.03601	0.9
271.01898	1.4
271.04626	20.2
272.05048	1.1
295.04553	5.8
297.06198	1.1
299.99146	1.1
300.99814	3.0
301.03220	0.7
313.05667	22.0
314.06058	1.5
409.11307	1.8
415.13556	1.1
451.05463	0.7
451.12338	1.8
459.13083	1.5
465.06747	49.3
466.06940	5.5
469.13599	12.4
470.14255	1.3
539.11737	0.7
604.92743	0.8
621.14624	59.2
622.15009	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	621.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
62.31162	2.5
66.86745	2.4
69.52785	11.7
69.53216	8.6
71.01257	3.2
85.02795	2.9
93.03337	2.8
95.01288	3.9
105.03296	3.4
109.02861	2.5
111.00766	2.8
112.43594	2.4
113.02317	4.2
117.03350	5.3
119.04897	6.0
120.60279	2.3
123.00771	6.0
125.02325	19.0
133.02856	6.6
135.04439	2.7
137.02344	9.1
145.02866	14.5
147.04384	9.0
149.02248	6.0
151.03651	2.6
154.99814	2.6
161.02388	17.7
163.00249	9.1
163.03868	8.3
165.01830	8.6
165.05460	2.9
169.01311	19.9
173.02321	8.4
175.03967	5.6
176.01073	3.5
177.01901	20.6
178.90172	2.3
179.03371	3.1
181.01378	3.1
187.00342	3.3
189.01869	19.0
190.02554	4.0
191.03441	28.1
193.01358	7.4
201.01901	6.0
202.02518	2.4
203.03421	3.6
205.01326	16.7
207.02808	4.4
209.00877	3.5
213.02028	2.8
216.00551	2.9
217.01353	26.7
219.02921	11.2
220.03249	2.4
221.00888	13.0
227.03410	3.3
229.01321	6.5
233.00854	18.6
234.01433	2.8
234.98508	2.4
235.02444	12.7
237.03998	5.5
242.99217	2.7
245.00874	21.6
245.07480	2.2
246.55988	2.5
247.02428	9.3
257.00885	4.3
259.99612	3.3
261.00378	35.7
262.00732	6.4
263.01981	48.2
270.98785	5.7
273.00449	12.7
275.01877	13.0
280.17130	2.7
287.98495	2.5
288.99890	54.2
290.00253	4.2
291.01648	3.1
300.99893	100.0
302.00146	9.3
303.00742	2.5
307.00940	8.5
309.81293	2.9
313.05685	3.7
316.99417	3.9
407.06052	4.6
409.03799	4.5
425.06903	3.2
425.33194	2.5
451.05109	9.3
453.06711	4.2
463.05511	13.2
469.06213	26.1
470.06607	3.5
481.05966	10.5
482.22577	2.6
523.06866	3.7
551.06189	3.1
575.06628	6.8
577.08008	9.7
593.06555	3.5
603.06134	10.1
621.07208	41.4
622.07379	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	619.2562
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
52.64719	0.9
56.31460	0.8
71.20404	1.5
78.95774	9.4
82.64777	1.0
91.42837	0.8
141.25084	0.9
152.99516	5.6
193.47353	0.8
209.11783	2.4
236.30205	0.9
252.56612	1.0
255.23254	7.6
275.26019	0.8
334.44467	0.9
389.15454	1.7
391.22610	2.7
401.14108	2.9
409.23706	1.3
415.15549	3.4
416.16406	14.6
417.16632	2.8
429.17642	1.8
430.17960	2.6
434.17667	1.2
444.15924	1.2
458.17310	1.6
459.18250	100.0
460.18518	14.8
473.19846	17.1
474.20374	5.5
501.19547	1.1
503.17331	3.3
511.17612	1.2
518.19580	42.8
519.19690	9.0
532.21094	7.7
533.21930	87.3
534.22168	16.4
587.22882	6.3
588.22992	1.3
619.25684	57.2
619.35309	2.4
620.26172	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	619.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08578	2.8
52.75540	2.2
58.74461	2.4
64.08125	2.4
69.87114	15.4
78.95778	100.0
96.96832	8.8
98.20505	3.8
152.99498	53.7
209.11803	22.2
227.12932	5.8
255.23294	76.1
256.23572	3.7
363.12164	9.9
391.22549	24.3
409.23425	10.2
413.85510	2.9
543.41260	2.7
619.35956	27.1
620.36682	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	619.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02225	0.4
59.01244	1.1
63.94350	0.4
69.03311	0.4
71.01248	1.0
79.95598	2.1
83.01276	0.6
87.00777	0.4
95.01280	0.7
96.95894	100.0
101.02298	0.6
107.01310	1.9
109.06528	0.4
111.00777	0.6
113.02357	0.5
121.02818	0.4
122.03616	1.1
123.00779	1.7
124.01536	0.4
125.02343	7.5
136.79070	0.4
137.02264	0.5
139.00287	1.1
140.01105	1.1
141.01903	0.5
149.02383	0.4
151.00319	1.0
152.03452	0.7
155.07037	0.5
166.99776	0.8
168.00557	1.6
169.01352	12.0
170.01720	1.3
189.01735	0.4
193.01279	0.8
207.02937	0.4
207.75790	0.4
211.02425	1.1
217.01234	0.4
229.76257	0.4
233.43222	0.4
235.43027	0.4
255.02852	0.6
271.02194	0.7
271.04675	1.3
273.03195	0.4
285.03912	0.5
288.99866	0.6
299.99429	0.6
300.02783	1.6
300.99857	1.2
301.03464	1.8
301.10968	0.7
302.00323	0.7
302.03525	1.0
303.00473	1.0
303.03873	0.5
305.06699	1.0
307.08307	0.4
330.94604	0.4
333.43079	0.4
338.36646	0.4
363.76901	0.4
449.10840	0.7
467.10803	0.8
488.30521	0.4
521.20044	0.8
575.17523	1.3
601.16046	0.7
619.15802	3.1
619.25403	0.5
620.16333	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81525	2.0
73.69833	2.1
78.95777	83.6
83.04903	3.4
96.96840	6.6
98.19755	5.1
107.21761	2.1
114.99641	2.3
118.59818	1.8
137.39626	2.0
147.57320	1.9
152.99498	47.2
208.33183	2.0
209.11797	20.8
227.12827	5.7
255.23283	56.7
256.23611	3.6
334.32858	1.9
363.12112	8.7
391.22549	11.0
409.23718	10.7
415.15704	3.5
416.16321	13.5
459.18228	100.0
460.18463	19.4
473.19623	18.5
474.20267	9.2
503.17096	2.6
518.19617	42.3
519.19946	5.0
532.21002	6.3
533.21912	65.0
534.22552	11.5
587.22852	5.8
619.25604	50.1
619.36035	15.0
620.25684	9.9
620.35889	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	619.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15531	0.9
55.62535	0.8
59.01241	2.8
65.00186	1.4
67.01742	1.2
69.03320	2.6
71.01254	7.2
71.57200	1.2
71.58144	0.8
72.99156	1.8
78.95770	1.7
79.01746	1.7
81.03345	2.0
83.01250	1.8
85.02813	3.6
86.13970	0.8
89.02281	1.7
95.01280	4.9
96.95891	9.2
96.96812	1.4
97.02825	2.2
98.02352	0.9
99.00729	0.8
101.02293	2.2
107.01275	8.8
108.02058	19.8
109.02843	7.5
110.99377	0.8
111.00766	2.9
113.02322	2.4
121.02831	2.0
123.00780	18.4
124.01533	2.5
125.02344	72.8
126.02659	2.8
136.98682	1.4
137.02367	2.1
138.03178	1.3
139.00272	6.4
140.01074	4.8
141.01813	1.3
147.04399	1.1
149.02367	2.5
150.03127	1.0
151.00281	9.2
151.03828	0.9
152.01068	26.4
152.02313	1.3
153.01859	9.9
161.02446	1.1
163.00162	1.4
163.03902	1.1
164.04593	1.0
165.01828	1.4
165.05460	0.9
166.99747	4.0
167.03380	2.0
168.00548	10.3
169.01343	100.0
170.01616	3.9
179.03436	1.9
181.01352	0.9
191.03406	1.8
192.00414	0.9
193.01329	5.0
193.98444	2.2
194.99242	1.1
196.96297	0.9
197.04512	1.3
207.02965	1.1
211.02425	8.8
223.02431	2.5
229.01378	1.1
237.04018	1.2
241.03525	1.1
251.58720	0.9
253.03456	1.2
257.01099	1.0
262.90179	1.1
271.04517	2.9
273.00339	2.1
275.01764	1.4
295.04498	2.6
297.06158	5.4
299.99213	1.1
300.99789	10.3
301.03412	2.0
302.00125	1.2
313.05661	29.7
314.05875	3.2
315.07080	0.9
405.08298	2.3
423.09219	1.7
449.06924	1.5
452.52573	1.2
463.08539	1.2
465.06741	37.2
466.07059	3.9
467.07562	2.5
467.12448	2.3
575.10449	11.4
576.10541	1.8
601.08209	2.5
619.09320	96.3
620.09613	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	619.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79567	0.1
59.01260	0.7
59.37685	0.2
71.01247	0.5
71.07318	0.4
79.95618	2.3
89.02342	0.3
92.49448	0.1
95.01290	0.2
96.95894	100.0
97.95810	0.4
98.19844	0.2
101.02317	0.4
107.01250	0.4
109.02823	0.2
111.00784	0.2
113.02328	0.2
117.18006	0.2
122.03629	0.2
123.00764	0.5
125.02343	2.4
134.34750	0.1
137.02304	0.2
139.00293	0.4
139.06354	0.2
140.01031	0.2
147.04462	0.2
147.94838	0.2
150.03154	0.2
151.00262	0.3
152.03439	0.6
153.03783	0.2
154.99895	0.2
155.07053	0.3
165.05519	0.2
165.81757	0.1
166.99768	0.3
168.00572	0.4
169.01338	2.8
170.01585	0.2
211.02324	0.9
234.83119	0.2
255.02779	0.2
271.04614	1.2
285.03998	0.3
300.02765	0.2
300.99930	0.6
301.03314	0.3
302.00323	0.3
303.00717	0.2
305.06488	0.2
308.99411	0.3
313.05743	0.3
314.06015	0.2
331.06683	0.3
402.17163	0.1
467.10257	0.5
467.21597	0.2
521.20227	0.5
526.79797	0.2
575.17645	0.2
619.15784	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	2.0
69.03304	0.9
71.01262	3.4
71.01574	0.6
71.57290	1.3
71.57681	0.9
81.03299	0.7
85.02795	2.6
85.16674	0.7
89.02309	0.8
95.01247	2.1
96.95862	1.2
97.02785	0.9
101.02301	1.7
107.01280	3.9
108.02051	19.2
109.02847	8.6
111.00735	1.5
113.02311	1.4
123.00777	9.7
123.04371	1.9
125.01461	1.6
125.02338	25.2
126.02602	1.0
133.02850	0.7
135.00734	0.8
135.04408	1.6
136.98697	1.1
139.00241	2.7
140.00978	2.2
141.01787	1.4
145.77609	0.8
149.02325	1.3
150.03076	0.9
151.00247	7.4
151.03920	1.0
152.01065	21.6
152.03056	0.8
153.01865	8.3
153.05434	2.5
161.02299	2.0
163.03871	1.8
165.01825	1.5
168.00487	3.0
169.01343	39.8
170.01610	1.3
177.01880	1.4
179.03421	0.7
179.97734	0.9
189.01886	1.0
191.03351	1.6
193.01331	0.9
193.98468	3.8
194.99226	1.0
202.31839	0.8
205.01349	2.1
207.03021	1.0
211.02278	2.2
220.51595	0.7
223.02299	1.0
233.00923	1.6
235.02272	0.8
247.02502	1.0
258.98672	1.0
259.02301	0.8
261.00229	1.1
271.04477	1.3
273.00134	1.2
297.06155	1.1
300.99762	2.2
313.05685	10.9
315.07248	14.9
315.10611	1.1
322.40402	0.8
379.02869	1.2
423.09259	13.1
424.09619	1.9
449.06949	1.9
465.06592	4.0
467.08051	100.0
468.08456	12.1
532.07178	0.8
575.07428	0.8
619.09277	10.0
620.09888	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.3
58.00474	6.2
59.01252	100.0
59.58803	0.9
60.40928	0.9
69.50474	4.7
69.50880	3.1
71.01252	67.2
72.01582	1.2
72.34175	1.1
72.99190	7.8
73.02808	1.4
83.01247	3.1
83.04900	2.6
84.02056	1.1
85.02823	11.7
85.06461	2.9
87.00759	4.3
88.03897	1.9
88.46141	1.0
89.02316	89.5
95.01244	4.2
96.95855	1.3
98.02348	1.2
98.19790	1.4
101.02322	45.0
108.08066	3.5
109.06431	0.9
113.02326	24.7
115.07487	1.1
119.03387	44.2
124.07516	1.2
126.09137	6.0
127.89462	1.0
131.03360	3.5
138.09132	2.6
143.03407	5.3
149.04433	3.2
156.10136	2.6
161.04446	6.5
166.08606	1.6
179.05511	13.9
184.09753	2.3
217.87958	1.1
253.25374	14.1
254.25845	1.5
281.24823	3.7
281.27655	1.0
283.26355	1.4
289.10828	1.1
298.27615	1.3
299.25848	5.8
324.28986	4.6
337.59283	1.3
362.34634	1.3
408.34756	2.4
410.36627	1.1
420.34650	5.3
438.29858	2.2
438.35873	44.6
439.36279	6.7
456.36899	19.8
457.37411	1.8
482.55429	1.1
618.42188	45.6
619.42493	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	617.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	3.3
61.98708	0.7
71.01252	4.0
72.99213	0.5
80.02558	1.0
81.03333	0.9
82.56652	0.3
83.01305	0.4
83.04887	3.2
84.02047	0.8
85.02814	0.9
87.00765	0.8
89.02323	2.2
95.01304	0.3
95.04928	0.4
96.95873	0.5
97.02814	0.6
97.06495	0.4
98.20577	0.7
101.02326	2.7
107.01256	0.5
113.02330	1.4
119.03406	1.1
123.00770	1.1
125.02358	1.7
125.06004	0.6
125.09599	1.1
125.63344	0.4
127.11160	1.9
147.11697	0.3
151.00356	0.6
153.09180	0.3
155.07068	0.5
161.04456	1.2
163.11182	3.0
165.12740	2.0
168.00529	0.5
169.01343	1.5
171.10181	100.0
172.10530	4.6
179.05518	0.5
181.12224	0.4
191.10696	1.1
209.11771	87.5
210.12085	5.5
227.12837	11.4
228.13165	0.4
235.08176	2.9
253.09271	7.8
301.03253	0.4
307.08292	0.9
407.19022	1.2
445.20877	0.8
581.29065	0.5
617.33484	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	0.5
59.01252	100.0
60.01580	0.8
61.98704	0.5
67.01755	0.5
68.99683	0.6
69.31858	3.3
71.01255	4.7
72.99200	0.6
73.02837	1.0
83.01287	0.6
85.02824	1.6
87.00785	0.5
88.98698	0.4
89.02338	0.8
94.97972	0.6
95.01276	0.8
96.95882	3.0
99.00769	0.5
101.02323	2.5
105.35144	0.3
107.01266	2.6
107.04917	1.3
109.06476	0.9
111.00706	0.6
113.02331	1.7
119.03360	0.6
121.42353	0.4
122.03747	0.4
123.00772	2.5
123.14581	0.4
124.01595	0.5
125.02333	10.3
131.58806	0.3
135.04436	1.6
136.98679	0.5
137.02353	0.8
139.00269	0.5
139.03882	0.8
140.01070	0.8
145.02844	0.4
150.03067	0.4
151.00302	2.1
152.03461	1.9
153.05510	0.6
159.02940	0.4
160.03975	0.7
161.02373	0.7
161.04443	3.6
163.00275	0.5
166.99854	0.9
167.07059	8.0
167.08385	0.6
168.00598	1.2
169.01341	14.5
171.10213	0.5
178.99719	0.7
185.08102	0.5
193.01375	0.9
195.06723	0.5
209.11775	0.5
211.02502	1.2
227.01627	0.4
227.03746	0.5
243.02982	0.4
255.03029	1.3
257.04794	0.4
268.13602	0.4
269.45996	0.4
271.02478	2.2
285.04150	1.2
286.04620	0.4
288.03531	0.4
297.06320	0.5
299.01892	0.4
299.99445	0.8
300.02872	3.0
301.00012	2.7
301.03607	2.9
302.04019	0.5
307.67783	0.4
313.05615	4.2
389.21829	2.5
464.05710	0.4
465.06702	18.4
465.17743	0.9
478.90173	0.4
597.02087	0.5
617.15051	1.3
617.23645	0.5
617.32153	0.4
643.97144	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35463	1.4
56.26694	1.6
59.01250	14.4
61.98686	2.0
64.29742	1.4
65.00203	4.7
69.70173	7.5
69.70585	4.3
71.01266	5.0
72.99186	2.9
73.02840	2.0
75.00742	3.0
83.01274	3.9
85.02822	3.5
87.00751	6.0
88.00286	5.1
88.98679	7.0
89.02309	17.6
95.01269	4.5
96.95889	7.1
99.00760	1.9
101.02313	3.1
107.01213	8.6
109.02847	5.8
109.99998	5.2
111.00758	7.4
113.02337	3.3
121.02849	3.1
123.00778	11.5
124.01598	4.7
125.02344	21.8
135.04402	1.8
136.98718	3.0
137.02338	3.1
139.00287	10.0
148.01598	3.2
149.02284	3.2
150.03140	6.4
151.00290	17.6
152.01027	6.6
153.01839	7.1
155.07022	4.3
160.03949	20.1
161.02354	4.0
161.04353	8.1
161.99919	1.5
163.00285	5.0
163.03972	1.9
164.01073	3.5
165.05475	4.5
165.98970	4.9
166.99777	6.4
167.03539	2.1
168.00525	3.1
169.01358	24.0
171.04362	3.2
175.03917	3.5
178.99738	15.9
179.03339	2.2
183.04471	2.2
185.02391	2.3
187.03986	3.5
189.01839	2.2
193.01263	1.9
195.06511	3.2
196.03757	4.6
199.03952	5.5
201.01831	1.9
203.03421	3.6
211.06058	8.4
213.01869	2.8
214.02577	1.9
215.03362	5.0
216.04330	2.6
217.05016	1.7
226.02649	2.0
227.03419	9.6
230.02071	2.9
231.02988	4.6
241.01476	3.9
242.02194	4.8
243.02992	14.3
244.03525	3.6
245.04468	2.6
255.02989	15.3
256.03384	3.7
259.02435	4.9
270.01740	6.2
270.99341	3.6
271.02444	49.5
272.03058	11.4
273.04105	5.8
283.99768	1.9
285.04013	1.9
287.01965	16.3
288.02551	6.0
298.98553	2.8
299.01971	33.1
299.99112	8.7
300.02750	31.1
300.99896	26.6
301.03494	22.0
302.00256	2.1
302.03763	4.6
303.04016	2.4
313.05618	2.7
315.01553	3.7
316.02209	54.2
317.02985	35.5
382.90363	1.8
463.08664	6.1
465.05945	2.5
465.26913	2.5
479.08646	2.3
599.13770	4.4
617.15118	100.0
617.28394	11.2
618.15417	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35463	1.4
56.26694	1.6
59.01250	14.4
61.98686	2.0
64.29742	1.4
65.00203	4.7
69.70173	7.5
69.70585	4.3
71.01266	5.0
72.99186	2.9
73.02840	2.0
75.00742	3.0
83.01274	3.9
85.02822	3.5
87.00751	6.0
88.00286	5.1
88.98679	7.0
89.02309	17.6
95.01269	4.5
96.95889	7.1
99.00760	1.9
101.02313	3.1
107.01213	8.6
109.02847	5.8
109.99998	5.2
111.00758	7.4
113.02337	3.3
121.02849	3.1
123.00778	11.5
124.01598	4.7
125.02344	21.8
135.04402	1.8
136.98718	3.0
137.02338	3.1
139.00287	10.0
148.01598	3.2
149.02284	3.2
150.03140	6.4
151.00290	17.6
152.01027	6.6
153.01839	7.1
155.07022	4.3
160.03949	20.1
161.02354	4.0
161.04353	8.1
161.99919	1.5
163.00285	5.0
163.03972	1.9
164.01073	3.5
165.05475	4.5
165.98970	4.9
166.99777	6.4
167.03539	2.1
168.00525	3.1
169.01358	24.0
171.04362	3.2
175.03917	3.5
178.99738	15.9
179.03339	2.2
183.04471	2.2
185.02391	2.3
187.03986	3.5
189.01839	2.2
193.01263	1.9
195.06511	3.2
196.03757	4.6
199.03952	5.5
201.01831	1.9
203.03421	3.6
211.06058	8.4
213.01869	2.8
214.02577	1.9
215.03362	5.0
216.04330	2.6
217.05016	1.7
226.02649	2.0
227.03419	9.6
230.02071	2.9
231.02988	4.6
241.01476	3.9
242.02194	4.8
243.02992	14.3
244.03525	3.6
245.04468	2.6
255.02989	15.3
256.03384	3.7
259.02435	4.9
270.01740	6.2
270.99341	3.6
271.02444	49.5
272.03058	11.4
273.04105	5.8
283.99768	1.9
285.04013	1.9
287.01965	16.3
288.02551	6.0
298.98553	2.8
299.01971	33.1
299.99112	8.7
300.02750	31.1
300.99896	26.6
301.03494	22.0
302.00256	2.1
302.03763	4.6
303.04016	2.4
313.05618	2.7
315.01553	3.7
316.02209	54.2
317.02985	35.5
382.90363	1.8
463.08664	6.1
465.05945	2.5
465.26913	2.5
479.08646	2.3
599.13770	4.4
617.15118	100.0
617.28394	11.2
618.15417	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35463	1.4
56.26694	1.6
59.01250	14.4
61.98686	2.0
64.29742	1.4
65.00203	4.7
69.70173	7.5
69.70585	4.3
71.01266	5.0
72.99186	2.9
73.02840	2.0
75.00742	3.0
83.01274	3.9
85.02822	3.5
87.00751	6.0
88.00286	5.1
88.98679	7.0
89.02309	17.6
95.01269	4.5
96.95889	7.1
99.00760	1.9
101.02313	3.1
107.01213	8.6
109.02847	5.8
109.99998	5.2
111.00758	7.4
113.02337	3.3
121.02849	3.1
123.00778	11.5
124.01598	4.7
125.02344	21.8
135.04402	1.8
136.98718	3.0
137.02338	3.1
139.00287	10.0
148.01598	3.2
149.02284	3.2
150.03140	6.4
151.00290	17.6
152.01027	6.6
153.01839	7.1
155.07022	4.3
160.03949	20.1
161.02354	4.0
161.04353	8.1
161.99919	1.5
163.00285	5.0
163.03972	1.9
164.01073	3.5
165.05475	4.5
165.98970	4.9
166.99777	6.4
167.03539	2.1
168.00525	3.1
169.01358	24.0
171.04362	3.2
175.03917	3.5
178.99738	15.9
179.03339	2.2
183.04471	2.2
185.02391	2.3
187.03986	3.5
189.01839	2.2
193.01263	1.9
195.06511	3.2
196.03757	4.6
199.03952	5.5
201.01831	1.9
203.03421	3.6
211.06058	8.4
213.01869	2.8
214.02577	1.9
215.03362	5.0
216.04330	2.6
217.05016	1.7
226.02649	2.0
227.03419	9.6
230.02071	2.9
231.02988	4.6
241.01476	3.9
242.02194	4.8
243.02992	14.3
244.03525	3.6
245.04468	2.6
255.02989	15.3
256.03384	3.7
259.02435	4.9
270.01740	6.2
270.99341	3.6
271.02444	49.5
272.03058	11.4
273.04105	5.8
283.99768	1.9
285.04013	1.9
287.01965	16.3
288.02551	6.0
298.98553	2.8
299.01971	33.1
299.99112	8.7
300.02750	31.1
300.99896	26.6
301.03494	22.0
302.00256	2.1
302.03763	4.6
303.04016	2.4
313.05618	2.7
315.01553	3.7
316.02209	54.2
317.02985	35.5
382.90363	1.8
463.08664	6.1
465.05945	2.5
465.26913	2.5
479.08646	2.3
599.13770	4.4
617.15118	100.0
617.28394	11.2
618.15417	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1146
Annotation	Taxillusin
Peak:m/z	Relative Intensity
57.03325	6.8
59.01251	1.2
59.84435	0.9
62.51330	0.9
63.02293	0.9
65.00198	4.2
67.01751	1.3
68.30245	0.9
70.34180	0.9
71.01257	3.2
83.01273	5.0
95.01266	2.6
96.95901	1.0
98.19841	2.2
107.01283	11.0
109.02835	2.7
111.00726	2.3
113.02325	2.2
115.46797	0.9
121.02818	2.5
123.00761	10.7
123.04402	3.0
124.01545	1.4
125.02340	100.0
126.02663	4.1
128.57858	0.8
131.01318	0.9
133.02829	1.0
137.02357	2.6
139.00267	2.5
139.03899	2.6
140.01033	3.0
143.03200	1.0
145.02751	0.9
147.04349	1.6
149.02373	7.7
151.00278	23.4
151.03902	2.0
152.01068	1.4
153.01851	16.8
154.79312	0.8
161.02298	1.5
163.00273	15.0
163.19666	0.8
165.01776	1.4
166.99763	2.3
167.03397	1.5
168.00542	5.8
169.01341	53.5
170.01715	2.6
173.05969	1.3
174.03108	1.8
175.00310	1.3
175.03923	13.4
176.01060	4.2
177.01849	15.7
178.02235	1.1
178.99809	6.5
181.01320	2.0
189.05473	3.8
191.03340	2.0
195.02869	1.0
199.03934	7.3
201.01842	1.8
204.31845	1.0
211.02342	6.9
211.04082	1.2
217.05074	7.4
229.90726	1.0
241.05225	4.8
243.02856	1.6
257.04498	2.0
259.06076	1.5
267.02869	1.1
270.98685	1.4
271.04645	5.8
275.05527	7.1
284.03256	8.4
285.04025	32.2
285.07172	1.6
286.04333	2.1
299.05646	1.1
300.99973	2.9
303.05121	11.6
312.04892	1.3
313.05640	44.4
314.05945	2.9
439.08801	8.0
440.09286	1.3
447.09372	1.2
465.06635	7.5
466.07684	6.0
467.08185	3.9
477.06741	4.2
493.06082	5.2
494.07333	2.0
495.07626	2.5
589.11993	16.0
590.12695	2.4
599.10388	43.1
600.10724	6.0
617.11462	50.4
618.11920	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	617.078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17174	2.9
59.01252	13.4
61.85297	2.5
63.02259	8.4
63.97997	2.6
65.00196	12.5
67.01746	2.9
69.03306	3.5
71.01253	8.0
71.57488	3.7
74.47293	2.8
75.00730	4.6
83.01270	10.2
83.92908	3.1
85.02850	2.9
87.00758	2.8
91.15353	2.8
95.01252	8.0
96.95895	5.7
96.99222	2.9
97.02841	3.7
101.02346	5.9
107.01265	29.4
109.02864	18.4
111.00766	14.7
113.02296	3.5
121.02821	9.2
123.00767	16.0
123.04408	3.1
125.02341	54.1
133.02818	5.2
136.98648	3.6
137.02330	8.3
139.00267	25.0
141.01897	3.2
145.02802	3.5
147.04369	4.6
148.18597	2.8
148.99689	2.9
149.02356	9.0
151.00273	68.3
152.00685	5.0
153.01836	26.4
154.99750	14.3
159.04352	3.6
161.02322	3.3
163.00284	11.8
163.03912	3.2
164.98230	3.6
165.01828	4.4
165.98933	3.3
166.99774	15.9
168.00534	7.8
168.99951	4.7
169.01341	65.3
175.03941	4.1
177.01852	6.4
178.99789	75.0
180.97769	3.6
181.01335	4.1
185.00812	3.6
187.03899	6.4
189.01819	4.5
190.45929	2.7
190.99878	4.7
193.01367	12.9
194.99287	6.7
199.03949	8.2
201.01865	6.0
203.03395	6.5
209.00894	4.8
213.01962	3.3
215.03423	11.2
217.01357	5.8
219.02965	3.0
222.98759	11.1
227.03429	7.1
229.01318	4.0
229.05089	3.0
231.02969	7.1
233.04591	8.0
243.02983	21.5
245.00798	6.4
245.04530	4.6
247.02400	5.6
248.02832	2.9
252.97755	3.0
255.02969	12.7
259.02490	10.5
261.03970	6.3
270.98904	7.6
271.02460	49.5
272.03067	12.3
273.00500	3.1
273.03650	3.2
287.01901	16.2
289.00143	3.2
289.03458	11.2
297.00531	6.7
299.01730	14.4
299.99081	15.9
300.02759	42.6
300.99884	59.2
301.03452	48.1
302.00482	3.7
302.03485	14.2
303.04041	8.5
309.03976	3.8
315.01471	57.8
316.02048	12.2
317.03021	19.4
318.03400	3.0
333.02530	100.0
334.02722	9.3
433.07745	5.4
449.07309	11.9
463.08917	7.9
464.09140	4.7
465.08990	6.3
467.02579	3.7
468.31821	3.2
617.10760	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	615.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55658	1.4
57.03326	1.9
57.94001	1.1
59.01257	2.5
69.03318	1.3
70.91904	1.5
70.92249	3.5
74.71799	1.6
78.95776	3.5
83.04874	1.7
93.06996	1.3
95.04872	1.5
97.06514	1.4
98.61758	1.4
99.08067	4.4
104.64717	1.4
112.05201	1.6
115.07545	1.4
119.52748	1.5
127.11181	2.4
129.09116	2.5
137.05986	6.2
139.11160	1.7
152.99449	6.0
155.07030	5.4
155.10683	15.3
163.11201	1.9
165.12772	9.5
167.10698	34.4
168.11154	1.4
171.10207	13.1
180.62581	1.3
185.11702	3.0
193.15915	4.0
197.11728	3.5
207.10161	1.9
247.20645	9.2
273.18649	2.7
291.19678	81.9
292.20038	8.4
297.53070	1.5
309.20724	100.0
310.21152	8.6
327.21790	33.6
328.22192	2.6
334.37329	1.5
379.11526	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	616.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.2
58.00471	3.7
59.01252	100.0
65.03831	9.6
71.01254	65.1
71.57201	2.8
72.99171	3.1
78.95783	4.8
81.03338	6.5
83.04903	5.4
85.02818	11.1
87.00780	3.1
89.02318	91.4
93.03337	13.4
95.01258	4.4
95.04895	6.3
101.02326	50.5
113.02341	24.0
118.89256	2.2
119.02569	3.7
119.03388	49.7
119.04972	2.6
131.03394	5.4
137.05992	4.3
143.03374	6.6
149.04538	4.6
154.08723	2.2
161.04469	4.4
179.05516	13.9
182.08177	3.6
253.25404	14.5
298.27536	14.9
298.30417	2.7
299.25952	6.8
301.03287	4.0
324.28998	5.6
333.40210	2.2
418.33215	12.0
436.34308	29.1
437.34723	4.0
454.35364	18.9
523.82196	2.6
616.40533	32.3
617.40948	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	615.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34602	0.6
59.01240	0.6
60.12637	0.7
63.54779	0.6
65.00195	1.1
85.52163	0.6
86.45810	0.6
89.02294	1.0
96.95914	0.7
98.19720	1.0
101.02322	1.0
107.01265	1.5
121.02781	0.8
125.02345	4.2
137.02415	0.8
139.54242	0.7
151.00270	3.7
161.04710	0.7
169.01314	4.6
178.99812	2.1
200.01143	0.9
214.99821	1.5
241.01494	0.7
242.99329	4.4
255.03023	1.8
258.01712	4.8
270.98865	52.9
271.02332	3.6
271.99304	4.0
283.99619	5.5
285.00391	14.4
286.01218	7.4
297.00281	1.2
298.98340	72.0
299.98932	9.2
300.02780	5.4
300.99805	2.8
301.03558	9.0
302.03757	0.8
310.98325	0.9
312.99896	22.3
313.05518	1.2
314.00684	51.2
315.01218	5.4
316.02170	0.9
322.36905	0.7
367.78232	0.7
439.49164	0.6
439.88586	0.7
463.08835	1.4
555.30066	0.8
580.71130	0.7
615.13605	100.0
616.13898	15.6
633.65820	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99433	1.5
63.43327	1.5
70.31590	2.3
70.31976	3.3
73.16296	1.3
91.83092	1.2
122.44589	1.5
125.02306	1.8
161.02385	3.0
177.01822	3.3
189.01910	6.6
205.01379	17.6
217.01372	3.1
231.02881	2.0
232.98679	2.7
233.00888	32.9
234.01198	2.0
239.50992	1.6
249.04097	2.7
261.00418	32.7
262.00809	3.6
273.00391	1.9
275.01996	2.7
288.02866	2.0
288.99927	93.7
290.00595	16.8
291.01486	15.5
303.01486	2.3
452.05960	10.3
453.06665	4.0
510.09869	1.5
601.08282	1.5
615.12024	100.0
616.12421	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	615.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69310	0.5
59.01256	5.5
61.98704	1.7
65.00198	0.9
67.01754	0.7
69.46661	2.4
69.47095	2.7
71.01257	2.9
72.99187	2.3
73.02824	1.2
81.68433	0.5
83.01263	1.2
85.02818	0.8
87.00750	1.2
88.98685	1.0
89.02299	1.4
95.01252	1.1
96.95898	1.7
96.96779	0.6
101.02308	2.1
107.01289	3.5
109.02823	0.8
111.00808	0.7
113.02332	1.2
120.99642	0.9
121.02831	2.9
123.00777	4.9
123.04368	0.8
124.01587	0.8
125.02346	8.4
130.11629	0.6
135.04405	0.9
136.01546	0.9
137.02339	8.0
139.00325	1.5
141.01859	0.6
149.02354	0.9
150.03152	1.4
151.00288	9.2
151.03922	1.4
152.00586	0.6
160.01514	0.7
160.03949	1.8
161.02356	0.9
163.00308	1.2
164.01068	1.4
165.01855	38.2
165.05496	2.1
166.02240	0.7
168.00581	1.2
169.01346	12.8
169.02760	0.8
170.01762	0.6
178.99828	3.4
179.03432	10.0
180.04208	23.1
187.11241	0.6
194.05794	1.4
195.02927	1.4
195.06567	30.9
196.06877	1.4
200.01120	0.7
201.05614	0.6
210.05260	4.7
216.00661	0.8
217.01344	0.7
225.07646	22.4
226.92909	0.7
227.03395	0.9
227.12863	0.8
242.99326	2.7
243.03030	1.4
244.00067	1.1
247.02348	0.8
255.03046	2.9
270.98846	20.3
271.02432	6.0
271.99246	2.7
272.99432	0.8
283.99741	0.8
289.00052	1.3
297.97589	1.2
298.98352	21.3
299.01822	1.3
299.99164	100.0
300.02655	12.7
300.99582	12.1
301.03522	17.1
302.03885	1.6
312.99988	1.3
313.05634	1.7
314.00681	15.1
314.07919	1.1
315.01465	90.2
316.01688	7.7
328.13235	2.2
329.02939	2.4
329.10464	1.7
330.03360	2.7
331.03641	2.4
341.10342	2.4
343.15451	0.7
344.12769	2.3
347.22406	0.8
359.15091	7.2
371.14957	4.4
387.09369	2.5
389.16180	0.8
393.22595	0.7
405.10349	1.9
444.03549	0.9
459.05777	2.3
463.08694	6.0
464.09268	0.8
477.06769	1.0
492.28333	0.7
493.18576	0.7
537.21106	2.6
555.27911	2.4
567.22321	14.9
568.22522	1.6
615.13263	55.7
615.23376	12.1
615.28479	1.8
616.13910	9.6
616.23090	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	615.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
61.23375	1.2
65.00195	2.3
71.01266	1.3
88.09673	1.2
88.43955	1.1
98.20660	2.8
107.01268	7.4
108.02060	1.3
121.02805	2.7
123.00778	1.8
125.02332	18.8
139.75812	1.2
148.01581	1.7
151.00282	17.4
163.00238	3.0
164.01045	2.3
169.01373	15.3
178.99799	7.4
193.01161	1.3
226.02701	2.9
227.03503	3.0
243.02957	12.0
254.02232	2.7
255.02971	33.2
256.03348	4.0
271.02472	71.2
272.03064	5.1
273.08136	1.9
283.02423	2.6
299.01889	3.4
300.02744	91.5
301.03470	42.6
313.05710	3.2
463.08817	60.0
464.09164	6.9
615.09888	100.0
616.10101	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	615.099
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	2.9
83.01244	1.8
98.20667	2.7
107.01270	5.5
121.02843	3.3
123.00750	3.4
125.02357	16.8
151.00305	13.1
163.00330	2.8
169.01353	19.5
178.99788	5.2
203.14180	1.4
226.02765	1.8
227.03418	3.5
243.02980	7.8
255.02939	22.8
271.02438	50.5
272.02939	3.8
283.02362	2.2
300.02740	100.0
301.03452	37.1
302.03745	1.9
313.05609	4.3
399.36240	1.8
463.08813	49.9
464.09045	5.2
494.99716	1.6
532.13135	1.6
615.09851	68.3
615.20038	3.3
616.10126	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	615.0993
Annotation	Quercetin 4'-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
51.56724	0.9
58.32362	1.0
63.02244	1.0
65.00185	2.1
69.03321	1.6
71.01264	1.2
71.44901	1.3
79.01777	1.3
83.01245	2.8
83.78752	1.1
84.30083	0.9
89.41936	0.9
93.03344	16.3
95.01247	2.6
97.02824	1.5
97.04024	1.3
101.02325	1.7
107.01270	9.0
108.02058	1.8
109.02811	2.0
111.00729	2.6
111.86119	1.1
113.02309	1.2
121.02807	4.1
123.00777	9.2
124.01548	3.9
125.02339	54.1
126.02650	1.5
136.98656	1.7
137.02332	23.4
138.02600	1.0
139.00204	4.5
140.01030	3.1
141.01826	1.6
148.01558	1.3
150.99156	1.2
151.00290	19.7
163.00191	1.8
165.01819	2.2
166.99722	3.8
168.00504	6.0
169.01338	70.7
170.01602	1.8
178.99785	9.6
187.03845	1.2
201.05432	3.1
225.07556	1.6
227.03282	3.0
243.02959	8.1
245.04442	2.4
254.02063	2.1
255.02956	23.6
256.03308	1.3
257.04578	1.2
271.02478	46.3
272.02921	5.2
273.04141	1.3
289.03476	4.5
299.01810	1.9
300.02753	77.0
301.03467	42.9
302.03842	3.2
313.02368	1.4
313.05676	18.4
313.77335	1.1
341.25262	1.1
359.55032	1.0
401.38867	1.1
445.07156	1.3
463.08505	24.4
464.09030	3.9
473.66321	1.0
615.09796	100.0
616.10022	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	615.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.56617	0.3
61.78189	0.2
63.02268	3.4
65.00192	5.4
67.59257	0.3
83.01264	3.8
89.13138	0.2
93.03333	1.3
95.01266	0.5
98.20627	0.7
107.01273	11.6
109.02833	2.3
121.02846	8.5
122.03226	0.3
123.00780	0.5
125.02347	0.7
135.00783	0.4
139.03888	0.6
148.01614	0.4
149.02365	1.4
151.00275	34.9
151.34496	0.3
152.00638	0.9
159.04333	0.5
163.00279	1.9
163.03886	0.4
164.01051	0.6
169.01350	2.4
175.03978	0.6
178.99788	13.7
180.00150	0.4
183.04454	0.5
187.03960	0.6
193.01392	0.6
201.05495	0.8
211.03967	1.0
227.03442	0.8
229.04990	1.5
230.19286	0.4
239.03384	0.4
240.04279	0.3
243.02924	0.6
245.04509	2.1
255.02954	2.3
256.03619	0.5
257.04547	0.3
271.02451	1.3
272.02817	0.5
273.04102	2.2
283.02567	0.7
300.02692	1.6
301.03519	100.0
302.03857	7.9
313.05655	1.5
343.03574	0.3
395.46606	0.3
425.34567	0.3
463.08969	1.4
615.10040	2.2
616.10608	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.4
63.02260	1.5
65.00185	2.4
67.01757	0.6
71.01238	0.4
71.48852	0.4
73.57549	0.3
77.06110	0.4
83.01253	2.1
93.03327	1.9
95.01247	0.9
98.20671	0.5
107.00603	0.7
107.01268	5.5
108.02100	0.5
109.02833	0.8
111.00771	4.7
111.16998	0.4
117.03306	0.4
121.02840	3.3
123.00774	2.6
124.01538	0.4
125.02345	2.8
131.04984	0.5
133.02802	0.4
135.00752	0.5
137.02277	0.6
139.00266	6.2
140.00940	0.4
141.01823	0.5
143.04893	0.6
149.02333	1.0
151.00273	17.3
152.00735	0.6
155.04938	0.4
159.04387	1.2
163.00223	1.7
164.01044	0.8
165.99063	0.7
166.98416	0.7
166.99777	10.8
168.00439	0.8
169.01312	4.4
171.04451	0.7
173.05966	0.4
178.99800	7.7
183.04408	1.5
185.00868	1.5
185.05998	1.0
186.37839	0.4
187.03894	1.3
193.01385	0.5
193.48955	0.4
199.03966	0.7
201.05505	2.5
203.03436	0.5
211.03935	2.0
213.05531	0.4
216.04265	0.4
217.04973	0.5
226.02672	0.4
227.03433	3.5
228.03981	0.9
229.05031	4.2
230.69893	0.6
239.03413	1.5
243.02960	2.2
244.03510	0.9
245.04527	2.6
255.02960	10.9
256.03476	1.0
257.04565	2.4
271.02484	9.0
271.05444	0.5
272.02869	1.4
273.03967	1.6
283.02435	4.6
284.03223	3.2
285.04044	17.5
286.04425	1.9
300.00076	0.3
300.02725	18.5
301.03516	100.0
302.03854	7.7
313.05652	3.4
329.05106	0.6
447.09338	4.2
463.08789	18.7
464.09045	1.9
511.58945	0.4
534.46344	0.4
540.91815	0.4
597.57654	0.4
615.10028	5.4
616.10168	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22342	0.3
63.02269	2.9
65.00198	8.1
69.39168	3.1
83.01260	4.8
93.03329	1.9
95.01260	0.5
98.19800	0.5
100.52847	0.4
107.01270	14.9
109.02844	1.7
111.00773	0.6
121.02844	11.6
122.03210	0.5
123.00750	1.1
125.02354	3.3
138.66116	0.5
139.00249	0.8
139.03888	0.8
149.02359	1.6
151.00275	51.4
152.00638	1.6
159.04422	0.8
161.02318	0.6
163.00264	1.4
163.03893	0.6
164.01038	0.7
166.99783	1.1
169.01343	6.6
175.03908	0.5
178.99780	22.5
180.00134	0.9
187.04051	0.8
189.35574	0.4
192.00656	0.5
192.61838	0.4
193.01335	0.6
199.03935	0.5
203.03308	0.5
205.05055	0.5
211.03943	1.3
220.98592	0.4
227.03535	0.6
229.05003	1.6
231.65916	0.4
243.03075	0.9
245.04475	1.7
255.03004	2.6
256.03348	0.5
257.04626	0.6
271.02420	2.6
272.02899	0.7
273.04105	3.1
283.02524	0.7
299.01828	0.7
300.02750	4.6
301.03522	100.0
302.03918	6.6
313.05704	4.6
418.48587	0.4
463.08765	1.3
591.21356	0.5
615.10052	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	615.0632
Annotation	Phyllanemblinin A
Peak:m/z	Relative Intensity
54.40007	1.3
66.97141	1.5
71.01286	1.6
71.57159	2.2
71.57597	1.6
96.95898	2.6
107.01273	2.2
123.00760	2.6
125.02337	12.8
151.00279	1.7
166.99777	1.8
169.01360	15.9
170.01682	2.5
172.23633	1.5
181.31601	1.6
201.01849	2.6
216.00374	1.6
229.01363	4.7
257.00803	2.7
275.01910	6.6
283.99744	2.3
299.99060	18.3
300.99896	100.0
302.00128	8.8
313.05606	4.0
389.74869	1.6
445.03525	3.3
447.04739	2.0
463.05179	25.7
464.05487	3.0
615.05847	31.6
615.14020	2.3
616.06665	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	615.0631
Annotation	Phyllanemblinin A
Peak:m/z	Relative Intensity
69.38460	2.5
69.38889	1.5
71.01277	0.4
96.95932	0.6
98.19843	0.8
107.01306	1.8
110.88645	0.4
121.56361	0.4
123.00821	1.1
125.02349	5.4
126.02737	0.5
145.02869	0.9
147.04451	0.5
151.00296	0.6
151.48166	0.4
158.73695	0.4
160.01595	0.6
160.61996	0.4
161.02397	0.6
164.01199	0.5
166.99852	0.5
169.01349	6.1
172.01575	0.9
173.02394	1.2
175.03972	0.7
185.02386	1.4
200.01137	1.3
201.01917	1.4
207.87637	0.4
214.79486	0.4
216.00616	1.5
217.01384	0.5
228.00586	0.8
229.01404	2.9
244.00137	1.8
245.00813	1.5
249.03999	0.5
257.00970	1.8
258.01431	0.5
270.98941	0.7
271.02328	0.7
271.99640	1.8
273.00439	0.7
275.02026	1.7
276.97339	0.4
282.98801	1.0
283.99728	2.2
298.98416	1.0
299.99149	35.3
300.02570	1.8
300.99896	100.0
302.00223	8.2
313.05859	0.6
423.88663	0.5
445.04205	0.8
463.05133	29.0
464.05557	2.2
507.44574	0.4
551.49866	0.4
615.06226	42.8
616.06635	7.5
625.79987	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70735	0.5
59.01237	2.5
60.98886	0.7
60.99177	9.1
61.41557	0.5
71.01249	2.3
71.57787	1.0
72.99183	0.7
73.02817	1.2
73.75731	0.6
82.98705	0.5
85.02828	1.3
88.98679	62.0
95.01273	1.3
97.02813	0.9
98.80300	0.6
101.02303	1.3
103.30659	0.6
107.01262	2.0
109.02876	0.5
111.00751	1.6
113.02368	1.2
123.00770	10.5
124.01558	0.9
125.02324	10.0
139.00322	2.8
140.01025	1.8
141.01804	1.2
146.69460	0.6
151.00266	9.4
163.03955	1.0
165.01695	0.6
168.00522	2.6
169.01346	17.2
170.01675	0.9
270.98856	0.5
271.04700	0.8
298.98465	0.6
313.05634	1.2
314.23834	0.6
379.70911	0.6
385.07745	0.7
523.21826	100.0
524.22119	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	613.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50233	1.0
57.03315	2.3
59.01257	3.0
65.03848	2.0
69.03342	2.1
71.33492	1.6
73.02862	1.1
81.03349	1.1
93.06967	3.1
97.02830	1.5
97.06490	1.7
99.08050	1.7
106.02830	1.0
109.66765	1.1
111.08065	1.4
115.07555	1.5
121.10135	13.5
123.04426	2.9
125.09629	4.2
127.11190	2.6
129.09036	1.2
135.08075	1.9
137.05072	1.3
137.05952	6.7
137.06845	1.0
138.78278	1.0
141.05467	2.1
141.09067	1.9
143.07095	1.2
153.09122	6.8
155.07045	7.8
155.10698	13.8
163.11191	4.8
165.09134	25.6
165.12785	7.6
167.10710	19.2
168.11266	1.1
171.10182	18.6
172.10468	1.3
181.12320	2.2
183.13858	2.5
183.80037	1.1
185.11732	7.1
191.14349	4.6
193.15952	2.4
197.11801	4.3
207.10204	2.6
209.11772	4.8
211.13350	2.0
225.11372	2.5
245.19089	14.3
247.20676	8.6
271.17145	1.2
273.18634	2.5
289.18124	41.9
290.18546	3.4
291.19675	80.6
292.19980	6.7
307.19168	46.8
308.19391	3.6
309.20724	100.0
310.13400	1.1
310.21048	9.4
325.20154	16.8
326.20676	1.4
327.21765	30.4
327.25397	2.1
328.22174	2.7
352.00885	1.1
427.25360	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	613.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89373	0.8
59.01239	3.2
65.00204	1.4
70.01778	0.8
71.01252	1.6
71.57871	1.2
83.01244	1.5
84.42350	0.8
89.02299	1.2
90.76535	0.8
93.03318	2.4
95.01292	1.6
96.95913	1.3
107.01270	5.9
108.02037	2.4
109.02819	1.4
111.00763	1.0
121.02850	3.0
123.00774	2.5
124.01562	1.3
125.02348	7.7
132.93591	1.0
135.00873	0.9
135.04376	1.5
137.02377	3.3
139.35995	0.8
140.01006	1.3
148.01547	2.3
151.00252	11.4
153.01828	1.8
156.98161	0.9
161.02420	1.4
163.00316	2.3
163.04024	0.9
164.22974	0.8
165.01859	1.5
166.99794	1.1
168.00598	1.4
169.01344	12.6
178.99803	5.1
183.04474	1.1
187.03857	1.5
189.01944	0.8
190.02632	2.3
190.99820	2.3
191.03357	0.9
197.02814	0.9
199.03973	1.1
201.01875	2.1
203.03418	1.7
206.02267	1.1
215.03407	1.1
218.02197	2.8
226.02658	1.9
227.03369	4.2
229.01343	2.9
243.02972	15.7
244.03407	1.6
245.04504	1.8
254.02205	2.4
255.02975	29.9
256.03394	2.9
257.00851	2.4
271.02469	65.6
272.02853	7.5
273.00494	0.8
274.01199	10.1
275.01974	13.7
283.02487	1.2
289.03589	1.0
297.06256	1.3
299.01920	5.3
300.02737	100.0
300.99957	2.9
301.03448	39.2
301.06964	2.0
302.03735	1.4
314.04343	1.3
315.05127	2.0
435.81946	0.9
437.07346	7.0
463.02808	1.2
463.08957	14.3
464.09039	1.4
477.09799	1.0
481.07660	2.3
613.11963	67.9
614.12213	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	613.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.5
58.32924	0.4
59.01248	5.6
61.98698	2.4
71.01263	3.0
72.99160	0.5
73.02814	0.8
78.90374	0.4
79.48877	0.5
85.02821	0.8
89.02318	2.1
90.80980	0.4
96.95876	1.1
98.20526	1.4
100.20620	0.5
101.02309	1.9
113.02348	1.4
119.03385	1.2
121.46500	0.4
123.00749	0.7
125.02332	2.1
132.02080	0.6
138.53929	0.5
139.00319	0.4
140.01074	0.5
151.00237	0.8
160.01611	1.1
161.04446	0.7
166.40807	0.5
169.01309	2.4
171.10155	0.9
172.01572	2.1
173.02324	0.8
185.02405	1.2
185.11769	2.0
188.01059	0.9
188.74094	0.4
197.11800	1.1
200.01120	2.3
201.01865	1.0
209.11813	2.0
216.00555	3.8
223.13248	0.7
226.99780	1.2
228.00612	1.4
229.01387	1.8
229.77328	0.5
242.99324	2.3
244.00121	3.2
245.00682	0.6
257.00861	1.2
270.98798	2.4
271.02292	0.5
271.99487	2.0
282.98874	1.7
283.99652	1.3
298.98349	1.4
299.01520	0.6
299.99109	100.0
300.99838	51.6
302.00232	4.1
391.28574	1.9
441.33044	0.4
445.04150	1.4
463.05072	2.2
553.31860	0.5
613.15613	54.4
613.31958	3.7
613.39740	2.4
614.15942	10.1
614.32727	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16755	0.4
59.01251	4.2
60.99204	0.9
61.98721	1.0
62.78834	0.4
68.86781	0.5
71.01262	2.3
72.99216	0.9
73.02840	0.5
85.02863	1.2
87.00779	0.6
88.98685	5.3
89.02374	1.5
89.67235	0.5
91.00271	0.6
95.01298	0.5
96.95889	2.0
97.28954	0.4
101.02387	1.0
107.01305	1.3
111.00794	0.5
113.02383	0.7
123.00795	2.3
125.02336	6.4
137.02367	0.7
139.00298	0.8
139.03905	0.5
140.01140	0.5
151.00330	1.1
155.07130	0.5
161.02493	0.6
163.30519	0.4
165.01843	0.6
165.05530	0.6
168.00574	0.7
169.01360	7.0
181.86617	0.4
187.11266	0.5
191.34952	0.4
195.06627	0.8
225.07765	0.5
242.99268	2.0
243.89641	0.5
269.97971	0.4
270.98843	39.0
271.99124	2.4
283.04639	2.5
285.00473	0.9
286.01016	0.9
298.98340	52.2
299.98801	5.2
300.02438	0.9
300.99896	0.8
301.03235	0.8
312.99982	2.8
314.00696	64.5
315.01120	7.9
329.03018	100.0
330.03336	9.7
331.06790	0.5
344.68958	0.5
447.05505	1.1
451.30762	0.7
455.97540	0.4
523.22003	0.6
613.08124	4.7
613.26361	2.2
614.08765	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	4.2
64.99394	1.7
71.05040	4.3
93.00108	1.6
109.06495	3.1
121.10117	29.6
123.04387	3.7
125.09634	4.8
135.08031	2.1
137.05977	6.5
137.09625	4.3
141.05476	5.6
141.08165	2.3
141.12726	3.1
153.08208	1.7
153.09169	16.5
155.07072	11.1
163.11212	7.9
165.09158	23.7
171.10170	17.9
175.20683	1.9
185.11760	7.9
191.14410	9.4
197.11784	4.3
207.10202	3.0
209.11725	9.4
225.11382	4.6
232.20576	2.0
245.19118	21.4
263.20145	2.0
271.17120	3.6
284.97665	1.8
289.18115	94.7
290.18427	8.6
307.19168	100.0
308.19562	7.8
325.20197	32.9
325.23724	3.3
326.20776	2.1
427.24915	3.5
445.25836	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	611.359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.9
59.01265	3.2
67.05389	1.5
68.43293	1.4
71.04903	2.1
71.14181	3.3
71.14553	1.8
71.50286	1.4
81.03339	2.3
89.80082	1.4
93.06987	1.5
93.27060	1.7
95.04913	2.4
97.02850	4.0
97.06463	3.0
99.04402	3.1
102.47868	1.5
106.04149	2.3
106.22984	1.5
109.06513	2.4
111.08039	1.9
111.21394	1.4
121.10126	25.9
121.72243	1.7
123.04416	4.2
123.08061	1.8
125.05977	1.6
125.09620	8.8
132.38460	1.3
133.96843	1.6
135.08064	4.0
137.05992	4.4
137.09642	4.6
141.05493	4.3
142.02699	1.6
153.09103	13.2
155.07051	10.0
163.11182	6.5
165.09129	39.4
165.12743	2.1
166.09485	2.3
171.10194	17.7
185.11740	9.5
191.14337	10.3
197.11815	2.5
207.10286	4.4
209.11777	10.7
211.13300	1.9
217.15887	2.5
225.11218	4.0
232.70940	1.6
245.19095	24.5
246.19322	1.7
271.17010	2.8
289.14786	3.5
289.18106	95.1
290.18478	8.0
307.19159	100.0
308.19507	11.9
325.20203	30.6
326.20804	4.1
331.18912	2.2
409.23822	2.0
427.24738	3.0
443.73102	1.8
445.25937	2.3
593.35809	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62331	1.2
50.76721	1.1
57.13010	1.1
59.01250	2.0
71.01244	1.3
78.95778	73.0
79.95612	4.2
80.98818	1.3
96.95890	84.0
96.96844	100.0
98.02366	2.1
98.90547	1.6
113.92503	1.5
118.96479	1.5
120.23419	1.2
224.94142	1.2
253.09401	2.0
277.21719	14.6
278.21939	1.9
291.04080	1.6
333.05148	2.2
335.03128	1.5
351.06021	4.6
617.32013	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	2.0
57.48114	1.8
59.01251	100.0
67.41363	2.1
71.01254	41.0
71.57324	3.9
72.99186	2.9
73.02816	11.7
83.01251	3.9
85.00038	2.1
85.02823	19.2
89.02328	14.6
95.01275	4.4
96.95930	3.4
99.00750	4.8
101.02316	26.6
107.01256	1.9
113.02341	20.3
119.03343	2.9
123.00752	2.9
125.02328	3.5
143.03444	3.7
148.01677	2.0
149.71101	2.0
159.02835	2.5
161.04460	21.9
169.01299	7.5
179.05470	3.7
187.87135	2.1
227.16431	3.9
237.04546	2.3
244.47218	2.1
257.00903	2.7
277.16129	2.2
300.99863	8.3
367.09616	2.1
380.16638	2.1
389.21835	26.3
463.05066	3.9
551.27118	58.9
552.27686	11.2
611.21576	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	611.235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51455	0.3
59.01254	100.0
60.01597	0.8
63.03286	0.3
69.03339	0.3
71.01270	0.4
89.02319	0.4
96.95884	0.5
109.92264	0.3
123.00768	0.3
124.69606	0.3
125.02366	1.6
134.03638	0.3
142.62062	0.3
161.04482	0.4
163.00323	0.4
169.01340	1.6
175.03972	0.4
221.06635	0.4
270.09064	0.7
285.11420	1.0
286.08411	0.4
299.09381	0.5
300.99930	1.1
311.09470	0.4
314.08084	0.5
325.11026	0.7
325.14926	0.3
326.08008	0.6
329.10382	2.8
341.10266	4.1
344.12662	6.0
345.13284	0.7
356.12689	2.1
357.13150	0.3
359.15009	15.3
360.15204	1.6
371.14999	10.4
372.15155	1.4
447.35339	0.3
521.81403	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26508	1.7
57.26876	1.7
59.01252	8.2
60.99176	18.1
69.03333	2.8
69.30074	19.0
71.01254	6.6
88.98684	83.5
89.02305	2.9
93.03317	2.0
95.01299	2.9
101.02351	2.3
107.01273	5.7
115.48613	2.3
117.28604	1.9
123.00772	7.4
124.01546	2.2
125.02336	27.7
129.45410	1.8
133.02844	3.5
135.04398	5.4
139.00269	3.7
140.01079	2.3
151.00266	5.7
151.03885	2.0
161.02348	8.0
162.02713	7.0
163.02937	3.1
163.80487	2.2
167.03291	1.9
167.84428	1.9
168.00539	11.1
169.01343	46.0
169.02765	2.8
179.03404	3.1
211.02420	50.9
227.03340	5.6
229.05009	2.0
255.02951	9.7
256.03409	3.1
271.04593	100.0
272.04971	8.1
284.03333	6.2
285.03946	25.6
286.04355	16.4
287.04617	10.5
300.99991	3.8
301.99887	2.3
323.07663	6.6
324.07907	4.1
325.08136	8.2
331.06741	30.0
384.04749	2.9
384.27737	2.2
466.48502	1.9
486.02219	2.5
521.20331	42.9
522.20367	5.8
534.52069	2.2
548.69482	2.6
584.08801	2.4
593.11652	3.2
611.11841	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	611.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60337	1.8
57.06063	1.8
59.01244	9.7
60.99185	16.0
61.30669	1.8
69.23733	2.3
69.24049	25.5
70.49496	2.2
71.01253	6.1
75.00757	3.4
83.01271	2.8
85.02758	3.0
88.98682	86.3
89.02317	4.0
92.28729	1.8
93.03323	2.4
95.01273	3.3
96.95879	4.0
101.02340	4.2
104.61901	2.1
107.01280	6.7
109.02785	2.1
121.02850	7.6
123.00761	6.9
124.01516	2.6
125.02336	33.5
133.02846	7.0
134.03191	2.2
135.04381	13.6
136.04744	3.9
136.98723	2.3
137.02364	2.5
139.00261	5.3
140.01010	2.7
145.02910	2.3
150.06313	2.1
151.00290	6.4
155.51097	2.3
159.04298	2.1
161.02351	27.7
162.02707	11.0
163.00352	3.2
163.02765	2.6
165.01797	2.3
168.00557	13.2
169.01343	44.7
170.01665	2.5
179.03412	8.6
180.03696	2.9
187.03979	2.7
211.02428	53.4
212.02673	3.5
227.03468	15.0
228.03806	6.0
229.05078	4.6
255.02986	28.4
256.03394	6.1
257.03928	7.6
271.04611	100.0
272.04901	6.7
272.80923	2.2
284.03308	25.6
285.00977	4.6
285.04013	73.3
286.04306	33.9
287.04587	26.0
289.07135	3.5
300.99939	4.8
323.07620	11.7
324.08047	12.0
325.08267	9.3
331.06720	26.7
332.07199	2.5
431.71466	2.1
447.09036	3.7
449.09943	2.9
489.10416	7.9
490.10425	2.2
521.20270	48.0
522.20532	4.6
546.24023	2.3
593.12915	5.8
611.13098	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	609.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	5.9
66.70686	3.2
71.57075	3.6
71.57509	5.7
77.53900	3.5
92.78282	3.3
97.72140	3.1
99.08018	4.1
128.25310	3.4
139.07529	12.7
153.76245	3.9
157.07385	6.8
157.08620	100.0
158.08929	5.3
167.10704	35.2
215.20206	3.6
215.83656	3.9
246.59569	3.4
300.02771	4.2
333.99881	3.3
337.14114	3.5
534.76898	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	609.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32999	2.9
71.05981	11.3
80.24868	3.4
83.04920	6.1
97.06458	4.1
106.28968	3.9
107.04897	5.8
109.06525	4.4
121.10114	6.5
125.02396	3.9
125.05933	4.6
125.09617	12.5
129.87402	3.6
130.18321	3.6
135.08093	6.6
145.51974	3.9
153.09119	9.3
155.07083	5.7
163.11255	6.8
165.09143	29.1
185.11702	7.0
193.98830	3.8
194.81783	3.3
197.11797	13.3
207.10237	7.7
209.09940	2.9
209.11771	85.2
216.74283	3.6
224.82652	3.6
225.11351	11.5
245.22842	8.6
261.18643	4.2
271.20834	3.8
279.19684	4.4
287.16501	7.1
289.21695	5.0
305.17584	100.0
306.17935	13.2
320.78378	3.6
323.18582	41.9
324.18961	5.1
425.23303	8.8
443.24435	5.0
609.34711	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	609.146
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02272	0.8
65.00194	1.0
71.01627	1.0
71.08725	0.5
83.01241	0.6
107.01301	2.4
108.02081	0.9
109.02818	1.4
121.02819	1.6
148.01619	0.9
151.00278	12.0
151.01509	0.7
163.00296	2.1
178.99800	6.9
211.03925	1.2
226.02704	1.2
227.03572	2.4
229.05014	0.9
243.02972	9.5
244.03517	1.0
245.04567	0.7
254.02287	1.2
255.02977	25.6
256.03360	1.4
271.02481	47.8
272.02948	6.0
273.03949	1.6
283.02454	1.6
299.02011	1.0
300.02747	100.0
301.03467	44.5
302.03787	2.5
312.77512	0.5
343.04446	1.0
348.12756	0.5
527.77783	0.7
571.74969	0.6
609.14600	83.8
610.14911	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.8
55.41850	0.6
57.03307	2.6
58.00455	1.5
59.01252	34.3
60.01583	0.7
60.99177	1.6
61.98713	3.4
62.56905	0.6
63.02268	1.3
64.02229	0.6
65.00198	1.5
66.53317	0.6
67.01753	0.7
68.99675	0.7
71.01257	26.2
72.93099	0.6
72.99171	2.6
73.02824	6.3
75.00754	1.4
83.01257	5.7
83.04901	0.8
85.02830	9.2
85.99975	0.7
87.00739	2.4
88.98684	10.9
89.02325	12.2
93.03326	1.6
95.01250	2.5
96.95884	1.5
97.02840	0.7
98.20547	1.8
99.00734	2.0
101.02323	18.4
107.01297	3.9
108.02090	0.6
109.02815	1.5
109.43279	0.6
111.00780	1.5
113.02336	8.8
116.92715	0.6
119.03384	2.8
119.04902	3.5
121.02831	2.5
123.00767	1.6
125.02327	5.9
130.58606	0.6
134.03702	1.2
135.04427	0.7
139.00220	1.0
143.03333	0.8
145.02847	1.5
149.02344	1.1
150.03110	1.1
151.00290	12.9
161.02319	1.9
161.04364	1.3
163.00293	1.4
169.01376	5.6
170.01791	0.7
177.01797	1.3
178.99799	3.5
193.04909	1.2
195.06503	0.8
199.03882	0.7
209.11784	0.9
211.02357	1.0
212.09723	0.7
217.01251	0.8
227.03471	2.1
228.03809	0.8
243.02904	2.8
255.03009	7.1
256.03473	1.5
257.04510	0.8
271.02432	12.6
271.06073	5.6
272.02841	2.3
272.06512	0.9
284.03223	1.3
285.03943	1.9
285.20648	2.8
299.02090	3.9
299.99496	0.8
300.02716	19.1
301.00150	1.1
301.03482	20.8
302.03943	2.0
313.03421	1.8
315.04984	1.5
341.02893	1.0
415.06680	1.0
429.24823	3.5
433.07858	1.9
447.07178	5.2
447.25977	21.0
448.26187	2.9
463.08554	2.5
486.18311	0.8
501.27237	0.8
519.18665	2.4
565.35706	1.8
591.30371	0.9
609.12781	7.2
609.31128	100.0
610.12408	2.0
610.31622	15.8
610.40680	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76941	0.7
51.00601	0.7
52.78204	0.7
59.01244	1.9
65.00209	2.1
71.01266	1.1
72.99243	0.6
76.01774	0.7
79.01749	0.6
80.51633	0.7
81.31527	0.7
83.01273	1.9
89.02306	0.8
93.03361	1.5
95.01302	2.2
96.95903	1.1
101.02332	0.7
107.01286	2.2
108.02089	1.2
109.02814	1.0
109.99989	2.9
111.00792	2.1
113.02297	0.7
117.03391	1.2
119.04937	0.9
121.02855	1.6
123.00779	2.7
123.04428	0.6
124.01550	1.5
125.02329	3.4
135.00807	1.9
136.98679	1.0
137.02357	0.8
139.00272	2.7
145.02870	1.6
149.02327	1.3
149.06006	2.1
151.00282	7.7
152.01074	1.5
153.01843	1.2
159.04442	2.1
161.02534	0.9
163.00294	2.6
163.04012	0.8
164.01196	0.7
165.99001	2.7
166.99768	3.0
168.00476	1.1
169.01355	4.2
171.04478	2.5
173.02364	0.8
173.06006	0.7
175.03886	1.0
177.05469	4.4
178.99783	3.4
180.52452	0.8
181.01440	0.8
183.04510	2.1
187.03946	1.9
191.03456	1.1
192.00603	0.8
198.03197	1.5
199.03940	2.1
200.04665	1.2
201.05504	1.1
203.03296	1.0
206.99283	0.8
211.03984	3.3
215.03423	1.9
216.04124	1.2
217.05101	0.9
221.04536	2.6
226.02702	2.0
227.03464	7.0
228.04129	1.2
229.01385	1.1
229.05101	2.0
239.03563	1.4
243.02966	10.1
244.03694	1.0
245.04582	1.7
253.20000	0.9
254.02304	2.6
255.02983	26.2
256.03458	2.5
257.01047	0.9
257.04547	3.4
265.03516	8.8
271.02469	30.4
272.03204	8.5
273.04001	1.3
282.01923	1.6
283.02438	12.2
284.03107	1.3
285.04141	3.2
298.98746	0.9
299.02063	2.6
299.99225	10.1
300.02832	46.8
300.99957	18.1
301.03577	44.3
302.00708	1.2
302.03955	3.3
343.04599	1.1
429.08508	2.0
444.70795	0.8
463.04947	1.4
489.13000	1.5
516.20667	0.7
565.15881	2.8
585.93597	0.8
591.13892	2.9
609.14868	100.0
610.15149	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	609.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18198	0.9
63.02252	1.2
65.00167	1.0
66.73652	0.8
83.01250	1.3
93.03319	1.2
107.01275	3.1
109.02796	1.7
117.03381	0.9
133.02859	12.8
135.04420	22.1
137.02307	1.1
140.43153	0.9
145.02847	1.6
149.05939	1.3
151.00262	5.9
156.48544	0.9
161.02350	37.6
162.02724	1.6
163.00299	2.2
165.10321	0.8
169.01382	1.4
171.04468	1.1
177.05383	1.8
178.99796	1.0
179.03410	11.8
181.96364	0.9
185.05942	2.4
187.03951	2.2
189.05409	1.0
195.04463	1.1
199.03984	1.1
203.03365	1.3
211.03896	2.9
213.05502	2.3
215.03340	0.9
221.04489	3.4
227.03461	19.7
229.05103	6.0
239.03511	1.0
255.02962	36.5
256.03470	4.7
257.04529	5.7
271.02484	8.1
280.05606	1.1
284.03247	29.9
285.04037	82.9
286.04391	5.3
295.20221	1.0
300.02771	15.6
301.03555	7.4
323.07721	29.1
324.08014	3.1
447.09274	5.7
463.08777	11.9
464.08932	2.6
609.12451	100.0
610.12891	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	609.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57951	0.8
59.01263	4.2
60.99148	0.9
61.98683	1.4
63.02260	1.1
65.00195	2.7
67.85670	0.8
69.27422	5.8
69.27847	2.9
71.01242	2.7
83.01263	2.2
84.94963	1.0
86.02342	1.0
87.00763	3.2
88.98682	8.4
89.02312	1.5
96.95887	1.3
98.20502	1.6
101.02300	1.7
104.74780	0.8
107.01274	4.1
108.02035	2.2
117.03284	1.0
121.02818	2.1
123.00776	1.6
125.02316	3.7
135.04393	2.1
138.37386	0.8
139.00276	0.9
145.02840	3.0
148.01561	2.1
151.00276	12.8
153.01746	0.8
161.02411	1.6
163.00276	1.8
164.00984	1.9
169.01350	6.1
175.03926	0.9
178.99792	6.6
185.06039	0.7
187.03906	1.0
187.11118	1.2
199.03964	1.3
205.12367	0.9
211.03920	1.4
215.03371	1.7
226.02673	1.7
227.03401	4.2
243.02951	13.1
245.04541	1.1
254.02078	2.1
255.00250	1.1
255.02962	30.8
256.03357	3.5
271.02466	61.4
272.02896	6.8
273.03998	1.6
283.02448	2.0
284.03101	1.5
285.04025	5.8
299.01855	2.1
300.02737	100.0
301.03458	49.0
302.03778	3.7
323.07745	1.4
341.02884	6.1
360.89093	0.8
394.68445	0.7
407.97958	0.7
463.08817	60.2
464.09140	6.3
472.54987	1.0
503.08533	1.6
609.12366	40.9
609.24652	2.3
610.12683	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	609.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25770	0.3
59.01260	1.3
63.02265	1.6
65.00199	1.1
66.07253	0.3
69.03356	0.3
69.52506	0.6
69.52928	1.8
70.96286	0.3
71.01249	2.0
83.01257	1.7
85.02820	0.5
87.00717	0.3
93.03351	1.5
95.01271	0.6
97.02858	0.4
98.19872	0.5
99.10686	0.3
101.02354	1.5
107.01269	3.9
107.04913	0.4
109.02852	1.6
113.02328	1.1
114.31827	0.3
117.03339	1.0
121.02838	0.4
121.46095	0.3
123.00734	0.6
123.04398	0.5
125.02351	0.7
131.04922	0.5
132.02078	1.2
133.02850	16.5
134.03708	1.5
135.00783	1.1
135.04417	25.2
136.04735	0.8
137.02344	0.8
143.04929	0.9
145.02817	0.4
145.06560	0.3
145.75407	0.3
147.04384	0.6
149.05997	0.8
151.00270	4.4
153.01836	0.4
158.03624	0.4
159.04427	1.3
161.02354	53.0
162.02733	1.8
163.00258	1.9
164.00996	0.6
165.01880	0.5
167.04906	0.6
169.01349	1.6
169.06462	0.8
171.04445	0.9
173.05934	0.4
174.03136	0.3
175.03954	0.5
177.05539	1.1
179.03421	14.1
180.03784	0.7
183.04407	0.7
185.06065	2.1
187.03952	2.1
189.05492	1.2
190.99814	0.4
195.04399	0.7
197.06070	0.8
199.03928	1.0
201.05530	0.7
203.03539	0.6
211.03889	1.7
211.13335	0.6
212.04494	0.4
213.05424	1.7
214.02568	0.4
215.03418	0.4
221.04448	0.8
223.04016	0.3
227.03455	15.6
228.03816	1.1
229.05005	8.8
230.05386	0.4
239.03386	1.5
240.04205	1.1
241.04956	1.5
243.02974	0.3
251.05550	0.3
255.02960	24.3
256.03622	3.6
257.04529	6.0
258.04929	0.7
263.05594	0.4
267.03027	0.5
283.02481	0.7
284.03262	24.4
285.04028	100.0
286.04395	8.7
301.03296	0.3
323.07715	37.8
324.08032	3.4
417.56171	0.3
447.09235	3.6
525.26788	0.3
561.98364	0.3
609.12415	40.3
610.12769	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	609.1249
Annotation	56343-26-1
Peak:m/z	Relative Intensity
54.65406	0.7
58.50759	0.6
59.01252	2.0
59.31974	0.7
63.02261	1.3
65.19966	0.7
69.38122	2.6
69.38546	3.5
71.01272	0.7
83.01312	1.0
89.02298	0.8
89.06663	0.6
93.03365	0.8
96.95867	0.7
102.79417	0.6
107.01283	3.0
108.02054	1.8
109.02855	1.1
117.03389	0.7
118.75982	0.7
119.04971	1.3
119.52666	0.8
121.02876	1.5
123.00783	0.9
125.02365	1.7
133.02847	0.7
135.00822	1.2
145.02869	3.4
148.01549	1.9
151.00266	12.0
161.02386	0.9
163.00288	2.5
169.01344	3.0
178.99777	5.7
187.03874	0.9
197.04523	0.8
211.03990	1.0
216.04245	0.8
226.02644	1.6
227.03439	3.1
243.02969	9.8
244.03648	0.8
245.04541	1.0
254.02217	1.3
255.00229	1.1
255.02969	27.2
256.03320	2.1
271.02472	57.9
272.02997	6.1
277.80814	0.7
283.02536	1.3
285.04028	5.6
299.01950	1.1
300.02737	100.0
300.99954	1.4
301.03458	43.1
302.03867	2.7
445.09857	1.2
463.08844	69.2
464.09143	6.1
609.12408	45.4
610.12988	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	607.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04157	0.6
57.03317	1.1
59.01247	3.6
61.98702	2.1
67.01765	1.0
68.99696	1.1
69.03316	1.3
69.32068	0.5
70.19641	0.5
71.01261	3.3
71.22066	1.1
72.99194	1.3
73.02818	0.8
78.95781	1.0
79.01782	1.5
81.03350	0.6
83.01271	1.3
83.04887	1.8
85.02852	1.0
87.00760	0.7
88.98688	0.8
93.03346	0.7
95.01293	2.2
95.04931	0.7
96.95905	0.9
97.02845	0.6
101.02341	1.5
107.01276	12.3
107.01959	1.0
109.02857	0.7
110.00025	0.6
111.00772	5.7
111.08074	1.2
113.02338	1.3
123.00784	14.2
124.01609	4.2
125.02348	47.1
126.02687	1.7
127.00303	1.8
136.98676	3.5
137.02348	1.2
137.05997	1.9
138.03209	0.8
139.00284	6.1
140.01071	7.8
141.01859	2.3
149.02332	1.1
151.00293	12.1
152.00842	0.6
155.07059	8.1
156.07407	0.6
161.04504	0.7
162.03117	0.7
163.03963	0.7
166.99785	3.3
167.03444	1.1
168.00580	9.1
169.01358	71.0
170.01692	2.2
193.01361	2.8
195.06601	1.7
203.66118	0.5
209.11981	0.7
211.02440	1.0
219.10194	1.5
245.08299	0.9
263.09247	1.8
269.01089	1.0
289.07193	6.2
290.07642	0.7
300.99710	0.8
306.07498	1.4
307.08249	100.0
308.08609	8.3
348.08606	0.6
349.04990	0.5
349.09317	10.6
350.09485	0.7
373.25894	1.1
391.10339	0.9
409.11362	1.9
433.11227	1.7
451.12494	34.9
452.12869	4.4
469.13583	2.4
532.98053	0.6
607.18860	3.0
608.21942	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99070	0.4
55.01756	0.6
57.03318	0.8
59.01253	8.6
61.98703	2.9
65.00187	1.1
67.01752	2.4
68.99697	0.7
69.03316	0.7
71.01260	7.7
71.04886	2.7
71.58078	0.6
72.99178	1.0
73.02813	1.8
75.00735	0.7
78.95776	1.1
79.01756	2.8
80.05111	0.4
83.01261	1.9
83.04902	0.4
85.02821	3.7
87.00748	1.2
89.02334	2.8
95.01275	5.0
96.37215	0.4
96.95879	0.9
97.02827	1.3
99.00743	0.9
99.71539	0.4
101.02315	3.8
107.01279	10.8
107.04885	0.4
108.56622	0.4
109.99999	1.1
111.00758	4.8
113.02328	2.7
119.03383	0.8
121.02837	1.8
123.00774	26.8
124.01547	1.5
125.02344	29.5
126.02634	0.7
127.00266	1.2
131.03438	0.5
134.03661	3.4
135.04385	0.7
136.17026	0.4
136.98689	2.4
137.02342	0.9
138.01849	1.4
139.00282	9.3
139.02211	0.4
140.01073	6.9
141.01863	4.3
151.00284	12.9
152.00673	0.7
152.99388	0.5
153.01796	1.1
154.99739	0.8
155.28935	0.4
161.04445	1.3
165.01755	0.6
166.99724	2.8
168.00574	8.6
169.01344	31.0
170.01692	1.2
171.04501	0.4
177.09081	0.7
179.03458	0.6
179.05478	0.4
181.08609	1.3
209.11813	1.2
211.02432	4.0
221.08162	1.9
225.07617	3.1
251.11311	1.0
271.04587	1.7
313.05585	1.3
385.11343	1.1
402.11624	4.3
403.12466	11.1
404.12857	1.6
415.14523	0.5
448.48737	0.4
459.18726	14.3
460.18829	1.2
533.12988	8.0
534.13446	0.8
607.20306	100.0
608.20648	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	607.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99776	0.5
59.01243	5.4
59.95866	0.5
61.98693	2.0
63.98230	0.6
65.00156	0.6
67.01752	2.5
68.99664	0.9
69.03326	5.4
70.32800	1.9
70.33221	1.0
71.01252	6.1
71.04895	11.2
71.24142	0.5
72.99181	1.7
73.02807	1.7
75.00783	0.7
78.95778	0.6
79.01764	2.5
81.94086	0.6
83.01249	1.2
85.02811	1.9
87.00771	0.9
89.02306	1.7
93.58287	0.6
95.01270	4.2
97.02824	1.7
101.02297	3.6
107.01266	10.0
109.99983	0.9
111.00764	3.9
113.02337	1.3
119.03377	0.6
121.02826	6.8
123.00773	30.0
124.01497	2.0
125.02342	26.1
126.02628	0.8
127.00268	1.3
132.66704	0.5
134.03673	3.0
135.04353	0.8
136.98685	3.1
137.02229	0.7
139.00285	9.1
140.01073	6.7
141.01854	4.6
147.00806	1.1
147.07977	0.5
149.09633	1.6
151.00269	11.8
151.03883	0.5
153.01797	1.2
154.99736	0.6
165.01863	0.7
166.99763	3.5
168.00562	9.8
169.01341	27.2
170.01682	0.9
177.03943	1.3
177.09122	1.4
179.07008	0.8
181.05136	0.7
181.08633	1.4
203.58173	0.5
211.02414	5.0
221.08070	5.0
225.07642	2.9
251.11256	1.0
257.19107	0.7
271.04575	1.5
286.91818	0.6
297.41226	0.6
298.36554	0.6
313.05566	0.7
329.05243	0.5
345.50092	0.5
383.46429	0.5
385.11395	12.6
386.11810	0.9
402.11661	7.5
403.12421	13.5
404.12646	1.3
459.18750	26.8
460.19061	2.5
533.12946	9.6
534.13422	1.1
606.37958	0.6
607.20313	100.0
608.20642	15.3
608.29987	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35571	0.4
60.27262	0.3
75.61097	0.4
106.06522	0.7
117.27315	0.4
119.08611	0.4
121.10184	0.4
130.40202	0.4
137.05966	1.0
145.38628	0.4
155.07071	1.6
163.07518	0.7
163.50710	0.3
165.09082	1.1
201.56660	0.4
216.30374	0.4
241.19511	2.7
267.17740	0.5
285.18478	2.1
329.17621	0.7
394.11642	0.5
415.15521	0.7
416.16379	0.6
429.17389	0.9
430.18103	1.8
440.86505	0.5
443.19128	0.8
444.19077	0.8
457.20673	2.0
458.19376	0.5
459.17825	3.1
461.23581	0.4
470.21320	0.9
471.18698	1.3
472.18716	0.8
473.19821	5.9
474.20233	0.6
485.19589	1.7
485.24295	1.0
486.20898	4.5
487.21182	1.4
496.18942	1.0
499.17459	2.8
501.18445	1.0
501.22849	2.3
502.19666	0.6
503.21042	0.5
504.17609	0.5
511.21518	2.8
512.21948	0.5
513.19366	2.3
514.20160	8.9
515.20386	1.5
517.18506	0.5
518.19714	2.0
519.19702	0.6
528.21906	1.0
529.22461	100.0
530.22809	19.0
532.21051	2.1
533.22272	1.8
546.22626	0.5
561.24921	0.6
573.21283	1.0
605.24158	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	5.9
61.98711	2.9
65.00200	1.2
67.01768	1.1
68.99699	1.0
69.03333	1.7
69.50683	7.2
71.01247	5.1
72.99173	1.2
75.00734	1.1
78.57296	1.0
83.01278	1.8
85.02842	1.2
88.98687	1.0
89.02327	2.6
91.05410	1.3
93.03325	1.0
95.01284	3.4
96.95918	2.6
98.20569	1.1
99.00762	1.5
101.02336	2.9
101.45240	0.9
107.01279	17.0
109.06487	1.5
111.00768	8.3
116.48458	0.9
123.00779	16.2
123.01649	1.0
124.01585	4.2
125.02344	60.4
126.02679	2.0
127.00281	2.5
135.04440	0.9
136.98721	4.7
137.05974	2.1
138.03148	1.2
139.00269	10.2
140.01064	9.9
141.01831	1.9
147.04433	1.7
149.02356	1.6
151.00302	12.7
155.07014	9.0
161.02345	1.8
165.05544	1.6
166.99800	3.2
167.03426	1.2
168.00562	16.9
169.01341	98.8
170.01669	4.2
177.01843	1.8
182.91872	1.0
189.05536	1.7
193.01439	3.3
193.05000	1.3
211.02470	2.5
217.08656	1.4
219.10214	1.6
243.03059	1.3
255.75682	1.0
271.02493	1.6
282.01569	1.2
289.07190	7.9
299.99374	1.2
300.02808	3.3
300.99860	1.3
305.06744	3.7
306.07300	2.3
307.08228	100.0
308.08572	7.3
349.09299	14.8
355.85916	1.1
409.11285	1.6
449.10928	7.0
451.12439	34.5
452.12900	3.3
469.13586	2.3
561.20209	3.1
605.18317	12.0
606.18610	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	605.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49230	1.3
59.01239	2.5
69.74081	9.1
71.01264	1.7
72.66781	1.4
93.03336	1.8
96.95925	1.7
97.02763	1.3
97.05581	1.2
109.02900	1.4
111.00783	1.6
113.02355	1.6
123.00806	2.8
125.02339	5.5
133.02846	1.5
141.01697	1.6
141.32295	1.4
145.02823	4.7
147.04381	3.4
155.03387	2.2
161.02332	5.8
163.03944	3.0
169.01262	6.7
173.02461	6.8
173.04047	1.3
175.03876	1.8
189.01872	6.4
190.02625	1.4
191.03419	9.9
191.05544	1.9
201.01859	2.8
203.03442	2.9
217.01381	29.3
218.01801	1.9
219.02957	4.9
245.00912	28.0
246.01332	3.5
247.02460	100.0
248.02800	5.8
273.00403	64.1
274.00790	4.6
291.01483	37.0
292.01752	2.3
300.99844	3.3
363.03467	2.4
393.04532	3.1
435.05566	7.4
453.06516	28.0
454.06708	3.8
605.07721	26.3
606.08093	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	604.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65026	0.8
53.04029	0.6
54.53487	0.7
54.73132	0.8
59.01258	4.1
64.09025	0.7
67.33878	0.7
69.03322	0.9
71.01260	6.4
77.17336	0.6
82.95294	5.2
84.48241	0.7
85.02817	2.0
93.03360	0.8
93.31813	0.7
95.01260	3.8
97.02844	1.4
101.02303	2.0
107.01268	7.6
108.02058	3.2
109.02847	0.8
111.00790	1.6
113.02332	2.1
121.02854	1.2
122.03624	1.6
123.00764	10.5
124.01585	0.8
125.02340	49.8
126.02666	2.8
128.10043	0.8
129.14587	0.8
136.98813	1.2
137.02335	1.1
138.01877	7.1
139.00282	3.5
139.03954	0.9
140.01053	2.6
141.01791	0.8
149.02383	4.6
150.03137	11.0
151.00246	7.1
151.03551	1.6
152.01031	2.4
153.01678	1.2
165.01791	1.2
165.05496	14.9
166.05785	2.6
166.99792	2.0
167.03363	0.9
168.00537	5.5
168.34048	0.7
169.01344	69.5
170.01726	3.8
179.03484	1.8
180.04198	1.0
181.04933	1.9
193.01324	4.0
195.06570	9.7
196.07138	3.0
202.81158	0.8
205.41670	0.7
211.02425	6.2
211.09760	1.2
223.02493	1.2
235.02382	1.1
241.03545	1.0
253.03397	0.9
260.09955	0.8
271.04657	1.8
285.03925	1.2
295.04547	2.0
297.06168	2.9
299.98981	1.2
300.99854	2.2
301.99820	1.1
313.05637	24.7
314.06006	1.4
331.06339	1.0
343.11935	1.3
344.12198	1.0
465.06747	100.0
466.07074	11.0
534.43066	0.9
556.22375	1.0
604.11298	1.1
605.14917	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	603.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07734	1.1
54.28030	1.2
59.01250	3.5
60.99170	4.5
70.61744	1.6
70.62105	4.4
78.95766	1.6
87.00745	5.6
88.00289	7.8
88.98677	28.4
89.02316	100.0
93.16364	1.2
109.60542	1.3
147.84647	1.4
277.21768	1.7
387.66144	1.3
482.17517	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06735	4.3
55.61080	3.2
57.03307	4.2
59.01250	70.1
61.23662	2.8
61.98697	12.9
70.85529	3.1
71.01238	19.1
71.20853	3.6
71.21181	4.9
73.02814	3.9
83.01254	4.1
85.02828	4.9
89.02326	12.4
91.31567	3.3
92.92448	3.1
96.95883	12.0
97.02874	3.7
97.06458	4.7
101.02324	18.3
113.02283	5.5
123.04395	4.1
125.02366	6.5
125.09607	5.9
135.43628	3.5
137.09570	4.4
161.04433	6.0
163.11255	10.9
165.12846	3.9
169.01305	5.8
171.10175	10.9
172.10475	4.7
185.11774	10.6
191.14342	12.6
207.10210	5.1
209.11763	57.2
211.13277	8.4
225.11140	4.1
227.12820	4.5
237.11201	4.7
245.19057	22.1
253.06688	5.7
253.09232	43.8
260.33078	3.4
263.20218	5.3
264.47363	3.7
289.18091	100.0
290.18433	8.4
307.19141	84.4
308.19394	11.7
322.17902	3.4
401.68210	4.2
445.20071	3.4
464.98044	3.8
604.36505	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	603.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.0
59.01252	15.0
61.98708	6.8
63.02262	1.2
65.00176	1.0
69.38277	2.4
69.38688	5.3
71.01255	7.4
71.40540	0.9
73.02818	1.7
78.95792	1.6
82.95293	0.9
83.01254	2.2
85.02834	1.9
87.00749	1.6
87.06299	0.7
88.98685	1.4
89.02314	5.4
93.03354	0.7
95.01259	2.1
96.95886	3.9
98.02380	0.9
99.00806	1.0
101.02320	4.7
107.01281	4.2
108.02036	1.0
109.02840	2.5
113.02369	3.7
119.03385	1.8
121.02831	2.4
123.00774	2.8
125.02345	6.4
135.04425	1.2
137.02359	1.2
139.00252	1.2
141.01877	0.7
148.01604	1.4
149.02353	1.0
151.00276	14.9
152.00616	1.3
155.07060	0.9
160.01686	0.9
161.02388	1.6
161.04483	1.7
163.00262	2.4
168.00529	1.7
169.01347	10.4
173.05881	0.9
174.03178	1.2
175.03926	2.9
176.01047	1.2
178.99751	6.3
179.05560	1.9
188.04668	0.9
191.03391	2.1
198.03259	1.0
199.03920	1.9
203.03421	0.8
209.11844	0.8
211.02254	1.0
215.03523	1.4
216.04147	1.3
217.01396	1.1
226.02644	7.6
227.03505	6.5
228.03908	1.0
243.02963	24.2
244.03284	1.9
245.00703	1.5
245.04449	1.0
254.02170	7.5
255.02957	19.8
256.03329	1.5
271.02478	100.0
272.02911	10.3
283.02460	1.2
288.22574	0.9
289.18140	2.6
299.01974	1.2
300.02740	85.6
301.00018	1.7
301.03445	34.7
302.00574	0.9
302.03842	3.3
303.19608	1.6
305.21286	2.5
307.08524	0.9
333.20453	1.1
343.04218	0.9
363.21939	1.2
381.22821	34.6
382.23401	2.5
391.21292	2.1
441.47147	0.8
450.28140	1.9
463.08847	9.6
505.10318	3.9
544.15234	0.9
552.70520	0.9
585.15936	2.4
602.29755	3.2
603.17218	86.2
603.28699	6.7
604.17432	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	603.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.1
59.01254	15.5
61.98711	6.0
65.00195	1.9
71.01258	8.3
71.58066	1.2
71.58428	0.8
73.02810	1.6
78.91782	1.0
78.95789	1.5
82.95290	1.4
83.01263	2.2
83.04917	1.1
85.02836	2.7
87.00755	1.8
88.98728	1.1
89.02342	3.7
93.03364	2.3
95.01286	2.3
96.95894	4.0
99.04433	0.9
101.02324	5.2
106.18912	0.9
107.01279	5.7
108.02090	2.0
109.02852	2.5
113.02358	3.7
119.03418	1.7
121.02863	2.2
123.00751	4.5
123.04404	0.9
124.01569	1.8
125.02355	10.1
136.98859	1.0
137.02414	1.9
139.00252	1.7
140.01120	1.2
148.01633	1.0
148.54533	0.7
149.02359	2.3
150.03188	1.1
151.00293	13.3
152.00710	0.9
153.01831	1.0
155.07069	2.5
156.72346	0.7
161.04546	1.9
163.00293	3.0
166.99797	1.3
167.04921	0.9
168.00548	2.7
169.01376	9.3
170.01770	1.0
171.10193	1.0
174.03143	1.4
175.03931	1.1
178.99867	5.7
179.05588	1.5
187.03897	0.8
188.04755	0.8
191.03462	1.9
192.41644	0.7
193.05093	0.8
198.03102	1.5
199.04024	2.3
201.01913	0.9
203.03497	0.8
209.11833	0.9
211.76978	0.8
215.03442	1.4
216.04147	1.3
226.02690	8.3
227.03456	6.8
243.02977	23.5
244.03304	1.7
254.02147	7.8
255.02972	22.7
256.03314	1.7
271.02478	100.0
272.02982	11.1
273.00403	1.0
283.02460	0.9
284.03207	0.9
287.22458	1.8
288.22812	2.3
289.18066	1.4
289.22916	1.5
299.02011	1.6
300.02744	90.8
300.99829	2.7
301.03452	37.9
302.03885	3.6
303.00262	0.8
303.03983	1.2
303.19669	1.6
305.21164	2.0
343.04413	1.4
347.22150	1.3
381.22809	39.3
382.23236	1.3
391.21274	2.6
410.60260	0.8
449.27271	1.0
450.27869	2.8
451.12808	0.9
451.27908	2.2
463.08826	11.0
464.08740	1.1
505.10071	3.9
541.22522	0.9
585.16125	2.7
602.28699	6.7
603.17267	93.1
603.28839	11.8
604.17615	14.7
604.27502	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	13.2
59.01250	9.8
61.98703	1.5
63.02268	1.4
63.02651	1.0
65.00193	4.0
65.64169	0.8
68.99705	1.1
69.03355	1.0
71.01254	5.5
71.09461	1.0
71.58072	1.7
72.99179	1.1
73.02829	1.4
78.95785	1.1
80.91566	4.5
83.01279	5.4
83.04863	0.9
85.02830	2.5
87.00752	1.0
89.02330	1.4
93.03367	1.2
95.01276	3.0
96.95931	3.0
101.02333	3.3
107.01264	6.7
108.02074	1.0
109.02832	5.3
111.00732	2.4
113.02276	1.1
121.02850	2.0
123.00758	4.9
123.04431	3.5
124.01554	3.4
125.02343	100.0
126.02693	3.0
133.02867	3.3
134.03691	2.5
135.04410	8.5
137.02385	4.5
139.00290	2.9
139.03963	1.6
145.02885	1.1
147.04489	2.2
149.02345	4.2
150.03146	2.2
151.00287	15.6
151.03889	5.4
152.01099	5.1
153.01866	11.6
155.07086	1.0
157.06419	1.0
160.01617	2.0
161.02359	13.4
161.04437	1.4
161.05949	1.3
163.00290	2.8
163.03902	1.2
165.01874	1.1
166.99747	1.3
168.00665	1.3
169.01340	17.6
171.04521	1.3
174.03146	2.8
175.03918	21.8
176.01135	1.9
176.04276	1.6
177.01866	24.2
178.02208	2.2
178.99794	15.0
179.03462	8.8
181.01355	2.1
187.03983	1.1
188.04776	2.1
189.01906	1.1
189.05530	4.5
191.03438	4.0
192.00533	1.2
193.04980	1.5
198.03156	1.2
198.50166	1.1
199.03975	11.9
201.01895	4.3
203.12852	1.1
207.02884	1.5
215.03493	1.5
216.00696	1.8
216.04257	2.4
217.01550	1.1
217.05025	10.3
219.02893	1.3
227.03471	2.8
229.04752	0.9
231.06747	1.5
241.05009	7.9
242.02274	1.1
243.03043	4.5
244.00079	5.0
245.00931	1.4
255.02936	5.1
256.03580	1.4
257.04587	1.5
259.02338	1.1
259.06067	5.4
265.07202	7.3
271.02496	10.5
271.99677	5.2
272.02527	1.5
273.00421	2.5
274.01141	2.8
275.05566	4.7
284.03433	1.5
285.04050	73.9
286.04391	7.5
287.01932	5.9
288.02783	3.5
289.03702	2.1
299.99167	2.2
300.02762	11.4
300.99823	2.7
301.03473	6.2
302.00250	1.6
302.03406	2.2
303.05093	65.9
304.05432	5.4
337.09329	1.5
353.14499	0.9
353.36835	1.0
381.22830	9.6
391.21805	1.2
427.12723	1.0
447.09769	1.2
460.56714	1.0
463.08963	5.1
521.33380	4.0
560.09973	1.0
585.16193	1.7
588.14960	2.2
603.17078	43.1
603.30054	6.4
604.17328	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	601.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39774	0.2
53.51146	0.3
55.01744	0.6
57.03304	0.5
58.00460	0.3
59.01254	6.0
61.98700	0.3
65.00199	0.5
67.01769	1.4
69.03316	0.9
71.01254	5.8
72.42142	0.2
72.99183	1.0
73.02832	1.6
79.01761	1.3
81.03351	0.4
83.01259	1.3
85.02824	2.7
85.99973	0.5
87.00745	1.2
89.02314	1.8
95.01268	2.9
96.95880	0.4
97.02836	1.0
99.00737	0.8
101.02327	3.8
107.01284	3.2
111.00776	2.1
113.02331	1.7
113.09597	0.5
119.03373	0.3
123.00771	14.3
123.04424	0.3
124.01632	1.3
125.02341	12.5
125.09597	0.4
126.02646	0.4
127.00237	0.4
127.11162	0.6
127.26620	0.3
136.98721	0.8
139.00269	3.2
139.19891	0.3
140.01068	1.8
141.01860	2.1
141.12727	0.4
150.99126	0.5
151.00278	7.2
153.01801	0.4
163.03967	0.5
168.00586	1.5
169.01343	12.2
169.02794	0.6
170.01720	0.6
177.01794	0.3
211.02394	0.7
240.38876	0.3
241.21686	0.6
243.03003	0.4
255.02847	0.7
269.21228	2.9
271.02298	0.7
285.20621	0.5
287.22272	28.1
288.22614	1.9
299.99133	1.5
300.02692	0.9
300.99799	1.0
301.03403	0.6
301.23853	0.3
313.05698	0.7
394.72934	0.3
431.26480	1.7
449.27557	31.6
450.27991	3.6
575.67639	0.3
583.27472	2.0
596.27606	0.3
601.28650	100.0
602.28979	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	601.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66925	0.6
51.76852	0.7
51.96558	0.7
57.03309	3.4
59.01254	1.5
59.30292	0.8
62.38434	0.8
68.71030	0.8
71.01236	1.0
79.26427	0.8
96.95881	2.0
97.06467	11.3
99.88622	0.9
111.82486	0.8
123.08057	7.3
125.09615	100.0
126.09936	3.0
161.87836	0.8
169.08640	2.6
171.10178	10.3
187.09685	70.5
188.10054	4.2
211.13338	7.6
225.08093	0.9
225.11359	1.1
243.12309	2.4
260.57288	1.0
261.13437	8.2
270.27899	0.8
299.99072	5.6
300.99826	5.2
431.22824	25.5
432.23145	2.7
507.37354	1.0
583.31317	1.2
601.12329	4.2
601.32288	58.4
602.12396	1.1
602.32605	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	602.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93750	0.9
57.03325	1.8
59.01253	69.8
61.98708	7.0
71.00893	1.7
71.01257	22.9
71.31551	1.0
71.57782	1.8
72.99178	1.5
73.02821	3.4
74.73810	1.0
78.95770	2.5
83.01250	2.8
83.04910	1.1
85.02836	7.6
87.00762	1.2
88.98711	0.8
89.02322	16.0
95.01266	1.6
96.95882	6.0
96.96877	1.0
97.06452	1.5
99.00750	1.3
101.02322	17.5
113.02334	8.0
119.03393	5.4
123.00750	1.3
125.02309	3.0
161.04459	2.4
165.12744	2.0
169.01326	4.3
171.10196	10.2
172.10512	4.8
179.05508	2.1
183.13782	8.6
185.11720	3.8
208.13458	1.6
209.11720	1.1
211.13350	9.4
212.13635	5.6
221.83527	1.0
226.18103	2.1
228.15985	7.9
237.22223	1.9
293.69290	1.1
299.99057	1.5
300.99792	2.1
318.81595	0.9
374.01349	1.0
390.21268	4.4
432.22604	1.5
584.34460	5.0
602.35498	100.0
603.27301	1.6
603.35999	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	603.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.7
67.01315	0.8
67.01692	1.6
69.52130	1.2
69.52531	6.3
75.55978	0.8
83.01250	1.3
87.67334	0.7
89.02344	0.9
90.80953	0.8
92.21326	0.8
93.03335	2.3
96.95934	1.1
107.01292	4.9
109.02792	1.6
111.00760	1.7
111.04410	1.6
123.00786	2.2
124.01561	0.9
125.02345	12.0
126.02692	1.0
135.00804	1.3
139.00253	1.8
140.01070	1.1
143.04959	1.3
146.23648	0.8
149.02261	0.9
151.00293	3.7
159.04430	1.6
163.00294	4.3
166.99678	1.3
168.00581	2.9
169.01338	19.1
170.01703	1.2
171.04430	1.2
175.02477	1.1
183.04457	1.1
185.06018	1.8
187.03931	3.2
197.06073	1.1
199.04036	1.4
211.03989	3.2
213.05502	1.6
227.03441	26.9
228.03798	2.1
229.04990	10.4
239.03458	1.6
240.04140	1.0
241.05090	1.6
255.02975	48.1
256.03455	4.6
257.04538	5.4
267.02936	1.3
283.02441	1.4
284.03275	50.5
285.04037	100.0
286.04410	6.0
289.07074	1.1
300.99869	2.0
304.41342	0.9
398.06073	0.9
429.08273	1.8
447.09320	33.2
448.09598	2.7
567.11456	10.0
568.11957	1.5
585.12512	20.5
586.12952	2.4
603.13330	10.9
603.20416	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	601.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73119	0.3
58.60997	0.2
59.01259	1.9
59.97238	0.3
61.98701	1.3
63.02270	0.3
65.00175	0.3
68.99694	0.4
71.01262	0.7
71.58001	0.5
78.91787	0.5
83.01244	0.6
86.93825	0.3
87.00787	0.4
89.02309	0.5
96.95892	0.3
101.02344	0.3
107.01269	1.8
109.02843	0.5
111.00748	0.8
113.02371	0.4
116.92716	0.6
121.02855	0.6
123.00786	1.2
125.02331	2.7
132.02039	0.9
133.02792	0.5
135.04391	0.6
137.02345	0.7
139.00272	1.2
140.01089	0.3
145.02812	0.6
146.03644	0.7
147.04572	0.3
148.01584	0.5
149.02364	0.3
150.03171	0.7
151.00278	2.6
152.01045	0.4
157.02858	0.3
160.01538	1.1
161.02405	0.7
163.00235	0.6
164.01050	0.5
164.04672	0.6
165.01810	0.8
165.05521	0.7
166.99794	0.9
168.00600	0.3
169.01347	4.6
170.01642	0.4
172.01605	1.5
173.02344	0.5
175.00346	0.4
176.01019	0.5
178.99796	1.1
179.07037	0.7
185.02391	1.0
187.03958	0.5
188.01073	1.2
189.02052	0.4
193.27733	0.3
194.99266	0.3
195.06566	1.1
200.01073	2.9
201.01852	1.1
213.01801	0.3
216.00577	3.7
217.01225	1.1
226.99773	0.7
227.03477	0.6
227.12929	0.9
228.00610	0.8
229.01421	1.9
229.04980	0.7
242.99307	1.9
243.06596	0.4
244.00131	3.7
245.00887	1.5
255.02953	0.8
257.00912	2.9
258.01382	0.3
270.98868	1.5
271.02472	0.8
271.99600	1.0
273.00464	4.7
274.00748	0.5
282.98914	0.7
283.99670	1.0
284.03210	0.7
285.04007	3.5
286.04361	1.3
287.04727	0.7
287.14957	1.1
291.01602	0.5
298.98407	1.6
299.01788	0.6
299.99124	100.0
300.99829	27.1
301.03424	1.8
302.00171	1.4
302.03778	1.0
303.04282	0.6
313.05783	0.5
317.03018	6.2
318.03378	0.6
377.02951	0.6
395.03940	0.7
433.07947	0.7
449.20187	1.1
557.10138	0.6
601.11975	56.0
602.12354	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	601.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30320	0.7
54.38465	0.6
55.08545	0.6
63.02280	1.0
65.00192	1.1
69.23733	1.4
69.24140	6.8
80.72241	0.6
83.01245	1.1
107.01259	1.9
108.02077	1.6
121.02840	1.1
135.00757	0.9
148.01596	1.1
151.00275	7.8
163.00291	2.2
174.57809	0.7
178.14020	0.6
178.99785	5.7
199.03886	1.0
211.03951	1.4
215.03473	1.6
226.02628	2.2
227.03351	3.8
239.77046	0.7
243.03006	13.0
244.03409	1.3
245.04480	1.3
254.02202	3.8
255.02954	22.5
256.03348	2.6
271.02478	63.7
272.02951	6.1
273.03824	1.3
283.02390	1.6
299.02109	1.7
300.02740	100.0
301.03424	32.9
302.03812	3.4
445.07883	1.2
463.08948	7.6
464.09402	1.1
527.28302	0.6
601.15656	55.5
602.15997	9.8
610.57037	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.4
65.00185	1.2
67.58043	0.3
67.58540	0.4
69.30534	3.9
80.28343	0.3
80.91565	0.4
83.01266	0.6
96.95913	0.4
107.01265	2.1
107.95117	0.4
108.02041	1.5
109.02813	0.6
121.02844	1.0
124.01533	0.4
125.02358	0.4
125.32353	0.3
135.00754	0.7
147.00764	0.4
148.01566	1.3
150.03168	0.5
151.00279	6.1
152.00958	0.4
155.07036	1.4
161.78017	0.4
163.00307	1.3
164.01097	0.7
165.05484	0.4
169.01335	1.3
175.03937	0.8
178.99741	3.5
183.04420	0.6
187.03862	0.5
199.03876	1.5
201.01950	0.9
209.08080	0.4
211.03767	0.8
215.03406	1.3
216.04333	0.4
226.02652	1.2
227.03462	3.3
243.02953	12.8
244.03419	1.0
254.02193	1.8
255.02965	25.4
256.03308	2.0
271.02466	59.4
272.02908	5.2
273.03922	0.6
283.02634	0.4
299.01962	12.4
300.02728	100.0
301.03357	21.7
302.03818	1.4
445.01825	0.2
445.07782	6.8
446.08035	0.6
463.08813	2.5
565.26514	0.4
601.15649	34.7
602.15967	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	601.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93119	0.4
59.01240	0.6
63.02259	0.9
65.00190	1.2
83.01257	0.8
91.02387	0.5
105.21483	0.5
107.01286	2.6
108.02080	1.1
109.02809	1.5
119.01241	0.6
119.08010	0.5
121.02831	1.8
124.01553	0.5
125.02296	0.8
135.00798	0.9
148.01582	0.8
151.00287	10.9
152.00609	0.5
155.07072	0.7
160.27650	0.4
163.00266	3.0
169.01357	2.1
178.99776	7.1
187.03984	0.7
190.99796	0.7
198.03244	0.8
199.03894	1.1
200.64366	0.5
201.01974	0.6
211.03970	1.3
215.03506	0.8
216.04164	1.4
226.02670	4.8
227.03461	4.6
228.04031	0.9
229.04880	0.9
239.03221	0.6
243.02972	14.7
243.05373	1.0
244.03502	1.6
245.04451	1.2
254.02190	6.1
255.02969	21.2
256.03394	2.1
271.02475	80.5
272.02975	9.7
273.04004	1.0
278.83057	0.6
283.02441	1.0
295.09662	0.5
299.02014	1.8
300.02744	100.0
301.03445	46.5
302.03824	3.4
343.04700	0.9
409.70462	0.5
455.07944	0.5
463.08929	3.6
601.15662	81.8
602.15973	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	601.084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18043	0.5
59.01265	2.1
61.98701	0.9
71.01253	0.9
85.02818	0.6
87.00765	0.5
95.01283	0.6
95.17677	0.4
96.95885	0.6
97.02885	0.5
102.45887	0.4
103.24024	0.4
107.01296	0.7
111.00797	0.6
116.92744	0.9
117.03416	0.5
121.02843	0.9
124.50275	0.4
125.02373	2.9
133.02864	4.6
135.04373	0.8
137.02335	0.5
145.02899	2.2
147.04439	0.6
149.02342	2.1
150.03085	1.4
151.00285	1.5
160.01474	0.8
160.05066	0.5
161.02383	4.6
163.03912	1.3
165.05493	1.5
166.99785	0.7
168.00497	0.6
169.01349	3.6
173.02347	1.7
177.01933	0.4
179.03429	0.8
181.05037	1.2
189.01868	8.1
193.01257	0.6
194.04007	0.5
195.06598	1.1
200.01042	0.7
201.01860	0.9
209.08208	0.7
216.00587	5.2
216.75865	0.5
217.01378	11.3
218.01732	0.8
228.00595	1.4
229.01283	0.8
243.06403	0.5
244.00084	9.7
245.00879	20.5
246.01411	1.9
247.02423	4.7
257.00806	0.6
270.98926	1.2
271.99490	2.2
273.00409	100.0
274.00778	6.0
285.03995	1.8
286.04761	0.4
290.00696	0.7
291.01437	6.1
295.04556	1.1
299.99149	13.2
300.02621	0.8
300.99915	5.5
301.03122	0.8
302.00034	0.6
313.05359	0.5
314.05804	0.5
317.03088	0.6
335.48587	0.5
355.72177	0.5
379.25073	0.7
426.60593	0.4
465.16165	0.5
523.19440	0.5
601.12006	8.4
601.22754	0.7
601.61237	0.5
602.11914	0.5
612.01740	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45112	0.3
53.72068	0.3
65.00182	0.2
69.63206	2.0
70.93174	0.2
79.89377	0.3
103.12026	0.2
132.02104	0.4
133.02859	0.3
138.00681	0.3
144.02068	0.4
145.02869	0.4
148.01485	0.3
154.15585	0.2
157.02898	0.3
160.01573	1.4
161.89021	0.3
169.01288	0.3
172.01593	2.6
173.02370	0.8
176.01093	0.6
185.02368	1.1
187.00209	0.4
188.01042	0.9
200.01091	2.7
201.01776	1.2
216.00577	4.5
217.01239	0.4
226.99802	1.1
228.00557	2.1
229.01407	2.2
242.99303	2.3
244.00081	4.4
245.00780	1.2
254.99286	0.4
257.00842	1.4
270.98965	1.5
271.99634	2.5
273.00232	0.4
282.98871	1.9
283.99756	1.8
298.01062	0.3
298.98456	1.9
299.99115	100.0
300.99860	64.1
302.00259	3.9
375.60941	0.3
445.03986	1.0
601.11993	40.9
602.12305	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	601.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78977	0.3
57.20242	0.3
59.01254	2.0
61.98684	1.1
70.97858	0.9
71.01244	1.2
79.32484	0.3
80.33797	0.3
84.56647	0.3
85.02814	0.5
87.00745	0.4
93.03277	0.4
96.95895	0.6
101.02335	0.5
107.01244	1.0
111.00762	0.5
113.02380	0.4
116.92730	0.5
117.03355	0.4
117.92755	0.4
119.04811	0.4
121.02878	1.0
123.00748	0.9
123.04388	0.5
125.02334	3.1
132.02090	0.5
133.02867	4.6
135.00848	0.5
135.04405	1.0
137.02347	0.5
138.06598	0.3
139.00269	0.3
139.03877	0.4
141.01874	0.4
145.02855	2.4
149.02380	2.5
150.03191	1.7
151.00276	1.5
151.03790	0.4
159.04445	0.3
159.42180	0.3
161.02362	3.8
162.02898	0.3
163.03891	0.8
165.04187	0.4
165.05431	1.7
166.99889	0.4
168.00577	0.9
169.01328	3.4
173.02354	2.7
175.03888	0.8
179.03386	0.9
179.07196	0.4
181.04944	1.2
188.01146	0.5
189.01860	8.8
190.02396	0.6
191.03426	0.5
195.06567	1.4
200.01088	0.9
201.01866	1.1
209.08139	0.9
212.46783	0.4
216.00638	6.0
217.01376	12.1
218.01823	0.4
219.02931	0.4
219.05745	0.3
224.37523	0.4
227.03436	0.5
228.00571	1.0
229.01334	1.1
244.00101	9.9
245.00883	21.8
246.01413	1.9
247.02496	4.1
270.98849	0.9
271.99655	2.0
273.00406	100.0
274.00717	6.8
285.04123	1.7
286.04410	0.8
287.04877	0.5
290.00684	0.9
291.01477	7.6
292.01666	0.4
295.04553	1.2
298.98483	0.5
299.99149	13.3
300.02441	0.6
300.99808	5.8
302.00049	0.6
317.03021	0.7
379.25000	1.0
458.61774	0.4
509.74887	0.4
523.19122	0.4
538.75525	0.3
601.11926	9.7
601.22827	0.6
601.24829	0.7
602.12500	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.6
57.03316	1.5
58.47821	0.7
59.01252	100.0
60.01565	1.5
61.98701	5.9
65.00184	0.8
67.01752	0.9
69.03326	4.6
71.01257	16.4
72.99195	2.1
73.02826	6.5
75.00745	1.0
77.66571	0.7
79.95584	1.0
81.03313	0.9
83.01252	4.2
83.04893	2.9
85.02822	6.6
87.00755	2.7
88.98704	1.2
89.02310	6.9
93.03329	1.0
95.01285	3.0
95.04918	1.0
96.95860	3.9
97.02822	1.1
98.19747	1.5
99.00752	1.3
99.04414	2.6
101.02323	9.6
107.01254	7.3
109.06512	1.0
111.00772	1.2
113.02339	5.2
119.03397	2.6
119.45689	0.8
123.00783	6.6
125.02346	20.1
131.03337	1.0
134.03606	1.2
137.09666	1.2
139.00296	1.7
140.01004	1.7
143.03452	1.5
149.02266	1.2
151.00285	6.2
151.07576	1.1
152.08296	1.1
155.07043	2.8
156.31384	0.9
158.92262	0.8
160.03990	1.1
161.04439	3.0
163.11122	1.0
165.05511	0.9
165.12799	1.4
167.10692	6.6
168.00528	2.5
168.99951	1.5
169.01343	24.5
170.01622	1.3
171.10184	43.4
172.10521	1.4
173.02252	0.9
179.05597	0.9
189.09059	1.0
204.11481	1.4
205.12245	1.0
207.13805	4.9
209.11777	39.8
210.12083	2.5
211.02477	0.9
217.04921	1.5
219.13858	1.4
225.14914	9.8
227.03412	1.8
227.12840	38.0
228.13293	2.3
229.04941	1.1
251.12848	1.7
253.09265	2.3
255.02888	2.6
261.04099	3.0
263.12830	4.3
269.13943	6.2
271.04602	1.9
284.03253	3.1
285.04068	9.0
286.04446	1.3
287.15002	31.9
287.18280	1.5
288.15451	1.8
288.68039	0.8
299.99133	1.6
300.02591	1.2
300.99777	1.5
301.03387	3.0
313.05676	3.8
329.15912	2.6
345.20547	1.1
363.21707	2.0
389.18063	3.4
414.79288	0.8
423.09494	1.1
449.20212	1.1
581.29742	6.7
582.30170	1.0
599.10077	7.1
599.31525	34.5
600.11444	1.5
600.31561	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	599.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03288	1.4
59.00953	3.6
59.01253	66.3
59.34786	1.3
69.64728	10.0
71.01263	3.0
75.00770	1.4
85.02796	1.4
93.03374	1.6
96.95883	4.3
101.02328	2.0
121.02842	16.8
122.03603	2.0
123.00748	2.1
125.02351	6.2
141.00327	1.7
149.02345	46.2
150.03168	19.7
164.04716	11.6
165.05467	25.8
166.06091	1.6
169.01361	7.8
180.04155	2.3
181.08603	1.9
195.06552	17.9
209.04466	10.4
211.02457	1.9
211.40253	1.6
271.04599	3.1
283.09747	1.9
285.45618	1.7
300.99860	4.5
314.11597	27.1
315.11850	2.8
329.13937	100.0
330.14288	8.0
377.16028	38.7
378.16348	4.6
417.86865	1.5
583.38495	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	599.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58100	10.8
55.01756	10.9
59.01260	100.0
62.73593	9.8
71.01253	72.6
71.57119	15.5
72.99162	10.2
78.76215	9.4
89.02312	97.1
95.01261	13.2
96.95914	16.7
101.02311	28.5
101.46297	9.3
113.02357	24.0
119.03384	29.9
125.02298	11.0
161.04451	10.8
162.03133	13.6
177.05609	11.9
179.05583	33.8
226.93547	9.8
243.35649	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	599.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26507	0.9
57.03324	1.9
58.00460	1.5
59.01251	60.4
60.99176	6.5
61.98703	5.2
65.00195	1.5
69.03309	1.7
71.01254	20.8
71.57475	1.5
72.99162	2.3
73.02804	3.3
79.01766	1.7
81.03281	1.3
83.01247	3.4
83.04868	1.5
85.02833	6.6
87.00732	3.5
88.00290	1.8
88.98680	40.6
89.01752	1.3
89.02319	26.2
95.01223	3.4
96.33276	1.0
96.95872	2.5
97.02812	2.1
101.02312	15.1
107.01270	7.6
108.94987	1.0
111.00745	2.6
113.02318	6.6
119.03403	5.3
122.03538	1.2
122.99930	1.2
123.00777	17.3
125.01448	1.4
125.02337	26.4
126.02599	1.5
136.98718	1.9
139.00208	4.2
140.00984	3.8
141.01759	2.1
145.02820	1.3
151.00278	10.1
153.01775	1.5
155.07047	2.0
160.01508	1.3
161.04472	3.4
163.11118	1.9
168.00510	4.1
168.99985	2.0
169.01341	35.9
171.08795	1.8
171.10185	23.9
172.10364	1.3
189.05426	1.2
209.11769	22.6
211.02412	6.2
215.70229	0.9
217.04993	2.2
227.03360	1.9
253.09090	1.8
255.02867	3.0
261.04025	7.5
261.07761	1.1
262.04282	1.9
271.04718	5.7
284.03198	2.3
285.03970	9.7
299.99042	5.5
300.99612	3.0
312.99606	1.2
313.05515	4.4
363.21616	3.3
377.26694	3.1
429.24991	3.1
447.19699	1.2
447.25940	23.4
448.26361	2.6
537.26660	3.4
538.28247	1.4
539.24866	15.9
540.25183	2.2
563.24725	1.8
581.25885	11.9
582.25696	2.4
599.10413	4.8
599.26904	100.0
600.11584	1.4
600.27234	16.5
621.01868	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.3
57.03326	2.0
58.56265	0.9
59.01253	100.0
60.01585	1.0
61.98714	6.7
67.01740	0.8
69.03313	5.3
71.01257	17.0
71.06237	1.6
71.06557	1.0
71.86636	0.9
72.99187	2.3
73.02824	6.4
75.00763	1.1
76.90339	0.8
79.12601	0.8
80.02541	0.9
83.01259	6.0
83.04919	2.8
85.02814	6.8
87.00760	3.3
88.98672	1.3
89.02306	6.1
93.03409	0.9
95.01275	3.6
95.04914	2.1
96.95898	3.3
97.02789	0.9
99.00777	1.5
99.04416	2.3
101.02327	10.1
107.01277	6.0
107.04898	1.2
109.06477	1.3
111.00732	2.0
113.02335	7.4
119.03400	2.0
121.06411	1.0
123.00777	7.3
125.02332	24.6
126.02714	0.9
127.11179	1.0
129.08908	0.9
135.04395	1.3
135.08104	1.0
137.09631	1.7
139.00275	2.9
139.07559	1.0
140.01039	1.4
141.01822	1.2
143.03465	1.1
151.00322	5.6
151.07571	2.0
153.01836	1.4
155.07066	2.6
156.70064	0.8
159.04269	0.9
160.03900	1.1
161.04466	3.5
161.09598	1.3
163.11194	1.3
165.12733	3.3
166.99773	1.5
167.10683	7.8
168.00595	3.9
168.02864	1.1
169.01335	32.2
170.01665	0.9
171.10193	46.1
172.10548	3.2
173.02571	1.0
175.03975	0.9
187.11252	1.6
189.09119	0.8
195.08344	0.9
204.11469	2.0
205.12134	1.2
207.13829	4.4
209.11780	45.0
210.12102	2.9
211.02451	1.5
217.04974	1.3
219.13844	2.0
225.14922	9.6
227.03386	1.9
227.12843	45.0
228.13203	2.0
228.98239	1.0
251.12946	1.5
253.09258	2.6
255.03000	4.2
256.03583	1.2
257.04443	1.1
261.04028	3.1
263.12869	7.0
269.13928	8.1
271.02267	1.4
271.04684	2.1
284.03232	3.0
285.03967	11.7
286.04477	1.5
287.14999	37.5
288.15356	2.2
299.99008	2.6
300.99823	2.8
301.03424	2.2
311.10742	0.9
313.05795	5.4
329.16022	3.0
345.20795	1.5
359.17496	0.9
363.21710	2.4
371.16934	0.9
389.13443	1.0
389.18210	3.2
423.09430	1.2
447.25522	1.5
449.20200	2.4
581.29633	5.9
582.29968	1.8
599.10474	10.4
599.31744	38.4
600.10999	2.1
600.31805	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	599.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30134	1.0
56.07191	0.9
59.01241	3.8
60.19234	1.1
61.98680	1.0
63.02275	2.4
65.00200	3.6
69.44498	1.6
69.44901	8.5
71.01256	2.3
83.01279	2.9
89.02331	1.2
90.81467	1.1
91.01775	1.0
95.01271	1.2
101.02304	2.1
107.01269	8.8
108.02112	2.3
109.02853	3.1
111.00754	2.9
113.02308	1.4
115.84008	1.0
121.02857	1.6
121.53603	1.0
123.00756	5.2
124.01591	1.4
125.02338	28.0
126.02678	1.3
135.00757	1.6
137.02307	1.8
139.00253	3.8
139.03848	1.4
140.01007	2.7
150.37831	1.1
151.00276	22.5
152.00685	1.2
153.01869	1.4
153.12865	1.2
161.02370	1.3
163.00281	3.3
165.01836	1.5
167.61794	1.0
168.00557	4.1
169.01344	39.9
170.01659	1.2
178.99815	8.2
183.04532	1.1
185.06131	1.1
199.03867	2.5
203.03366	1.1
211.03915	1.8
226.02713	5.7
227.03479	11.5
229.05151	2.2
241.01323	2.3
243.02992	23.3
244.03406	2.6
254.02174	4.6
255.02985	33.7
256.03482	3.8
257.04416	1.4
270.01672	3.6
271.02469	97.3
272.02969	8.1
283.02493	3.1
284.03253	14.7
285.03967	15.8
299.01974	12.2
299.99118	14.9
300.02686	100.0
300.75781	1.2
301.03476	59.0
302.03833	5.5
313.05670	17.0
314.06049	1.5
445.07654	1.9
447.09323	3.4
460.89676	1.4
463.08817	32.8
464.08966	5.0
492.34601	1.1
599.12286	41.0
600.11896	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	599.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35122	0.7
56.60018	0.7
59.01220	3.1
60.41333	0.7
61.98692	0.7
63.02257	1.2
65.00173	2.2
69.31918	3.0
69.32347	4.3
71.01222	1.9
83.01244	2.0
93.03309	0.8
106.73904	0.8
107.01273	6.0
108.02045	1.1
109.02819	1.7
114.93165	0.9
121.02823	1.7
122.20446	0.8
123.00770	1.6
125.01451	0.8
125.02332	10.0
139.00227	1.3
148.01575	1.6
149.02238	0.8
151.00305	12.2
161.02266	1.1
163.00252	3.3
164.00945	0.9
168.00423	0.9
169.01343	11.1
171.52486	0.8
174.03065	1.5
175.03949	1.1
178.99759	5.2
181.80772	0.8
183.04413	1.1
185.06065	1.0
187.03867	1.7
190.02626	0.9
198.03082	1.8
199.03870	1.9
210.92545	0.7
215.03468	1.1
216.04163	1.5
217.04985	1.0
225.01868	0.8
226.02664	9.0
227.03468	9.0
229.05006	1.5
233.41901	0.8
243.02951	25.1
244.03351	2.0
245.04608	1.1
254.02164	6.9
255.02966	18.4
256.03549	1.8
257.04507	1.0
271.02466	100.0
272.02899	10.3
273.03912	1.4
283.02359	1.5
284.03168	4.1
285.04053	13.0
286.04205	2.1
299.01810	2.0
299.99384	3.0
300.02728	93.4
300.99942	2.0
301.03458	48.2
302.03931	2.3
313.05746	2.8
315.05072	6.3
343.04660	1.6
447.09589	4.6
447.18796	1.3
463.08856	23.3
463.32306	0.8
464.09067	1.6
599.14001	44.0
600.14581	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	599.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.5
59.01252	3.7
61.98680	0.9
63.02267	1.2
65.00187	2.3
69.03304	0.8
71.01242	2.3
73.05491	0.7
75.68900	0.6
78.00334	0.6
80.22478	0.6
81.34965	0.6
83.01256	2.6
87.14346	0.7
93.03333	0.8
95.01259	1.0
96.95879	1.2
98.20607	1.0
101.02340	1.5
107.01276	5.8
108.02051	1.4
109.02835	1.7
111.00787	0.7
113.02327	0.8
119.01292	0.7
121.02847	3.0
123.00779	2.2
124.01543	0.8
125.02332	9.7
135.00778	1.2
137.02310	0.7
139.03870	0.8
148.01541	1.6
149.02299	1.1
151.00270	18.7
162.99077	0.6
163.00233	3.3
164.00945	1.1
165.05447	0.8
168.00522	1.5
169.01341	14.4
171.06512	1.2
174.72699	0.8
178.55939	0.6
178.99753	8.7
179.03412	0.7
192.00565	1.1
193.01187	0.6
198.03136	0.7
199.03906	2.2
201.01949	1.0
203.03445	1.2
211.04021	1.4
215.03465	0.9
226.02650	3.8
227.03496	5.9
229.04947	1.4
229.79214	0.6
243.02960	16.6
244.03284	0.9
245.04454	1.7
247.36955	0.7
254.02170	5.3
255.02968	25.1
256.03461	1.8
257.04568	0.8
271.02472	74.1
272.02927	7.5
273.03998	1.4
283.02475	1.0
284.03299	2.3
285.04025	6.7
299.01932	2.5
300.02725	100.0
301.00116	2.1
301.03452	60.5
302.03818	3.6
313.05557	2.8
343.04504	0.8
345.06653	0.6
445.07986	1.0
447.09311	1.0
463.08823	39.0
464.09293	3.3
581.12970	1.0
599.13080	24.5
599.26556	2.5
600.13245	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	599.1048
Annotation	Kaempferol 3-(2''-galloylglucoside)
Peak:m/z	Relative Intensity
51.66076	0.7
56.62902	0.8
59.01236	4.0
61.98705	1.3
63.02256	1.2
65.00188	2.3
69.67226	0.8
71.01250	2.3
72.99174	0.8
83.01261	3.0
85.02821	1.1
89.02293	1.4
93.03312	1.0
95.01234	1.3
96.95855	1.9
98.20560	3.3
104.87051	0.8
107.01262	8.5
108.02052	1.8
109.02840	1.9
111.00743	1.3
113.02338	2.0
114.93311	1.0
121.02837	3.7
123.00742	3.4
125.02336	19.3
125.92873	0.8
128.46278	0.8
132.09766	0.7
135.00786	1.2
137.02324	1.0
139.00307	2.8
139.03928	1.2
140.01086	2.0
143.04816	0.8
148.01668	1.3
150.02963	0.8
150.99138	1.5
151.00270	21.1
151.03873	1.2
152.38121	0.8
159.04323	0.9
161.02359	1.0
163.00275	3.4
163.03908	1.1
165.05482	1.1
168.00517	3.4
169.01341	27.5
171.06575	0.9
178.99802	9.7
184.22557	0.8
185.06070	0.9
187.03934	1.1
192.00514	1.2
199.03993	1.8
203.03426	1.2
211.03958	1.8
215.03429	0.8
216.04083	1.1
226.02623	3.7
227.03503	8.9
228.03923	1.1
229.05017	3.2
230.05403	1.3
243.02975	16.7
244.03404	1.2
245.04437	1.9
254.02159	3.5
255.02960	34.3
256.03342	2.7
257.04401	1.2
271.02475	71.4
272.02863	5.5
273.04065	2.0
283.02264	1.6
284.03250	9.1
285.03992	10.8
299.01904	2.9
299.99243	6.7
300.02704	100.0
301.03479	61.3
301.06326	0.9
302.03787	3.1
313.05621	12.1
315.01328	1.0
343.04572	1.3
447.09280	2.2
463.08789	34.1
464.09097	3.4
599.11676	29.0
599.27777	2.8
600.12268	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	599.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48963	0.3
53.02658	0.3
63.02279	1.7
65.00197	0.6
69.89533	0.8
69.89928	0.5
71.01239	0.5
74.75939	0.3
83.01280	1.7
93.03372	1.3
95.01242	0.5
98.20535	0.4
107.01280	3.5
109.02838	0.7
123.00759	1.2
125.02341	2.3
131.04959	0.5
135.00749	0.8
136.59294	0.3
139.00311	0.4
140.01013	0.4
143.04945	1.4
145.02824	0.3
151.00281	7.9
151.29198	0.3
153.01814	0.3
154.04132	0.4
155.60963	0.3
155.89606	0.3
157.06430	0.7
159.04439	1.2
163.00252	1.5
164.01038	0.7
165.01883	0.4
166.33737	0.3
167.04904	0.5
168.00580	0.5
169.01358	4.5
169.06453	0.4
171.04419	0.7
173.02458	0.4
173.06097	0.3
183.04469	0.5
185.06024	2.3
187.03972	2.4
189.05522	0.7
195.04315	0.4
197.06006	0.6
199.03960	0.7
201.05510	0.4
211.04001	1.7
213.05507	2.1
215.03455	0.4
227.03471	1.8
228.03836	0.4
229.05014	8.5
239.03406	0.8
240.04225	0.5
241.05048	1.1
255.02917	0.8
256.03546	0.8
257.04547	7.1
258.04840	0.3
267.02951	0.4
284.03302	1.5
285.04041	100.0
286.04398	6.3
288.91690	0.3
313.05652	11.7
314.05988	1.1
599.10431	0.8
616.21863	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1048
Annotation	Kaempferol 3-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
59.01241	3.6
61.98677	1.1
63.02266	3.1
63.43017	0.7
65.00188	3.5
67.01753	1.1
68.11459	0.7
68.99655	0.9
69.03313	1.1
71.01261	4.9
71.57969	1.2
72.53575	0.8
78.87221	0.8
83.01274	3.7
85.02834	1.4
89.02331	0.9
91.01772	1.0
93.03320	2.2
95.01273	2.6
96.95872	1.4
97.02888	0.9
101.02319	2.5
107.01270	12.6
109.02823	3.0
111.00774	2.9
113.02309	1.5
116.92742	2.6
119.01314	0.8
121.02835	4.8
123.00748	8.2
124.01588	1.2
125.01438	1.8
125.02338	32.6
126.02687	1.4
136.01514	0.9
136.98685	1.4
137.02353	1.7
137.99413	0.8
139.00278	2.4
140.01102	2.1
143.04892	1.5
145.02867	2.1
148.01497	1.0
151.00276	24.7
153.01848	2.3
153.09073	0.9
155.07056	4.6
159.04456	1.7
161.02284	0.9
162.03122	1.7
163.00249	2.5
164.01067	0.9
165.01802	0.9
165.98988	1.2
168.00581	3.8
169.01340	45.5
169.06363	0.8
170.01659	2.1
172.01627	1.9
178.99762	7.5
185.02370	1.5
185.05988	1.9
187.03886	1.7
188.01056	1.1
193.01340	1.6
199.03929	1.3
200.01050	2.0
201.05403	1.4
211.02318	1.6
211.04074	1.6
216.00542	3.8
227.03520	4.8
228.00554	1.4
229.01302	1.3
229.04872	4.1
242.99336	2.3
243.02937	2.0
244.00050	2.7
245.04515	1.4
255.02940	11.7
256.03497	1.8
257.01016	0.8
257.04529	2.2
258.01212	0.8
270.99042	3.9
271.02304	5.6
271.99594	1.4
272.02856	1.2
282.98889	1.3
283.02420	2.0
284.00076	1.4
284.03210	9.6
285.04025	62.3
286.04459	3.9
298.98547	1.8
299.01978	2.3
299.06104	1.0
299.99127	89.8
300.02585	7.8
300.99814	45.3
301.03506	48.3
301.06885	0.6
302.00360	1.9
302.03793	2.9
307.08304	1.9
313.05643	26.4
314.06223	1.3
316.02151	2.8
317.02817	1.7
319.00497	0.8
338.64252	0.8
445.03763	0.9
447.09579	4.4
463.09451	1.0
556.18530	0.8
599.10364	100.0
599.18951	5.1
600.10773	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	599.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	0.3
63.02275	2.5
65.00191	1.2
69.38721	0.9
69.39139	1.9
71.01237	0.6
73.90446	0.2
83.01250	2.0
85.02834	0.7
87.00719	0.3
91.01792	0.4
91.75742	0.3
93.03328	1.4
95.01251	0.7
98.20519	0.5
101.02338	0.5
107.01274	6.3
109.02839	0.7
111.00744	0.6
113.02323	0.6
117.03372	0.5
123.00774	3.4
124.01574	0.6
125.02325	6.7
135.00775	0.5
137.02365	0.5
139.00250	0.7
140.01047	0.9
141.01845	0.4
143.04936	0.9
145.02823	0.4
151.00273	12.5
152.00597	0.3
153.01855	0.5
155.04948	0.4
157.06477	0.6
159.04384	0.6
163.00316	1.4
164.01045	1.4
165.01797	0.5
167.04886	0.7
168.00534	1.7
169.01349	15.0
169.06508	0.9
170.01746	0.5
171.04402	0.7
179.03374	0.4
183.04436	0.3
184.05281	0.4
185.06035	1.6
187.03934	1.6
189.05504	0.4
195.04410	0.4
199.03902	0.8
211.03886	1.1
213.05409	1.8
214.02684	0.4
215.03412	0.5
227.03372	1.6
228.74164	0.3
229.05042	5.4
230.05388	0.4
233.60054	0.3
239.03412	1.1
240.04192	0.9
241.05008	1.2
255.02959	1.3
256.03506	0.6
257.04559	6.2
258.04755	0.4
284.03189	1.4
285.04037	100.0
286.04404	7.9
297.24872	0.3
312.41772	0.4
313.05655	37.7
314.06006	3.0
592.21136	0.3
599.10602	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48359	0.3
59.01250	1.2
61.79129	0.3
63.02263	1.0
65.00193	0.9
67.01780	0.5
67.77420	0.3
69.03331	1.3
69.53301	0.7
69.53706	2.1
71.00887	0.5
71.01257	4.7
73.02811	0.5
79.01767	0.8
81.03345	0.8
83.01265	1.1
85.02824	0.7
86.10109	0.3
93.03349	1.0
94.74160	0.3
95.01278	1.0
96.95924	0.6
97.02838	1.2
98.19827	0.7
101.02319	0.9
107.01266	11.7
109.02832	0.6
111.00768	1.5
113.02326	1.3
114.39592	0.3
123.00764	7.3
123.20844	0.3
124.01512	0.7
125.02340	59.7
126.02668	1.3
127.00251	0.6
135.00830	0.5
136.98677	0.9
137.02365	1.1
137.18681	0.4
139.00255	2.3
139.03851	0.4
139.57646	0.3
140.01060	1.4
141.01836	1.1
143.04939	0.6
151.00278	9.3
153.01834	0.8
159.04428	0.8
163.00256	1.0
164.01053	0.6
165.01793	0.4
167.03450	0.6
168.00589	2.4
169.01341	91.6
170.01711	3.4
171.04424	0.4
175.03867	0.4
178.99693	0.7
179.03352	0.4
181.04869	0.4
185.06004	1.0
187.03896	1.3
189.05528	0.5
190.02681	0.3
195.04468	0.7
197.06113	0.5
199.03845	0.9
201.05467	0.7
211.02391	2.3
211.04054	1.0
212.04582	0.4
213.05504	0.6
217.01421	0.5
217.05429	0.4
227.03441	14.4
228.03810	0.9
229.05061	3.8
239.03543	1.0
241.03325	3.5
243.02922	0.7
246.01631	1.1
247.02437	2.9
255.02975	25.7
256.03561	4.6
257.04568	3.3
267.02939	0.4
268.03528	0.4
271.02432	0.9
271.04840	0.8
283.02457	1.6
284.03259	37.5
285.04016	32.5
286.04373	2.9
300.02725	2.6
301.03485	1.0
313.05661	24.4
314.06052	1.3
327.05099	0.6
336.81378	0.4
409.07828	1.0
447.09351	5.5
448.09607	0.5
463.08994	0.8
555.11530	1.1
599.10413	100.0
600.10785	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	599.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01094	0.3
52.18666	0.3
55.13568	0.4
59.01236	1.6
61.70790	0.3
62.48483	0.3
63.02297	0.3
65.00194	0.5
67.01770	0.3
69.03326	1.0
69.23698	2.5
69.24115	1.4
71.01256	6.0
73.02812	0.5
79.01756	0.8
83.01263	0.9
85.02822	1.6
87.00763	0.6
89.02348	0.5
91.61359	0.3
92.90410	0.3
93.03340	0.8
95.01255	1.4
97.02845	1.2
98.20669	0.5
101.02305	2.2
107.01273	8.4
109.02844	0.4
111.00746	1.4
113.02348	2.2
123.00784	9.5
124.01566	0.9
125.02339	51.5
126.02714	1.6
127.00211	0.4
135.00763	0.5
136.98698	0.5
137.02280	0.5
137.61647	0.3
139.00266	3.1
139.03923	0.4
140.01070	1.6
141.01866	1.6
143.04878	0.4
151.00278	11.1
152.00624	0.5
153.01878	0.7
163.00253	0.8
165.01881	0.7
167.03474	0.4
168.00542	3.2
169.01341	86.1
170.01649	2.5
171.04488	0.4
185.06018	0.4
187.03865	0.5
193.01303	0.4
211.02292	2.3
211.04179	0.6
213.05504	0.7
223.02335	0.7
227.03467	8.0
228.03738	0.3
229.05130	2.0
239.03435	0.4
241.03406	4.6
253.03484	1.3
255.02965	15.7
256.03516	3.0
257.04514	2.4
271.04697	0.5
283.02451	1.1
284.03271	27.5
285.04031	23.9
286.04391	1.9
313.05661	24.8
314.05756	1.6
406.31714	0.4
447.09299	4.6
599.10425	100.0
600.10773	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	595.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44160	1.2
58.64903	1.0
59.01240	1.8
61.98689	2.8
71.57088	1.2
78.95775	66.1
79.01952	0.9
81.48318	1.0
81.69453	1.1
87.52737	1.1
96.95895	3.6
96.96841	11.2
118.85813	0.9
124.11121	0.9
152.99489	100.0
153.99762	1.4
171.00540	2.9
191.26402	1.1
199.19727	1.0
209.11694	1.3
223.00101	11.8
241.01146	23.3
254.50793	1.0
259.01929	1.5
264.16962	0.9
279.23282	59.1
280.23712	7.1
315.04886	20.1
333.05887	1.4
451.81122	1.0
595.28851	72.4
596.29047	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	595.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.1
57.03332	1.5
59.01253	18.4
60.99180	15.3
61.98707	32.5
62.98277	1.2
69.03311	1.1
69.23599	1.9
69.24003	10.8
71.01262	13.7
72.99181	3.3
73.02829	2.8
75.00759	4.3
76.49763	1.1
78.95811	2.0
83.01278	2.6
85.02831	5.6
87.00775	5.3
88.00259	2.2
88.98682	100.0
89.02325	20.8
89.70368	1.0
95.01287	1.3
96.95898	3.3
97.02849	1.7
98.20647	1.8
99.00780	1.5
99.04356	1.5
101.02341	9.9
105.97840	1.0
107.01284	3.0
111.00780	1.3
113.02322	3.9
119.03412	1.8
123.00798	6.7
125.02355	13.0
135.04446	1.5
139.00310	1.4
140.01045	3.0
149.41226	1.3
151.00293	4.4
153.01936	1.6
155.07111	1.1
161.04488	3.4
161.09628	3.9
163.00240	1.2
168.00571	4.0
169.01363	14.0
175.04022	1.1
178.99741	1.1
179.03513	1.3
179.10722	6.7
183.02975	2.1
189.01906	1.1
197.11699	1.3
201.01907	1.3
211.02495	2.3
211.13210	1.1
226.02661	3.1
227.03275	2.4
231.10553	1.0
242.08270	1.1
243.02950	5.4
255.02936	3.6
271.02463	23.8
271.05063	2.1
272.02859	3.4
273.03207	1.9
285.04007	1.8
300.02756	14.0
301.03445	4.8
302.03366	1.3
313.05734	1.8
322.89877	1.1
356.10287	1.2
389.21765	1.5
443.22687	1.7
535.32617	2.2
595.14355	18.3
595.24854	9.3
596.14905	4.4
596.26520	2.2
613.61377	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.289
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
50.48087	0.5
59.01252	1.2
61.98700	0.6
65.17950	0.5
69.45684	3.5
69.46103	1.4
70.89098	0.5
77.65260	0.4
78.35024	0.5
78.95776	64.2
92.97748	0.6
96.96841	12.1
144.51913	0.5
150.97937	0.8
152.99490	100.0
153.99847	1.0
167.12936	0.5
171.00557	2.7
216.99136	0.5
223.00064	8.8
241.01144	26.9
242.01306	0.8
259.02191	1.9
261.22299	0.8
279.23276	62.2
280.23627	5.1
299.99115	2.3
300.99802	1.0
302.55228	0.6
315.01245	1.0
315.04883	17.6
316.05133	1.0
333.05914	1.5
444.25839	0.6
595.28888	72.3
596.29236	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.0
57.59327	0.8
59.01250	100.0
60.01575	1.5
60.99181	6.8
61.98704	6.2
71.01252	23.5
71.37801	1.5
71.38123	1.0
72.99172	3.0
73.02811	2.2
82.77628	0.8
83.01264	2.4
85.02827	4.9
87.00756	8.7
88.00277	2.0
88.98679	44.0
89.02319	36.5
90.02699	1.0
95.01269	1.3
97.02850	1.0
101.02328	12.1
113.02313	11.0
116.71772	0.9
119.03396	11.6
123.00792	0.9
125.02341	7.0
125.93789	1.0
131.03429	1.7
137.02475	1.0
143.03397	3.4
144.65407	0.9
147.04388	1.2
149.04439	1.2
151.00299	1.3
153.01782	1.1
160.01488	0.8
161.04463	4.0
161.05716	1.0
167.38347	0.8
169.01387	5.0
177.01868	1.1
179.05531	8.4
179.10666	2.5
271.02408	3.1
285.04062	2.9
295.06091	2.8
299.99307	0.9
300.02649	2.2
301.03339	1.9
313.18018	2.5
355.19153	1.5
397.20065	1.5
439.97296	1.0
459.40567	0.9
470.96066	0.9
595.14294	4.7
595.27405	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	595.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39896	0.4
57.03317	0.7
59.01255	7.2
60.10242	0.4
61.98705	3.6
63.02271	2.5
65.00195	5.0
71.01255	4.2
71.16149	1.2
72.99174	1.6
73.02820	1.0
75.00745	1.4
83.01256	3.6
83.04891	0.6
85.02838	1.2
87.00756	0.7
88.98676	0.9
89.02311	2.4
93.03328	1.8
95.01255	0.6
96.95912	2.0
101.02318	2.5
107.01266	9.2
109.02830	4.7
111.00792	0.5
113.02325	1.1
119.03368	0.9
119.04974	0.5
121.02842	8.0
123.00766	1.6
123.04399	0.5
124.01548	0.5
124.03947	0.6
125.02340	4.3
131.03395	0.6
133.02832	0.7
135.00761	0.9
135.04411	0.8
136.98775	0.5
137.02350	1.5
139.00197	0.5
139.03912	1.0
140.01036	0.5
145.02927	0.6
148.01654	0.5
149.02361	1.6
150.03119	0.4
151.00287	34.1
152.00713	1.2
159.04445	0.9
161.02321	1.4
161.04443	1.0
161.05922	0.5
161.09535	0.4
163.00267	3.6
163.03932	0.7
163.07437	0.4
164.00905	0.5
165.01852	0.7
165.12759	0.6
166.05016	1.6
168.00523	0.8
169.01343	6.9
173.06110	0.5
175.00294	0.5
175.03943	0.9
178.99799	15.6
180.00165	0.7
181.05043	0.5
183.02908	1.0
183.04402	0.7
184.06065	0.7
185.06058	0.6
187.04005	1.0
191.03345	0.4
192.00410	0.5
193.01479	1.0
193.05017	0.5
199.03888	0.9
201.05502	1.2
203.03535	0.4
205.04991	0.5
205.40858	0.4
209.11754	0.4
211.03987	1.8
213.01874	0.5
227.03416	2.2
229.04958	1.3
239.03548	0.7
241.14488	1.2
243.02953	1.0
245.04521	2.1
255.02983	5.4
256.03464	0.7
257.04453	0.9
271.02374	2.8
271.65268	0.4
272.02957	0.5
273.04041	2.7
283.02469	1.7
284.03088	0.8
299.01981	0.6
299.99118	1.4
300.02750	4.4
301.03525	100.0
302.03848	8.2
346.11316	0.5
355.00833	0.5
367.04794	0.6
368.05176	1.0
373.25583	0.6
374.26431	0.7
407.57965	0.5
411.03595	5.8
412.04297	1.7
433.07663	3.4
433.28915	0.5
543.34448	0.4
595.11206	7.4
595.24561	2.7
595.34924	0.6
596.11530	0.9
596.23700	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	595.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.7
59.98344	0.2
61.98698	0.9
63.02270	2.9
64.99855	0.2
65.00197	5.1
71.01237	1.3
71.58331	0.3
72.99187	1.6
73.02829	0.3
75.00735	0.8
83.01252	2.9
85.02829	0.4
87.00777	0.3
91.01763	0.4
93.03351	1.9
95.01274	0.5
96.95902	1.0
97.02850	0.4
101.02329	0.6
107.01270	9.6
108.01527	0.3
108.88850	0.2
109.02843	2.6
111.00762	0.5
113.02319	0.4
117.03366	0.4
119.01280	0.6
119.04939	0.6
121.02839	8.0
122.03160	0.4
123.00786	0.5
123.04399	0.3
125.02359	2.3
133.02824	0.3
134.03612	0.3
135.00768	0.3
135.04390	0.8
137.02373	0.4
139.03911	1.0
145.02814	1.3
146.03281	0.4
147.00763	0.4
147.04462	0.6
148.01585	0.4
149.02382	1.8
151.00278	35.8
152.00638	1.3
153.01801	0.4
159.04420	0.8
161.02374	1.6
161.05994	0.3
163.00269	2.3
163.03915	1.1
164.01030	0.5
164.04692	0.6
165.01846	0.7
167.04962	0.4
168.00513	0.3
169.01357	6.2
170.01721	0.4
171.04404	0.3
173.02472	0.3
173.05963	0.3
175.00278	1.7
175.03922	0.6
178.79785	0.3
178.99785	17.5
180.00200	0.8
183.04491	0.4
185.05992	0.4
187.03938	1.0
190.02649	4.6
190.99783	0.3
192.00536	0.4
193.01384	0.7
199.04036	0.4
201.05429	0.7
203.03412	0.7
205.05005	5.1
205.06828	0.4
211.03958	1.9
213.01895	0.4
214.02501	0.3
215.03418	0.3
223.06158	0.9
227.03473	3.4
228.03830	1.8
229.05092	1.9
230.05577	0.6
231.03001	0.3
239.03461	0.7
240.04137	0.4
243.02913	1.0
245.04509	2.2
255.02985	6.6
256.03360	3.1
257.01163	0.4
257.03616	1.9
258.04657	0.4
266.02295	0.3
271.02408	2.6
272.02985	0.4
273.04034	2.6
283.02542	0.8
284.03226	3.3
285.03867	5.6
286.04147	4.4
287.04501	2.1
299.01898	0.7
300.02701	3.3
301.03516	100.0
302.03845	8.2
302.07281	0.5
311.72372	0.2
369.67709	0.2
433.07809	2.3
443.15372	0.4
448.10034	0.3
557.13324	0.7
595.12512	9.0
595.27649	6.0
596.11682	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	593.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68935	0.5
57.52451	0.6
58.55085	0.5
59.01246	1.0
62.36084	0.6
66.34639	0.6
68.23896	0.5
72.66499	0.6
77.51582	0.6
78.95777	66.1
79.68896	0.5
82.06203	0.6
83.10197	0.5
83.26655	0.6
90.63686	0.6
93.60693	0.6
96.96845	12.2
96.97425	1.2
98.19796	1.1
132.63553	0.6
150.97958	1.1
152.99492	100.0
153.99814	1.7
170.87921	0.6
171.00568	2.7
223.00099	12.6
241.01161	25.2
259.02200	2.2
262.01050	0.7
277.21729	46.9
278.22021	4.4
315.04877	19.2
316.05432	0.8
333.05988	1.6
500.72217	0.7
507.35770	0.7
593.27301	76.0
594.27740	11.8
594.36646	0.4
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	Unknow
Peak:m/z	Relative Intensity
51.71013	0.8
52.48322	0.8
55.77753	0.8
55.96837	1.0
59.01249	5.1
78.56677	1.0
89.02325	1.2
92.84904	0.8
96.95901	1.2
101.02374	1.5
107.01241	1.0
113.02296	1.0
125.02399	2.0
132.02083	1.1
151.00250	3.4
159.04416	1.0
163.00330	1.1
169.01294	2.5
183.04390	0.9
183.08182	0.9
185.06120	1.2
211.03944	1.6
213.05391	1.1
227.03447	33.3
228.03967	1.8
229.05037	6.0
239.03401	1.2
241.05095	1.0
246.01764	1.1
247.02359	1.7
255.02971	61.4
256.03510	7.6
257.04550	2.2
284.03259	86.1
285.03976	37.2
286.04361	3.1
301.51477	1.1
327.05170	1.3
431.18039	1.1
436.45764	0.9
443.96423	1.0
479.11996	1.0
593.15149	100.0
593.23206	4.2
594.15424	14.1
594.23877	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	593.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	0.5
63.02275	0.7
65.00213	0.8
71.13524	0.3
71.44635	0.6
76.53536	0.3
83.01268	0.5
91.01782	0.5
93.03338	1.5
96.95880	0.3
100.24417	0.2
105.85321	0.2
107.01265	2.4
109.02832	0.8
117.03356	0.4
121.85802	0.3
123.00820	0.4
125.02319	0.5
132.02119	0.9
135.00768	1.8
137.02357	0.4
143.04916	1.0
145.06485	0.4
151.00269	2.4
153.01889	0.7
154.04178	0.4
157.06465	0.8
159.04419	1.1
163.00266	3.5
164.00961	0.4
165.01772	0.3
167.04959	0.6
169.01335	0.5
169.06490	0.9
171.04451	0.8
173.02438	0.3
173.05931	0.6
178.99777	0.5
183.04475	1.4
185.02412	0.4
185.06017	2.5
186.06277	0.3
187.03955	3.1
188.04376	0.4
188.82913	0.3
189.05504	1.1
190.99873	0.5
195.04448	0.9
197.06013	1.1
199.03999	1.2
201.05453	0.6
211.03946	3.2
212.04605	0.6
213.05513	2.2
214.02545	0.4
215.03459	0.5
217.05182	0.3
227.03452	36.5
228.03789	2.6
229.05019	12.9
230.05371	1.0
239.03458	2.3
240.04156	0.8
241.05037	1.8
243.03006	0.5
255.02972	57.8
256.03464	7.7
257.04526	8.9
258.04846	0.6
267.02975	1.3
283.02615	0.6
284.03262	69.5
285.04016	100.0
286.04370	8.7
286.07404	0.5
327.05133	1.3
392.38867	0.3
432.49023	0.3
505.85815	0.3
593.15106	84.0
594.15417	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	593.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90168	0.5
57.03278	0.6
59.01247	4.0
61.98690	0.7
63.02266	1.0
65.00191	1.3
70.91922	1.4
72.35735	0.5
73.02795	0.5
75.03407	0.6
83.01257	1.6
85.02809	1.4
89.02279	0.9
93.03335	1.5
96.95892	1.0
101.02354	1.3
107.01269	3.6
107.04868	0.7
108.02097	0.7
109.02834	0.9
109.06507	0.8
113.02277	0.6
117.03347	4.6
119.04917	3.4
121.02840	1.0
123.00814	0.6
125.02312	1.3
132.02086	1.2
135.00729	1.6
135.04402	0.7
137.05957	1.8
143.04915	1.0
145.02859	12.7
148.43214	0.5
151.00262	5.2
157.06468	0.8
159.04460	1.3
161.09689	0.6
163.00296	2.7
163.03876	2.0
164.01079	0.6
165.01880	0.7
166.06303	0.5
167.04921	0.6
169.01366	3.3
169.06480	0.9
171.04390	0.6
176.61652	0.5
181.05025	6.5
183.04439	1.5
185.05997	2.2
187.03842	3.1
187.11206	0.9
189.05591	0.6
189.09030	0.6
195.04425	0.7
196.05038	0.7
199.03909	0.8
200.04639	0.8
201.05545	1.0
211.03975	3.8
212.04495	0.9
213.05518	1.3
227.03455	39.3
228.03755	2.7
229.05006	9.9
239.03448	1.8
240.04042	1.2
241.05112	1.8
255.02972	67.9
256.03604	10.6
257.04532	7.8
267.02963	1.2
283.02496	1.2
284.03271	73.8
285.04025	100.0
286.04401	7.0
299.99271	3.8
300.99829	1.8
307.08273	5.3
325.03601	1.6
343.10263	2.0
373.26205	1.3
447.09387	4.7
593.13110	66.3
593.21759	2.6
594.13348	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	593.1302
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
50.31787	0.5
59.01253	1.1
63.02255	1.5
65.00197	1.0
83.01266	1.1
90.33786	0.5
91.01751	0.5
93.03347	1.6
107.01282	3.3
117.03346	4.5
119.04928	4.1
125.02380	0.8
132.02074	2.1
133.02837	0.7
135.00798	1.6
143.04871	0.8
145.02853	15.3
146.03148	0.7
151.00290	5.2
153.01756	0.7
157.06506	0.7
159.04372	1.2
163.00313	2.9
163.03935	2.6
164.01074	1.2
166.23102	0.5
167.04987	0.7
169.01329	1.8
169.06480	0.9
171.04399	0.9
178.99799	1.0
183.04378	1.4
185.05981	3.1
187.03903	3.3
189.05440	1.1
190.99846	0.9
197.05992	1.3
199.03943	1.3
200.04630	1.0
211.03947	3.9
212.04572	0.8
213.05492	2.3
214.02585	0.8
227.03445	45.6
228.03917	3.1
229.05003	10.8
230.05492	0.6
239.03445	1.7
240.04111	1.0
241.04974	1.8
255.02965	76.2
256.03577	11.2
257.04544	7.4
258.04868	0.7
267.02994	0.7
283.02353	1.2
284.03262	79.0
285.04016	100.0
286.04333	6.4
307.08234	5.7
447.09085	3.9
593.12994	71.6
594.13367	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	593.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.3
60.39874	0.5
63.02258	0.6
65.00191	1.0
69.39217	2.7
69.39647	2.2
83.01268	0.8
91.01813	0.7
93.03345	1.8
101.02310	1.1
107.01268	4.2
109.02795	0.6
112.71217	0.6
112.79637	0.5
113.02303	0.7
117.03333	5.0
119.04925	4.1
119.72800	0.5
125.02331	2.1
127.62344	0.5
132.02071	1.5
135.00783	0.9
145.02852	18.9
146.03192	0.5
151.00258	6.0
154.45038	0.6
157.06474	1.1
159.04474	0.6
163.00313	2.8
163.03909	3.3
164.01096	1.0
167.04958	0.8
169.01277	3.5
169.06506	1.0
171.04350	0.9
183.04465	1.9
183.10132	0.9
185.02338	0.8
185.06004	2.2
187.03963	1.8
189.05409	0.6
197.05994	0.8
199.04004	0.9
200.04648	0.7
211.04024	3.5
212.04634	0.8
213.05556	0.9
227.03445	46.9
228.03862	3.1
229.05014	7.9
239.03452	1.9
240.03992	1.1
241.05092	1.4
255.02969	80.8
256.03580	12.3
257.04587	5.8
283.02377	1.4
284.03259	100.0
285.04013	96.6
286.04312	4.8
299.06073	0.6
307.08176	4.4
327.04999	0.9
327.39236	0.6
447.09256	5.3
448.10303	0.7
557.12561	1.6
593.12976	78.8
594.13403	14.5
610.56720	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	7.0
60.89043	0.4
60.89903	0.3
61.66240	0.4
61.98703	2.9
63.02271	0.9
65.00195	1.5
71.01258	4.1
71.58055	0.5
72.99194	0.9
73.02800	1.4
78.68183	0.4
78.95781	2.6
79.34542	0.4
83.01250	1.3
83.04880	0.4
85.02821	1.7
86.02357	0.9
87.00758	3.9
88.98674	0.9
89.02308	1.3
93.03349	0.6
95.01239	0.5
96.95915	0.7
97.02857	0.6
99.00732	0.5
101.02327	2.3
107.01269	3.5
108.02049	1.7
109.02848	1.4
111.00747	0.6
113.02332	1.7
119.01302	0.5
121.02836	1.3
123.00803	0.6
124.01533	0.6
125.02309	2.2
125.65411	0.4
131.03401	0.5
133.02927	0.5
134.03596	0.4
135.00758	0.9
136.01526	0.4
137.02310	0.5
148.01558	1.2
149.02353	0.5
151.00278	8.9
152.99493	1.5
153.01845	0.5
159.04361	0.6
161.02351	0.7
161.04437	0.8
163.00322	2.4
163.04013	0.4
165.01848	0.4
167.04936	0.4
169.01350	2.3
174.03123	0.6
174.60216	0.4
175.03867	0.7
178.99788	4.6
183.04524	0.6
187.03853	0.7
188.04681	0.9
190.02614	0.6
190.99744	0.5
198.03119	1.8
199.03891	2.7
201.01917	0.7
203.03294	0.5
209.11867	1.8
211.03979	1.1
211.13358	1.4
215.03444	1.2
216.04192	1.4
226.02643	6.7
227.03442	6.2
228.03920	0.9
229.05022	0.4
231.25560	0.4
239.03670	0.4
241.10664	0.6
242.02141	0.5
243.02972	22.0
244.03404	1.8
245.04517	0.5
254.02209	5.6
255.02971	24.9
256.03351	1.7
271.02472	100.0
272.02954	10.3
273.03900	0.7
283.02374	0.7
284.03171	1.4
285.04037	1.6
299.01935	1.6
300.02744	91.4
301.03424	25.3
302.03931	1.3
343.04507	1.1
355.06647	0.4
371.27884	1.1
401.25327	0.9
445.07751	0.7
533.25952	0.7
533.33435	8.0
575.25488	0.4
593.13019	72.3
593.26245	2.5
594.13385	12.1
620.69629	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.5
61.98685	2.1
65.00200	1.6
69.66161	2.5
69.66576	1.2
71.01259	3.0
72.99184	0.6
73.02813	0.8
73.26942	0.5
78.95771	2.5
83.01251	1.4
85.02827	1.4
87.00739	0.8
88.98682	0.7
89.02304	1.6
91.01773	0.7
96.95863	0.8
101.02328	2.2
101.42046	0.5
107.01273	3.3
108.02063	1.2
109.02829	0.8
113.02331	1.0
119.01273	0.9
119.03418	0.5
121.02846	0.8
125.02328	1.5
133.02818	0.8
135.00758	1.3
137.09743	0.5
147.04413	1.4
148.01607	0.6
151.00290	7.7
152.99506	1.5
153.46141	0.5
159.04408	1.0
161.04514	1.0
161.05919	0.6
163.00299	2.9
164.00928	0.6
169.01315	1.4
171.04408	0.6
173.02417	0.6
174.03081	1.1
178.99770	4.9
185.06038	0.9
187.03845	1.3
188.04645	0.6
190.02650	0.8
190.99812	0.6
198.03117	1.3
199.03960	1.8
201.01900	0.8
203.03452	0.6
209.11780	1.0
210.12183	1.0
211.03961	1.4
215.03447	1.4
216.04268	1.2
226.02643	7.8
227.03427	7.6
229.05054	2.5
243.02959	24.6
244.03345	2.3
254.02208	7.5
255.02954	15.6
256.03391	1.5
257.04547	1.6
271.02478	100.0
272.02948	10.1
273.04044	0.6
283.02435	0.6
284.03345	1.1
285.04047	13.0
286.04382	0.9
299.01978	1.3
300.02753	65.0
301.03448	23.8
302.03787	1.8
308.40582	0.5
343.04666	0.7
445.36792	0.6
533.26215	0.9
533.33258	3.7
542.23193	0.6
593.13025	80.0
594.13342	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	0.3
61.98687	0.2
65.44952	0.2
71.36800	0.3
77.03853	0.2
82.57280	0.2
88.46865	0.2
91.01775	0.3
95.01234	0.2
120.02081	0.7
121.02845	100.0
122.03177	3.5
126.95732	0.2
136.01526	0.5
159.20818	0.2
165.01845	4.8
175.03842	0.2
180.05702	0.4
181.05042	0.3
181.06525	2.3
182.06879	0.2
197.06004	1.8
207.04401	0.8
209.04497	59.2
210.04840	3.0
223.04065	0.3
225.05528	2.0
251.07150	0.2
257.09641	0.7
285.09494	0.3
313.07166	1.9
314.07413	0.3
331.46634	0.2
357.06296	1.3
373.10971	0.4
383.07800	1.1
401.08725	0.3
417.09937	1.0
451.44424	0.2
505.11365	3.0
506.11841	0.3
549.10413	6.7
550.10742	1.2
593.13025	7.9
594.13458	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	593.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08307	0.3
59.01249	4.4
61.98700	2.8
66.62903	0.2
70.91943	0.8
71.01266	2.5
72.99192	1.0
73.02837	0.4
83.01283	0.4
85.02850	0.8
87.00771	0.5
88.98716	0.4
89.02338	1.3
95.01222	0.3
96.95922	1.0
101.02317	1.8
104.99847	0.3
107.01255	0.7
109.02840	0.3
113.02332	0.6
119.03409	0.4
122.73630	0.3
123.00796	0.7
123.04396	0.3
125.02359	1.3
131.03413	0.5
132.02066	0.7
144.02132	0.3
145.02888	0.4
147.04411	0.9
149.04424	0.3
151.00322	0.6
151.03868	0.3
157.02914	0.4
159.55792	0.3
160.01567	1.1
161.02420	0.4
161.04449	0.5
163.00359	0.3
168.00610	0.5
169.01344	1.7
172.01613	2.8
173.02386	0.7
175.00320	0.3
176.01106	0.7
185.02350	0.9
187.00291	0.3
188.01085	1.1
190.02603	0.5
191.05586	0.6
200.01051	2.3
201.01918	0.8
216.00609	3.6
217.01222	0.5
226.99754	0.9
227.03484	1.5
228.00609	1.2
229.01405	1.5
230.99512	0.3
242.99335	2.1
244.00136	3.3
245.00777	0.6
255.03036	1.6
257.00848	0.8
270.98889	2.0
271.99646	2.2
273.00238	0.5
282.98950	1.4
283.99524	1.3
284.03256	1.9
285.03900	2.1
298.98306	1.7
299.99115	100.0
300.99832	51.9
302.00253	3.8
327.01355	0.3
373.25528	0.4
431.15402	0.3
445.04309	1.7
530.23047	0.5
533.32355	0.4
593.09320	54.6
593.24854	1.3
594.09668	10.7
594.24817	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81727	0.8
55.01747	2.3
57.03314	2.0
58.00463	1.7
59.01254	39.9
61.98698	3.9
63.38174	0.7
69.03310	1.3
71.01258	19.4
71.58366	1.2
72.99187	1.2
73.02819	5.4
78.95786	7.3
83.01260	3.1
85.02837	9.9
87.00745	2.6
89.02320	4.7
95.01250	2.3
96.95911	1.1
96.96873	0.7
99.00755	1.8
101.01705	1.1
101.02322	14.2
103.62810	0.8
111.00759	2.0
111.04434	1.0
113.02343	6.7
119.03395	2.3
123.00735	1.4
125.02367	3.6
131.03383	1.0
138.01822	2.2
143.03444	1.1
148.49023	0.9
149.04446	0.9
152.99490	2.9
157.12305	0.9
159.02907	2.0
159.44701	0.8
161.04485	3.9
161.09599	1.4
163.11169	1.1
167.14308	1.5
169.01413	4.0
171.10219	0.7
175.03821	0.7
177.01805	1.2
177.12914	0.7
179.05508	1.1
179.10706	2.7
199.13414	0.8
201.11168	0.8
209.11810	5.7
211.13495	0.8
221.11885	0.9
223.09770	1.1
223.13431	0.9
227.12814	2.0
250.11491	0.7
265.10950	1.1
267.12268	0.9
277.12985	2.4
307.27487	0.8
308.08707	0.9
325.12955	2.2
363.12198	2.9
369.26489	9.8
370.26773	1.0
381.13266	1.1
385.14944	1.8
399.23743	3.1
452.12784	2.6
513.30554	3.0
531.31793	100.0
532.32025	12.8
591.24988	5.5
591.34711	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2613
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
86.94277	0.8
87.30618	0.8
89.79086	0.8
94.11953	0.9
98.20551	2.1
100.95020	0.8
183.17995	0.8
217.55405	0.7
366.12823	0.8
443.22348	2.5
459.21814	3.4
471.25650	3.0
472.22449	2.0
473.23212	1.7
482.21487	2.0
485.19794	2.7
487.25259	1.5
489.21997	0.8
496.22031	0.8
497.23462	5.1
499.21274	3.9
500.22134	13.3
501.22421	2.5
514.23810	1.5
515.24518	100.0
516.24896	18.9
559.23486	3.0
580.74762	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85822	0.6
56.42572	0.7
57.03313	0.9
59.01250	11.1
61.98700	3.3
66.59079	0.6
71.01259	6.3
71.51814	1.3
72.99178	0.8
75.00760	0.7
78.95779	100.0
80.02558	1.1
81.03336	1.7
82.46118	0.7
82.95313	0.8
83.01255	1.4
83.04904	7.8
84.02059	1.6
85.02822	1.7
88.98672	1.2
89.02326	3.4
95.04893	0.9
96.95888	1.2
96.96851	8.1
101.02341	3.4
107.90759	0.7
108.02055	0.7
113.02330	2.7
119.03413	1.3
123.00740	0.8
125.02337	1.0
128.65771	0.6
134.98419	1.3
135.04387	3.6
135.08080	1.1
144.62106	0.7
150.97948	0.9
152.99493	58.8
161.04515	1.4
163.11206	5.6
165.12741	3.9
165.93982	0.6
169.01353	1.9
171.10217	0.7
179.03313	0.7
181.12378	0.7
182.85841	0.6
191.10725	1.2
209.11781	84.6
210.12151	4.7
227.12843	13.4
228.13214	0.8
311.43097	0.7
363.12170	42.1
364.12634	3.7
369.26575	1.5
381.13156	14.0
382.13528	1.3
399.23880	1.4
531.31787	9.1
532.31818	1.8
591.25775	34.3
592.26013	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	590.391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14763	0.5
55.01752	1.9
57.03328	2.0
58.00465	4.2
59.01250	100.0
60.01608	1.1
60.95909	0.6
69.22230	7.5
70.02866	1.5
71.01252	63.1
72.01588	0.7
72.99179	7.7
73.02824	1.7
75.00773	0.6
83.01263	3.6
83.04904	2.9
85.02827	9.4
85.06477	2.0
87.00760	2.7
88.03925	2.1
89.02317	75.3
90.02659	1.3
95.01260	3.3
97.06519	1.1
98.02367	0.9
101.02322	44.3
102.02668	1.0
108.08080	5.1
113.02335	25.0
118.21072	0.5
119.03388	39.7
121.06605	0.5
126.09134	4.6
131.03395	3.4
138.09154	2.5
143.03429	4.4
149.04488	2.1
156.10194	1.4
161.04462	4.8
166.08685	1.7
179.05528	12.6
184.09753	2.3
223.20750	0.6
225.22183	13.2
226.22464	0.9
244.13257	0.8
253.21709	2.4
270.24408	1.8
271.22733	6.6
272.23248	0.7
296.25961	4.1
312.25555	1.2
324.25427	0.8
330.97958	0.6
380.31760	1.6
392.31793	4.1
393.31894	0.7
410.32742	43.2
411.33032	6.2
428.33780	17.8
428.39627	0.7
429.34250	2.2
501.62122	0.6
539.44171	0.6
590.39069	48.3
591.39404	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	591.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	6.4
68.47466	0.8
68.82822	0.9
69.28999	4.6
69.29421	4.3
71.01244	4.2
71.07663	0.8
73.02798	0.9
80.06040	0.9
80.81673	0.7
83.01245	0.9
85.02824	1.8
87.00743	1.3
89.02322	2.3
91.21732	0.7
101.02309	1.9
106.04121	1.4
113.02330	2.0
125.02351	1.3
133.02921	1.0
147.04433	1.8
161.02351	1.6
161.04489	0.8
161.09720	0.8
168.00551	0.8
169.01289	2.4
173.02325	2.6
175.03918	2.2
179.05429	0.8
187.11267	1.4
189.01892	3.5
190.02646	17.0
191.03429	8.5
201.01895	1.0
202.02638	1.2
203.03510	2.3
209.46655	0.8
215.03464	1.9
217.01366	19.7
218.00107	1.3
218.02148	17.3
219.02907	4.4
223.13377	1.7
229.01259	1.0
243.02922	11.9
245.00783	1.7
246.01674	54.6
247.02444	100.0
248.02824	5.5
267.12418	1.9
278.00760	0.9
285.04150	1.0
299.99213	1.0
300.99982	0.9
326.24115	0.9
369.15613	1.7
391.06787	3.4
401.51529	0.9
409.07623	1.9
409.62430	0.8
429.17526	1.7
531.07135	0.9
547.14575	60.3
548.14850	7.1
591.13544	12.2
591.22974	2.9
592.13318	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.0
71.01265	0.3
72.99183	2.1
75.00745	100.0
76.01089	0.9
83.09180	0.3
89.02312	0.5
101.02373	0.3
114.48721	0.3
124.69427	0.3
234.27798	0.4
277.21741	0.6
391.35300	0.3
589.37482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	17.1
69.56102	5.0
69.56511	1.7
71.01250	3.6
73.02805	0.8
78.95779	0.9
80.91702	1.0
85.02800	1.1
89.02317	2.9
90.56652	0.7
91.34725	0.7
99.92433	0.8
101.02309	3.9
113.02313	2.2
116.92726	1.2
119.03377	1.1
119.60052	0.9
143.16812	0.7
161.04376	0.9
229.76181	0.8
235.08167	1.3
253.09280	14.1
288.11780	0.8
293.24869	100.0
294.25174	9.7
562.83191	0.8
566.64746	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2661
Annotation	7'-[1-(acetyloxy)ethyl]-7'-deoxo-2'-deoxy-3',4'-dihydroxyverrucarin A
Peak:m/z	Relative Intensity
51.17355	0.5
59.01254	14.5
61.98702	6.6
67.01752	1.3
68.99688	0.8
69.03338	1.1
71.01256	6.6
71.15462	1.0
72.99179	1.2
73.02805	1.6
75.00751	1.1
78.95753	0.7
79.01773	1.3
82.95258	0.6
83.01244	1.2
85.02819	2.1
87.00712	1.1
88.98652	0.7
89.02318	2.7
94.37975	0.6
95.01266	2.4
96.95893	1.8
97.02824	1.0
101.02335	2.8
107.01293	4.7
109.02824	0.7
110.00024	0.8
111.00791	3.1
113.02326	3.2
123.00777	20.5
125.02337	20.4
127.00214	1.4
136.98686	1.8
137.02309	0.6
139.00252	5.9
140.01073	4.9
141.01866	3.3
151.00276	11.7
151.03903	0.8
152.99542	0.6
153.01816	0.6
159.10179	1.0
161.04456	1.4
168.00557	8.3
169.01341	24.7
169.02776	1.3
170.01591	1.1
177.03946	1.1
182.02208	0.6
197.11620	0.8
209.11699	1.4
211.02423	2.8
211.13358	1.1
271.04642	1.4
271.64697	0.7
278.37927	0.6
313.05774	0.7
329.05121	1.4
382.56683	0.6
525.26532	0.7
527.25067	0.9
529.29950	2.1
573.23505	0.6
589.26459	100.0
590.26862	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	588.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.7
58.00460	5.1
59.01251	100.0
61.98706	1.6
65.03837	10.2
69.03329	4.7
71.01254	64.5
71.56858	2.3
72.01601	1.7
72.99185	7.2
75.00762	10.5
81.03330	6.9
83.01280	1.8
83.04902	4.1
85.02817	9.8
87.00745	2.3
87.70420	1.7
89.02319	78.5
93.03339	15.7
95.01262	4.7
95.04894	3.2
96.95889	3.3
98.02417	1.5
101.02322	45.6
102.02702	2.0
111.04420	2.8
112.73740	1.5
113.02329	23.3
119.03395	39.5
119.04747	2.1
125.02355	2.9
131.03355	3.6
136.07526	3.7
137.05992	5.6
143.03415	6.1
146.51978	1.8
146.54785	2.2
149.04413	3.4
154.08670	1.7
155.47453	1.6
161.04468	6.3
179.05518	13.3
182.08234	1.9
200.06639	1.5
225.22160	16.9
270.24341	11.9
271.22775	6.9
296.25876	5.0
316.96310	2.2
324.10391	1.7
390.30179	10.3
408.31161	33.5
409.31635	4.0
426.32083	12.5
478.08167	1.9
588.37555	30.6
589.37799	5.2
618.66016	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.4
59.01252	100.0
60.01573	1.1
61.98706	8.9
65.33023	0.5
66.02300	0.5
69.03332	1.4
71.01253	10.8
71.01613	0.8
71.04908	1.2
72.99247	0.5
73.02820	3.1
74.74582	0.5
83.01270	0.7
83.04922	1.2
85.02827	4.5
87.00742	0.6
89.02320	5.8
90.60632	0.5
93.03352	0.9
93.06999	2.1
95.01270	1.1
97.02872	0.8
99.00762	1.4
99.68292	0.6
101.02327	8.8
107.01293	1.9
107.04930	0.6
109.06495	2.1
111.00770	0.8
111.08033	4.5
113.02330	7.0
119.03414	2.0
121.02850	4.1
122.03654	1.4
123.00777	1.9
125.02349	16.3
125.05991	1.5
135.04442	1.5
137.05983	4.8
139.00320	0.9
143.03448	1.1
149.02339	4.4
150.03157	11.5
151.00328	2.6
151.03506	5.2
152.03679	1.7
155.07048	68.3
155.10588	3.1
156.07408	2.1
159.02879	2.7
161.04468	15.8
163.16338	0.6
164.04732	1.3
165.05495	10.5
166.05827	5.7
167.06018	2.0
168.00603	1.5
169.01347	19.0
175.98332	0.5
179.03430	1.1
179.05534	0.9
195.06575	6.5
196.06898	4.6
197.07169	2.1
205.03635	0.7
211.02437	1.1
227.03464	3.5
227.16489	8.6
228.03818	2.5
228.16937	0.8
229.04094	2.0
242.68776	0.5
250.35851	0.6
255.02968	3.7
256.03397	3.5
257.03662	2.2
270.86646	0.6
284.03339	2.2
285.03738	3.5
286.04153	3.7
287.04816	0.9
300.99777	0.7
313.05746	0.7
328.12817	0.9
329.13470	1.4
342.10675	0.7
359.14780	0.7
360.15454	1.3
361.15799	1.8
371.15305	0.7
372.15707	1.1
373.15753	2.0
389.21826	15.6
390.22232	1.7
417.08542	1.5
433.20859	1.3
435.09274	2.3
509.21341	1.2
536.67175	0.5
539.21887	7.6
540.22144	0.7
587.10272	4.9
587.17023	8.8
587.27722	2.0
587.96783	0.7
588.10278	0.9
588.18243	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11028	1.6
52.83316	1.5
55.08954	1.6
57.03322	9.0
59.01254	6.8
61.98695	5.8
71.56644	1.7
71.57043	2.9
78.95764	2.2
83.04906	8.6
95.04945	1.7
96.95895	5.3
97.06470	11.6
109.06473	2.9
111.08046	54.0
111.08799	3.1
123.08064	5.7
125.09622	95.6
126.09964	4.0
129.09120	2.2
142.79315	1.6
143.10815	2.2
167.03970	1.8
169.08644	2.4
173.08125	29.9
187.09708	78.9
188.10034	3.3
211.09650	1.6
211.13261	2.7
225.11140	2.3
243.12270	4.1
247.11897	7.1
261.13461	9.8
364.25916	1.9
417.21341	26.2
418.21606	3.6
431.22977	16.3
432.23209	2.0
464.95847	1.8
587.30774	100.0
588.31268	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	587.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92251	0.7
55.01731	0.7
57.03319	1.4
59.01254	13.6
59.27166	0.6
60.99185	2.3
61.98708	8.4
64.15141	0.6
65.00190	0.7
67.01762	1.2
69.03305	1.3
71.01250	8.0
71.06421	1.5
72.99176	1.6
73.02821	1.1
75.00748	1.3
78.91759	1.2
78.95809	0.7
79.01760	2.0
80.63499	0.8
80.91531	1.0
83.01247	2.1
85.02827	3.1
87.00733	1.5
88.98676	14.0
89.02302	5.6
95.01268	3.0
96.95892	2.6
97.02816	1.5
99.00779	1.1
101.02317	5.1
107.01268	5.2
111.00747	4.2
113.02316	2.1
119.03391	2.0
121.02863	0.9
122.99911	1.5
123.00773	20.6
124.01623	1.3
125.02341	23.9
126.02702	0.9
127.00244	1.0
135.04433	1.3
136.98717	1.4
139.00250	4.5
140.01060	4.9
141.01794	2.9
150.99110	1.4
151.00272	14.5
152.00502	0.8
153.01871	1.9
155.07047	2.0
159.04413	0.8
160.01567	1.3
161.02393	0.7
161.04408	1.3
166.99736	1.3
168.00584	4.9
168.99957	1.4
169.01347	27.0
170.01657	1.5
171.10161	0.8
175.03891	1.2
179.03380	0.8
183.04388	1.1
193.01314	0.8
193.04990	1.5
197.11742	0.8
211.02405	2.1
227.03453	44.4
228.03802	5.4
246.40065	0.8
255.02975	58.0
256.03513	8.7
263.87631	0.8
269.04449	0.7
284.03268	35.0
285.03949	17.1
286.04309	1.0
299.99100	3.0
300.99872	2.4
313.05591	1.1
336.30917	0.8
416.69580	0.8
525.23608	1.4
525.97931	0.8
587.17651	47.5
587.30627	100.0
588.17944	9.4
588.31006	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	587.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.3
57.03332	2.1
58.00478	1.6
59.01252	100.0
61.98710	13.8
69.03323	1.9
69.39631	12.3
71.01252	23.5
72.99183	2.0
73.02825	2.9
75.00755	2.5
78.95796	2.1
80.91567	2.3
81.03352	1.5
83.01263	3.2
83.04910	2.9
85.02824	8.4
87.00756	1.9
89.02316	23.7
93.06979	2.7
95.01239	3.0
96.95899	2.7
101.02331	14.7
107.01282	1.4
109.06496	1.6
111.08026	7.4
113.02341	9.4
115.70716	1.4
119.03378	10.3
121.06483	2.7
123.00768	8.3
125.02338	11.3
126.02605	1.3
133.06505	2.4
137.06003	4.9
139.00262	2.5
139.07555	2.6
141.01814	1.8
143.03505	1.5
149.04462	1.7
151.00308	5.1
151.07596	1.4
153.09097	4.6
155.07050	98.4
156.07404	4.2
161.04480	7.1
161.05910	2.7
168.00592	3.5
169.01347	15.2
171.10185	4.6
179.05533	10.3
179.06973	2.0
197.08167	1.6
197.11800	4.1
207.13049	1.2
209.11777	1.7
209.15395	4.4
211.02525	2.9
271.04565	3.9
272.80768	1.5
294.91446	1.2
389.21860	12.0
527.31360	2.0
587.17444	2.2
587.30902	22.0
588.30627	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	587.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37278	1.2
57.03319	3.0
59.00987	1.7
59.01256	17.0
67.01745	1.3
68.99684	2.6
69.03331	2.1
69.27025	14.2
71.01241	4.5
75.00765	1.4
83.01253	3.0
83.25898	1.4
85.02830	6.5
85.51488	1.5
87.00744	4.4
90.62123	1.2
95.01263	2.5
99.00742	4.6
101.02312	2.4
108.60458	1.0
111.00766	3.1
113.02357	6.3
113.99479	16.3
115.00248	11.2
118.63492	1.1
120.94012	1.2
123.00733	1.8
125.02345	3.3
127.00286	7.0
129.01828	2.1
139.00243	3.9
156.00552	1.5
157.01347	10.0
165.05278	1.1
166.99765	2.1
169.01344	6.2
171.93886	1.3
174.01627	14.0
175.02327	2.9
223.13347	2.2
243.02940	1.4
255.02948	2.0
255.23109	1.7
267.12469	1.3
271.02426	3.4
277.02753	1.9
277.05640	25.1
300.02692	5.5
301.00003	1.4
301.03412	3.4
337.07813	16.8
401.18359	1.5
527.17407	7.9
551.17828	2.3
569.18744	4.7
587.10699	7.9
587.19690	100.0
588.11169	1.9
588.19965	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	587.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	6.3
59.01249	63.9
59.02012	3.1
61.98699	9.5
70.96380	6.3
70.96703	4.7
71.01270	28.8
72.99171	5.1
73.02831	6.3
75.00756	3.8
83.01250	10.5
85.02824	21.6
87.00767	19.9
88.98640	3.6
89.02320	12.8
91.73077	3.6
93.03316	8.5
95.01257	10.9
95.04905	3.6
96.95887	14.5
97.02818	7.5
99.00780	9.8
101.02321	20.0
107.01264	11.0
108.02051	10.8
109.02834	11.2
111.00780	7.5
113.02316	15.1
113.99473	16.5
115.00271	23.4
119.03394	4.9
121.02818	4.3
123.00763	20.2
124.01527	4.3
125.02355	42.1
127.00241	10.7
129.01778	6.8
137.02332	9.7
139.00238	10.6
140.00958	4.5
149.02353	4.2
150.03117	10.2
151.00276	18.1
152.01006	11.9
155.07010	6.1
157.01317	14.0
161.04417	4.9
163.00281	6.7
165.01831	9.8
165.05449	8.8
166.99867	4.0
168.00502	5.7
169.01350	50.2
170.01752	5.7
174.01610	11.3
175.02426	33.2
175.03847	7.0
177.01863	5.3
179.03381	9.0
179.05634	4.9
180.04263	4.6
195.06493	14.2
205.05008	5.0
214.99771	5.1
223.13391	7.4
225.07639	5.1
243.02994	5.6
249.03996	10.5
255.02995	14.2
263.05777	5.0
270.99832	3.5
271.02243	19.7
272.03128	3.6
277.05679	25.8
285.03940	4.8
286.98248	4.5
299.99301	7.4
300.02722	32.5
300.99771	13.5
301.03415	23.5
302.03522	17.5
303.04147	12.0
313.05588	7.7
316.64636	3.6
319.06274	4.3
337.07718	58.0
338.08472	5.0
365.23257	5.6
434.07916	5.5
435.08148	6.4
463.08942	8.3
465.06726	6.6
527.17926	6.4
587.10541	22.8
587.20197	100.0
588.20441	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	587.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20638	2.7
57.03336	2.7
59.01259	13.8
61.98701	13.3
65.00195	13.8
69.27666	6.1
69.28087	17.0
71.01252	4.5
74.24046	2.0
83.01254	5.3
89.02325	6.0
98.19727	4.6
101.02316	3.7
102.03713	2.4
107.01270	19.0
109.02867	2.7
113.02319	3.0
123.00769	3.0
125.02337	15.1
135.04424	62.6
149.02379	4.4
150.03168	15.4
151.00278	100.0
152.00661	2.4
155.07019	6.0
161.02350	2.3
165.05492	19.4
166.06088	2.4
168.00565	2.1
169.01355	15.7
175.00262	4.7
175.02534	2.3
179.75404	2.2
180.04253	2.5
181.08653	4.8
195.06589	9.6
196.03571	3.0
211.33614	2.3
220.97668	2.7
246.62527	2.1
285.09937	2.3
287.05615	93.6
288.05972	7.9
300.02881	2.2
398.37671	2.2
451.12512	4.0
484.26266	2.5
587.22455	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	587.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	5.4
59.01252	44.3
61.55182	0.6
61.98703	4.7
65.00185	2.3
66.14643	0.6
67.01772	0.7
68.49935	0.7
68.99670	0.8
69.03327	1.2
71.01257	8.3
73.02829	1.5
78.21098	0.6
79.01775	0.8
79.98277	0.6
81.03331	9.1
83.01257	7.6
85.02829	2.1
87.00752	2.0
89.02297	1.6
93.03329	4.7
95.01250	2.8
95.04902	1.2
96.95900	1.6
97.02838	1.7
101.02335	3.0
107.01281	10.3
107.04869	0.9
109.02831	1.7
111.00758	2.1
113.02341	2.4
115.00291	1.9
119.04921	9.2
121.02871	2.4
123.00771	9.4
123.01579	1.1
123.04416	21.2
124.01568	2.3
125.02338	100.0
126.02683	3.0
127.00253	1.2
130.78937	0.7
135.04420	0.7
136.98701	1.6
137.02379	1.1
137.06013	1.0
139.00294	3.1
139.03954	1.1
140.01062	2.5
141.01843	1.3
145.02901	0.9
149.02301	4.1
151.00284	15.9
152.00679	1.6
153.00742	0.9
153.01857	2.1
155.07045	6.8
161.04485	1.4
163.00345	1.0
163.03922	1.0
165.01869	1.0
165.05505	1.7
167.03409	54.8
168.00568	5.7
168.03773	2.0
169.01340	80.9
170.01657	3.9
173.06036	1.3
175.02422	2.6
175.03856	0.9
177.01772	1.1
178.99823	3.8
179.03383	4.0
180.00157	1.4
189.05501	3.8
191.03453	2.1
193.01418	0.9
195.06546	0.9
203.03474	0.9
211.02414	8.4
212.02855	0.9
215.07259	0.7
241.03558	2.0
255.03030	1.3
255.06680	1.3
256.03424	2.0
259.06091	7.5
271.02338	1.2
271.04700	7.2
272.02753	0.8
273.03265	1.2
273.07693	26.4
274.08139	2.1
283.06348	1.3
287.05566	4.0
300.02866	3.1
301.00107	1.5
301.03448	9.6
302.03781	9.1
303.04044	6.8
313.05646	55.8
314.06046	4.5
389.21881	1.6
434.08365	1.0
435.07974	1.2
435.13049	8.8
436.13458	1.2
439.08807	59.0
440.09122	5.4
559.19098	0.9
587.14313	66.9
588.14758	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	587.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71611	1.0
57.03335	0.9
59.01250	11.2
61.98702	46.8
65.00200	0.8
67.01779	1.2
68.99689	0.7
69.03362	2.3
71.01258	7.9
72.99196	1.4
73.02847	1.3
81.03355	2.6
83.01299	2.4
85.02851	2.9
87.00767	1.4
89.02336	1.6
91.00034	0.7
93.03387	2.0
95.01239	3.6
96.95892	1.6
97.02844	2.6
101.02366	2.9
107.01264	13.1
107.01930	0.8
107.04910	1.0
109.02863	0.7
111.00793	2.5
113.02372	2.3
116.20738	0.7
119.04927	2.6
121.02853	19.6
123.00779	15.6
123.04424	5.2
124.01582	1.7
125.02342	88.5
126.02681	4.2
127.00251	2.1
130.03094	0.8
133.02878	1.8
134.03662	1.1
135.04411	6.2
136.98798	1.0
137.02333	2.2
138.03088	0.9
139.00250	5.8
139.03914	1.3
140.01085	5.2
141.01805	2.4
147.04497	0.8
149.02341	1.2
150.03162	2.6
151.00282	11.2
151.03816	0.8
153.01874	2.1
155.07053	3.9
160.01561	0.8
161.02367	8.5
161.04538	0.9
162.80330	0.7
163.03912	1.2
165.01817	2.0
165.05504	3.2
166.99762	1.8
167.03418	12.9
168.00574	7.7
169.01344	100.0
170.01695	3.2
175.03908	1.6
177.01765	1.0
179.03462	3.3
183.02875	1.0
189.05585	1.3
191.03427	1.6
193.01367	2.8
195.06520	0.9
203.84579	0.7
211.02425	10.4
223.02449	1.1
227.03510	1.8
253.03395	1.3
253.27972	0.9
255.02898	2.1
259.05841	1.1
273.07733	6.1
284.03320	0.9
285.03946	2.9
300.02692	1.1
313.05701	7.0
337.09155	1.3
398.46750	0.7
417.08246	11.1
418.08176	0.9
435.08688	4.8
439.08786	0.9
524.22137	1.0
551.25208	5.3
587.10046	80.4
587.26367	3.7
588.10480	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	586.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72702	0.7
57.03308	1.3
58.00460	1.9
59.01252	34.5
59.79257	0.7
61.98693	3.8
66.17278	0.8
70.92146	1.7
70.92498	0.9
71.01254	25.9
72.99190	1.6
73.02826	2.5
78.46095	0.8
81.33871	0.8
83.01241	2.8
85.02831	6.3
87.00769	1.2
89.02325	15.8
95.01254	2.2
96.95892	4.1
99.00745	1.2
101.01698	1.1
101.02327	14.5
111.43862	1.0
113.02342	7.7
119.03383	5.0
138.81976	0.8
152.99525	1.0
167.14313	14.5
179.02448	0.8
211.13332	9.5
229.14429	23.5
230.14818	1.7
254.17557	2.9
265.21671	3.7
272.18677	17.0
273.19040	1.3
302.03815	1.0
309.20728	3.0
338.78998	0.9
416.22681	1.2
434.23999	17.9
435.24423	2.2
446.90460	0.9
488.28723	1.8
568.34692	1.3
586.35999	100.0
587.36670	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	587.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	11.8
64.86935	0.8
65.00188	1.8
68.99696	2.2
69.03317	1.1
69.28072	1.0
70.14052	4.7
71.01263	6.5
73.02831	1.7
79.01749	0.8
83.01272	4.6
85.02832	4.7
87.00761	2.8
89.02313	2.8
91.01791	0.9
95.01257	4.1
96.95875	1.5
97.02832	1.5
98.19950	1.2
99.00764	3.1
99.04419	0.9
99.89977	0.8
101.02322	3.2
101.21128	0.9
102.25677	0.8
107.01260	4.7
108.02055	1.9
109.02861	2.7
111.00777	4.2
112.98770	1.1
113.02329	4.3
113.99461	8.1
114.03435	0.8
115.00285	5.4
119.03425	1.3
121.02848	2.1
123.00765	7.0
125.02329	11.3
127.00258	4.5
129.01799	1.2
133.02805	1.1
135.00772	1.2
135.04395	1.0
137.02361	1.7
139.00287	8.0
140.01022	1.2
141.01796	2.1
149.02391	1.3
150.03102	1.7
151.00279	9.8
152.00792	1.0
153.01753	0.9
157.01338	4.5
161.09581	1.2
163.00282	3.1
165.01881	1.1
165.05423	2.4
166.99815	3.1
168.00523	2.3
169.01352	16.2
174.01602	5.7
174.03044	1.9
175.02374	2.3
175.03902	2.1
178.99864	5.0
187.11279	1.1
190.99927	1.0
191.03371	1.1
195.06500	1.9
198.03175	1.0
199.03932	1.6
201.01866	1.0
203.03398	1.2
211.03981	2.1
215.03525	1.2
216.04181	2.3
223.13356	2.0
226.02594	8.5
227.03419	7.5
243.02982	24.6
244.03340	2.3
254.02171	9.4
255.02982	21.5
256.03412	3.1
265.80099	1.0
271.02478	100.0
272.02982	9.4
273.03915	2.2
275.02036	1.3
277.05649	7.0
283.02554	1.0
284.03226	4.1
285.04031	6.1
299.01898	1.9
300.02740	92.6
300.99911	3.3
301.03403	34.5
302.03824	3.7
337.07590	5.7
365.19662	2.0
401.18289	1.7
435.22855	1.4
445.07654	1.6
447.09259	3.3
527.17841	4.4
551.17633	4.1
569.18579	2.0
587.10364	78.8
587.19885	51.8
588.10724	12.5
588.20178	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	586.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11884	0.5
59.01251	4.7
61.98703	8.1
63.22303	0.6
63.69825	0.5
67.01755	0.8
69.34865	1.0
69.35265	5.0
71.01252	3.3
72.49047	0.5
72.99205	0.7
73.02813	1.2
83.01250	1.2
85.02819	1.7
87.00766	0.9
89.00453	0.5
89.02322	1.3
94.94114	0.5
95.01268	1.8
97.02863	0.8
99.00756	0.8
100.03117	0.5
101.02332	2.1
107.01252	3.6
109.44686	0.6
111.00765	2.3
123.00775	10.3
125.02340	17.3
127.00279	1.5
139.00279	2.1
140.01010	2.0
141.01826	1.9
151.00270	9.1
158.72739	0.5
160.01553	1.2
161.04417	0.7
163.03705	0.7
165.05568	0.8
168.00536	2.3
169.01346	23.5
175.03951	1.4
179.03171	0.6
204.04178	0.9
209.15417	0.7
211.02470	1.4
256.27551	0.6
301.00122	0.5
301.03500	0.8
302.03900	1.1
313.05490	1.6
337.09351	1.6
468.16086	0.6
523.21844	100.0
524.22162	16.6
586.17010	1.1
586.25769	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55385	1.0
51.29216	1.0
57.03320	2.3
59.01250	87.1
60.01604	1.0
60.99158	1.2
61.98711	9.0
65.00188	1.4
69.03314	1.0
69.30826	3.8
69.31254	6.0
71.01250	14.2
73.02821	2.1
83.01286	3.0
83.04890	2.9
85.02827	5.0
89.02325	6.8
91.29943	1.0
93.03334	2.1
93.06980	3.3
95.04922	1.0
96.95889	1.1
97.02829	1.4
99.00772	2.0
101.02325	9.6
107.01276	6.7
109.02859	1.3
109.06480	3.4
111.08052	7.1
113.02339	5.5
119.03396	2.1
121.02809	1.2
123.00820	2.5
125.02341	10.1
125.05994	3.4
133.64708	0.9
135.04419	1.1
137.05972	6.1
138.06750	4.0
140.01012	1.1
143.03386	1.8
147.00790	1.6
150.03131	1.8
151.00272	9.8
153.09113	10.6
155.07043	100.0
156.07408	3.9
159.02892	1.2
159.04408	1.6
161.04477	13.8
163.00273	1.9
165.05450	2.6
169.01350	12.2
177.01805	1.3
178.99777	2.0
179.05534	1.6
183.04437	3.3
185.02432	1.1
187.03951	1.3
195.06584	1.1
198.78320	1.0
211.03981	3.6
225.14897	23.8
226.15367	1.6
227.03444	40.3
228.03786	3.9
229.05042	4.3
230.05190	1.1
255.02959	83.5
256.03394	12.2
257.04523	2.0
269.04520	6.0
283.02502	16.0
284.03247	81.1
285.03998	74.6
286.04391	6.3
299.02197	1.2
300.02863	1.2
301.00180	0.9
301.03442	5.8
385.37344	0.9
387.20200	16.6
388.20474	2.3
429.08246	18.3
430.08627	2.1
433.24319	2.1
444.94305	1.1
447.09314	1.5
464.57849	1.0
585.15778	29.5
585.24231	4.6
586.15833	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	585.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.9
57.03573	0.4
59.01254	100.0
60.01584	1.1
61.98700	0.8
63.02269	1.1
65.00188	2.8
65.03819	0.9
67.01779	1.2
69.03329	0.7
71.01258	10.6
71.19086	0.4
72.99187	0.6
73.02491	0.4
73.02824	2.3
77.05735	0.5
79.05404	0.5
81.03344	1.0
83.01263	2.6
83.24787	0.4
85.02824	4.3
87.00787	0.7
89.02348	1.8
89.03865	0.4
91.05412	2.6
92.96370	0.4
93.03345	3.7
95.01292	1.3
96.34438	0.4
97.02840	1.2
98.19747	0.8
99.00771	1.2
101.02331	6.7
102.14087	0.4
103.03877	0.7
107.01266	7.5
107.01946	0.5
107.04916	5.9
109.02901	0.8
109.06478	3.9
110.12836	0.4
111.00813	1.2
111.08035	0.5
113.02340	4.5
117.03350	4.5
119.03378	0.4
119.04919	5.5
121.02891	1.5
123.00773	4.4
123.04463	0.6
124.01654	0.6
125.02341	33.6
126.02717	1.0
127.00288	0.6
131.23538	0.4
135.04422	17.1
136.04765	0.9
136.98770	0.6
137.02443	0.6
139.00331	1.8
139.03920	0.5
140.01102	1.2
143.04893	0.6
145.02928	1.2
149.02425	0.9
150.03105	0.6
151.00276	20.0
152.00674	0.9
153.01941	0.5
153.05482	12.7
153.06633	0.7
154.05890	0.8
159.03041	0.8
161.04471	6.5
163.00374	0.8
164.01166	0.6
165.01875	1.3
166.99838	1.0
167.03494	0.8
168.00517	2.3
169.01344	26.1
170.01672	2.3
175.00400	0.7
177.01915	0.8
178.99811	2.3
184.10040	0.4
184.84720	0.5
185.06169	0.5
187.04028	0.8
193.01421	0.7
201.88701	0.4
211.02426	4.9
212.02878	1.0
227.03636	0.7
227.07289	0.5
227.16595	0.5
229.05139	1.0
230.00249	0.6
241.03548	0.8
243.03101	1.0
245.04871	0.5
255.03027	3.8
257.04788	0.7
271.02121	3.8
271.06738	4.8
272.05060	2.9
283.04755	2.0
285.03885	2.2
286.04596	0.5
300.02747	9.5
300.06049	0.6
301.00290	0.8
301.03510	17.6
302.04163	1.7
313.05670	17.3
314.06064	2.1
331.06915	0.7
332.06985	0.8
335.13690	1.5
360.13803	0.4
383.92313	0.5
389.21750	2.8
390.22583	0.6
395.13089	0.5
433.07831	3.4
439.08835	17.6
440.09286	2.3
465.06696	0.8
481.24490	0.9
491.08377	1.0
522.21246	1.6
585.12793	22.2
585.26685	1.8
586.12531	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	585.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50549	0.4
57.03331	0.5
59.01251	5.7
60.13043	0.5
61.98700	5.5
69.31892	0.5
69.32230	4.7
71.01256	2.4
72.99164	0.6
73.02825	0.6
82.95247	0.6
83.01260	0.6
85.02827	0.8
89.02336	1.4
93.03317	3.5
95.01276	0.8
96.73105	0.4
96.95907	0.7
98.37202	0.4
101.02332	1.6
107.01292	0.8
107.04812	0.4
107.51588	0.4
109.02823	0.5
109.06475	0.8
110.04913	0.4
111.08047	0.5
113.02319	1.2
121.02854	4.3
122.03620	13.6
123.00739	0.8
125.02351	2.5
125.05978	0.7
127.93543	0.4
133.02858	1.4
135.04411	1.1
136.01521	1.2
137.02316	0.9
137.05978	0.5
139.00298	0.6
139.03937	0.5
149.02345	18.9
150.03128	87.2
151.00256	2.0
151.03470	3.2
151.04520	0.5
152.25500	0.4
155.07042	7.8
157.08711	0.7
160.01576	0.9
161.04451	0.8
164.04716	3.4
165.05482	100.0
166.05803	4.4
169.01305	2.6
175.03911	0.7
180.04196	6.1
195.06554	67.8
196.06888	3.6
227.03433	1.4
242.09457	0.5
255.02972	2.4
257.11737	0.7
270.08923	1.5
271.04645	0.5
284.03116	1.0
285.03946	1.3
285.11261	1.7
286.08426	0.4
298.08276	0.8
299.09116	1.8
301.03519	3.2
301.11185	0.7
302.03778	0.6
310.08432	0.9
311.09073	0.8
313.10648	0.7
314.07904	1.4
325.10687	1.1
326.07663	0.7
327.12109	0.6
329.10266	5.4
341.10242	5.7
342.10748	0.5
344.12646	6.5
345.12991	0.5
356.12662	2.3
359.14999	18.8
360.15134	1.7
371.14944	14.4
372.15237	1.7
387.20108	2.1
507.19995	0.9
537.21124	1.2
585.24396	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	585.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	10.4
61.98711	7.9
71.01235	1.5
71.79843	0.6
76.49313	0.5
79.29546	0.6
89.02322	1.6
93.03321	4.6
95.01276	1.0
107.01253	0.8
107.04924	0.6
109.02829	0.7
113.02354	1.2
119.03361	1.0
121.02853	7.3
122.03635	15.9
123.00745	0.9
124.01556	0.6
125.02346	0.6
133.02843	1.4
135.04393	1.5
136.01570	1.3
137.02359	0.7
137.05991	0.9
139.07610	0.6
149.02347	39.6
150.03134	100.0
151.00259	1.5
151.03468	4.9
155.07042	5.9
160.34035	0.6
161.04549	0.6
163.03809	0.6
164.04721	7.1
165.05492	92.1
166.05852	4.0
169.01308	0.7
179.07019	1.0
180.04214	6.9
195.06561	57.2
196.06888	3.4
201.72583	0.6
227.03387	3.7
228.03778	0.6
255.03050	6.2
256.03455	1.6
257.11823	1.1
270.08984	2.1
271.09885	0.7
281.04596	0.8
283.09695	1.5
284.03278	3.5
284.06488	1.1
285.04013	1.8
285.11346	2.8
298.08521	1.0
299.09363	1.3
299.12820	1.3
301.03613	1.4
311.09244	1.3
313.10889	1.1
314.08017	2.5
325.10846	1.4
326.07962	1.3
326.11685	0.8
327.12314	4.1
328.13147	7.8
329.10297	5.8
329.13696	0.8
330.10999	1.3
341.10257	8.1
341.13907	0.9
342.10721	0.6
343.15622	2.0
344.12701	6.3
345.13196	1.8
356.12671	2.1
359.14969	18.3
360.15344	2.6
371.15018	14.4
372.15512	2.2
402.63977	0.6
461.16119	1.5
463.17316	1.1
485.32272	0.6
492.18088	1.2
507.20258	8.9
508.20190	1.0
519.20367	1.0
537.21289	34.4
538.21570	6.5
585.15802	3.7
585.24713	3.0
585.57928	0.8
586.24506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37695	1.2
57.03324	22.9
59.01252	30.1
66.40315	1.2
69.74094	2.4
69.74503	5.9
71.01237	6.0
72.99154	1.4
85.02840	2.3
88.12389	1.3
89.02309	3.5
95.04881	1.8
97.02834	4.7
99.04388	16.4
99.99229	1.3
101.02332	7.4
107.04886	1.8
109.02823	3.3
109.06446	3.6
111.00734	3.0
111.04404	2.9
113.02321	2.6
121.06488	3.4
121.61475	1.4
122.03644	6.6
123.04424	2.7
123.98366	1.5
124.05195	8.5
125.02338	7.0
125.05991	4.3
126.53654	1.2
133.06480	5.6
135.04417	2.4
137.05980	7.8
139.00267	4.0
139.07547	72.2
140.07849	2.1
147.08038	2.5
149.02353	1.5
149.05974	2.6
151.03896	2.3
151.07571	1.8
154.99800	1.5
161.04469	10.4
165.05504	1.4
166.99693	1.9
168.07872	17.1
169.01357	5.2
169.08577	5.8
177.12758	2.4
179.73532	1.2
181.08607	2.1
187.11215	10.5
188.11604	1.5
189.05513	3.1
189.09079	1.3
190.09914	1.9
205.12299	23.9
206.12654	1.7
211.09766	2.1
217.12311	2.8
227.03419	2.4
229.12260	1.7
231.10237	3.7
235.13319	4.8
249.11299	4.4
255.03004	2.0
261.11185	2.9
266.48972	1.3
273.11349	2.9
279.12372	100.0
280.12839	10.7
284.03131	2.2
291.11996	1.5
303.12289	6.5
321.13275	8.9
423.16547	17.4
441.17593	5.2
585.21899	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	585.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08092	0.5
52.07783	0.6
56.55466	0.5
57.03315	2.2
59.01249	70.0
60.01550	0.5
60.93866	0.5
60.99176	0.7
61.98705	8.4
65.00195	2.0
67.01749	0.6
68.99681	0.7
69.03316	1.5
71.01247	12.6
71.49940	1.0
73.02813	3.1
79.95632	0.6
81.03331	0.7
82.95320	0.6
83.01266	2.8
83.04887	2.0
85.02814	4.7
87.00717	0.7
89.02306	6.2
93.03320	1.6
93.06959	2.8
95.01256	1.5
95.04912	0.8
96.95877	1.1
97.02798	1.1
99.00757	0.8
101.02320	8.1
107.01267	5.4
109.02840	1.0
109.06491	2.8
111.00774	0.9
111.08051	5.3
113.02317	5.9
117.03342	1.5
119.03413	1.7
120.02058	0.5
121.02828	1.0
123.00757	2.0
123.04395	0.6
124.01551	0.5
125.02343	8.3
125.05938	3.0
131.06976	0.7
132.02081	1.2
133.02792	0.7
135.00816	1.3
135.04445	2.7
137.05988	5.6
138.06769	1.9
139.00299	0.7
140.01015	0.7
143.03448	1.1
143.04897	1.2
145.02832	1.0
147.00809	1.6
150.03111	1.5
151.00293	9.4
152.00719	0.7
153.01842	0.6
153.09113	9.9
155.07040	87.0
156.07370	2.4
159.02881	1.9
159.04289	1.2
161.02388	0.9
161.04453	12.2
163.00252	3.1
165.05472	1.5
168.00613	0.8
169.01328	10.9
170.01678	0.8
171.04385	0.7
177.01833	1.5
178.99744	1.8
179.05539	1.5
183.04445	3.7
185.02361	1.0
185.06030	1.6
187.03899	2.2
195.06590	1.1
199.03909	1.3
200.04660	0.6
205.12411	0.8
207.13785	1.0
211.02251	0.7
211.03958	3.7
213.05603	1.0
214.02531	0.7
215.03436	0.9
225.14905	23.0
225.17136	1.2
226.15204	0.7
227.03441	53.1
228.03851	3.7
229.05009	5.5
239.03583	1.6
240.04149	0.7
241.05119	1.3
247.88660	0.6
253.04979	0.8
255.02957	94.5
256.03470	9.5
257.04456	2.7
268.03876	0.7
269.04514	6.8
271.02258	0.9
271.04776	1.1
271.19247	0.8
273.03098	0.7
283.02460	18.6
284.03250	100.0
285.03989	84.6
286.04385	7.4
287.05597	2.0
300.02722	1.8
301.00137	1.1
301.03439	7.8
302.03644	1.5
357.51639	0.6
359.14969	0.6
387.20224	14.7
387.25031	1.1
388.20807	0.9
398.52585	0.6
429.08261	21.6
429.68396	0.6
430.08557	2.5
431.19254	1.0
433.24329	2.7
446.08334	0.6
447.09183	1.4
585.16174	41.3
585.25244	6.4
586.16425	9.2
586.24976	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63857	0.5
59.01250	1.7
61.98717	5.2
64.70759	0.6
76.29063	0.6
83.01253	0.9
85.05961	0.5
86.74493	0.5
89.02266	0.9
93.03329	2.2
98.19762	1.3
107.01265	2.1
121.02841	1.3
122.03671	3.2
125.02327	1.5
133.02817	0.6
135.00826	0.6
142.85194	0.6
149.02357	9.4
150.01944	1.2
150.03136	23.9
151.00284	2.8
152.10013	0.6
155.07022	1.0
163.00349	0.7
164.04710	1.3
165.05495	21.8
166.05800	0.9
169.01353	1.3
170.05406	0.6
175.03825	0.9
177.83473	0.7
180.04153	1.5
183.04431	1.9
185.06081	0.9
187.03880	0.7
195.06563	12.8
206.17516	0.6
211.03949	2.7
213.05496	0.7
227.03453	78.8
228.03798	5.7
229.04997	2.6
239.03516	1.0
241.05176	0.7
255.02977	100.0
256.03516	12.0
257.04477	2.2
284.03262	57.6
285.04007	38.8
286.04453	3.3
299.09332	0.7
301.03613	1.0
327.05115	1.1
328.13074	1.7
329.10217	0.9
341.10187	1.3
344.12692	0.8
359.15063	6.1
360.71082	0.6
371.15009	3.6
429.08548	0.9
465.06873	1.1
507.20084	2.6
537.21283	9.8
538.21307	1.2
585.16150	87.3
586.16504	15.6
586.25494	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45664	1.1
54.90214	1.1
57.03328	7.1
59.01254	13.4
61.98695	1.9
63.02281	3.1
67.01780	1.7
67.38390	1.0
69.03381	1.0
69.39318	3.5
69.39734	7.3
71.01256	7.7
72.99166	1.1
73.02824	1.6
81.03355	2.0
83.01264	8.8
88.67617	1.3
89.02338	1.1
92.59328	1.0
93.03318	6.7
95.01278	2.7
97.02855	1.3
101.02367	3.5
107.01270	25.0
107.01939	1.5
107.04956	1.3
109.02838	2.2
111.00806	3.7
113.02338	2.5
117.03354	3.1
119.04917	20.7
121.02902	3.7
123.00772	13.1
124.01600	1.9
125.02338	99.7
126.02726	3.3
132.95738	1.1
133.02907	1.3
135.04410	2.0
136.98738	1.4
137.02434	1.9
139.00299	6.4
140.01076	3.4
141.01738	1.4
142.20410	1.1
145.02919	4.9
149.02356	3.0
150.03160	1.3
150.31969	1.1
151.00273	57.9
152.00677	3.2
153.01921	1.3
153.05508	1.2
157.84195	1.2
161.04565	1.2
163.00333	1.5
165.01837	5.7
166.99776	6.6
167.05002	1.3
168.00632	4.1
169.01343	82.6
170.01677	2.1
174.78807	1.2
175.00319	1.9
177.01895	3.1
178.99835	5.5
185.00789	1.2
185.06026	1.7
187.04010	2.3
193.01535	2.0
195.06670	1.5
201.05670	1.9
211.02364	8.1
211.04199	1.8
227.03722	2.1
229.05150	3.6
241.03566	2.0
243.03006	1.8
245.04579	2.4
255.03175	4.6
256.03592	1.1
271.02341	6.4
271.06284	20.6
273.03940	1.0
283.02206	1.5
283.04886	3.0
285.03967	12.3
286.04562	3.1
300.02750	14.5
300.05521	1.1
301.03516	67.8
302.00986	1.2
302.03772	6.3
313.05661	68.0
314.06247	3.6
335.13525	2.4
417.08276	1.4
433.07877	5.2
439.08795	65.1
440.09363	5.0
465.06839	5.5
491.08691	5.0
585.12787	100.0
585.27069	2.9
586.12982	13.6
589.28467	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.0888
Annotation	Quercetin 3-(2''-galloyl-alpha-L-arabinopyranoside)
Peak:m/z	Relative Intensity
50.31034	0.5
63.02259	2.1
65.28645	0.5
69.58320	4.3
71.01243	1.2
83.01248	1.9
85.02835	0.9
87.12055	0.5
93.03353	0.8
95.69652	0.5
107.01263	5.7
109.02831	2.0
113.02338	0.9
121.02851	6.5
123.00777	1.7
125.02326	6.0
135.00728	1.0
148.01625	0.8
149.02359	1.0
151.00275	27.1
152.00629	1.1
153.01700	0.6
163.00308	2.5
165.01793	0.9
168.00555	1.0
169.01344	8.6
178.99777	12.1
183.04442	0.7
187.03912	0.6
193.65944	0.6
201.05455	0.8
211.03970	1.3
226.02654	0.7
227.03613	0.7
239.03638	0.6
243.02954	2.3
245.04463	1.4
255.02945	6.5
256.03601	0.6
271.02496	10.2
272.03018	1.0
273.04025	2.2
283.04745	4.1
299.01935	0.9
300.02728	19.4
301.03531	100.0
302.03854	8.6
400.14728	0.6
433.07770	8.9
434.08295	1.2
442.05298	0.7
540.71332	0.7
585.08832	32.5
586.09198	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	585.0885
Annotation	Quercetin 3-(2''-galloyl-alpha-L-arabinopyranoside)
Peak:m/z	Relative Intensity
50.41601	0.3
61.62100	0.3
63.02262	1.9
65.00198	3.4
69.25770	1.0
69.26186	3.1
73.00428	0.4
76.58327	0.3
83.01254	2.6
93.03353	0.9
107.01276	6.7
109.02827	1.5
119.01289	0.5
121.02842	6.3
125.02346	0.6
129.48912	0.4
139.03831	0.6
148.27808	0.4
149.02347	0.8
151.00276	28.8
152.00586	1.1
159.04398	0.5
163.00301	0.9
163.04005	0.4
164.01047	0.5
169.01367	2.1
178.98216	0.7
178.99792	13.6
180.00104	0.9
193.01260	0.4
201.05544	0.5
211.03989	0.7
215.97859	0.3
218.14516	0.4
227.03511	0.7
229.04959	1.1
239.03621	0.4
243.02808	0.5
245.04573	1.1
255.02983	1.2
257.04562	0.6
272.02841	0.5
273.03989	1.5
279.19485	0.3
283.02072	0.5
283.04739	0.7
300.02780	0.9
301.03528	100.0
302.03873	8.9
370.92191	0.4
372.05347	0.4
467.84671	0.4
585.08966	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.9
63.02261	1.1
67.01743	1.1
69.03323	1.1
70.18643	0.5
71.01257	6.6
71.44427	1.2
72.99171	0.6
79.01774	0.9
83.01262	1.4
85.02824	1.1
89.02347	0.5
94.13635	0.6
96.99141	0.5
97.02827	0.8
101.02333	0.6
107.01276	6.1
108.02052	0.7
109.02841	1.6
109.99961	0.7
111.00790	1.3
113.02325	1.3
120.28934	0.6
121.02823	2.2
122.99920	0.7
123.00776	11.5
124.01604	0.9
125.02337	30.9
126.02679	0.9
133.02832	0.6
135.00752	0.7
139.00269	3.5
140.01004	1.9
141.01813	2.2
143.85229	0.6
148.01523	1.1
149.02296	1.1
151.00276	27.6
151.03902	1.1
152.00633	0.7
153.01785	0.7
163.00293	1.8
164.01031	0.6
167.03348	1.0
168.00537	3.4
169.01343	31.9
170.01707	0.8
178.99773	9.0
179.03264	0.9
193.01390	0.9
195.02882	1.7
196.92876	0.5
223.02357	3.2
226.02750	0.8
227.03442	2.4
229.05083	1.1
243.02965	6.9
254.02202	1.5
255.02971	17.6
256.03381	1.0
271.02481	38.5
272.02954	4.2
273.04050	1.2
283.01843	0.8
283.04636	12.0
299.02081	1.3
300.02737	92.5
301.03442	34.3
301.08606	0.8
302.03946	2.5
335.13467	1.1
433.07758	23.3
434.08047	2.2
585.08850	100.0
586.09192	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	584.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41759	0.2
52.68685	0.2
59.01248	3.7
61.98704	100.0
63.02278	0.2
65.00195	0.5
69.36997	1.2
69.37424	1.0
70.89488	0.2
71.01259	1.1
73.02825	0.3
77.72415	0.2
81.47044	0.2
83.01270	0.6
85.02826	0.5
86.91903	0.2
87.00765	0.5
89.02319	0.7
93.03313	0.3
95.01292	0.5
96.95876	0.3
101.02369	0.7
107.01291	0.9
107.04925	0.3
109.02854	0.5
109.06471	0.4
111.00762	0.3
113.02339	0.7
121.02824	0.6
123.00787	0.7
125.02340	2.4
126.02625	0.3
135.04446	0.7
135.08328	0.2
137.02344	0.4
139.00346	0.4
139.03987	0.2
140.01135	0.2
149.22438	0.2
151.00284	3.2
153.05496	0.6
155.07059	0.6
161.02431	0.4
161.04448	0.3
163.00299	0.5
163.03899	0.3
166.99782	0.4
168.00571	0.5
169.01364	2.9
170.01707	0.5
178.99815	1.0
183.02948	0.3
183.04439	0.2
187.03908	0.3
211.02283	0.3
211.04164	0.3
225.07849	0.2
227.03438	5.9
227.12976	0.2
228.03821	4.4
229.04651	0.2
243.03053	0.3
243.06712	0.4
255.02960	7.3
256.03339	5.9
257.03937	0.7
271.02499	0.4
275.02066	0.3
284.03241	4.8
285.03778	7.1
286.04321	3.2
287.14929	0.3
300.02866	0.7
300.99985	0.7
301.03455	5.8
313.05692	0.3
327.05243	0.3
432.19418	0.4
448.09885	0.4
460.43204	0.3
461.16489	0.2
521.20392	0.5
524.35327	0.8
584.14789	6.8
584.23981	0.8
585.07819	1.7
585.16925	0.4
585.26013	0.6
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
57.63675	0.3
59.01253	4.8
61.98704	100.0
65.00190	0.7
68.99713	0.3
70.25114	0.6
70.25531	1.0
71.01262	1.7
73.02820	0.6
80.31092	0.3
83.01274	0.5
83.04869	0.3
85.02812	0.6
87.00770	0.5
88.06696	0.3
89.02318	0.9
95.01262	0.4
96.95911	0.7
97.02856	0.5
101.02367	1.0
102.10167	0.3
107.01293	1.4
107.04873	0.4
109.06437	0.4
113.02325	0.4
119.03426	0.4
121.02895	0.9
123.00786	1.2
124.01601	0.4
125.02338	3.8
135.04446	0.7
139.00243	0.4
140.01083	0.3
141.01904	0.5
149.02455	0.6
150.03088	0.5
150.51349	0.3
151.00256	3.3
153.24501	0.3
155.07047	1.3
158.03941	0.3
161.04430	0.6
163.00336	0.6
165.05463	0.4
166.99881	0.4
168.00566	0.4
169.01355	4.3
170.01588	0.4
178.99817	1.5
187.64297	0.4
209.11824	0.3
227.03439	5.5
228.03743	3.7
247.02518	0.4
255.02969	6.3
256.03387	4.7
257.03848	0.5
271.02429	0.7
284.03281	4.8
285.03757	7.2
286.04361	3.0
300.02789	1.3
300.99893	1.0
301.03448	8.0
325.41095	0.3
436.62131	0.3
455.16998	0.4
521.20593	0.5
524.22491	0.4
524.35370	0.4
548.21857	0.4
584.15070	6.1
584.24396	1.7
585.07623	1.8
585.17078	0.5
585.25641	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	584.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38878	1.5
57.03319	2.4
59.01253	60.4
61.98706	8.2
63.02273	2.2
65.89255	1.6
71.01249	11.5
80.18822	1.6
83.01248	3.9
85.02828	5.9
87.00770	2.5
89.02303	1.8
93.03320	1.9
95.01306	3.0
96.95916	2.5
98.19667	2.9
99.00787	2.2
101.02340	4.6
107.01272	13.3
107.04910	3.9
108.02053	2.6
109.02826	1.9
109.06474	3.9
111.00753	6.1
113.02335	4.8
121.02820	3.2
123.00761	13.0
124.01579	3.6
125.02340	57.1
127.00259	2.5
135.04398	8.5
136.98756	1.8
137.09665	2.1
139.00328	8.4
140.01126	3.2
149.02394	1.9
151.00278	30.7
151.01373	1.2
151.03825	1.7
153.05511	6.0
161.04549	4.6
162.49150	1.5
163.00288	2.1
165.01903	2.1
165.05429	2.5
168.00554	14.7
169.01346	80.6
170.01620	1.7
171.27216	1.7
175.03841	2.1
178.99796	11.3
184.87689	1.7
211.02412	60.3
212.02776	2.0
227.03467	3.3
241.03392	2.2
243.02954	7.1
245.04677	1.8
254.02040	2.0
255.03006	17.5
271.02335	29.5
271.04642	100.0
272.04855	5.2
280.79218	2.1
283.04602	26.0
285.04041	2.9
286.04480	2.9
299.01947	5.7
300.02744	86.1
301.03519	48.8
313.05685	6.3
331.02777	2.2
331.06680	37.1
332.06955	3.5
433.07730	23.9
439.08844	7.4
461.98712	1.7
521.20282	44.6
522.20642	7.3
585.08698	96.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.6
55.17747	0.7
55.22221	0.7
57.03330	2.1
59.01252	100.0
60.01593	1.1
61.98706	7.4
65.82065	0.7
71.01255	29.3
71.58294	1.6
72.99190	2.7
73.02819	9.9
75.00741	3.5
78.95761	1.0
82.06155	0.6
83.01244	3.8
85.02827	12.4
87.00775	2.4
88.98693	1.5
89.02307	5.1
90.50652	0.8
93.03332	0.9
93.90077	0.7
94.20274	0.7
95.01270	3.2
96.95908	3.0
99.00780	3.7
101.02324	20.3
111.00764	0.8
113.02335	13.9
116.25818	0.6
119.03407	2.1
123.00797	2.0
125.02340	7.0
137.02281	0.8
138.34413	0.8
143.03445	3.0
150.03156	1.6
151.00316	1.3
155.07088	1.7
157.88547	0.7
159.02901	3.6
161.04468	37.6
162.04816	1.1
165.05460	0.9
169.01370	5.2
171.06555	1.2
179.05621	1.2
185.08015	0.8
205.03526	0.9
209.11711	1.3
271.04837	1.1
275.02075	0.7
299.99127	1.7
300.99713	1.5
315.19717	1.9
331.22748	17.6
331.26465	1.1
332.23157	1.0
361.23856	5.9
362.24466	1.1
523.29102	25.3
524.29517	4.7
583.11670	1.2
583.28473	4.7
584.12067	0.7
584.28296	1.1
602.59387	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.1
57.03329	1.6
59.01251	36.2
61.98706	53.4
63.02295	0.8
63.35874	0.7
65.00197	1.2
65.36846	0.8
69.03320	0.8
71.01257	12.4
71.58590	1.0
72.99194	0.8
73.02828	7.4
75.00761	1.0
81.03366	0.7
83.01260	4.1
83.04902	1.2
85.02832	5.2
87.00750	1.8
89.02292	4.0
93.03332	1.1
95.01269	2.1
96.95893	2.8
99.00755	1.6
99.43307	0.8
101.02335	8.0
102.02653	0.8
107.01277	4.3
108.02045	1.0
109.02834	1.4
109.06475	1.5
111.00742	1.6
111.04428	1.0
113.02330	5.8
119.03400	2.3
119.04861	0.9
121.02781	1.0
123.00773	3.6
125.02347	15.1
126.02689	1.5
132.01952	0.7
133.06523	0.9
135.04387	0.8
137.02415	0.7
139.00252	1.6
141.01834	0.9
143.03407	1.4
143.04903	0.9
149.02426	0.9
149.06027	0.7
150.03088	1.1
151.00272	5.6
152.00949	1.0
153.01781	1.1
155.07051	14.1
161.04532	4.1
161.05769	1.0
161.09567	0.7
163.00301	1.6
165.05457	1.8
165.12740	0.8
166.99861	0.9
168.00601	1.9
169.01347	15.6
169.08723	0.9
170.01659	2.0
171.01796	1.1
177.75510	0.7
178.99753	1.3
179.05672	1.1
179.07068	5.0
183.04422	2.0
187.03908	0.9
195.06551	1.8
197.08162	3.6
199.03984	0.8
211.02359	1.9
211.04022	2.4
223.13254	0.9
227.03452	78.9
228.03809	7.4
229.05013	2.2
241.05208	0.9
243.02985	1.5
255.02968	100.0
256.03503	13.7
257.04388	2.4
257.10278	2.1
267.12384	1.8
269.13855	1.3
271.04810	0.9
284.03256	72.9
285.03976	42.5
286.04437	5.3
299.02109	1.8
300.02866	2.0
300.99771	1.7
313.05499	1.2
327.04990	2.1
333.12009	1.1
361.23935	1.3
361.29385	1.6
431.18936	2.4
447.09308	5.8
487.21655	1.0
498.00732	0.8
521.19647	0.9
523.34796	22.3
524.35199	3.4
535.20160	0.8
565.13257	0.9
583.14490	43.3
583.23566	6.9
584.14813	10.7
584.23145	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66240	0.2
53.86672	0.2
55.01760	0.8
57.03319	0.8
58.00472	2.9
59.01252	86.5
60.01590	1.1
60.99183	0.4
61.98705	15.8
65.03833	2.0
67.01790	0.3
68.99709	0.3
69.03330	1.2
69.26614	0.4
69.26955	3.3
71.01255	12.5
72.99180	1.2
73.02811	2.2
75.00751	3.2
76.53578	0.3
77.70207	0.3
79.05383	0.4
81.03340	0.9
83.01257	1.5
83.04900	7.3
83.05373	0.5
84.02049	0.3
85.02820	2.4
87.00743	0.4
89.02321	4.6
91.05437	1.0
93.03333	1.9
93.06969	4.0
95.01274	1.7
95.04904	1.3
96.95866	0.3
97.02810	0.8
99.00766	0.4
101.02319	11.9
103.05410	0.9
105.01819	0.3
105.03364	0.4
105.06983	2.1
106.04118	0.6
107.01257	0.6
107.04931	1.1
109.02856	1.3
109.06477	3.0
110.00022	0.3
110.06805	0.3
111.08047	5.2
113.02338	8.2
114.02603	0.4
115.05403	1.8
117.03343	2.9
117.06990	3.2
119.03404	3.5
119.04884	2.0
119.08517	0.7
121.02873	0.4
121.06488	5.8
123.00787	0.9
123.04452	0.6
123.08047	0.9
125.02337	3.1
125.05954	0.8
129.06992	1.2
130.04100	0.3
131.03448	1.0
131.04910	1.6
132.05704	0.3
133.06485	5.2
135.04420	0.6
135.08070	3.2
137.02365	0.5
137.05968	2.1
137.17978	0.3
139.00316	0.7
139.07545	10.0
140.07883	0.4
143.03392	1.1
143.04944	3.0
144.05289	0.5
145.02867	0.4
145.06526	1.9
146.03638	0.6
147.00897	0.3
147.08064	3.3
149.02361	0.6
149.06000	1.9
150.03136	0.9
151.00310	0.7
151.07565	3.1
155.07047	100.0
156.07407	4.3
159.04395	0.5
161.04474	5.3
161.05994	10.7
162.06296	0.5
165.05524	1.4
165.09125	1.2
166.99820	0.3
169.01360	3.4
171.01767	0.3
171.54587	0.3
173.02466	0.3
173.06001	5.1
179.05640	0.4
179.07034	2.9
180.04228	0.4
191.07083	4.2
195.06540	0.9
197.08121	13.6
198.08424	0.6
205.12114	0.3
209.08131	6.6
210.08760	0.3
211.02309	0.4
221.08151	1.0
227.03477	3.4
227.09169	3.2
229.04953	0.6
239.09303	0.8
245.10255	0.6
247.02473	0.4
251.09155	0.6
255.02971	5.0
256.03394	0.6
257.10355	2.9
267.12439	0.3
271.02261	0.5
271.04803	0.4
284.03214	3.2
285.04071	5.4
286.04181	0.4
287.11288	1.4
299.01993	1.2
299.11475	0.5
300.02844	0.5
300.99710	0.3
301.03458	0.5
317.12430	1.7
431.18140	0.5
447.09158	0.3
522.33234	0.3
523.21655	0.4
523.34473	1.1
577.69702	0.3
583.14404	0.9
583.23816	2.1
584.15552	0.4
584.24396	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.8
57.03321	4.3
58.00484	1.6
59.01254	100.0
60.01580	2.7
61.98705	31.3
65.00198	1.8
69.03313	1.9
70.99472	1.3
71.01254	24.3
72.99163	1.8
73.02825	3.7
79.05445	2.1
81.03357	1.4
83.01299	3.8
83.04906	4.7
85.02842	5.8
87.00764	5.0
89.01801	2.9
89.02313	20.6
91.05424	2.3
93.03346	4.3
93.07027	1.9
95.01279	3.7
95.04898	1.6
97.02834	1.7
97.06487	3.3
98.20549	4.3
101.02334	21.9
107.01260	5.4
107.04916	5.4
109.06474	18.3
111.00786	2.5
111.08056	3.4
113.02329	12.5
117.03362	2.1
117.07002	1.9
119.03386	8.7
119.04831	1.7
120.05704	2.9
120.93187	1.5
121.06446	2.4
122.03597	2.8
123.00739	2.3
123.38506	1.4
125.02338	24.5
125.05920	2.5
126.02676	4.6
127.02868	2.0
133.06494	2.4
135.04436	2.8
135.08031	1.7
139.07579	5.7
143.03476	2.1
143.04935	2.0
145.06491	2.2
147.08099	1.8
147.11784	2.0
149.02380	3.5
150.03166	11.6
151.00275	5.8
151.07594	2.0
153.05496	5.4
155.07050	61.6
159.04430	1.9
161.04474	6.9
161.05989	4.8
161.09642	8.1
161.13188	2.6
163.11131	2.6
165.05490	15.9
169.01343	29.0
170.01695	8.7
171.01813	6.6
171.06595	2.2
173.06013	1.9
179.05484	3.9
179.06972	1.5
183.04420	3.2
187.11214	11.8
188.11546	2.8
189.09200	7.9
195.06537	9.0
197.08115	6.2
203.10783	2.7
205.12317	7.7
209.08205	3.4
211.04041	2.2
223.13356	15.4
224.13776	2.7
227.03459	67.9
227.09251	2.6
228.03796	5.2
229.04941	2.7
229.12363	1.8
247.02330	2.1
248.84471	1.8
249.11353	4.5
255.02975	91.5
256.03464	13.8
257.04407	2.5
267.12436	13.2
268.12720	3.4
269.13016	2.6
284.03262	83.5
285.03992	56.0
286.04346	4.5
299.02225	2.0
300.99979	2.3
309.13342	2.5
333.11948	18.5
353.32858	1.6
357.13309	3.3
361.29398	5.2
369.15298	6.3
370.15625	2.0
371.16205	4.5
429.17575	5.9
430.18011	5.1
431.18344	14.4
432.18610	2.1
447.09354	10.4
449.27756	2.3
523.35394	9.8
535.19403	4.7
583.14575	42.7
583.23907	50.8
584.14795	10.2
584.23993	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	583.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.6
58.00459	2.0
59.01253	63.7
61.98705	17.6
65.00203	0.8
65.03826	1.5
69.03329	2.0
69.30058	6.5
71.01256	13.6
72.99183	1.0
73.02831	2.7
75.00739	2.1
81.03280	0.6
83.01263	1.3
83.04903	3.7
85.02833	4.5
87.00738	0.8
89.02319	5.0
90.00107	0.5
91.05439	0.9
93.03321	3.2
93.06973	1.9
95.01227	3.0
95.04961	0.9
96.95900	1.4
97.02832	1.7
99.00755	1.0
101.02322	10.3
103.05363	0.6
105.06976	2.0
107.01275	3.5
107.04917	1.1
109.02847	2.6
109.06485	2.7
111.00780	1.7
111.08055	2.5
113.02336	8.4
117.03341	3.3
117.06999	1.7
119.03411	3.2
119.04918	1.4
121.02886	1.1
121.06485	3.7
122.03619	1.0
123.00765	4.0
124.01585	0.9
125.02341	25.2
126.02659	2.3
130.04173	0.7
131.04941	1.6
133.06493	3.1
135.00755	1.1
135.04451	0.9
135.08057	2.3
137.05981	1.9
139.00247	1.8
139.07562	6.6
140.01042	2.1
143.04912	2.6
145.02818	1.1
145.06494	1.2
147.08070	2.5
149.02330	2.1
149.05949	1.4
150.03151	5.3
151.00293	4.0
151.03958	0.7
151.07562	2.3
153.01848	1.3
154.04152	0.8
155.07051	67.3
156.07372	3.0
159.04427	2.2
160.01639	1.0
161.04477	3.7
161.05986	5.7
163.00284	2.5
165.01854	1.2
165.05501	5.1
165.09157	0.8
166.99820	0.8
168.00546	2.6
169.01349	33.8
169.06422	0.9
170.01755	4.0
171.01756	2.4
171.04510	0.8
173.06007	4.0
179.03371	0.7
179.07050	2.0
180.04227	0.7
183.04417	1.3
185.05991	2.4
187.03922	3.4
191.07050	3.1
195.04703	0.6
195.06531	3.5
197.06177	1.0
197.08093	9.2
199.03888	1.1
199.67525	0.8
201.05466	0.8
205.12263	1.1
209.08125	4.6
211.03922	2.2
213.05522	1.8
227.03441	9.2
227.09213	2.4
229.05000	12.0
239.03532	1.1
240.04181	1.0
241.04988	2.1
243.02982	0.7
255.02975	10.1
256.03500	1.9
257.04514	6.2
257.10330	2.1
258.04840	0.7
267.03107	0.8
273.00430	2.7
283.02481	3.6
284.03262	10.4
285.04047	100.0
286.04376	9.8
297.06168	14.7
297.35040	0.7
298.06482	1.3
299.11157	1.1
299.99124	0.8
300.99826	0.9
301.03537	0.6
302.52341	0.7
357.13358	1.1
361.23993	3.5
369.13266	1.0
413.16946	0.6
429.08228	3.6
447.09421	1.5
505.18707	0.7
523.34625	1.5
535.19775	1.7
556.04553	0.7
583.10632	10.2
583.22852	6.1
584.11462	2.4
584.23779	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07503	0.7
57.03329	1.9
59.01254	100.0
60.01606	1.5
61.03169	0.7
61.98706	12.3
69.03352	1.3
69.23873	0.7
71.01256	18.9
71.58073	0.9
71.58484	0.7
72.87360	0.8
72.99204	1.1
73.02806	4.3
75.00755	1.5
78.95793	1.2
81.03322	1.0
83.01277	2.6
83.04902	1.4
85.02814	6.5
87.00780	2.2
88.98679	1.5
89.02325	6.4
93.03357	1.3
95.01266	2.2
96.95889	17.7
97.02859	0.9
99.00782	2.0
101.02325	11.6
107.01230	1.1
109.02881	1.0
109.05582	0.7
109.06490	2.7
111.00803	1.1
111.08048	2.8
111.22165	0.8
113.02331	9.0
119.03391	2.6
121.02872	2.3
122.03622	2.3
123.00757	4.2
123.04375	1.3
124.01586	0.9
125.02374	5.9
125.06001	1.2
133.02908	0.9
135.04442	1.5
136.01587	1.1
136.20592	0.9
137.02354	1.5
137.05995	3.3
139.00264	1.6
143.03387	1.1
149.02303	3.7
150.03169	9.2
151.00285	2.8
151.03912	1.9
155.07059	40.3
156.07361	2.0
159.02896	1.7
161.02373	1.0
161.04459	14.9
165.05492	10.7
168.00479	1.6
169.01332	8.3
175.03857	1.0
179.05591	0.9
181.04994	1.6
189.05582	1.2
193.05061	1.0
195.06526	4.9
205.12215	1.0
206.95798	0.9
209.11690	1.2
227.03494	1.2
249.11060	0.9
255.02972	1.5
271.04773	1.0
285.04111	0.9
299.01834	1.1
300.02701	1.0
300.99838	1.0
318.36188	0.9
331.22739	2.7
348.24881	0.9
357.13657	1.5
361.23807	6.2
385.25931	2.2
387.14633	2.2
421.06003	1.4
431.23154	1.3
523.29144	1.1
535.19525	4.0
536.20258	0.9
565.21973	1.6
583.11658	1.3
583.27130	9.9
584.27179	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.2
58.00463	1.2
59.01254	23.6
60.99200	0.8
61.98705	31.1
63.02271	1.5
65.00199	2.6
67.01796	0.8
68.35024	0.6
69.35844	7.7
70.34563	0.6
70.60661	0.8
71.01257	9.8
72.99172	1.4
73.02814	2.8
83.01258	3.3
83.04896	1.4
85.02814	2.6
87.00799	1.4
88.98228	0.7
88.98660	4.3
89.02326	6.2
93.03344	9.8
93.06985	1.1
95.01251	2.1
96.95891	2.0
99.00739	1.0
101.02345	6.3
107.01288	7.0
108.02032	2.7
109.02862	4.2
109.06475	1.2
111.00790	1.4
113.02349	4.3
116.92729	1.1
119.03394	2.6
121.02822	4.1
123.00790	4.8
125.02348	8.9
133.08998	0.8
135.00790	1.3
135.04401	1.1
136.98660	0.8
137.02348	16.6
139.00272	1.7
140.00977	1.0
143.03467	1.3
148.01570	3.3
149.02324	1.2
149.05959	1.0
150.03094	1.0
150.99132	1.5
151.00288	22.4
153.01845	1.4
155.07051	11.2
159.04469	0.8
161.02422	1.1
161.04478	2.5
161.09732	1.1
163.00311	4.1
163.03951	1.0
164.01004	1.4
165.01721	0.8
165.05521	1.2
165.09203	0.9
166.99783	1.4
168.00496	1.1
169.01364	15.1
170.01663	1.0
171.77013	0.7
175.03902	1.0
177.01857	0.9
178.99773	9.1
179.05533	1.6
180.00415	0.8
183.04417	1.6
185.65932	0.7
186.92337	0.8
187.03889	1.1
197.08131	0.8
198.03198	1.0
199.03925	2.0
205.12270	1.4
209.11801	0.8
211.02342	1.4
211.04037	1.8
213.01878	1.4
216.04115	0.9
223.13223	1.0
226.02689	2.5
227.03510	4.9
229.04985	1.4
243.02972	14.9
244.03427	1.7
245.04506	2.2
247.02411	4.6
253.09207	1.2
254.02139	2.1
255.02972	34.9
256.03293	2.8
267.12418	1.1
267.68884	0.8
271.02469	69.7
272.02982	6.9
273.04034	1.7
278.78885	0.9
283.02426	2.4
284.03265	2.1
285.04001	3.0
287.22269	5.2
299.02121	3.7
299.04974	0.8
300.02734	100.0
301.00238	2.8
301.03494	70.4
302.03891	4.3
361.23624	1.4
441.67288	0.8
445.07791	22.3
446.08273	2.8
463.02823	1.3
463.08902	20.6
463.15558	1.3
464.08978	2.9
561.19873	0.9
583.10907	40.1
583.24432	9.3
584.11267	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.2
58.00463	1.2
59.01254	23.6
60.99200	0.8
61.98705	31.1
63.02271	1.5
65.00199	2.6
67.01796	0.8
68.35024	0.6
69.35844	7.7
70.34563	0.6
70.60661	0.8
71.01257	9.8
72.99172	1.4
73.02814	2.8
83.01258	3.3
83.04896	1.4
85.02814	2.6
87.00799	1.4
88.98228	0.7
88.98660	4.3
89.02326	6.2
93.03344	9.8
93.06985	1.1
95.01251	2.1
96.95891	2.0
99.00739	1.0
101.02345	6.3
107.01288	7.0
108.02032	2.7
109.02862	4.2
109.06475	1.2
111.00790	1.4
113.02349	4.3
116.92729	1.1
119.03394	2.6
121.02822	4.1
123.00790	4.8
125.02348	8.9
133.08998	0.8
135.00790	1.3
135.04401	1.1
136.98660	0.8
137.02348	16.6
139.00272	1.7
140.00977	1.0
143.03467	1.3
148.01570	3.3
149.02324	1.2
149.05959	1.0
150.03094	1.0
150.99132	1.5
151.00288	22.4
153.01845	1.4
155.07051	11.2
159.04469	0.8
161.02422	1.1
161.04478	2.5
161.09732	1.1
163.00311	4.1
163.03951	1.0
164.01004	1.4
165.01721	0.8
165.05521	1.2
165.09203	0.9
166.99783	1.4
168.00496	1.1
169.01364	15.1
170.01663	1.0
171.77013	0.7
175.03902	1.0
177.01857	0.9
178.99773	9.1
179.05533	1.6
180.00415	0.8
183.04417	1.6
185.65932	0.7
186.92337	0.8
187.03889	1.1
197.08131	0.8
198.03198	1.0
199.03925	2.0
205.12270	1.4
209.11801	0.8
211.02342	1.4
211.04037	1.8
213.01878	1.4
216.04115	0.9
223.13223	1.0
226.02689	2.5
227.03510	4.9
229.04985	1.4
243.02972	14.9
244.03427	1.7
245.04506	2.2
247.02411	4.6
253.09207	1.2
254.02139	2.1
255.02972	34.9
256.03293	2.8
267.12418	1.1
267.68884	0.8
271.02469	69.7
272.02982	6.9
273.04034	1.7
278.78885	0.9
283.02426	2.4
284.03265	2.1
285.04001	3.0
287.22269	5.2
299.02121	3.7
299.04974	0.8
300.02734	100.0
301.00238	2.8
301.03494	70.4
302.03891	4.3
361.23624	1.4
441.67288	0.8
445.07791	22.3
446.08273	2.8
463.02823	1.3
463.08902	20.6
463.15558	1.3
464.08978	2.9
561.19873	0.9
583.10907	40.1
583.24432	9.3
584.11267	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	14.3
60.96572	1.4
61.98712	3.7
69.50445	11.2
69.50774	2.4
71.01250	7.0
72.99190	2.6
73.02847	1.9
81.03324	2.4
83.01267	3.2
85.02831	3.7
89.02340	4.1
93.03313	1.6
95.01323	2.0
96.22511	1.4
96.95880	9.6
98.95461	3.4
99.47585	1.3
101.02348	5.4
107.01269	7.4
108.02068	3.4
109.02853	5.5
111.00782	2.4
113.02351	2.6
121.02834	2.0
123.00800	9.0
125.02338	25.6
134.03613	2.1
135.00768	1.5
136.01579	5.6
137.02399	1.8
139.00276	3.9
139.93669	1.4
141.01854	1.6
148.01550	2.5
148.71452	1.6
149.02391	1.4
150.03157	2.2
151.00272	15.9
151.03922	6.1
153.01863	3.1
155.07040	1.7
163.00310	3.0
165.05521	2.1
168.00639	4.6
169.01344	40.2
170.01653	2.8
175.04095	2.4
178.99789	5.6
193.04852	1.7
195.06554	1.5
203.03610	2.1
211.02357	2.4
211.04085	2.2
215.03506	2.0
222.32146	1.5
225.98201	1.3
226.02953	1.6
227.03549	3.7
243.02975	10.7
244.03743	1.7
245.00931	1.7
254.02173	3.1
255.02983	30.4
256.03641	2.2
269.04660	6.1
271.02441	55.5
272.02979	6.8
284.03366	2.6
285.04175	3.7
298.99142	1.6
299.01984	9.0
300.02737	100.0
300.99979	5.1
301.03336	33.4
302.03909	1.9
313.05640	11.9
422.04755	1.4
431.10010	3.6
463.08786	21.4
464.08780	1.7
583.11090	76.1
583.20801	6.3
583.24908	5.2
584.11340	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	583.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.8
57.38117	1.0
58.86039	1.0
59.01252	25.4
59.78656	1.0
61.98700	23.1
63.02283	1.4
63.53465	0.9
65.00188	2.9
65.39133	1.1
68.99703	1.4
69.03350	1.5
70.26462	0.9
70.33193	4.4
71.01252	13.3
72.99152	1.2
73.02806	1.8
81.03322	1.2
83.01239	2.7
83.04877	1.3
85.02824	6.0
85.38642	1.1
89.02304	4.7
93.03333	10.5
95.01247	2.9
96.95892	2.8
99.00769	1.2
101.02306	6.2
107.01250	8.6
107.04923	1.4
108.02048	3.3
109.02822	2.6
109.06459	1.7
111.00764	1.9
113.02320	3.9
119.03365	2.0
121.02918	2.4
123.00774	7.9
123.04414	3.9
125.01448	1.7
125.02340	28.9
125.05902	1.2
126.02663	1.8
127.03895	1.5
135.00781	1.6
135.04401	3.2
136.71437	1.0
137.02344	19.0
137.05972	1.2
138.03017	3.5
139.00272	2.1
139.03870	1.1
140.01025	2.4
148.01595	1.3
150.03090	1.9
151.00279	19.9
153.01889	1.3
155.07045	13.4
161.02342	2.7
161.04463	2.1
162.03111	1.8
163.00240	2.8
163.03870	1.8
164.00977	1.6
168.00529	3.4
169.01337	38.0
170.01581	1.4
175.03951	1.4
177.01759	1.1
177.05502	3.7
178.02594	3.0
178.99777	7.3
179.03357	1.8
190.59117	1.2
192.00635	1.1
193.04970	10.9
199.03978	1.9
205.12274	1.8
211.02446	3.5
215.03331	1.2
226.02635	2.2
227.03435	8.3
229.04965	1.7
243.02980	12.6
245.04379	1.4
254.02118	2.1
255.02975	40.1
256.03369	3.4
269.04575	17.6
270.04807	2.2
270.25375	1.1
271.02411	60.7
271.04575	4.3
272.02887	6.2
273.04111	1.9
283.02438	3.4
284.03174	10.5
285.04080	10.6
288.80331	1.3
297.06287	6.5
299.01917	9.7
300.02740	100.0
301.03455	51.6
302.03812	5.0
313.05688	14.0
331.06561	2.1
359.14914	1.1
431.10284	1.5
445.07840	14.1
446.08139	1.8
463.02704	2.1
463.08862	24.4
464.09235	3.0
583.10864	59.5
583.23767	9.7
584.11224	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	583.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.1
61.91859	0.7
63.02261	2.0
65.00181	2.3
71.01252	2.8
71.07066	1.1
80.27956	0.7
83.01257	1.1
91.42403	0.6
91.98622	0.6
93.03320	1.6
101.02334	1.1
107.01267	5.6
108.02081	1.6
109.02831	21.7
116.92742	1.7
121.02825	1.7
123.00805	1.2
124.01553	0.7
125.02340	4.9
135.00760	1.2
137.02394	0.7
148.01582	1.0
149.02382	0.7
151.00282	11.9
152.01016	0.9
153.01843	27.4
154.02191	1.2
161.02312	0.9
163.00272	4.0
163.93672	0.7
164.01099	1.7
169.01361	5.9
175.03796	0.6
177.01921	1.2
178.99803	4.4
185.06097	0.9
187.03870	1.2
187.45549	0.8
190.99820	0.9
195.02872	1.1
195.04475	0.7
199.03987	1.2
211.03935	2.0
215.03484	0.9
225.03978	1.0
226.02559	2.1
227.03453	18.2
228.03961	1.1
229.05038	2.9
230.05357	0.7
241.05260	0.9
243.02968	9.3
244.03374	1.0
245.04584	1.2
254.02150	1.2
255.02972	49.0
256.03497	6.3
257.04523	2.8
258.04855	0.7
269.04517	3.1
271.02472	46.4
272.02853	5.1
273.04019	0.9
283.02527	1.6
284.03275	33.3
285.04001	27.8
286.04404	1.6
297.06131	7.2
299.01971	2.8
300.02747	68.8
301.03461	32.6
302.03748	1.3
313.05612	1.9
340.25540	0.7
347.00562	1.0
447.09259	2.1
463.08749	13.3
464.08987	1.3
535.63342	0.8
583.10931	100.0
584.11292	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	583.111
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80675	0.2
57.02594	0.2
59.01252	1.7
59.40209	0.2
61.98696	0.4
63.02265	2.5
65.00202	1.4
68.99646	0.3
69.03331	0.2
69.85838	1.2
69.86245	0.3
71.01242	0.8
79.01750	0.3
83.01256	1.8
85.02823	0.4
87.00758	0.3
88.98679	0.3
91.01759	0.5
93.03343	1.7
95.01247	0.6
97.02842	0.4
100.17004	0.2
101.02325	0.5
107.01273	4.9
109.02817	1.0
109.06479	0.3
113.02341	0.3
114.01875	0.2
117.03365	0.3
118.72211	0.2
120.74808	0.2
121.02796	0.2
123.00775	2.3
123.04388	0.3
124.01577	0.3
125.02353	3.0
126.02670	0.4
130.04169	0.3
131.04922	0.3
133.02869	0.4
135.00758	0.8
137.02332	0.6
139.00305	0.6
140.01079	0.5
141.01904	0.2
143.04912	1.2
145.02896	0.8
145.06444	0.2
151.00278	7.6
152.00577	0.4
153.01888	0.5
154.04128	0.3
155.04964	0.3
157.06471	0.9
158.03668	0.4
159.04457	1.6
161.02330	0.8
163.00299	2.0
164.01045	1.0
165.01791	0.4
167.04976	0.6
168.00519	0.4
169.01337	5.5
169.06520	0.9
170.01715	0.4
171.04448	0.9
173.06090	0.3
174.03072	0.3
183.04480	0.4
185.05994	2.6
187.03929	2.6
189.05457	0.8
195.04460	0.7
196.05096	0.3
197.06023	0.8
199.03920	0.7
199.06042	0.2
201.05533	0.6
211.02235	0.3
211.03979	1.3
212.04579	0.3
213.05531	2.2
213.33936	0.2
214.02634	0.5
215.03340	0.4
223.13303	0.6
227.03476	2.0
229.05013	9.8
230.05347	0.7
239.03481	1.1
240.04253	1.0
241.05057	1.6
243.02972	0.5
255.02946	1.0
256.03534	0.7
257.04547	7.5
258.04932	0.6
267.03055	0.5
271.02286	0.3
283.02463	0.3
284.03397	0.8
285.04044	100.0
286.04388	7.6
297.06149	10.7
298.06552	0.8
299.02048	0.3
300.02646	0.6
313.05621	0.4
317.17624	0.4
333.11880	0.3
371.16260	0.3
431.17859	0.4
513.69635	0.3
583.10748	0.8
583.17963	0.4
583.24347	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	3.9
57.03329	4.0
59.01254	80.4
60.01569	1.5
69.57301	9.9
71.01254	68.3
72.99186	2.4
73.02818	18.6
75.00754	1.7
77.89801	1.2
79.45068	1.3
81.52635	1.2
83.01265	11.3
85.02826	29.1
87.00770	2.7
89.02325	15.2
95.01257	4.8
97.02769	1.7
98.20515	3.0
99.00752	7.5
101.02325	39.2
113.02328	29.5
119.03407	2.3
125.02332	4.4
131.03397	28.3
143.03398	4.0
149.04483	2.4
159.02873	5.4
159.04112	1.3
161.03206	2.4
161.04465	38.7
169.01401	3.4
205.03513	1.4
227.03481	1.4
227.16475	3.0
255.96895	1.8
272.83258	1.5
300.99631	1.7
389.21835	100.0
390.22183	10.1
433.20633	1.9
521.26031	31.4
522.26202	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	582.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38007	0.5
59.01254	21.3
61.16134	0.5
62.14544	0.6
63.60098	0.6
67.37855	0.5
69.19820	0.5
71.14005	0.5
71.14850	1.4
78.95781	21.0
96.96869	0.8
104.46352	0.6
152.99480	2.5
168.04207	3.4
179.28935	0.7
224.06897	8.2
242.07977	2.4
259.84540	0.6
283.26431	100.0
284.26794	9.6
325.07550	0.7
508.34082	54.6
509.34323	8.6
582.30762	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76491	0.5
59.01247	2.7
61.04575	0.5
61.98689	1.0
63.02277	1.4
65.00192	1.5
69.26113	5.8
69.26424	0.5
69.96024	0.5
71.01257	3.5
72.34443	0.5
81.03326	0.7
81.19635	0.5
81.99731	0.5
83.01245	1.8
85.02822	1.3
87.00755	0.5
89.02312	1.0
91.01748	1.0
93.03355	1.4
95.01226	0.6
96.95892	1.2
97.25371	0.5
98.04897	0.5
98.95457	0.5
101.02299	1.2
102.25437	0.5
107.01271	4.7
108.02052	1.7
109.02838	24.2
111.00764	1.0
113.02339	0.7
116.92738	1.4
117.03346	0.7
119.03411	0.5
121.02850	2.4
123.00771	1.6
125.02342	5.6
135.00754	1.5
137.02312	1.3
139.00238	1.0
148.01599	0.9
149.02322	1.0
151.00275	12.4
152.01006	1.0
153.01848	31.1
154.02237	0.6
155.50461	0.6
159.04570	0.8
161.09680	0.6
163.00279	3.8
164.01013	1.2
165.01778	1.0
168.00586	0.5
169.01360	7.7
171.04416	1.2
178.99788	5.0
183.04410	0.9
185.05998	1.2
187.03931	1.6
189.05531	0.6
190.99844	1.1
193.01358	0.8
195.02948	1.6
195.04483	0.5
197.06099	0.8
198.91908	0.5
199.04024	1.9
200.04810	0.6
203.03522	0.7
208.34917	0.5
211.03975	1.7
212.04631	0.8
213.05414	1.2
215.03444	0.5
225.03929	0.6
226.02747	1.2
227.03474	20.3
228.03894	1.5
229.05074	3.7
239.03587	1.7
243.02977	8.1
244.03366	1.4
245.04454	0.8
254.02155	2.0
255.02986	47.8
256.03555	7.0
257.04596	3.6
269.04575	5.6
271.02472	40.4
272.02985	5.2
273.03931	0.9
283.02481	1.9
284.03281	34.7
285.04031	31.9
286.04385	2.2
297.06201	8.6
299.02133	3.0
299.05222	0.5
299.16534	1.3
300.02750	70.2
301.03470	29.7
302.03922	2.2
313.05615	2.0
327.04886	0.7
343.04529	0.8
361.16629	2.0
447.09195	2.0
463.08847	14.5
464.09033	1.0
513.74097	0.6
583.10956	100.0
584.11292	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	581.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37371	6.6
56.66055	7.4
59.01256	100.0
69.69186	53.6
70.09299	6.0
71.01254	55.7
73.56704	6.8
85.02829	12.9
89.02322	99.4
96.95854	14.7
98.20501	15.7
101.02348	40.5
113.02318	26.8
119.03390	39.9
124.38312	7.3
125.02311	13.1
161.04459	12.4
169.01315	9.8
179.05531	25.2
250.76077	7.2
272.77374	8.0
283.09811	16.6
311.09247	52.3
326.11597	40.3
341.13925	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92636	0.5
59.01250	100.0
60.01594	1.0
71.01258	1.0
71.57778	0.9
75.52110	0.4
78.81090	0.5
84.14588	0.5
85.96951	0.4
88.68037	0.5
88.98687	1.6
101.02361	0.6
110.99045	0.5
116.92747	4.7
119.82509	0.5
121.02866	1.1
123.00771	0.6
125.02378	1.5
147.04466	0.7
161.04475	0.6
169.01408	1.5
171.04422	0.5
175.03944	1.2
177.01883	0.6
177.25264	0.5
189.05508	0.7
190.06335	1.7
191.07161	1.2
193.05034	0.8
194.05754	0.5
205.08653	0.8
207.06622	0.8
269.08188	7.8
281.08383	0.9
283.09802	2.8
295.09940	0.6
299.09247	5.1
311.09271	6.7
312.10046	0.7
314.11591	12.6
315.12036	1.2
325.10843	1.9
325.14670	0.5
326.11560	7.1
329.13925	45.1
330.14273	5.2
341.13913	24.9
342.14438	2.5
343.58972	0.5
349.16934	0.5
389.16049	5.3
390.16409	0.7
489.70862	0.6
581.14795	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
71.01242	1.0
88.98669	1.3
98.20554	2.7
116.92727	4.0
118.89867	0.9
121.02840	1.2
125.02319	1.2
147.04463	1.0
152.74867	1.0
165.58687	0.7
175.03918	2.4
177.01877	1.1
190.06308	1.0
191.07126	1.2
193.04938	1.5
229.79892	1.0
246.23325	0.9
269.08182	9.6
283.09708	2.9
299.09219	6.2
300.09735	0.8
311.09323	8.8
314.11557	12.7
315.11801	1.5
326.11526	7.7
327.11707	0.9
329.13940	35.7
330.14340	5.1
341.13943	20.0
342.14291	1.8
389.16086	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2239
Annotation	Alangilignoside C
Peak:m/z	Relative Intensity
50.36789	2.6
51.35584	2.8
53.73512	3.1
55.01734	3.5
57.03274	2.7
59.01252	72.2
60.01566	3.0
65.14969	3.0
67.71436	3.5
69.65083	22.3
71.01257	43.2
72.99178	6.0
73.02805	4.9
82.57652	2.6
83.01280	8.7
85.02825	11.1
87.00743	5.5
88.41492	3.8
89.02319	25.9
95.01289	5.9
96.12918	3.5
99.00764	4.8
101.02318	23.1
113.02335	9.4
119.03392	7.0
123.00793	15.1
124.01608	5.1
125.02357	4.3
137.02322	4.5
138.02173	3.5
138.03145	35.6
139.03911	3.7
153.05466	20.7
187.03947	9.2
188.04779	3.5
198.64299	3.4
202.06271	6.0
221.08197	4.3
233.08154	13.4
243.50391	3.2
326.07788	5.1
327.08752	6.0
340.09042	3.6
341.10233	5.7
343.08130	4.3
355.11853	4.6
358.10587	15.3
359.11340	19.5
371.11362	13.6
373.12897	35.2
386.14008	5.1
387.14240	4.9
389.12326	9.8
401.16153	6.3
404.14737	12.4
405.15451	5.2
419.17099	62.5
420.17401	7.1
566.19818	6.6
570.90765	3.3
581.22443	100.0
582.22699	12.3
584.70050	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	581.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.3
59.01255	36.8
61.98705	2.1
67.01747	1.1
69.03333	2.1
71.01266	3.8
71.02084	1.3
71.04934	0.8
73.02833	1.8
79.01769	0.9
81.03312	0.8
83.01235	0.9
85.02805	1.4
87.00759	3.1
89.02321	1.4
91.05475	0.9
92.16491	0.7
95.01261	1.7
97.02814	2.4
101.02334	2.4
107.01278	14.7
107.04954	1.0
109.06425	0.8
113.02336	2.3
117.50458	0.7
120.05666	1.0
123.00780	9.0
125.02339	77.7
126.02663	2.8
135.04463	0.9
139.00307	1.5
140.01141	0.8
151.00313	4.8
161.09625	5.3
161.13257	3.0
163.11108	1.1
166.19377	0.9
168.00587	1.5
169.01341	100.0
170.01706	4.0
180.88966	0.8
185.13226	1.8
187.11240	8.7
189.09148	3.5
203.10666	1.5
205.12248	5.6
206.12471	1.0
207.10286	1.0
211.02397	1.6
223.13364	19.2
229.12296	1.7
247.71893	0.8
249.11328	3.3
267.12387	20.9
268.12769	1.1
291.12317	1.0
309.13507	2.7
331.06628	1.6
331.70056	0.8
339.14444	6.0
341.95319	0.8
369.15509	22.7
370.15878	2.6
411.16711	2.7
419.13544	2.7
429.17651	51.3
430.17960	5.4
521.16406	2.4
521.33252	1.2
581.18628	24.8
582.19061	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	581.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	10.7
59.32830	0.8
61.98706	7.2
63.02241	1.2
64.00356	0.7
64.25301	0.8
65.00205	1.5
70.87407	1.8
71.01251	4.7
72.99185	5.5
78.95840	0.7
83.01237	1.0
85.02809	1.0
88.46925	0.8
88.98675	3.7
89.02321	1.9
93.03332	1.0
96.95885	1.1
101.02337	2.9
101.75663	0.7
107.01260	2.4
108.02029	1.6
109.02845	1.2
111.00734	0.9
113.02325	2.2
121.02846	1.9
122.03587	1.8
123.00774	2.8
125.02327	6.2
135.04428	0.9
137.02319	1.3
142.03694	0.8
143.03436	1.3
148.01593	1.1
149.02354	4.3
150.03127	10.7
151.00294	8.7
155.07025	1.0
161.02380	1.3
161.04462	1.1
163.00261	3.3
164.01218	0.8
165.05476	10.7
168.00639	1.2
169.01363	7.1
175.03928	2.9
178.99762	3.4
188.04614	0.9
190.02814	1.1
195.06566	4.5
198.03162	1.6
199.03896	2.2
216.04301	1.8
226.02650	8.9
227.03468	5.8
243.02966	27.0
244.03246	1.5
254.02145	7.6
255.02942	19.8
256.03400	1.8
271.02466	100.0
272.02942	11.3
278.05936	1.0
285.04007	2.0
299.01901	2.3
300.02728	80.5
300.99789	1.4
301.03363	23.6
307.05844	1.1
323.09503	0.8
325.07166	1.3
355.11972	2.0
367.11911	3.6
385.13077	0.9
405.20428	0.8
408.19363	1.0
445.07858	1.1
581.13007	84.9
581.21069	3.0
581.27557	3.1
582.13324	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	581.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69611	0.6
57.03327	2.1
59.01254	28.2
61.98709	2.4
62.30429	0.5
62.65309	0.7
65.18935	0.7
67.01772	2.1
69.03331	2.5
69.30306	6.7
69.74300	0.7
71.01258	5.6
72.99176	1.5
73.02824	1.9
77.70532	0.6
79.01780	1.8
80.72121	0.6
81.03331	0.8
82.79198	0.6
83.01273	2.0
83.04885	0.7
85.02838	2.0
87.00766	3.7
89.02337	2.0
95.01253	3.8
96.95895	2.6
97.02862	1.6
99.00792	0.7
99.04385	0.7
101.02329	3.7
107.01269	12.8
107.04947	1.0
109.02842	0.7
111.00785	1.6
113.02357	2.5
119.03369	0.8
123.00770	13.4
123.04440	0.8
125.02337	72.3
126.02687	2.0
131.36113	0.7
132.02031	1.0
134.03639	1.0
135.04454	1.7
137.02379	1.8
139.00285	1.9
140.01047	1.3
141.01860	2.4
145.02919	0.8
149.02393	0.6
149.05966	0.7
151.00266	6.6
151.03941	1.4
153.01877	1.1
160.01569	2.9
161.02258	0.7
161.04501	1.4
161.09671	4.5
161.13304	2.2
163.00191	0.7
163.11198	1.8
165.01875	1.2
165.05502	0.9
166.99770	1.4
168.00528	2.7
169.01343	100.0
170.01663	4.8
175.03941	2.0
177.05334	0.6
180.04178	1.5
185.13286	1.2
187.11229	6.7
188.11646	0.7
189.09056	3.4
191.07051	1.2
193.01382	1.2
193.04927	2.7
195.06512	2.4
203.10646	0.9
205.12248	3.7
207.10191	1.8
211.02441	4.4
215.10872	0.6
223.13350	17.4
224.13640	1.0
227.03392	2.1
229.12326	1.9
231.10220	0.6
235.06143	1.5
249.11296	2.1
255.02962	3.0
256.04010	0.7
257.00653	0.7
267.12369	18.5
268.12555	1.6
269.69565	0.7
271.04587	2.3
284.03244	4.2
285.04114	3.3
287.07779	1.9
291.12228	1.9
300.99841	1.7
309.13409	3.2
313.05679	1.6
331.06750	3.4
339.14523	5.2
369.15552	19.6
370.15775	1.0
373.07666	2.8
375.14337	0.9
411.16586	1.7
419.13562	5.8
429.17630	35.1
430.18127	3.6
461.14719	0.8
480.58472	0.7
519.18628	3.8
521.16565	4.1
537.19531	2.9
563.17603	1.7
581.18573	41.5
582.18890	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	581.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47423	3.4
59.01251	45.9
61.58877	4.0
61.98709	20.1
70.16599	10.7
71.01278	9.9
75.00729	5.5
83.53391	3.8
85.02843	7.2
88.98680	10.1
89.02325	7.3
96.95911	10.0
98.19876	4.6
101.02341	8.7
111.25611	3.5
112.78056	3.6
113.02358	4.2
125.02314	4.3
133.59306	3.7
137.24825	3.8
147.00772	14.1
161.04460	4.6
163.00278	3.7
163.86806	4.0
169.01393	7.5
175.00282	14.1
176.01012	13.4
191.03352	7.5
195.48195	3.9
202.99771	23.7
207.02855	4.3
221.00868	8.0
235.02556	20.7
246.98769	25.8
278.90585	4.4
279.01471	100.0
280.01755	8.8
336.88412	8.3
457.86417	4.2
483.18777	5.6
491.11792	21.5
492.12204	6.4
515.33746	5.1
538.98883	4.4
581.29626	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	581.13
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18178	0.9
59.01250	11.0
59.39128	0.8
59.55434	0.7
61.98697	7.5
65.00191	2.3
67.04774	0.8
69.32977	7.7
71.01258	4.0
73.61984	1.0
83.01247	1.4
85.02816	1.2
89.02319	2.0
93.03365	2.1
95.01307	0.8
96.95891	1.3
97.24265	1.0
98.19841	1.9
99.00764	0.9
101.02325	1.9
107.01258	2.7
108.02035	1.8
109.02850	1.5
119.04874	0.8
121.02833	2.5
122.03654	4.3
123.00739	2.0
124.01579	1.1
125.02338	5.2
133.02835	1.3
134.03674	0.8
140.01096	0.8
149.02335	7.7
150.03125	25.8
151.00250	9.2
153.01772	1.0
155.07025	1.8
163.00314	3.7
164.04733	1.6
165.05479	26.3
166.05833	1.4
166.99689	1.0
167.03354	0.9
169.01331	8.1
175.03934	5.3
178.99773	3.6
180.04205	2.0
181.04877	1.2
187.03876	1.1
188.04712	1.2
190.06287	1.5
195.06540	12.5
196.06914	0.9
199.03886	1.6
215.03403	0.8
216.04312	1.4
218.05774	1.9
221.11816	1.4
222.05148	1.7
226.02718	7.8
227.03403	5.7
243.02966	22.6
244.03262	2.5
254.02296	7.0
255.02948	14.9
256.03522	1.2
271.02469	100.0
272.02939	9.0
278.05688	1.6
283.02551	1.3
284.03241	1.1
285.03894	1.1
291.11893	0.8
299.01810	1.5
300.02731	68.5
300.99863	2.1
301.03430	22.7
302.03833	1.5
306.05414	1.3
307.06082	1.6
317.02441	0.9
321.07611	4.4
322.08295	1.6
323.09271	1.2
324.06458	1.4
325.06943	4.1
331.52951	0.8
336.10071	2.3
337.07181	2.5
337.10767	1.2
339.08664	2.1
340.09390	2.1
341.10138	0.8
343.04688	0.9
352.09521	1.1
354.10971	2.7
355.11838	9.1
356.12155	1.0
367.11780	11.4
445.07498	1.0
488.14261	1.0
503.16992	5.8
504.17224	1.4
533.18146	7.4
551.18732	4.2
581.12927	84.1
582.13208	13.9
582.21124	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15694	0.4
56.49941	0.4
56.94808	0.4
57.59408	0.4
59.01250	1.1
71.01257	1.6
73.02809	0.5
85.02831	1.2
89.02322	0.5
95.01260	0.8
101.02321	0.8
105.14021	0.4
107.01287	0.5
109.02818	2.8
111.00778	0.8
115.04482	0.4
121.02834	0.9
123.00776	3.0
124.01579	0.5
125.02354	2.1
135.04370	0.8
137.02342	11.0
139.00262	0.9
139.03958	0.5
142.53452	0.4
145.02905	0.4
149.02328	1.5
150.03183	0.5
151.00279	22.6
151.03891	1.6
152.01060	2.4
152.04700	3.2
153.01814	0.7
153.05405	0.4
157.93394	0.4
161.02388	0.9
162.03119	0.5
163.03885	0.7
165.01843	1.6
166.02629	70.8
167.03264	3.9
169.01332	1.2
173.80362	0.4
174.03171	0.5
175.03958	1.2
176.01025	0.5
177.01839	3.7
177.05289	0.4
179.03409	1.0
181.04988	84.9
182.05307	4.1
184.03735	1.2
189.05476	0.5
190.06271	1.6
191.03409	1.2
192.04172	1.4
193.04967	1.1
195.02870	0.6
205.04958	1.0
205.08534	1.1
207.06544	1.6
220.07372	0.6
262.80692	0.4
269.04419	0.4
329.10428	0.5
359.11584	2.5
371.14908	0.7
387.05826	0.9
387.10855	18.7
388.11053	1.6
402.13174	8.4
403.13620	0.6
417.15533	100.0
418.15829	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	579.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85095	11.3
57.09529	12.5
59.01249	58.9
61.98704	100.0
67.60497	15.5
71.01271	25.9
78.95767	61.3
90.16985	12.7
109.74780	13.2
116.30254	13.3
122.69032	12.4
125.02351	20.6
166.44225	14.0
168.25580	11.9
169.01277	17.6
171.00485	13.4
236.94321	15.1
300.02704	14.5
472.97067	12.8
579.32135	23.9
593.66113	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	579.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83734	0.8
53.40472	0.8
55.01735	1.7
57.03319	1.8
58.86559	0.8
59.01252	100.0
60.01580	1.0
60.58419	0.8
61.98705	12.9
69.03342	1.2
71.01254	29.9
71.49582	1.7
72.94510	0.8
72.99172	3.9
73.02816	8.5
74.03205	0.9
75.00739	2.3
83.01254	5.5
85.02821	12.2
85.19455	0.9
87.00752	3.9
88.98658	1.4
89.02307	10.0
95.01270	2.3
96.95869	2.0
97.02831	1.1
99.00758	3.4
101.02315	23.7
107.04897	0.8
111.00800	1.0
113.02323	16.0
119.03378	3.7
123.00743	1.6
125.02325	3.8
131.03387	2.0
143.03383	2.7
150.03114	1.3
153.00555	3.0
159.02875	3.3
161.04477	19.8
161.09630	2.8
161.13242	1.6
162.10104	0.9
165.05530	1.5
168.00620	1.1
168.02937	3.7
169.01347	3.6
179.05453	1.3
187.11180	2.9
189.09264	1.7
205.03488	2.1
205.12279	1.0
211.13438	0.9
223.13400	2.6
223.76501	1.0
227.03448	2.9
255.02917	4.1
263.16266	0.9
267.12396	2.8
269.30753	0.9
284.03259	1.3
285.04071	1.2
357.26404	2.4
383.11374	2.2
387.18008	2.9
436.29645	1.2
519.31787	31.4
520.32092	5.1
579.15271	2.7
579.27399	4.3
579.36023	1.5
580.31201	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	24.9
61.98689	0.4
70.63557	1.0
78.95779	22.8
122.98428	0.5
136.18066	0.3
148.30525	0.3
152.99500	3.5
167.62462	0.3
168.04240	3.8
189.77229	0.3
224.06905	9.8
242.07863	2.4
261.22110	0.3
279.23291	100.0
280.23624	9.5
280.26718	0.5
374.31860	0.4
504.30984	56.0
505.31351	7.8
554.55432	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16859	0.3
57.03317	1.0
58.00465	0.4
59.00951	0.5
59.01252	7.3
61.31171	0.3
61.98700	1.1
63.02266	1.0
65.00196	1.1
69.03319	0.3
69.23977	3.3
71.01252	3.1
72.99173	0.6
73.02819	1.0
75.00748	0.8
77.54121	0.3
83.01272	1.1
83.02376	0.4
85.02814	1.5
87.00769	0.7
87.04398	0.5
88.98687	0.3
89.02317	1.5
91.01770	0.6
93.03343	2.1
93.43870	0.3
95.01263	0.7
96.95907	0.6
97.02834	0.5
98.20586	0.6
99.00758	0.4
99.04408	0.5
101.02329	2.0
107.01273	3.4
109.02838	1.0
113.02327	1.2
117.03336	0.8
119.01250	0.4
119.03384	0.5
119.04913	0.9
121.02808	0.8
121.57973	0.3
122.03619	0.5
123.00767	1.3
123.04388	1.9
125.02331	3.6
131.04979	0.3
133.02870	0.7
134.03610	0.7
135.00772	1.2
135.04425	0.6
137.02350	1.0
139.00255	0.5
140.01073	0.5
141.07005	0.5
143.04913	1.1
145.02837	0.9
149.05902	0.3
151.00282	3.7
153.01857	0.8
154.04179	0.3
157.06467	0.9
159.04430	1.5
160.01552	0.9
161.02353	2.7
161.04492	0.6
163.00293	2.3
164.00987	0.3
165.01765	0.5
166.02657	0.5
167.04959	1.0
168.00560	0.6
168.05235	0.3
169.01332	4.2
169.02620	0.5
169.06482	0.6
171.04433	0.9
173.06044	0.4
175.03917	1.0
181.04985	0.6
185.06020	3.0
187.03931	3.4
187.11163	0.3
189.05536	1.2
189.09004	0.3
191.07022	0.3
193.04936	0.4
195.04462	0.6
197.06009	1.1
199.03897	0.9
201.05551	0.8
207.10292	0.5
209.11769	0.5
211.02277	0.6
211.03964	1.5
211.13315	0.4
212.04482	0.5
213.05481	2.2
215.03395	0.5
223.04074	0.4
223.13408	0.6
227.03476	2.5
229.05005	12.3
229.07295	0.6
230.05345	1.0
239.03479	1.5
240.04178	1.1
241.05070	1.5
255.02959	1.1
256.03699	1.1
257.04523	7.1
258.04868	0.6
259.14844	0.3
260.41156	0.3
267.02905	0.8
267.12436	0.7
271.06186	1.1
284.03345	0.6
285.04041	100.0
286.04376	6.6
286.49188	0.3
293.06833	1.9
300.02780	0.5
301.00027	0.5
301.03522	1.2
363.54111	0.3
402.70853	0.3
417.08408	0.7
417.15317	0.3
493.98865	0.3
519.31842	3.2
578.24463	0.5
579.11200	1.2
579.24353	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	577.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.9
63.43009	0.4
63.96103	1.3
69.03320	0.7
70.89422	0.5
71.01253	8.2
73.02814	2.0
78.98460	6.0
79.95602	12.0
80.96389	76.2
81.03342	1.0
85.02825	3.1
87.00742	3.2
92.18567	0.4
94.97961	16.5
96.95880	1.3
97.02827	1.4
99.00702	0.7
101.02306	3.5
106.97977	4.3
106.98656	0.7
122.97472	5.6
125.02353	4.3
127.03886	1.0
134.97478	4.6
136.99016	1.6
146.97479	0.7
148.99059	6.5
152.98535	7.3
163.43536	0.5
164.97263	0.9
164.98544	10.9
167.00073	0.6
182.99658	3.0
206.99608	2.9
225.00684	17.8
226.01045	0.5
229.64702	0.6
230.91945	0.5
243.01732	1.7
277.21805	2.4
299.04288	2.4
341.96286	0.6
404.35468	0.5
577.26831	100.0
578.27179	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	577.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	16.0
59.70453	1.1
71.01249	3.6
71.57231	1.5
89.02309	2.3
101.02318	3.1
103.07051	0.9
131.27600	1.1
139.54565	0.9
158.58572	1.0
174.03171	1.3
185.03960	1.0
235.08197	1.8
253.09233	14.8
281.24863	100.0
282.25192	10.7
293.21265	1.3
454.25992	1.3
527.18158	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13852	0.2
59.01250	16.0
61.98688	0.4
63.43729	0.2
71.01255	0.6
71.04935	0.5
71.05276	0.4
78.95778	6.7
78.98453	0.4
79.95592	1.0
80.96390	6.1
81.96277	0.3
82.95982	0.6
87.00735	0.3
94.97949	1.2
96.96822	0.2
99.65758	0.3
107.00591	0.2
114.00621	0.3
125.02353	0.4
134.90863	0.3
134.97469	0.4
148.98990	0.5
152.98447	0.2
152.99489	1.3
164.98534	0.9
168.04256	1.5
180.18597	0.3
224.06883	1.1
225.00662	0.6
226.01115	0.5
242.07938	2.5
261.22101	0.5
279.23279	100.0
280.23621	9.2
285.18201	0.3
299.04541	0.3
425.36069	0.3
504.30954	22.0
505.31265	3.4
578.27228	8.3
579.27039	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	577.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99426	0.5
52.03781	0.4
55.01746	1.0
56.55467	0.4
57.03323	3.1
58.00443	0.9
59.01254	18.7
61.98675	1.6
68.67180	0.5
69.53777	2.8
69.54179	1.0
71.01254	16.6
72.99174	2.4
73.02815	5.2
75.00745	3.8
83.01261	3.0
85.02818	7.4
87.00739	1.4
89.01817	0.8
89.02319	8.8
89.03827	1.4
95.01246	2.2
96.95863	1.9
99.00747	1.6
101.02326	15.1
107.01240	0.7
113.02336	6.2
117.03354	3.9
119.03397	3.1
123.00755	1.3
123.08029	3.6
125.02371	2.8
129.01848	0.6
132.02077	6.0
133.02847	4.7
134.03633	46.2
135.04048	2.0
137.02289	1.0
139.03877	0.6
143.03375	0.8
147.04367	1.1
149.05981	3.3
150.02936	0.8
151.03976	0.6
160.00224	1.2
160.01564	23.9
161.02368	11.2
161.04451	1.4
162.02840	0.8
166.99773	0.6
168.00558	0.5
169.01387	3.3
175.03920	22.6
176.04506	2.0
177.01830	1.0
177.12785	5.3
178.02637	1.1
178.12978	0.7
179.03394	1.1
189.01759	0.6
191.03490	0.7
191.07086	1.9
193.04988	19.1
194.05333	0.8
195.13782	2.3
199.95039	0.5
221.11844	4.0
225.61504	0.5
235.06093	3.2
300.02704	0.6
300.99799	0.7
305.03287	0.6
355.46713	0.6
401.18152	100.0
402.18481	11.0
533.24072	3.4
577.22949	57.0
578.23212	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	577.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	1.2
57.03339	3.7
58.00466	1.2
59.01254	24.5
61.98712	5.9
65.73846	0.6
69.03315	0.8
71.01254	21.5
71.57890	1.1
72.01583	0.9
72.99179	2.6
73.02825	7.3
75.00747	2.6
83.01264	3.8
85.02830	10.4
85.24196	0.7
85.99955	0.9
87.00749	2.9
89.02318	10.6
89.03856	1.2
95.01286	1.9
95.04932	0.7
96.95897	2.1
99.00762	1.8
101.02328	19.7
102.02694	0.7
107.01286	1.3
109.83817	0.6
111.00784	1.4
113.02330	8.9
117.03334	4.1
118.89724	0.7
119.03391	3.5
119.04926	1.0
123.00794	1.5
123.08065	4.7
124.01563	0.6
125.02324	3.4
129.01826	0.8
131.03447	1.6
132.02092	6.0
133.02846	5.0
134.03642	46.5
135.04372	2.0
137.02328	0.9
139.00250	0.8
145.06441	0.6
147.04381	0.8
148.01483	0.6
149.06013	3.6
151.00255	0.9
151.11134	0.9
159.23476	0.7
160.01584	29.9
161.02361	11.2
161.04475	2.7
162.16508	0.6
162.54819	0.7
165.01744	0.8
165.05499	1.1
168.00543	1.3
169.01315	4.4
171.10236	1.5
175.03937	23.2
176.04613	3.0
177.01878	0.9
177.12747	7.1
178.02733	0.9
179.03476	1.4
191.07106	1.7
193.05002	17.0
195.13860	1.9
207.06438	0.8
211.02457	0.9
221.11760	4.2
235.06145	3.4
253.09251	1.1
282.11371	0.7
284.03439	0.8
295.08234	0.8
301.00055	0.8
341.23236	4.5
385.22281	0.8
401.18176	100.0
402.18524	11.6
496.75571	0.7
517.30060	2.5
533.23993	3.6
534.24060	1.0
545.19879	1.0
574.74731	0.7
577.22955	73.9
577.32050	3.3
578.23303	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51439	0.5
57.03304	0.5
57.58549	0.4
59.01250	6.4
59.03272	0.4
61.98703	1.7
63.96105	1.5
69.03343	0.5
70.09644	2.3
71.01257	8.6
73.02824	1.4
78.95776	1.6
78.98456	6.3
79.95607	11.7
80.96390	80.6
81.03361	0.6
85.02827	4.1
87.00761	2.8
94.97961	17.1
96.95901	1.3
97.02831	1.9
99.00726	0.5
101.02324	1.9
101.64466	0.4
106.97954	3.8
111.49540	0.6
121.02832	3.7
122.97469	4.0
125.02318	3.7
125.93618	0.4
127.03876	1.1
134.97481	4.3
136.99055	1.6
148.99054	6.6
152.98537	5.0
162.59694	0.4
164.98543	13.7
166.99979	0.6
168.04237	0.5
188.98624	0.5
193.05035	2.8
206.99670	1.6
225.00699	15.4
242.07997	0.7
245.45003	0.5
268.57758	0.5
277.21750	1.8
279.23291	26.7
299.04376	3.1
504.31058	5.9
577.26855	100.0
578.27203	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	576.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	4.1
61.01702	0.8
61.98703	100.0
69.03348	0.7
71.01257	2.9
71.34261	1.3
73.02824	0.7
75.05227	0.6
78.98460	2.7
79.95601	4.0
80.36189	0.6
80.96389	23.3
85.02815	1.2
87.00780	0.9
94.97958	5.7
99.43463	0.6
106.97968	0.9
110.26701	0.8
122.97402	1.1
134.97473	1.2
148.99097	1.6
152.98576	1.7
157.53183	0.6
164.98572	3.3
206.99719	0.8
207.21860	0.6
225.00699	4.3
248.38399	0.7
253.09384	1.3
254.09648	1.0
255.09848	1.3
277.21738	5.4
278.22067	8.4
279.22348	5.9
280.22791	2.1
299.04559	1.8
385.67444	0.7
577.26825	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93012	0.4
57.47609	0.4
59.01248	1.8
61.98703	100.0
62.88936	0.4
70.80307	1.2
78.95789	0.9
192.78867	0.4
211.02618	0.5
225.00851	0.5
233.14481	0.4
253.09358	0.7
255.09846	0.4
277.21786	2.7
278.22104	3.6
279.22360	2.1
280.22787	1.5
514.82251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	19.7
71.01233	0.4
71.14080	0.5
71.14412	0.5
77.31946	0.3
78.95771	7.3
78.96217	0.5
96.96835	0.3
103.24142	0.3
117.80724	0.2
152.99490	1.8
168.04233	1.8
224.06894	0.8
242.07928	3.6
259.20718	0.7
277.21716	100.0
278.22073	9.9
477.64670	0.3
502.29395	26.8
503.29761	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	576.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	29.3
70.86116	0.9
71.01254	0.8
73.02792	0.3
78.95776	28.5
78.98456	0.4
79.95598	1.0
80.96391	7.0
81.56448	0.3
85.02799	0.3
90.00115	0.2
94.91322	0.3
94.97970	1.8
96.96848	0.5
106.97924	0.5
116.67410	0.3
122.97467	0.6
122.98339	0.6
134.97476	0.4
148.99062	0.8
152.98477	0.4
152.99529	3.5
162.69684	0.3
164.98534	1.1
168.04211	4.1
224.06894	11.9
225.00676	1.3
233.22525	0.3
242.07924	2.5
259.20673	0.5
275.20081	0.8
277.21713	100.0
278.22061	9.4
413.20975	0.4
502.29398	63.7
503.29697	8.3
506.04056	0.3
577.26740	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	577.1351
Annotation	Kaempferol 3-(6''-(Z)-cinnamylglucoside)
Peak:m/z	Relative Intensity
54.65551	0.7
57.03331	1.1
59.01254	11.1
60.16171	0.6
61.98708	6.1
63.80744	0.6
65.00204	0.8
71.01256	6.7
71.37846	1.3
72.99168	2.3
73.02815	2.0
73.59582	0.7
75.00751	1.3
78.95781	0.8
83.01283	0.7
85.02809	2.3
87.00730	1.0
89.02303	3.0
95.01263	1.0
96.95869	2.5
99.04362	1.5
101.02335	4.1
107.01246	1.8
108.02066	0.7
109.02787	0.9
111.00748	0.8
113.02347	1.7
119.03354	1.0
123.00787	2.3
123.04415	1.7
125.02341	3.2
132.01973	0.8
137.02293	1.4
143.03323	0.9
146.07010	0.7
149.04433	0.9
151.00288	2.4
153.01817	0.9
158.57063	0.8
161.04489	1.9
168.00536	2.4
169.01370	4.2
171.10234	0.9
175.03926	0.8
183.04454	1.5
185.06097	0.8
185.11633	0.8
205.04967	1.3
211.03938	3.1
213.05525	1.1
221.15369	0.9
227.03453	82.3
228.03775	4.9
229.04961	1.6
239.03558	1.1
242.36580	0.8
255.02966	100.0
256.03564	11.8
257.04379	1.1
262.34576	0.8
284.03259	55.0
285.03986	24.9
286.04443	1.8
300.99850	1.1
327.04837	1.1
330.05374	0.8
375.50693	0.7
465.61868	0.8
513.23572	1.2
514.23712	1.9
577.13550	81.4
577.27161	2.4
578.13806	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	574.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51809	0.2
51.98299	0.2
52.93769	0.2
59.01257	0.7
61.98705	100.0
69.29114	1.1
69.29539	0.8
71.01266	0.2
78.95781	1.8
85.84570	0.2
89.02319	0.2
96.96850	0.3
99.33881	0.2
101.02366	0.2
105.71293	0.2
138.21492	0.2
152.99506	1.3
183.10541	0.2
209.11789	1.1
209.48808	0.2
211.13419	1.3
287.76083	0.2
347.12729	0.5
363.12262	0.7
575.26483	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38022	1.0
54.81903	0.9
57.26917	0.9
59.01255	13.3
61.98704	22.8
71.01247	3.2
72.99187	1.1
78.95778	100.0
80.02574	1.5
82.95284	4.9
83.04903	5.7
84.02052	0.9
89.77419	1.0
96.95913	1.3
96.96844	7.2
97.02873	0.9
101.02322	1.8
113.02317	1.0
114.17596	1.1
115.22231	1.0
123.85340	0.9
131.03391	1.4
134.98421	1.1
152.99495	64.2
163.11217	4.3
165.12759	2.7
169.01389	1.0
171.00581	1.4
183.13908	2.7
193.12285	2.0
202.99901	1.2
209.11771	57.0
210.12100	3.2
211.13342	48.2
212.13702	2.6
227.12845	10.3
229.72874	1.0
246.98878	2.1
279.01453	2.3
297.55960	0.9
344.61765	1.4
347.12723	13.7
363.12149	30.0
364.12436	1.7
365.13742	6.7
381.13074	6.4
383.24493	1.2
515.32422	1.6
575.26245	29.4
576.26611	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	571.2887
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
65.34759	0.7
69.56917	0.6
78.95776	73.5
96.95883	1.5
96.96839	17.8
97.92932	0.6
98.20561	2.1
150.97931	1.1
152.99490	68.1
153.65593	0.6
153.99779	1.1
160.87912	0.7
171.00537	0.9
176.88652	0.7
206.97714	0.7
223.00046	1.7
229.63168	1.0
241.01146	37.0
242.01567	0.9
255.23265	81.2
256.23575	8.3
279.37085	0.6
315.04861	11.7
338.55054	0.7
349.46707	0.7
362.03906	0.6
391.17758	1.0
391.22488	8.1
415.55582	0.7
571.28870	100.0
572.29218	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	572.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57520	0.2
59.01252	5.0
60.01574	0.4
61.01677	0.3
61.98705	100.0
71.01255	1.3
71.34844	0.4
73.75227	0.2
75.00749	0.3
78.95789	0.6
82.95318	0.2
83.01294	0.2
85.02834	0.4
87.00765	0.3
89.02331	0.6
95.01289	0.3
96.95918	0.3
101.02334	1.0
111.00787	0.2
113.02312	0.4
123.00798	0.9
125.02340	1.2
133.19859	0.2
139.00209	0.2
151.00282	0.4
152.99503	0.3
155.07060	2.0
156.07372	1.2
157.07542	0.5
161.04495	0.4
162.44807	0.2
168.00587	0.5
169.01355	1.5
196.61447	0.2
213.05524	0.3
219.08206	0.9
252.80936	0.2
350.24176	0.3
364.84583	0.3
371.20624	0.3
373.21503	0.5
374.21866	0.4
546.34003	0.2
572.27887	1.7
573.29407	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	573.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19981	0.4
55.01763	0.9
57.03312	0.4
57.03839	0.4
59.01252	12.6
60.25597	0.4
60.93959	0.4
61.98697	1.7
65.00210	0.5
67.01749	2.1
68.99682	0.7
69.03332	1.7
69.58869	1.7
69.59290	1.3
71.01256	7.6
72.99184	1.5
73.02820	1.9
74.87370	0.3
75.00734	0.8
78.56542	0.5
79.01775	1.5
81.03336	1.1
83.01255	2.5
83.04897	1.0
85.02822	3.2
87.00765	1.5
87.04423	0.4
88.98690	2.1
89.02328	1.9
95.01267	3.4
96.65203	0.4
96.95923	0.9
97.02822	2.0
98.19824	0.8
99.00766	1.2
101.02316	5.3
106.00494	0.5
107.01276	18.7
107.04909	0.8
108.01592	0.5
109.02842	0.9
110.00008	0.8
111.00769	5.1
113.02339	2.2
113.51338	0.4
119.03427	0.7
119.04911	0.6
123.00780	19.9
124.01640	2.8
125.02341	58.4
126.02674	2.0
127.00278	1.6
135.04434	0.8
136.98730	2.7
137.02336	1.1
137.06007	0.5
138.09647	0.4
139.00275	8.6
139.03880	0.8
140.01077	6.9
141.01846	2.7
143.03339	0.6
149.02422	0.4
151.00276	14.6
153.01804	0.7
155.07063	3.5
161.04482	2.2
163.03918	0.8
165.01903	0.9
165.05533	0.6
166.02615	0.5
166.99756	1.3
168.00565	8.9
169.01346	65.2
170.01677	2.9
179.03413	0.8
179.05647	0.7
181.01286	0.8
181.04947	1.2
183.02943	0.5
187.11269	0.6
191.03345	0.5
193.04994	0.6
195.06506	0.4
203.13011	0.4
205.12325	0.5
211.02420	1.0
215.07245	0.4
223.02371	0.4
242.89690	0.4
253.03442	0.9
255.03000	0.7
255.37938	0.5
295.04547	0.7
300.99826	1.7
313.05753	3.3
329.38373	0.5
350.20642	0.4
351.21744	10.1
352.22067	0.7
389.21811	1.4
403.10376	1.5
411.16241	0.6
421.11414	47.9
422.11731	5.5
441.82394	0.4
453.17868	0.5
483.18768	1.0
573.12476	100.0
574.12781	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	573.2569
Annotation	Lembehsterol B
Peak:m/z	Relative Intensity
57.03312	4.3
59.01253	78.6
60.01577	1.6
61.98706	7.5
63.02265	2.3
63.54727	1.1
64.02543	1.2
65.00198	6.3
66.00515	2.3
68.54296	1.3
71.00906	1.7
71.01256	22.2
71.04885	1.7
72.99162	2.2
73.02805	5.1
75.00735	2.6
81.03320	1.7
83.01264	9.9
83.04886	2.5
85.02824	7.0
87.00760	9.5
88.98647	2.4
89.01917	1.1
89.02327	12.8
93.03323	4.3
95.01219	1.7
95.04903	1.4
96.95929	6.1
97.02809	1.8
97.06461	3.3
99.00751	2.6
99.07993	1.7
101.02326	13.1
107.01279	11.3
107.04904	3.0
108.01583	3.4
109.02836	2.1
111.04426	1.3
113.02351	8.0
119.03416	5.9
119.04908	10.9
120.03816	1.1
120.05226	4.7
123.00781	6.0
123.04419	1.5
125.02351	11.6
126.02652	2.0
135.04375	3.5
139.00284	2.1
140.01083	1.6
145.02861	1.8
149.02286	1.7
151.00291	28.7
152.00636	8.5
152.04616	1.6
153.00702	4.8
155.06970	1.6
159.11693	1.9
161.04372	3.5
161.08183	2.5
161.09587	12.1
161.13290	5.8
163.11198	1.5
165.01810	1.8
166.99686	2.6
168.00502	1.9
169.01341	14.1
170.01674	1.8
171.29314	1.2
177.01927	2.4
181.04915	1.5
185.13266	1.9
187.11229	17.3
189.09167	6.6
191.03499	7.9
203.10716	2.3
205.12230	3.5
223.13342	22.2
227.07158	1.2
229.12245	2.1
237.63844	1.5
243.02995	1.7
249.11165	3.5
255.02914	3.2
256.03241	2.1
267.12436	18.9
271.02472	2.7
271.06189	25.2
272.02774	3.5
272.06442	28.0
273.03357	2.6
273.06696	20.5
274.06815	2.0
282.35220	1.4
297.07611	5.6
300.02704	3.5
300.99756	2.0
301.03058	5.6
302.03464	6.1
309.13226	3.1
323.13489	18.5
324.13773	1.6
339.08762	2.2
339.14331	2.5
351.21835	2.7
369.15527	11.9
375.27173	1.5
406.02557	1.4
421.24567	1.7
429.17599	5.4
511.25320	1.9
513.23138	2.3
536.06610	1.6
555.24408	2.8
573.15997	6.9
573.25354	100.0
574.17120	1.8
574.25610	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	571.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	9.9
60.01584	0.5
61.98707	23.0
63.02026	0.4
63.02272	3.8
65.00192	7.5
67.01741	0.5
68.99660	0.5
71.01259	4.3
71.57410	0.5
73.02812	1.1
79.01773	0.4
81.03320	0.6
83.01260	6.3
85.02833	2.3
87.00761	0.8
87.04392	27.4
88.04742	5.9
89.02337	0.9
89.04818	1.2
93.03337	6.6
95.01263	0.9
96.95891	0.9
97.02818	0.5
101.02341	3.1
107.01273	15.5
109.02840	0.5
111.00750	0.6
113.02334	1.1
119.04920	31.8
120.05251	1.8
121.02859	0.8
123.00763	4.9
125.02330	10.2
126.02666	1.7
130.09457	0.4
131.01314	0.6
131.03441	0.9
133.02832	0.6
135.04448	0.4
136.98692	0.8
137.02332	0.7
139.00246	0.9
140.01035	1.2
142.39326	0.5
145.02858	1.1
145.06461	1.0
149.02286	0.4
151.00281	44.5
152.00575	2.1
153.01918	0.4
161.04456	0.8
161.05861	0.4
163.84546	0.4
165.01860	2.4
166.99731	0.6
168.00586	1.5
169.01332	12.0
170.01646	1.7
171.01765	0.9
171.04381	0.5
175.00301	1.8
177.01859	5.9
185.06010	1.0
187.03941	1.2
193.01346	1.0
203.07185	0.5
211.02490	1.0
212.07814	0.8
217.06580	3.6
225.75861	0.4
227.07034	1.0
240.62833	0.4
255.06595	3.7
256.06915	3.2
257.07169	1.6
271.06125	100.0
272.06470	6.0
295.06168	1.9
313.06726	2.0
314.06073	1.8
315.06070	2.5
349.23788	0.8
377.21762	1.0
378.22137	1.8
379.22403	2.0
398.70163	0.4
510.26462	0.9
511.25986	0.6
571.13763	8.6
571.27576	17.0
572.13788	0.6
572.27771	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	571.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.4
59.01254	9.2
60.01586	0.4
60.86330	0.3
61.98706	26.5
63.02269	3.2
65.00197	8.5
67.01784	0.4
69.03333	0.5
71.01259	3.7
71.58031	0.5
72.99155	0.6
73.02821	1.2
79.01770	0.5
83.01259	5.5
85.02832	2.0
87.00761	0.7
87.04391	27.1
88.04731	5.0
89.02320	1.6
89.04823	1.0
93.03342	7.4
95.01270	1.2
96.95902	0.6
97.02856	0.7
101.02335	3.4
102.02665	0.4
107.01276	15.8
108.01537	0.5
109.02829	0.4
111.00766	0.5
113.02318	1.4
117.03470	0.4
119.04919	32.4
120.05231	1.3
121.02820	0.9
123.00778	5.2
125.02342	11.3
126.02666	1.3
127.00255	0.5
127.02797	0.3
131.01286	0.4
131.03392	1.1
135.04396	0.4
136.98679	0.5
139.00311	0.9
140.01048	1.2
141.01859	0.7
145.02844	0.9
149.02356	0.5
151.00279	45.2
152.00610	2.2
155.07030	1.1
161.04529	0.5
161.05954	0.7
164.01064	0.6
165.01889	2.9
168.00607	1.6
169.01349	12.9
169.02791	0.8
170.01688	1.6
171.01814	0.5
171.04420	0.7
172.04788	0.4
175.00293	1.7
177.01884	5.7
179.03491	0.4
179.05482	0.4
185.06059	0.9
187.03929	1.3
189.22208	0.3
193.01259	0.6
211.02441	1.2
211.07674	0.5
217.06525	5.0
227.07094	1.2
255.06639	3.7
256.06998	3.1
257.07089	1.9
269.00766	0.6
271.06128	100.0
272.06482	7.9
295.06174	2.4
313.06705	2.4
314.05899	2.4
315.06268	2.3
377.21893	1.4
378.22278	2.2
379.22443	2.1
451.12500	0.5
510.26343	0.6
511.26730	1.1
570.25977	0.5
571.13629	8.0
571.27466	17.5
572.13721	0.7
572.28040	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	571.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	23.2
60.99178	21.5
71.01247	6.7
83.01244	2.3
85.02827	2.2
87.00740	2.1
88.98679	100.0
89.02314	4.2
93.03357	1.8
96.95881	4.3
98.08607	1.8
101.02343	4.4
107.01253	5.3
111.00784	5.0
113.02342	3.7
119.03393	2.1
123.00767	10.6
124.01566	2.7
125.02331	28.8
139.00255	5.2
140.01033	5.3
150.03192	2.9
151.00272	5.9
161.02339	2.1
165.05457	5.2
166.99809	4.5
168.00586	7.5
169.01347	41.2
179.03493	2.4
195.06567	2.3
209.08131	5.4
211.02400	30.9
211.04131	3.0
227.03484	13.2
255.02933	16.7
256.03485	2.5
271.04590	44.8
272.04959	2.7
284.03311	16.0
285.03976	5.7
331.06665	3.0
446.32581	1.8
481.17154	58.6
482.17365	7.4
525.23083	2.1
535.30920	2.5
539.71448	1.9
571.10840	18.1
571.20917	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	571.146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.4
59.01255	6.0
61.98681	1.1
63.08619	0.2
65.00181	0.8
70.51755	0.3
71.01255	1.5
71.58361	0.6
72.99168	0.3
73.02806	0.5
73.63277	0.2
74.24071	0.3
83.01254	0.5
83.04852	0.4
85.02804	0.5
87.00739	0.6
89.02309	1.0
91.01791	0.4
95.01230	0.4
96.95870	0.6
101.02308	0.6
107.01263	1.9
107.04777	0.3
108.02059	1.5
109.02834	0.6
111.00720	0.7
113.02290	0.8
113.06033	0.3
119.03356	0.4
121.02904	0.4
123.00771	1.8
124.01585	0.5
125.02345	2.3
125.05959	0.3
133.02921	0.3
135.00743	0.7
139.00253	0.8
140.07024	0.5
141.01854	0.3
145.02838	0.5
147.00819	0.3
148.01570	1.6
151.00293	4.1
152.01022	0.6
152.76750	0.3
153.01820	0.5
155.07097	1.9
159.04375	0.3
161.04437	0.4
163.00269	1.0
164.00998	0.5
168.00491	0.4
169.01353	3.4
171.04333	0.5
175.03912	0.5
177.01825	0.5
178.99803	2.9
183.04349	0.5
185.02290	0.3
187.00311	0.3
187.03914	0.6
198.03203	0.3
199.03940	1.9
201.01810	0.8
211.02342	0.7
211.04041	0.5
215.03387	1.0
216.04166	0.5
226.02625	1.5
227.03482	2.7
228.03908	0.6
229.01291	0.3
243.02979	11.6
244.03441	0.9
254.02200	1.9
255.02977	24.9
256.03360	1.7
271.02472	61.5
272.02872	5.4
283.02585	0.4
288.15131	0.3
298.99225	0.2
299.01968	12.1
300.02750	100.0
301.03333	18.0
302.03876	0.6
331.06589	0.3
349.23969	0.9
403.12427	0.4
415.06726	7.1
416.07095	0.6
419.22934	0.8
433.07651	1.4
434.08160	0.3
489.01532	0.3
571.14679	36.3
571.28455	4.4
572.14923	6.8
572.28442	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05846	0.3
55.01756	1.0
57.03330	0.7
59.01251	15.4
59.98927	0.3
61.98418	0.5
61.98707	6.5
63.02279	0.5
65.00191	2.0
67.01760	0.4
68.85954	0.3
69.03307	0.5
70.06902	0.3
71.01253	7.7
72.99197	0.4
73.02817	2.4
78.07682	0.3
83.01262	3.7
83.59483	0.3
85.02816	3.1
87.00786	0.5
87.04391	100.0
88.04733	2.2
89.02328	1.6
93.03345	0.4
95.01268	1.0
95.67742	0.3
97.02845	0.9
99.00771	1.2
101.02324	5.0
106.82455	0.3
107.01271	4.6
108.02127	0.5
111.00793	1.0
113.02327	2.6
123.00789	2.7
124.01524	0.3
125.02337	17.6
126.02673	0.7
131.03389	6.2
136.01518	0.4
136.98753	0.4
137.02379	0.4
139.00246	0.6
139.07530	0.4
140.01018	1.0
141.01775	0.6
143.03392	0.7
145.06526	2.5
150.99129	0.5
151.00290	7.1
161.04436	2.0
164.01062	0.7
165.01706	0.4
168.00565	1.8
169.01338	24.5
169.06525	1.1
170.01703	1.3
171.04456	2.9
172.05086	0.7
175.00261	0.4
177.17213	0.3
183.08109	0.8
185.06073	0.6
187.07565	1.2
211.02454	2.7
211.07578	3.2
213.05511	2.1
213.07285	0.4
216.41920	0.4
227.07094	0.6
241.03535	0.7
255.06604	29.9
256.06982	2.7
258.03973	0.3
268.00238	0.8
269.00903	5.3
270.01419	0.5
271.04184	1.6
279.06656	1.2
285.03973	0.6
289.16666	0.9
307.17657	0.5
313.05649	21.7
314.05933	1.9
319.13974	0.3
365.87094	0.3
377.21756	16.1
378.21957	1.6
396.38000	0.3
420.40826	0.3
421.20789	1.5
509.26096	4.2
509.34207	0.5
509.35690	0.4
510.26395	0.8
556.01239	0.4
569.13025	32.0
569.25977	3.7
570.13336	6.7
570.26880	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.2
57.51001	1.7
58.00459	5.4
59.01252	81.4
61.93972	1.4
65.00182	1.7
67.01757	3.0
69.03310	1.6
71.01254	64.5
71.57236	2.0
72.99171	6.7
73.02814	3.2
75.74444	1.7
79.01759	2.2
80.29825	1.7
83.01273	4.6
85.02826	12.6
87.00756	4.7
89.02321	69.9
93.03350	1.8
95.01254	10.5
96.95895	46.3
97.02820	2.3
98.27857	1.8
101.02319	32.1
107.01270	8.9
111.00786	9.9
111.92024	1.7
113.02329	23.6
113.95948	1.5
119.03385	28.1
121.02827	7.0
123.00768	37.3
123.04447	2.0
124.01553	4.8
125.02337	42.8
127.00212	1.7
131.03366	2.0
135.04445	2.3
136.98729	4.3
137.02354	4.0
138.79770	2.2
139.00281	14.6
140.01097	10.8
141.01775	3.5
141.76794	1.6
143.03368	6.1
149.02423	3.2
149.04471	3.4
151.00281	16.3
151.03976	2.6
153.01866	3.6
156.01419	2.0
156.02744	1.7
161.04475	4.7
165.01843	16.9
165.05443	3.1
166.06261	23.2
166.99774	4.1
167.06769	2.2
168.00589	12.9
169.01343	48.6
170.01695	2.6
177.01868	15.2
179.03438	4.4
179.05550	10.0
180.04260	8.7
181.04962	2.2
181.08583	9.1
183.02948	3.2
192.04225	9.4
195.02786	1.9
195.06577	7.7
207.06534	9.2
210.05365	1.9
211.02402	9.7
225.03958	3.8
225.07495	10.2
270.99152	1.9
271.04587	4.8
282.92645	1.7
285.05991	1.7
300.99930	7.6
313.05591	2.8
361.10858	1.8
382.37634	1.7
417.13986	50.4
418.14285	6.5
521.20508	10.2
569.18817	100.0
570.19012	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	569.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03985	0.6
53.15106	0.5
56.02603	0.5
59.01254	100.0
60.01590	1.1
61.37312	0.6
63.76873	0.5
65.00189	0.7
71.01258	2.8
71.58150	1.1
73.02837	0.8
75.00764	0.9
79.15814	0.6
80.07776	0.5
83.04882	0.8
85.02811	1.2
89.02321	2.3
96.95915	1.1
101.02357	1.5
105.03356	1.1
107.01260	0.8
111.07997	0.8
113.02344	1.3
119.03378	1.0
121.02868	0.7
123.00751	1.3
125.02354	2.2
137.02341	0.8
139.00224	0.9
140.01089	0.8
151.00343	1.6
151.03932	2.9
155.07048	5.0
161.02365	13.3
161.04494	1.6
162.02719	0.8
165.05545	0.8
167.03545	0.6
169.01341	4.0
176.04704	9.7
179.03418	24.4
180.03822	1.3
191.07132	5.4
194.05791	32.1
195.06232	1.3
205.05128	0.7
209.08147	90.0
210.08490	5.7
211.02455	0.7
301.00040	1.0
384.60568	0.6
506.27609	0.6
522.22589	0.7
569.19110	0.8
569.26428	1.1
570.22839	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.6
57.03318	2.4
57.98443	1.0
59.01249	19.3
64.23441	1.0
69.36553	3.8
69.36971	7.1
71.00889	1.7
71.01255	20.2
72.99191	1.5
73.02827	7.2
73.24236	1.0
74.27211	0.9
74.65639	1.0
75.00726	1.2
79.89594	1.0
83.01263	6.4
85.02818	12.0
85.99940	1.3
89.02323	7.1
93.03340	3.8
95.01273	3.0
99.00755	3.3
101.02320	20.6
107.01288	1.7
111.00758	2.1
113.02325	9.1
119.03392	2.2
121.02851	4.2
122.03625	10.6
123.00763	2.5
125.02380	6.5
130.72211	0.9
132.02100	1.3
133.02840	4.8
134.03659	4.3
136.01532	2.0
137.02351	1.9
139.00285	2.1
141.01874	1.3
147.04382	1.3
149.02348	38.1
149.05997	5.5
150.03134	82.5
151.00229	1.3
151.03601	3.6
158.34239	1.1
159.02919	1.0
161.04440	2.9
162.03145	1.9
163.03862	1.4
164.04695	8.0
165.05489	95.8
166.05788	6.1
166.99838	2.0
169.01382	8.1
177.05521	1.1
180.04189	4.6
181.04953	4.3
195.06554	47.7
196.07300	5.1
203.03178	1.1
211.09660	11.6
344.12567	4.0
358.12799	1.7
359.15039	13.8
373.15024	30.5
374.15390	2.3
385.04440	1.3
387.16321	1.2
417.13974	9.4
456.19473	1.3
521.20264	100.0
522.20605	18.6
569.14728	10.1
569.22394	9.6
570.14886	2.1
570.22882	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01784	1.2
57.03348	0.6
59.01252	7.8
69.77984	3.6
70.38642	0.5
71.01257	8.9
71.03190	0.6
72.20624	0.5
72.99210	0.7
73.01723	0.5
73.02828	2.8
75.00786	2.5
83.01283	2.2
85.02831	4.0
89.02348	2.5
93.03353	3.2
93.51411	0.6
94.57400	0.6
95.01300	1.3
99.00832	0.8
101.02328	7.4
108.02072	0.8
111.00829	1.0
113.02346	2.6
121.02824	5.0
122.03638	13.2
123.00793	1.7
125.02330	2.0
129.01857	1.3
133.02881	2.7
134.03629	2.1
135.04413	0.8
137.02304	0.7
149.02350	21.7
149.05943	1.5
149.58627	0.7
150.03139	94.2
151.03477	3.1
161.04495	0.6
164.04730	4.1
165.05489	100.0
166.05807	4.4
169.01384	2.1
177.05449	1.2
180.04227	6.9
181.04947	2.5
195.06566	58.4
196.07185	4.8
198.13228	0.6
211.09732	5.0
280.94711	0.6
344.12457	1.8
345.13147	0.8
358.12469	0.9
359.14923	4.6
373.15018	21.8
374.15186	2.1
411.48929	0.7
417.13895	0.8
521.20288	44.2
522.20630	7.1
569.21692	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	569.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.5
59.01255	18.5
61.98675	1.5
63.56177	1.0
67.01736	2.4
69.03313	2.4
69.33418	10.1
71.00896	1.6
71.01255	20.8
72.99168	1.2
73.02814	5.4
74.60583	1.2
75.00765	1.8
79.01749	1.7
83.01237	3.3
85.02850	6.5
87.00726	4.4
87.04382	2.7
89.02318	5.5
93.03330	1.9
95.01258	5.4
96.95869	1.3
97.02856	1.2
98.19774	2.3
99.00720	3.4
101.02322	12.2
107.01286	8.6
109.02766	1.1
111.00732	3.4
113.02346	6.5
119.03345	3.3
122.99948	1.5
123.00780	18.9
124.01611	2.2
125.02348	28.0
126.02597	1.2
136.98740	1.4
137.02359	1.7
139.00203	4.7
140.00967	3.3
141.01781	3.0
145.02768	1.3
149.09639	1.2
150.03114	2.0
151.00273	12.1
155.06993	1.5
159.04385	1.2
161.04434	2.2
162.03009	1.0
163.00194	1.4
164.01030	1.0
165.01862	1.1
165.05510	1.1
167.10696	22.8
168.00493	4.4
169.01360	33.1
170.01601	1.8
177.02235	1.0
211.02327	3.7
219.13863	1.3
229.04910	4.2
237.14781	2.2
255.02853	3.5
255.16045	5.1
257.04434	3.1
271.02231	5.0
271.04810	2.0
282.50632	1.0
283.04578	1.5
285.04044	29.5
286.04321	2.7
300.02817	8.5
301.03214	3.3
313.05710	1.5
317.81824	1.2
347.18365	2.5
371.24127	3.5
399.20233	1.3
417.21301	59.7
418.21588	5.7
449.27301	1.3
466.76227	1.1
569.22174	100.0
570.22540	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	3.2
57.03329	1.9
58.24186	2.0
59.01254	100.0
65.54355	2.3
66.00925	1.8
67.01774	2.4
71.01257	66.5
72.99173	6.1
73.02809	4.2
83.01260	3.8
85.02821	13.7
87.00741	6.4
89.02320	89.1
90.53825	2.2
95.01256	8.4
96.95889	26.5
98.20538	6.8
101.02325	40.5
107.01273	4.5
111.00775	4.3
113.02324	28.6
117.65076	1.8
119.03389	34.5
121.02837	8.9
123.00780	8.8
123.04381	2.1
125.02357	21.7
131.03406	3.2
137.02293	4.7
138.03056	1.9
139.00261	8.7
140.01062	5.4
141.01859	2.8
143.03389	5.7
149.02356	6.4
149.04475	3.4
151.00296	6.1
161.04489	6.0
163.03859	2.2
165.01854	33.5
166.06262	23.0
166.99776	3.8
168.00586	6.1
169.01341	23.9
170.01624	2.0
177.01857	26.6
179.03444	5.3
179.05533	9.2
180.04193	18.2
181.04836	3.2
181.08676	9.0
190.32054	2.3
192.04236	20.6
195.02873	3.5
195.06555	22.2
207.06567	26.6
210.05284	5.0
211.02332	2.5
215.43771	2.3
225.07608	15.7
271.04739	4.5
300.99844	4.6
343.13663	2.1
401.18225	3.7
417.14001	17.5
463.29666	2.5
521.20270	22.4
569.18140	32.0
569.31683	3.0
570.18927	5.8
596.59113	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	569.188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.7
59.01259	16.5
67.01752	5.9
68.04052	1.5
69.49636	14.8
71.01261	18.4
72.99219	2.2
73.02824	2.5
75.00742	2.7
83.01257	6.2
85.02837	8.8
87.00761	2.6
89.02312	9.5
95.01266	7.9
95.23056	1.7
97.02782	1.7
97.04333	1.8
98.20520	2.5
99.00757	3.3
101.01801	1.6
101.02339	16.6
102.75752	1.6
107.01279	4.9
111.00066	3.3
111.00772	40.9
113.02312	6.8
115.93954	1.7
119.03442	2.1
123.00777	27.2
125.02349	18.4
138.99246	3.2
139.00276	52.6
141.01820	2.7
150.03142	4.9
151.00250	3.6
165.05460	3.8
166.99789	100.0
168.00345	4.4
169.01353	26.0
170.01692	2.4
177.12805	2.8
185.00804	17.4
195.04984	5.5
195.06601	3.2
211.02414	2.5
221.11874	3.3
269.02994	2.7
271.04544	3.9
288.40985	1.9
301.03268	2.6
321.16141	2.0
322.09094	1.9
329.05136	6.3
347.06067	2.8
394.75470	2.0
401.18167	87.9
402.18738	11.8
403.18552	5.5
404.07825	2.0
417.17233	2.6
467.30505	2.0
525.19800	19.6
551.17615	11.4
552.18628	2.0
569.18671	59.1
570.18994	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	569.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	3.1
58.79626	1.2
59.01253	67.2
59.14208	1.2
67.01755	3.1
69.51396	2.8
69.51810	8.7
71.01259	44.3
72.99193	7.5
73.02819	3.1
74.74042	1.1
75.00750	1.8
76.95872	1.6
79.01777	1.3
83.01269	3.7
85.02825	10.3
87.00301	1.1
87.00725	6.8
89.02319	57.1
90.02657	1.5
95.01257	6.8
96.95899	24.7
97.02834	1.9
99.00796	1.3
101.02324	28.7
107.01269	6.9
111.00771	6.1
113.02335	19.9
119.03391	24.1
121.02842	5.6
123.00774	23.1
123.04378	1.5
125.02337	31.7
127.00232	3.5
131.03413	2.5
136.98769	3.2
137.02370	4.6
139.00298	8.5
139.03915	1.7
140.01060	6.4
141.01805	3.5
143.03413	4.6
149.02357	5.1
149.04414	2.1
150.03157	2.4
151.00288	10.6
153.01918	1.5
154.99670	1.4
161.04482	4.0
163.00342	1.6
163.03860	1.5
165.01863	18.8
165.05499	1.7
166.06270	20.4
166.99789	5.3
167.07094	1.4
168.00565	12.0
169.01350	35.2
170.01682	1.8
171.10147	1.8
177.01848	13.1
179.03477	3.4
179.05516	4.8
180.04204	8.5
181.08566	8.1
183.02867	2.7
192.04155	9.8
195.06596	12.2
207.06573	12.6
210.05275	2.6
211.02443	6.0
219.99519	1.3
225.03935	2.7
225.07654	8.2
271.04642	3.8
300.99884	2.5
313.05792	1.9
314.89914	1.4
343.13913	2.4
367.60910	1.6
387.09451	1.5
417.13986	18.1
418.14426	3.1
521.20215	13.0
522.20032	2.0
569.18817	100.0
570.19012	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	569.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01791	1.1
55.85538	0.7
57.03332	0.7
58.00501	1.4
59.01254	30.0
67.01785	1.6
68.06664	0.6
69.03342	0.8
69.22477	7.4
69.22894	1.2
69.90337	0.7
71.01256	21.7
72.01628	0.8
72.99223	3.4
73.02856	1.7
74.70217	0.8
75.00774	0.8
79.01780	1.1
83.01310	3.1
85.02827	4.4
87.00801	3.2
89.02322	27.5
92.37720	0.7
95.01259	4.3
96.00980	0.7
96.95933	1.3
97.02875	1.2
98.19738	1.4
99.00827	1.6
101.02331	11.8
101.02892	0.9
107.01304	3.7
109.02910	1.3
111.00775	6.3
113.02345	9.3
116.92750	11.5
116.93490	0.8
119.03388	9.9
123.00771	11.1
124.01670	2.2
125.02337	19.3
126.02700	1.2
127.00301	1.5
131.03418	1.3
136.98770	2.6
137.02374	1.0
139.00276	9.3
140.01106	2.5
141.01889	2.8
143.03354	1.0
145.02824	1.6
147.04424	0.9
149.02371	1.3
150.03171	2.2
151.00293	8.0
153.01891	0.8
153.05574	0.9
154.99809	2.1
161.02399	2.1
161.04532	1.8
162.03128	13.6
162.04356	0.9
163.03813	0.8
165.05560	2.3
166.99745	3.7
168.00571	4.8
168.75992	0.7
169.01344	19.2
170.01680	1.0
177.05508	13.4
178.99812	0.7
179.05522	3.6
181.01364	0.8
181.05063	3.2
182.99323	1.3
195.06607	1.3
196.07402	2.7
202.40938	0.7
211.02457	2.7
211.09763	2.0
255.03079	1.0
255.08800	3.2
271.04691	2.5
313.05762	1.2
417.14032	100.0
418.14447	9.3
463.09421	0.9
479.08249	1.9
521.20184	2.4
546.09528	0.8
551.17694	3.2
569.15070	52.7
570.15723	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	569.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.8
57.03315	1.0
59.01249	10.9
61.98705	3.2
63.02265	1.9
65.00190	5.6
67.01767	1.4
68.99685	0.7
69.03305	1.0
69.56091	3.9
71.01245	8.0
72.99158	1.0
73.02824	1.6
79.01794	1.3
83.01263	6.1
85.02824	3.2
87.04390	39.5
89.02330	1.7
93.03345	0.7
95.01258	2.0
96.95926	0.7
97.02814	1.2
99.00760	0.7
101.02328	5.5
107.01270	15.3
111.00745	1.7
113.02341	2.0
123.00768	9.0
124.01556	1.0
125.02337	52.3
126.02680	1.5
131.03394	3.6
133.02846	1.1
136.01511	1.0
136.98732	1.0
137.02342	1.1
139.00247	2.6
140.01044	2.3
141.01862	1.4
141.07050	0.7
145.06468	6.2
149.02341	0.8
151.00270	20.4
152.00633	0.6
153.01814	1.1
157.06483	0.6
161.04445	1.2
164.01059	2.0
165.01915	1.0
167.03412	0.8
168.00490	3.4
169.01332	71.3
169.06445	4.4
170.01743	2.9
171.04411	8.5
172.05159	2.0
175.00351	1.2
183.08078	1.9
187.07530	3.9
193.01501	0.7
193.06511	0.7
211.02399	7.4
211.07579	9.5
212.95854	0.6
213.05495	7.6
241.03525	1.6
255.06609	95.5
256.04199	0.9
256.06906	7.4
269.08255	1.1
271.04422	4.5
279.06598	4.3
285.03922	2.2
297.07639	1.4
313.05643	69.6
314.06003	4.3
377.21774	6.2
421.20554	0.9
455.78830	0.6
508.35693	1.9
509.25751	2.8
509.36090	0.6
569.12964	100.0
569.25519	4.6
570.13306	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	569.0936
Annotation	Kaempferol 3-(2''-galloyl-alpha-L-arabinopyranoside)
Peak:m/z	Relative Intensity
52.36752	0.2
58.60443	0.2
63.02262	1.0
65.00192	0.8
69.25391	0.3
69.25798	2.3
69.30653	0.2
70.34295	0.2
71.01255	0.6
74.23809	0.2
74.37979	0.2
83.01252	0.8
85.02855	0.4
91.01751	0.6
93.03319	2.7
93.47229	0.2
95.01292	0.3
107.01273	3.4
107.62173	0.2
109.02831	0.8
113.02280	0.4
117.03356	0.4
123.00768	0.9
125.02339	1.0
131.04951	0.5
135.00789	1.6
137.02347	0.4
139.00301	0.4
141.07066	0.3
143.04933	1.7
145.02818	0.3
151.00276	4.1
153.01840	0.5
154.04112	0.4
155.04947	0.5
156.05774	0.4
157.02759	0.3
157.06482	0.9
159.04457	1.8
161.02353	0.4
161.06088	0.2
163.00276	2.9
164.01050	0.3
165.01894	0.6
167.04930	1.0
168.00548	0.3
168.05649	0.2
169.01349	2.5
169.06493	1.1
170.87573	0.2
171.04416	0.9
173.02405	0.3
173.05984	0.3
183.04401	0.7
184.05128	0.3
185.05998	3.7
186.06323	0.3
187.03947	4.5
188.04332	0.3
189.05493	1.4
195.04424	1.0
196.05133	0.4
197.05986	1.3
198.03081	0.4
199.03914	1.2
201.05495	1.0
211.03970	2.4
212.04466	0.4
213.05513	2.2
214.02594	0.4
215.03496	0.3
217.05048	0.2
218.45688	0.2
219.08186	0.2
223.04013	0.3
227.03467	3.2
228.04022	0.2
229.05013	14.9
230.05408	1.2
239.03395	1.8
240.04176	1.3
241.04974	2.3
243.02957	0.5
255.02943	1.0
256.03622	1.1
257.04538	8.8
258.04764	0.6
267.02930	1.2
283.04590	7.4
284.02823	0.5
284.05396	0.3
285.04028	100.0
286.04407	8.0
286.06818	0.1
417.08032	0.4
418.38196	0.3
426.36380	0.2
569.09247	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28772	0.6
59.01249	3.9
65.00201	1.2
67.01746	1.0
67.59198	0.6
69.03336	1.6
69.29323	6.9
69.29723	1.5
71.01254	12.4
72.99184	1.1
73.02795	0.9
79.01753	1.5
83.01279	0.7
84.94966	0.7
85.02831	2.0
93.03348	1.1
95.01286	1.8
96.17582	0.7
96.99178	0.8
97.02807	1.9
101.02280	0.7
107.01292	5.0
109.02890	0.9
111.00762	2.7
113.02339	2.0
117.42130	0.7
123.00775	23.1
124.01550	1.4
125.02338	53.7
126.02685	1.2
127.00268	1.4
136.98717	1.6
139.00266	6.1
140.01013	3.7
141.01833	3.9
149.02322	1.0
151.00279	25.8
151.03897	1.9
153.01831	1.7
159.04405	0.6
159.39256	0.7
161.02379	0.8
163.00322	1.5
164.96826	0.7
167.03406	1.4
167.10701	0.6
168.00552	5.6
169.01338	58.5
170.01678	2.2
175.40659	0.7
177.01839	1.0
178.99820	0.8
179.03409	1.4
183.04488	0.9
185.06012	1.0
187.03983	1.0
195.03006	3.8
195.04472	0.6
205.01398	1.0
211.02399	0.8
213.05493	1.1
223.02406	7.6
227.03435	6.4
229.05087	4.4
237.14951	0.8
241.05295	0.8
255.02950	12.1
256.03488	2.8
257.04565	3.3
283.04599	35.0
284.03137	16.8
285.04047	34.9
286.04361	2.6
366.27539	0.7
417.08456	3.1
417.21329	2.4
560.69812	0.8
569.09344	100.0
569.21893	5.9
570.00983	0.9
570.09674	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	569.0941
Annotation	Kaempferol 3-(2''-galloyl-alpha-L-arabinopyranoside)
Peak:m/z	Relative Intensity
53.04239	0.2
59.01252	0.6
63.02267	0.7
65.00195	0.3
71.01274	0.2
83.01266	0.6
85.02824	0.3
91.01781	0.6
93.03327	2.1
98.20656	0.4
101.02332	0.3
107.01277	1.9
107.10165	0.2
109.02856	1.1
117.03353	0.6
119.01303	0.4
123.00800	0.8
125.02331	1.9
131.04961	0.4
135.00793	1.1
137.02373	0.5
139.00278	0.3
141.06987	0.4
143.04916	1.3
145.02875	0.4
151.00272	1.5
153.01842	0.4
154.04204	0.4
155.04898	0.4
156.05684	0.4
157.06508	1.2
159.04472	1.9
163.00314	2.6
165.01883	0.5
166.08533	0.3
167.04956	0.8
168.00612	0.4
169.01369	2.0
169.06487	1.2
171.04434	0.7
173.02361	0.3
173.06053	0.5
182.03705	0.4
183.04446	0.6
184.05197	0.3
185.06009	2.7
186.06313	0.2
187.03946	3.8
189.05533	1.2
195.04404	0.6
196.05261	0.4
197.05991	1.4
198.03163	0.4
199.03912	1.3
201.05548	0.6
211.03990	2.2
212.04581	0.4
213.05531	2.6
215.03401	0.5
227.03468	3.0
228.03749	0.3
229.05017	14.1
230.05458	1.1
230.11522	0.3
239.03488	1.6
240.04164	0.9
241.05095	1.7
243.03061	0.6
255.02960	1.5
256.03671	1.1
257.04568	7.6
258.04822	0.7
260.74152	0.2
267.02817	1.2
283.04636	3.4
284.03354	0.9
285.04053	100.0
286.04407	8.0
301.03568	0.5
352.32419	0.3
417.07996	0.5
471.03513	0.2
569.09247	2.9
569.23114	0.3
570.09692	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53985	0.2
53.32235	0.2
55.01768	0.3
55.22471	0.2
55.85261	0.2
56.00413	0.2
56.24463	0.2
57.03334	0.6
58.00469	0.3
58.03354	0.2
59.01252	10.5
60.01587	0.4
60.86283	0.2
60.99159	0.2
61.98703	100.0
63.71180	0.2
69.23759	2.0
71.01251	3.7
72.99183	0.3
73.02821	1.3
75.00736	0.4
83.01273	0.7
85.02820	1.7
87.00777	0.6
87.04391	3.9
89.02314	1.8
91.05426	0.3
95.01286	0.7
96.95898	0.7
98.19823	0.4
99.00755	0.4
100.01048	0.2
101.02325	2.7
102.02670	0.3
107.01304	0.6
107.04934	0.3
109.06487	0.2
111.00792	0.3
113.02323	1.6
114.02726	0.2
114.42133	0.2
117.03395	0.2
119.03421	0.6
123.00779	0.8
125.02325	1.8
126.95950	0.2
131.03513	0.2
135.04396	1.1
136.04782	0.4
138.01904	0.3
139.00288	0.2
140.01071	0.4
140.44897	0.2
151.00287	0.8
153.05507	0.6
153.48476	0.2
155.07060	0.4
155.10638	0.3
155.75809	0.2
159.02995	0.3
161.04515	1.2
169.01361	1.4
175.03955	0.2
179.05557	0.5
209.08595	0.2
211.02539	0.2
234.87167	0.2
285.04022	1.0
289.95883	0.2
300.99683	0.4
347.22311	0.6
371.20877	0.2
372.21262	0.3
377.25568	0.3
415.79300	0.2
421.20560	0.3
507.35287	0.3
508.35223	1.1
509.25717	0.4
568.26715	1.4
568.34583	1.0
569.00208	0.4
569.25262	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	5.4
57.03328	6.4
59.01254	100.0
60.01596	1.9
61.98709	49.3
65.00184	2.1
67.01767	2.1
69.03362	2.2
69.56457	3.9
69.56866	14.4
71.01258	49.7
71.04897	2.9
72.99177	5.0
73.02828	17.2
74.36362	2.2
75.00756	4.2
78.95812	1.9
83.01269	8.8
85.02831	22.6
87.00771	2.3
87.86188	1.9
88.98687	3.3
89.02312	14.3
95.01273	6.5
96.95947	3.4
99.00777	8.4
101.02331	36.2
101.80721	2.2
105.06908	2.4
107.01303	5.6
111.00773	7.7
113.02335	18.3
119.03371	4.4
123.00761	7.8
125.02367	10.6
129.47359	1.9
131.03448	3.1
133.13582	2.2
139.00284	3.5
140.01068	5.7
141.01888	4.2
143.25040	1.9
151.00273	4.7
151.73526	2.1
153.05461	1.9
155.07042	11.9
156.07399	2.0
159.02844	3.1
160.01607	3.4
161.04425	12.5
166.99719	2.6
168.00571	6.3
169.01392	13.4
175.03966	2.8
187.11217	3.1
193.04990	2.3
196.78413	2.0
209.11743	3.3
211.02391	3.3
246.98860	3.6
255.02950	2.5
267.12390	3.5
269.00882	4.0
271.04587	4.3
276.32336	2.1
285.04056	2.9
301.00012	2.2
301.18008	2.7
312.29709	2.2
333.60504	2.1
345.17160	9.3
345.29929	6.8
346.30731	2.3
375.23779	3.5
507.35382	95.9
508.35834	15.4
567.24261	35.6
568.25311	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	567.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.1
57.03312	1.7
58.00480	1.2
59.01252	100.0
60.01561	1.0
61.98704	55.4
64.20865	0.8
69.03317	0.9
69.37852	7.2
71.01252	17.5
72.99165	1.0
73.02821	3.3
75.00754	0.9
77.83909	0.7
83.01258	1.2
83.04935	1.0
85.02827	5.8
89.02322	12.0
89.02831	1.1
93.06968	1.4
95.01260	2.1
96.95900	0.8
97.02848	1.1
98.19814	1.2
98.93707	0.7
99.00745	1.3
101.02329	12.0
105.01788	0.8
109.06475	2.2
111.08054	3.5
113.01614	1.3
113.02345	15.5
113.03127	0.6
117.07011	1.3
117.08184	0.8
119.03380	8.2
119.04885	1.4
121.06483	1.1
123.00757	1.7
125.02329	3.1
125.06012	1.0
131.03409	1.1
133.06502	2.1
135.08029	1.3
137.05997	1.2
139.07498	4.1
143.03412	2.4
143.04861	1.1
147.08052	1.5
151.07501	1.0
155.07048	65.4
156.07379	3.2
161.04472	6.7
161.05997	5.3
169.01334	2.9
173.05977	2.1
179.05519	2.1
179.07007	1.3
191.07121	1.1
197.08153	8.4
199.09692	1.0
209.08092	3.3
227.09061	1.7
236.22029	0.8
243.93030	0.8
257.10281	1.6
289.08234	0.9
314.37238	0.9
375.23846	1.7
507.35217	2.3
567.14630	1.7
567.24640	4.5
567.33923	4.0
568.34467	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84504	0.8
51.42564	0.7
56.58783	0.7
57.03318	1.8
58.00478	0.9
59.00952	1.4
59.01253	27.0
65.00201	0.9
67.01772	1.6
69.03352	1.4
71.01252	26.0
72.99190	2.3
73.02821	4.5
75.00758	1.9
79.01791	0.8
83.01273	2.3
85.02823	6.1
87.00755	2.0
89.02319	24.0
93.03355	3.0
95.01283	4.1
96.95922	1.5
97.02851	0.9
99.00768	1.7
100.80415	0.6
101.02328	13.8
107.01272	6.0
109.02830	1.2
111.00798	2.9
113.02333	10.6
119.03410	10.1
119.21777	0.6
121.02845	4.9
122.03639	11.6
123.00771	13.1
123.04436	0.8
124.01547	1.5
125.02336	20.3
127.00311	1.1
131.03398	1.4
131.18274	0.8
133.02895	2.3
136.98758	1.1
137.02368	1.6
139.00264	4.8
139.03938	0.9
140.01047	3.3
140.56401	0.7
141.01849	2.1
143.03412	1.7
145.02820	0.8
147.04422	0.9
149.02347	17.9
149.04340	0.7
150.03137	86.2
151.00290	6.7
151.03526	3.4
153.05505	0.9
159.02917	0.7
161.02347	3.1
161.04492	4.2
162.03014	1.1
163.00320	1.5
163.03918	1.0
164.04697	4.5
165.05489	100.0
166.05864	4.3
166.99814	2.7
167.03325	0.7
168.00624	3.6
169.01340	23.0
170.01707	1.6
175.03938	1.0
177.01804	1.4
177.05502	1.5
179.00017	1.1
179.03392	1.2
179.05540	5.5
180.04202	7.6
193.01337	0.9
195.06563	78.4
196.06898	3.6
198.18958	0.8
203.03442	0.9
209.08174	4.2
211.02415	0.8
217.01352	1.1
229.01297	0.9
245.00885	1.6
247.02454	1.4
257.00858	0.8
258.91510	0.7
259.99661	1.0
271.02209	0.7
271.04849	1.0
275.01904	1.4
297.06381	1.2
300.99930	6.5
342.11130	1.1
357.13458	7.8
358.13644	1.0
391.31512	0.7
391.36765	0.7
415.12515	3.4
462.04507	1.3
549.15063	0.9
567.17078	34.6
567.24786	1.4
568.17712	6.1
573.17084	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35794	0.7
53.21145	0.6
59.01254	6.3
61.91400	0.6
67.01775	1.1
69.03338	1.0
71.01250	5.0
71.57282	0.6
71.83840	0.6
72.99159	1.3
75.00749	0.9
79.01776	1.5
81.03348	0.8
82.42100	0.7
83.01266	1.5
85.02832	2.1
87.00774	0.9
89.02344	3.5
95.01253	3.4
96.95908	2.6
97.02811	1.5
99.00780	0.7
100.27722	0.7
101.02336	2.9
107.01281	8.5
109.26778	0.7
109.99967	0.7
111.00774	4.4
113.02346	2.5
121.02852	1.0
123.00775	18.6
124.01585	1.4
125.02338	36.2
126.02683	1.4
127.00247	1.3
136.98764	1.6
139.00285	6.7
140.01076	6.0
141.01845	2.8
145.02794	1.1
151.00273	11.4
151.03908	1.8
153.01830	1.0
161.02339	1.3
165.01837	1.1
166.99773	2.3
167.03368	1.0
168.00520	8.8
169.01344	47.3
170.01724	2.8
177.03812	0.6
179.03485	0.9
181.05029	0.7
189.01920	0.7
193.01457	0.9
209.04326	0.7
211.02502	3.7
271.04675	3.0
275.02075	0.8
300.99890	3.2
313.05710	2.0
397.11322	4.2
415.12448	100.0
416.12787	10.3
567.13525	50.1
567.28394	1.0
567.31183	0.7
568.13916	5.1
581.49591	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1724
Annotation	Foliachinenoside A1
Peak:m/z	Relative Intensity
53.03510	0.5
53.66445	0.5
55.01764	1.1
57.03323	1.1
57.43410	0.5
59.00949	1.0
59.01253	16.9
59.61200	0.5
65.00201	0.9
67.01761	2.0
69.03331	1.1
69.23065	7.2
71.01258	14.9
71.01659	0.8
72.85056	0.6
72.99188	2.2
73.02828	4.8
75.00758	3.3
79.01761	2.9
83.01279	2.4
84.83123	0.5
85.02824	5.9
87.00762	1.4
89.02324	5.4
95.01270	5.7
96.95945	0.8
96.99155	0.6
97.02832	2.3
97.93490	0.5
98.20496	1.1
99.00766	1.3
101.02330	9.7
107.01281	7.4
109.02833	1.2
111.00764	5.0
113.02329	4.3
115.00139	0.5
119.03393	1.9
122.03603	1.1
123.00776	28.6
124.01568	1.9
125.02342	24.4
125.60484	0.6
127.00282	1.3
129.01768	0.8
135.04430	1.0
135.06554	0.8
136.98724	2.2
137.02321	1.2
139.00269	7.9
140.01062	5.6
141.01845	4.2
143.03363	0.7
149.02333	2.5
150.03146	10.6
150.48143	0.6
151.00290	15.2
153.01842	1.7
154.99782	0.8
161.02359	0.6
161.04469	2.4
163.00264	0.8
165.05482	11.3
166.99762	1.4
168.00563	6.9
169.01349	28.9
170.01675	0.9
177.05392	0.6
179.03448	0.8
179.05557	0.8
180.04239	1.3
184.66551	0.6
191.03508	0.7
195.06583	8.3
203.03462	1.0
209.08101	0.8
211.02400	0.8
225.15054	0.7
227.12851	2.3
237.04018	0.8
247.02441	1.2
275.01974	1.1
297.06033	1.0
299.99146	0.9
300.99908	5.0
357.09708	0.9
357.13678	1.0
360.12524	1.0
375.14401	2.0
387.14423	1.8
415.12418	2.3
453.04083	0.7
462.04526	1.0
476.04327	1.3
549.16809	1.0
567.17267	100.0
567.26038	7.9
568.17535	13.5
568.26392	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	6.8
67.01761	1.9
68.99697	1.0
69.03326	1.0
70.73463	1.8
71.01250	7.3
72.99180	1.8
73.02826	1.1
74.93951	0.5
75.00750	1.3
79.01771	0.7
81.03323	0.9
83.01266	2.3
85.02835	1.8
87.00738	1.6
89.02310	3.2
90.69962	0.6
95.01288	2.3
96.95901	8.7
96.99210	0.6
97.02853	0.6
99.00752	1.1
101.02317	3.8
102.01868	0.8
107.01279	5.8
108.94789	0.5
109.99996	1.1
111.00052	0.9
111.00774	8.5
113.02348	2.6
119.03384	0.9
122.03627	0.8
123.00776	15.1
124.01565	4.9
125.02339	30.2
126.02620	0.8
127.00288	3.8
136.98708	5.0
139.00278	9.9
140.01064	12.3
141.01823	2.0
149.02365	2.1
150.03145	6.7
151.00272	9.1
152.00627	0.6
153.01759	0.9
154.99727	1.5
159.04401	0.7
161.02359	1.2
165.05510	6.9
166.99817	1.6
168.00568	21.1
169.01341	38.2
170.01709	1.0
174.31934	0.7
176.04871	0.7
177.03969	1.5
179.03410	1.4
191.07097	2.9
194.05728	0.8
195.06589	4.2
203.03423	1.0
209.08182	1.5
211.02426	3.2
223.23314	0.6
229.01385	0.8
235.06073	1.0
237.07651	1.8
243.12395	0.9
247.02266	0.7
271.04553	3.2
300.99902	3.1
302.00174	1.0
313.05582	2.5
329.04916	0.7
329.88202	0.6
357.13354	3.0
415.12442	100.0
416.12665	9.3
424.17670	0.6
521.20197	1.1
541.26471	0.7
567.13531	69.5
567.21405	2.3
568.13782	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	567.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15099	0.5
52.47116	0.5
55.01741	0.6
57.30566	0.5
59.01255	10.8
61.98708	4.8
65.00178	1.2
67.01767	0.6
69.32635	1.1
69.33028	5.3
69.62679	0.5
71.01257	5.4
72.99171	0.6
73.02781	1.7
76.26487	0.5
77.09532	0.6
83.01251	2.7
83.01653	0.6
85.02790	2.1
87.00715	1.4
89.02287	2.5
90.17199	0.5
93.03301	2.4
95.01241	1.2
96.95834	1.5
97.02861	0.5
99.00733	1.3
101.02328	3.5
107.01269	5.0
107.04879	0.6
108.02097	2.9
109.02785	1.9
111.00740	1.6
113.02297	1.7
119.01308	0.5
119.03336	1.2
121.02791	1.6
123.00790	5.0
124.01559	1.4
125.02335	10.0
134.03665	0.6
135.00746	1.4
136.98674	0.6
137.02267	1.1
139.00206	1.9
140.00992	1.8
141.01855	0.7
148.01538	1.0
150.99152	0.7
151.00282	10.3
152.00911	0.7
153.01744	1.1
153.05453	0.6
155.03412	0.7
155.07030	1.3
161.02304	0.7
161.04504	1.3
163.00266	2.4
164.01088	0.8
168.00526	2.2
168.99980	0.7
169.01350	12.7
170.01529	0.7
175.03923	1.5
178.99803	3.4
183.04500	1.1
186.72449	0.5
187.03868	1.0
190.02541	0.9
193.01262	1.0
198.03304	1.0
199.03979	2.5
201.02036	0.7
203.03381	0.9
203.39439	0.5
207.09892	0.6
209.11766	1.6
211.02290	1.2
211.04073	0.9
213.05515	1.5
215.03542	1.2
216.04152	0.8
221.04474	0.5
226.02678	5.8
227.03450	5.5
229.01370	0.6
243.02971	22.9
244.03354	1.9
245.04468	1.2
254.02184	7.2
255.02986	22.6
256.03293	2.2
257.04578	0.6
269.01248	0.6
271.02472	89.8
272.02951	10.0
273.04144	0.7
280.73135	0.5
283.02390	0.9
284.03073	0.7
299.01877	1.4
300.02756	100.0
300.99991	1.4
301.03421	30.4
302.03900	2.1
307.08353	1.7
343.04697	0.7
345.13287	0.6
345.17096	2.5
375.23981	2.1
424.91653	0.6
445.07782	1.5
542.71857	1.0
567.11615	76.1
567.24719	24.8
568.11859	13.9
568.24622	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	567.115
Annotation	Perfoliatumin A
Peak:m/z	Relative Intensity
55.01748	0.7
55.65601	0.6
57.03325	1.4
59.01255	35.3
61.98706	12.7
65.00194	1.2
71.01257	13.8
71.06138	1.8
72.99193	1.4
73.02825	4.0
75.00736	1.6
79.05423	0.6
83.01247	3.3
83.04895	0.8
85.02828	5.7
87.00755	1.7
88.98676	1.5
89.02317	4.2
91.01759	1.1
93.03345	19.4
95.01265	2.4
96.95896	2.1
97.02830	0.9
99.00751	1.9
101.02323	10.8
103.70753	0.6
104.58632	0.6
107.01286	4.2
107.17102	0.7
109.02843	1.5
111.00718	1.4
111.08050	0.7
113.02341	5.3
117.03326	0.9
119.03400	2.0
123.00803	4.3
125.02351	8.2
131.03378	1.1
132.02052	1.0
133.02904	1.1
135.00775	1.3
137.02356	37.9
138.02756	0.9
139.00262	1.1
140.01060	0.9
143.04922	1.3
145.02885	1.3
147.04398	1.0
151.00287	5.7
155.07072	2.0
156.07388	0.9
157.06566	1.2
159.02991	0.9
159.04407	1.3
160.01549	1.0
161.02292	1.6
161.04475	5.9
163.00266	3.2
165.01923	0.9
165.38126	0.7
167.04857	1.0
168.00566	2.9
169.01357	10.1
173.02617	0.7
175.03850	0.9
179.05617	0.7
183.04480	1.9
185.05971	2.8
187.03943	2.2
189.05444	1.4
195.04433	1.2
197.06093	1.1
199.03911	1.4
206.02260	1.4
209.11775	2.0
211.04057	3.4
213.05507	1.7
227.03461	32.2
228.03893	2.1
229.05005	9.0
239.03673	2.0
240.04236	0.8
241.05165	0.8
253.04933	1.2
255.02983	56.5
256.03525	7.5
257.04602	7.5
267.02960	1.3
271.04642	1.7
283.02505	2.3
284.03281	54.4
285.04044	100.0
286.04355	6.8
300.99799	1.1
313.05618	1.4
343.37799	0.7
344.09717	1.3
345.29993	3.4
375.23727	1.1
428.64410	0.7
429.08255	9.8
430.08795	1.2
447.09308	8.8
478.48126	0.7
507.35406	24.2
567.11481	38.2
567.24518	15.5
568.11829	6.1
568.24066	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21972	0.4
55.01707	0.4
57.03307	0.9
59.01252	7.8
61.98682	2.1
65.00189	1.3
69.32236	4.2
71.01257	5.2
73.02802	1.7
75.87665	0.5
81.03336	0.6
81.25056	0.4
83.01235	2.0
85.02802	1.8
85.03375	0.4
85.24098	0.5
87.00756	0.8
88.98651	0.7
89.02311	2.8
93.03315	0.6
95.01245	1.1
96.27868	0.5
96.95858	0.8
97.02789	0.6
99.00744	1.0
101.02325	3.0
107.01274	4.3
108.02058	3.6
109.02916	3.2
111.00742	0.6
113.02322	2.0
119.01334	0.6
120.57740	0.5
121.02832	1.8
123.00775	3.1
125.02345	6.9
133.02783	0.5
135.00804	0.9
135.04352	1.5
136.98720	0.5
137.02255	0.8
137.05901	0.5
138.13699	0.5
139.00276	1.0
140.01057	0.9
141.01828	0.5
145.02820	0.5
148.01550	1.0
149.02301	0.7
149.04454	0.5
150.03101	0.5
151.00272	10.8
152.01080	3.8
153.01724	1.6
161.02284	0.6
161.04443	1.5
163.00281	3.6
163.03909	0.6
168.00529	0.9
169.01352	9.8
174.03136	0.9
175.03891	1.6
177.01840	0.7
177.03914	0.8
178.99815	5.6
179.03387	0.6
182.89601	0.6
183.04375	0.5
188.04706	0.9
191.03372	0.6
192.00629	0.7
193.05003	0.7
198.03180	1.3
199.03860	1.9
201.01791	0.8
201.05409	0.5
203.06941	0.5
211.02333	1.2
211.04112	1.2
215.03450	1.2
216.04274	1.7
226.02676	9.0
227.03459	5.8
231.02921	0.5
243.02966	27.8
244.03384	2.3
254.02196	8.6
255.02957	17.2
256.03500	1.2
271.02472	100.0
272.02939	10.0
273.03665	0.8
283.02469	0.6
284.03284	0.6
285.04022	1.0
299.02011	1.5
300.02747	75.5
300.99991	1.2
301.03445	27.3
302.03854	2.2
315.07339	0.6
315.19455	0.7
375.23929	1.0
445.07968	0.8
562.64282	0.5
567.11499	87.1
567.25067	11.1
568.11816	14.3
568.20020	0.7
568.24835	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1146
Annotation	2''-O-p-Hydroxybenzoylorientin
Peak:m/z	Relative Intensity
52.61013	0.5
59.01248	2.4
61.53123	0.4
65.00192	1.6
69.03297	0.6
74.87003	0.4
83.01263	1.5
85.02812	0.7
89.02320	0.9
93.03334	6.3
95.01277	0.9
96.95920	0.6
99.00806	0.6
101.02327	1.0
104.82371	0.5
107.01269	4.6
109.02827	1.1
111.00789	0.7
113.02323	0.6
119.04900	0.5
120.02085	0.5
123.00771	2.4
125.02329	4.6
132.02112	1.1
135.00793	1.9
135.04436	0.7
137.02324	7.2
143.04971	1.1
147.04422	0.5
151.00275	6.7
151.03865	0.6
153.01822	0.7
155.09261	0.5
157.06422	0.7
159.04359	1.0
160.01555	0.5
161.02472	0.7
163.00269	2.6
164.01025	1.2
167.04907	0.8
168.00569	0.9
169.01352	7.0
169.06554	0.7
171.04373	0.7
172.05244	0.5
179.03455	0.7
183.04469	2.1
185.06013	2.3
187.03983	2.9
195.04533	0.6
197.05986	0.6
199.04024	1.5
200.04649	1.0
201.05530	0.7
211.03976	2.9
212.04703	0.7
213.05528	1.7
222.60788	0.5
227.03467	40.3
228.03854	3.6
229.05009	10.0
239.03430	2.1
240.04156	0.9
241.05122	1.3
255.02980	76.3
256.03616	13.3
257.04517	7.7
258.04919	0.7
267.02997	1.2
281.06689	5.2
283.02481	2.1
284.03265	89.6
285.04019	82.0
286.04401	5.7
299.05511	0.6
300.99811	1.2
415.16046	2.1
418.14673	0.6
429.07883	0.6
447.09183	1.5
567.11438	100.0
567.24048	3.2
568.11823	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	567.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.0
61.98708	0.9
65.00190	2.1
67.01750	0.6
68.99697	0.7
69.36966	2.5
69.37397	3.6
82.95264	1.2
83.01256	1.7
84.99073	0.5
93.03339	7.0
94.43895	0.6
95.01273	3.1
96.95937	1.0
101.02303	1.7
107.01268	4.0
109.02812	0.7
111.00778	1.3
113.02308	1.2
117.03355	0.9
123.00757	2.7
123.04443	1.0
125.02348	7.7
125.08836	0.6
132.02052	1.7
133.02846	1.1
135.00772	1.7
135.04337	1.0
136.98756	0.7
137.02333	8.7
139.00259	2.9
139.03970	0.7
141.01840	0.8
141.86859	0.6
149.02365	0.7
151.00266	5.4
153.01843	0.7
159.04491	0.7
161.02359	1.1
163.00296	3.5
164.01077	0.8
166.99814	1.5
168.00539	1.3
169.01346	13.3
177.01907	4.2
178.99763	0.7
183.04433	1.6
185.02475	0.7
185.06015	1.1
187.03937	1.4
189.01958	0.6
199.04012	1.2
200.04733	0.8
209.00827	1.0
211.03979	2.6
213.01845	0.7
213.05481	1.2
217.04900	0.6
227.03456	47.1
228.03809	4.5
229.05022	5.2
239.03494	1.5
240.04167	1.0
245.00987	0.6
255.02975	83.1
256.03577	13.6
257.04572	4.7
271.04642	0.8
281.06717	0.6
283.02417	1.5
284.03268	100.0
285.03958	35.4
286.04205	2.8
300.99866	3.5
327.05353	0.7
429.08289	0.8
447.09482	1.3
523.21130	1.0
567.11450	86.6
568.11798	14.6
568.19965	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	3.9
58.86474	1.9
59.01254	64.4
60.34322	1.9
61.98705	25.4
69.46216	3.9
69.46622	15.6
71.01253	38.5
72.99184	4.9
73.02825	11.9
83.01265	5.7
85.02830	15.8
87.00766	3.4
89.02309	17.5
95.68958	2.0
96.95911	2.2
99.00752	3.4
100.65873	1.9
101.02316	35.1
106.42580	2.0
107.01267	2.8
109.06512	2.7
111.00770	2.8
113.02344	17.3
119.03394	10.2
125.02346	12.0
135.04318	2.6
138.01851	4.7
143.03380	3.9
151.00238	3.7
154.01378	10.6
161.04451	13.9
168.00542	2.9
169.01294	10.3
179.05557	4.1
185.15402	2.1
193.05034	3.1
211.04044	5.0
227.03447	82.7
228.03802	6.8
255.02971	100.0
256.03516	15.0
284.03278	58.8
285.03949	16.9
323.02008	2.4
343.28656	5.8
366.22992	2.2
373.16650	2.4
462.21268	2.3
505.33853	64.9
506.34158	9.3
565.13556	81.5
565.22772	6.2
566.13806	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	566.318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36374	0.2
57.21340	0.2
59.01251	3.9
61.98703	100.0
71.01251	2.5
71.57942	0.5
73.02827	0.8
78.95791	0.5
83.01255	0.5
85.02836	1.0
89.02331	1.0
91.05400	0.2
96.95879	0.2
99.00740	0.2
101.02312	1.7
111.00757	0.4
113.02337	0.7
119.03409	0.4
121.23550	0.2
123.00727	0.3
125.02349	0.8
135.04440	0.6
153.05450	0.6
161.04489	0.9
169.01387	0.9
179.05603	0.2
209.11819	0.6
211.13342	0.3
229.01488	0.3
297.05002	0.2
299.29575	0.2
301.00015	0.3
319.02646	0.3
324.02158	0.2
352.68152	0.2
371.20822	0.6
505.33844	0.6
506.33920	2.3
507.34531	0.4
522.18073	0.4
567.24731	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95284	2.5
51.51822	2.9
56.63663	2.2
59.01253	39.5
61.98697	8.3
63.15666	2.3
69.34380	22.8
71.01251	32.6
73.02811	16.3
83.01263	6.2
85.02833	15.3
87.00768	2.8
89.02302	4.7
98.19801	4.8
99.00778	4.0
101.02332	30.2
103.20480	2.3
111.00805	3.4
113.02327	12.1
123.61027	2.3
125.02309	2.5
157.12250	3.8
159.02888	3.1
161.04433	12.7
169.01323	4.0
322.73825	2.3
323.01956	3.6
343.28430	7.8
351.04861	3.4
362.90161	2.4
505.33859	100.0
506.34097	11.7
521.18152	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	565.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69563	0.5
59.01251	6.2
61.98685	0.4
69.32619	4.6
71.01257	4.5
71.04886	1.0
83.01285	0.6
83.43698	0.4
85.02824	1.6
87.00778	0.6
89.02322	1.6
89.03838	0.5
95.01286	0.6
100.42844	0.5
101.02341	2.4
107.01265	0.5
107.04909	0.8
109.02869	0.5
110.80240	0.4
113.02322	1.1
117.03358	1.7
119.03468	0.6
120.03702	0.5
123.00777	0.9
125.02325	1.5
132.02068	17.0
133.02914	3.7
134.03641	23.9
134.27211	0.5
135.04494	2.7
137.02330	1.4
139.00262	0.5
139.03885	0.6
139.07536	0.7
149.05997	3.1
151.00264	0.6
153.05492	1.1
155.10686	1.8
160.01575	84.5
161.01962	3.7
169.01315	1.4
175.03926	100.0
176.04311	4.7
177.01863	0.8
177.05481	0.7
178.02638	1.1
179.03424	2.0
182.84958	0.5
183.02925	0.5
193.04988	22.3
194.05321	0.7
194.45906	0.5
221.04680	0.5
227.16501	1.6
235.06004	0.8
251.05424	0.6
270.21982	0.5
315.10764	2.1
337.09464	0.5
353.33987	0.6
403.17697	0.5
403.86978	0.5
417.13864	2.3
565.26599	97.2
566.26898	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	565.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.7
57.03312	1.8
59.01253	14.5
61.98418	0.9
61.98713	11.7
69.62473	3.1
69.62885	1.7
69.82629	0.8
71.01263	7.4
72.99200	1.3
73.02801	1.8
75.00741	0.6
78.95766	0.8
83.01272	1.3
84.53190	0.6
85.02831	3.6
87.00735	1.0
89.02327	3.7
90.64191	0.6
95.04929	0.7
96.95889	1.1
99.04401	0.9
101.02319	4.3
105.03362	1.0
107.01292	1.3
108.02034	0.7
109.02821	2.1
111.00739	0.7
113.02358	3.1
117.03321	1.0
119.03354	1.1
122.63473	0.6
123.00762	1.6
123.04417	4.6
125.02351	4.4
126.02631	0.7
132.02075	22.8
133.02896	3.6
134.03639	26.2
135.04475	3.2
137.02406	1.6
139.07565	1.1
149.05997	3.6
151.00294	1.8
153.01852	5.9
153.05502	6.1
155.07089	0.9
155.10706	1.7
156.28201	0.8
160.01581	95.8
161.01924	6.3
161.04440	1.6
161.09622	0.8
169.01309	4.4
175.03932	100.0
176.04268	6.1
177.01909	1.7
179.03433	1.8
187.11247	1.3
191.07048	0.9
193.05013	21.9
194.05353	1.8
219.92215	0.7
227.16434	1.2
233.90520	0.6
235.06076	0.8
267.12427	1.1
300.99777	0.7
315.10947	2.0
411.16483	1.0
428.33182	0.7
473.28162	0.8
491.28683	2.4
505.34161	1.8
514.93030	0.7
550.24323	1.0
555.77478	0.7
557.67694	0.9
565.26611	95.3
566.27075	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	565.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	0.5
59.01251	9.1
71.01243	3.8
71.37741	0.7
71.38835	0.4
73.02817	1.1
83.01231	0.4
85.02824	1.7
87.00744	0.6
89.02312	1.2
99.00769	0.5
101.02306	1.8
105.03356	0.7
109.02879	0.4
113.02329	1.2
117.03349	0.8
123.00774	0.9
123.04379	0.4
125.02323	1.7
132.02069	14.9
133.02875	4.0
134.03638	14.5
135.04381	0.9
137.02328	1.6
149.06017	2.2
160.01569	67.4
161.01920	3.6
169.01372	2.9
175.03923	75.8
176.04280	3.6
177.01849	0.7
178.02640	0.9
179.03387	2.1
193.04988	12.1
194.05293	0.6
217.05006	0.5
217.10686	0.5
221.04562	0.4
227.12717	0.5
254.99490	0.6
265.07181	0.9
269.97998	2.4
270.98697	0.5
285.00381	2.4
286.01181	0.5
297.97516	8.1
298.98215	1.3
300.99945	0.7
312.99915	16.1
314.00302	2.3
327.98206	0.6
328.02225	18.6
329.02811	4.0
343.04575	37.7
344.04886	4.2
353.02945	0.9
373.22260	0.9
413.14850	0.5
483.18726	1.0
550.24469	0.7
565.26556	100.0
566.26953	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	565.1934
Annotation	Fraxiresinol 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.30122	0.8
55.01749	1.1
57.03315	2.1
59.01252	20.8
61.91487	0.8
61.98711	5.1
67.35291	0.9
68.31843	1.1
69.03320	1.3
71.01257	12.7
72.99153	1.1
73.02801	2.8
75.00727	2.9
81.03309	2.0
83.01243	2.9
83.04906	1.4
83.13703	0.8
85.02831	8.6
85.71457	0.8
87.00725	3.0
88.98646	1.1
89.02303	4.6
92.93731	0.8
93.03329	1.4
95.01247	4.3
96.95911	1.4
97.02795	1.5
99.00740	2.4
99.04369	1.0
101.02322	7.7
107.01257	1.8
107.04868	3.1
108.02055	74.9
109.02852	42.0
113.02330	5.8
114.10876	0.8
114.72939	0.8
119.03391	2.0
120.05659	0.8
121.02841	2.0
123.00763	5.4
123.04353	2.4
125.02310	7.9
131.03363	1.7
135.04379	3.1
137.02310	1.8
138.03073	2.2
139.00244	2.0
145.02821	1.0
151.00206	1.3
151.03893	2.0
152.01060	88.5
153.01855	33.9
153.05478	12.4
154.02126	1.3
155.06918	0.8
160.01491	1.9
161.02286	2.0
161.04475	5.0
161.09668	5.2
161.13237	2.3
163.03873	2.2
163.11208	0.9
165.01852	2.1
165.05309	0.9
166.99731	1.2
168.00435	1.4
169.01358	9.7
175.03836	2.7
179.03372	1.4
179.10674	1.8
181.05020	1.1
187.11267	5.6
189.09073	3.7
201.22574	0.9
205.12267	5.2
207.10117	2.5
211.02399	1.9
223.13191	1.3
249.11240	1.3
250.57382	1.0
267.12219	2.7
271.04453	2.3
299.01791	1.8
300.99765	1.8
315.07239	33.8
315.10663	1.3
316.07489	1.9
373.22214	2.8
403.13101	1.0
403.18295	1.2
411.16489	1.1
502.18985	1.0
503.19305	4.9
505.17331	6.1
505.23947	0.9
519.31409	1.2
521.19922	8.6
522.20490	1.9
547.17786	2.8
565.19025	100.0
566.19379	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	565.193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40535	0.7
57.03309	2.3
59.01253	13.1
61.98689	1.4
62.30001	1.0
65.00201	0.9
68.99673	1.1
69.03305	1.7
69.37846	7.5
69.38183	1.3
71.01256	11.7
72.99193	1.4
73.02797	2.4
75.00751	0.9
78.95785	1.2
81.03326	2.0
82.95288	7.5
83.01248	2.2
83.04872	1.2
85.02826	7.5
87.00761	2.2
89.02306	3.0
89.68519	1.0
93.03320	1.6
94.20071	0.8
95.01265	4.4
96.95863	1.2
97.02817	1.3
99.00742	2.0
101.02322	5.7
107.01269	3.5
107.04902	1.4
108.02058	72.1
109.02854	36.4
111.00713	1.6
113.01617	0.8
113.02321	4.3
117.03359	1.0
120.05668	0.9
121.02843	1.8
123.00781	7.0
123.04430	2.3
125.02341	11.3
129.88797	0.8
133.02762	1.5
134.03682	1.1
135.04430	6.7
137.02310	1.5
138.03131	0.9
139.00284	1.5
140.01009	1.6
140.11450	0.8
145.02826	1.3
149.05942	2.0
151.00356	1.2
151.03888	2.0
152.01062	80.9
153.01852	30.8
153.05515	5.7
161.02316	2.2
161.04457	2.0
161.09608	2.4
161.13327	1.1
163.00333	1.0
163.03880	3.5
163.11197	1.5
165.01804	2.9
165.05461	1.2
166.99730	2.8
168.00499	2.3
169.01347	17.3
171.10138	1.5
175.03938	1.2
177.01781	2.0
179.03442	1.6
181.04985	0.8
187.11235	3.0
189.01825	1.5
189.09180	1.2
191.03311	1.0
192.00620	0.9
197.07951	1.1
201.01678	0.7
201.11252	2.1
205.01372	1.0
205.12314	1.5
206.02107	1.4
229.01326	1.6
245.00839	1.0
253.09384	1.4
265.07181	11.9
271.04645	1.6
273.00320	1.3
275.01840	1.9
299.99042	1.2
300.02353	1.0
300.99829	5.8
301.02878	1.8
315.07251	24.0
316.07458	1.0
327.21649	1.5
328.02209	1.4
328.22391	1.3
329.22943	2.5
343.04578	1.5
357.08176	2.6
401.18073	1.1
402.18387	1.5
403.18442	2.5
422.19431	1.0
452.03143	1.6
503.19037	3.7
504.19495	1.1
505.16953	2.3
506.16705	0.9
521.20245	10.6
522.20782	1.1
547.18152	1.3
565.19214	100.0
566.19531	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	565.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	8.3
60.43755	0.7
67.01772	1.2
71.01256	7.4
71.88673	0.8
72.01594	0.9
73.02814	1.0
74.73631	0.7
75.00740	7.5
79.01753	1.1
81.75422	1.0
87.00739	1.2
89.02312	2.1
93.03368	1.0
95.01272	2.2
96.95885	1.5
97.02817	1.0
98.19779	2.1
99.00771	1.0
101.02321	3.1
107.01277	10.9
109.02824	1.0
111.00753	2.5
113.02285	1.9
123.00769	12.3
125.02342	66.5
126.02686	1.3
132.02029	2.8
133.02846	1.5
134.02798	1.2
134.03639	14.2
135.04369	3.9
137.02336	4.3
139.00281	4.7
139.03920	1.6
140.01056	2.9
140.46527	1.0
141.01810	2.1
149.06006	5.8
151.00285	9.7
160.01590	18.9
161.02350	2.0
165.01894	0.9
166.99799	1.3
168.00583	4.5
169.01350	100.0
170.01686	3.8
175.03934	31.5
176.04332	2.2
178.02643	12.0
178.90381	0.9
179.03409	5.2
183.02945	1.8
193.01369	1.4
193.05006	20.3
194.05263	1.2
211.02411	3.3
227.12947	2.1
229.85950	1.1
241.03461	2.4
244.28378	0.9
287.09186	2.0
287.15094	6.4
300.99808	1.9
313.05658	47.6
314.05927	3.8
369.29355	0.9
403.11383	3.3
445.11084	1.3
449.20236	1.6
478.32401	1.1
489.10336	21.7
490.10645	3.4
507.11429	96.1
508.11664	13.4
540.51599	1.1
565.11914	51.8
566.12323	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	565.0479
Annotation	Udpgal
Peak:m/z	Relative Intensity
60.84395	0.3
62.96257	0.7
71.56268	0.4
71.56641	0.4
73.06932	0.3
78.95779	100.0
87.98390	0.3
96.96842	36.3
111.01893	7.8
117.14670	0.3
120.96833	1.5
131.41431	0.3
138.97917	3.4
150.97919	3.1
158.92451	14.5
162.97964	0.5
163.13716	0.3
164.03461	0.7
174.97974	1.1
176.93555	1.2
192.98967	1.1
194.68120	0.3
211.00067	4.2
241.01152	7.0
246.83156	0.3
259.02493	0.4
262.01294	0.3
272.95685	4.7
280.02338	1.3
305.01785	1.1
320.97849	1.9
323.02853	36.4
324.03082	1.9
384.98541	2.8
402.99689	1.3
434.14053	0.3
559.40393	0.3
565.04736	8.3
565.12915	0.6
566.05017	0.5
569.58899	0.4
583.85394	0.4
594.89709	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.12
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21699	0.7
59.01252	20.7
69.86816	1.6
69.87227	2.7
71.01245	1.7
72.59070	0.7
73.02805	0.8
85.02776	0.6
95.75147	0.6
101.02306	1.6
103.77996	0.8
117.48264	0.8
122.73464	0.8
132.02066	7.7
133.02838	1.4
134.03629	7.1
149.05984	1.1
160.01579	36.0
161.01997	0.6
169.01320	1.0
175.03926	35.6
176.04234	1.0
193.04996	5.3
206.01073	0.7
235.93507	0.7
238.04260	1.2
254.99338	2.5
269.98093	7.9
270.98660	1.1
283.02451	0.8
285.00381	11.8
286.00790	1.0
297.00476	0.9
297.03906	0.7
297.94131	1.5
297.97552	29.4
298.98132	4.0
299.01712	1.0
312.99908	56.8
314.00421	7.2
327.01590	1.2
328.02255	67.4
329.02780	13.3
338.00693	1.4
341.02863	1.5
343.04584	100.0
344.04980	10.2
346.15198	0.7
353.02924	3.0
481.69363	0.7
508.11176	0.9
550.24207	1.0
565.26556	42.1
566.26892	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	563.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	4.3
58.00448	4.2
59.01252	100.0
61.98704	25.5
70.32822	1.8
71.01258	63.9
71.04893	2.8
72.99189	3.4
73.02829	16.4
74.14346	2.0
75.00755	5.8
78.91747	2.7
79.88406	2.4
82.95280	2.4
83.01250	6.8
85.02829	26.3
85.06450	2.1
87.00729	4.6
89.02313	22.2
95.01242	6.5
96.95873	16.4
99.00760	5.9
101.02324	42.0
107.01263	3.3
113.02334	26.3
119.03380	7.3
123.00764	6.0
125.02354	10.9
126.02757	2.3
137.02341	6.2
139.00339	2.3
143.03407	4.6
151.00211	3.3
151.03880	2.3
159.02890	4.1
161.04460	25.8
169.01340	11.0
176.01143	3.3
179.05499	3.3
191.03442	2.8
198.57973	2.6
251.16556	2.7
283.92450	2.4
300.99820	3.5
304.97705	2.1
311.25787	6.0
341.26956	40.7
342.27496	2.4
503.32291	46.6
504.32510	8.3
563.25140	16.3
564.24451	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	563.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01734	0.5
55.92221	0.5
56.75982	0.6
57.03326	1.4
59.01255	12.4
61.98376	0.8
61.98701	16.3
69.26219	5.6
71.01254	7.9
73.02836	1.7
78.95797	0.6
83.01262	1.6
85.02829	2.8
87.00756	0.9
89.02322	8.1
89.03876	1.1
95.01272	0.9
96.95895	0.7
97.02871	0.9
99.00742	1.4
101.02316	5.5
105.03333	0.8
107.01303	0.8
107.02276	0.5
107.04907	1.5
113.02324	2.7
117.03354	2.2
119.03374	1.0
123.00782	1.7
125.02343	5.7
131.03391	2.2
132.02072	22.7
133.02907	3.6
134.03635	29.9
135.04485	1.2
136.01558	1.8
137.02332	1.2
138.06761	2.4
149.04469	2.0
149.05978	4.4
151.03905	1.8
153.09109	4.4
154.09418	0.6
155.07141	0.6
158.03816	0.5
160.01573	99.1
161.01871	5.3
161.04457	1.3
163.03899	0.6
168.00362	0.5
169.01344	5.0
170.61919	0.5
175.03925	100.0
176.04288	5.3
177.01903	0.9
177.05559	0.9
179.03392	1.5
191.05449	0.5
193.04997	32.5
194.05354	2.2
207.06659	0.5
208.99489	8.6
209.99606	0.6
225.14923	2.3
235.05989	1.4
249.11111	0.6
271.04501	0.9
277.07022	0.6
293.08716	1.2
300.99945	1.0
337.09503	0.7
371.20584	1.2
503.24875	0.7
503.32028	1.2
563.24939	90.3
564.25244	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	563.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.6
57.03326	1.2
59.01248	10.9
61.98705	16.3
69.36892	2.3
69.37318	2.1
71.01252	6.6
72.99184	0.5
73.02818	1.7
81.03332	0.5
83.01294	0.7
83.04876	0.6
84.51335	0.5
85.02841	2.7
87.00729	1.1
89.02323	5.0
95.01273	0.9
97.02837	0.6
99.00773	0.8
99.04381	0.6
101.02309	4.3
105.03357	0.8
107.01225	0.6
107.04897	0.9
108.02180	0.5
108.92829	0.5
113.02339	1.7
117.03382	2.9
119.03374	1.0
119.04842	0.6
123.00800	0.8
125.02328	4.0
131.03404	1.0
132.02065	21.9
133.02794	1.9
134.03633	27.3
135.04195	0.8
136.01540	0.7
137.02312	1.2
137.98856	0.5
138.06772	2.2
139.00221	0.7
139.03909	0.7
142.03363	0.5
147.04478	0.6
149.04489	2.1
149.05972	4.4
151.03897	2.0
153.09116	4.6
160.01570	92.3
161.01935	4.3
161.04437	0.8
163.00095	0.5
168.00517	0.5
169.01329	3.7
175.03923	100.0
176.04294	5.2
177.01839	0.8
177.05428	0.7
178.02589	1.3
179.03432	1.8
191.05574	0.8
191.07092	1.1
193.04993	31.5
194.05348	1.6
208.99480	5.8
211.02434	1.0
225.14970	2.8
235.06107	1.2
251.05836	0.6
265.07291	0.6
271.04541	0.6
293.08948	0.8
301.00055	1.0
371.20828	1.0
503.24622	0.6
503.31934	0.5
519.18042	0.6
563.24945	93.8
564.25244	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	563.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41562	1.8
52.18048	1.5
56.64015	1.8
57.03322	4.9
59.01255	38.0
61.98709	19.7
62.80260	1.6
65.75085	1.7
69.03319	2.1
71.01252	27.0
72.99185	2.9
73.02825	5.0
75.00750	2.2
78.95767	2.0
83.01238	5.0
83.04901	5.2
85.02831	9.2
87.00757	3.9
89.02289	9.2
95.01267	4.9
95.04907	2.6
96.95899	9.4
97.02863	11.0
97.06471	1.9
98.19724	2.7
99.00766	2.2
101.02335	15.7
103.58028	1.6
105.06995	2.2
107.01287	2.2
107.04929	9.7
108.05692	9.6
109.02834	4.8
109.06464	3.8
111.04404	11.1
111.08083	2.7
113.02312	6.0
113.05984	10.2
115.03857	2.0
119.03381	2.8
119.08568	3.0
121.06487	4.7
122.03629	9.1
123.00761	11.8
123.04397	3.8
123.08049	10.4
125.02325	15.2
125.05980	12.2
126.71869	1.7
127.00089	1.9
131.03395	2.0
135.04474	2.8
135.08046	3.9
136.01610	8.8
136.05215	12.9
137.02353	3.0
137.05956	6.6
138.06792	13.4
139.07555	35.1
147.07986	2.2
148.05174	4.6
149.05965	4.0
151.00284	4.2
151.03963	10.7
151.07559	67.5
152.04730	10.2
152.08360	27.7
153.09149	13.2
155.07037	8.6
159.11684	1.8
160.01569	5.7
161.02359	2.1
161.04529	3.6
161.09616	6.5
163.07567	12.9
163.11298	2.0
164.08110	2.1
167.07060	5.1
168.00598	3.4
169.01335	19.4
175.03928	8.5
175.11243	4.1
176.01158	2.4
185.09660	1.9
189.09166	5.2
195.06593	6.7
199.07555	2.1
201.12810	21.2
202.13132	2.5
203.10762	12.5
204.11501	45.8
205.11960	2.6
211.02342	2.3
217.92200	1.8
219.02823	3.5
219.13864	74.7
220.14185	5.0
245.11775	7.5
263.12869	100.0
264.13129	7.3
287.12781	3.1
299.99167	2.0
300.99625	2.2
305.13885	3.5
336.81729	1.7
336.93100	1.9
401.08676	6.0
411.16074	2.5
503.32104	7.6
519.18634	6.1
563.21082	21.6
564.24121	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05701	0.7
55.01767	0.9
57.03325	4.2
59.01253	40.2
69.48456	6.1
71.01256	19.2
71.04884	1.0
72.99194	1.8
73.02811	1.7
73.35967	0.7
83.01234	1.8
83.04907	3.4
85.02839	3.4
87.00754	6.0
89.02318	25.4
91.04816	0.7
95.01283	2.1
95.04905	1.0
96.95903	2.4
97.06486	1.6
101.02324	11.7
107.01322	0.9
107.04913	3.7
111.00784	0.9
113.02341	6.4
117.01806	0.7
119.03401	9.0
120.05704	4.1
120.99554	1.0
121.02844	1.0
123.00791	1.0
125.02352	2.2
131.03450	1.8
133.04974	1.2
135.04422	2.6
143.03413	0.9
147.08084	1.5
149.04488	1.3
151.06039	7.8
152.04707	1.1
159.08057	1.0
161.02382	0.9
161.04520	1.4
161.09636	16.2
161.13216	5.5
163.11240	4.2
169.01367	2.8
179.05550	6.8
179.10674	0.9
181.01482	0.8
187.11227	19.1
188.11510	1.1
189.09155	12.9
203.10727	2.6
205.12270	7.7
207.10233	6.7
211.02599	1.0
223.13361	2.5
229.12300	1.2
231.10342	1.5
249.11281	10.6
267.12390	5.9
271.04721	0.8
295.10361	2.1
299.99103	7.1
300.99902	9.1
312.73288	0.9
313.11365	11.0
545.22955	2.6
563.11029	5.7
563.23529	100.0
564.23779	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	563.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.9
57.03330	3.6
58.00465	1.0
58.14091	0.5
59.01254	19.9
67.01746	0.8
68.99672	0.6
69.03305	1.0
71.01256	24.0
71.37097	1.0
72.99186	2.2
73.02821	7.8
75.00757	0.8
76.39627	0.5
81.03348	0.7
83.01244	4.5
85.02823	12.6
85.99989	0.5
87.00752	4.1
89.01816	0.9
89.02323	9.1
93.03329	3.1
95.01269	2.8
96.95882	1.6
97.02840	2.2
99.00755	3.2
101.02325	18.8
107.01273	1.9
109.02831	1.3
111.00762	1.9
113.02327	8.1
115.00188	0.5
116.03416	0.5
119.03403	3.1
119.04977	0.6
123.00761	1.3
123.08028	1.8
123.98679	0.6
124.01569	0.8
125.02331	7.9
129.01787	1.0
130.47321	0.7
131.03381	1.6
137.02377	1.5
139.00261	1.0
143.03404	1.4
151.76326	0.5
154.99753	0.6
159.02931	0.9
159.04405	0.7
160.06557	0.7
161.04485	4.4
163.00247	0.9
165.01880	0.8
166.99744	1.2
169.01349	7.6
173.04494	2.9
175.02452	0.8
175.03906	0.8
177.01929	0.6
177.12779	2.3
178.99794	0.8
188.53232	0.5
188.96019	0.6
190.99864	0.8
195.13768	1.3
209.00842	1.2
221.06596	1.6
221.11723	1.0
245.00967	0.8
275.01962	1.0
300.99838	3.1
542.13293	0.6
563.23431	100.0
564.23779	12.6
569.66895	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02574	0.9
55.01751	1.3
57.03312	3.3
58.00451	1.4
59.01253	39.3
66.51359	1.0
69.31506	9.8
71.01254	21.9
72.99173	1.2
73.02807	3.5
83.01271	1.8
83.04888	3.7
85.02818	3.7
87.00755	6.4
89.02316	21.9
95.01265	2.1
96.95899	2.1
97.06464	1.2
99.29153	1.1
101.02316	10.8
107.01260	2.3
107.04902	2.6
107.94023	1.0
108.02088	1.5
109.06391	1.2
111.04379	1.1
113.02343	6.6
115.03912	1.2
119.03385	9.4
120.05710	3.4
120.72459	1.0
121.02884	1.9
125.02317	2.9
131.03363	1.6
135.04393	2.3
135.08015	1.4
143.03400	1.4
147.08037	1.1
149.04404	1.4
151.00273	5.7
151.06017	6.1
152.04736	1.2
161.02324	2.0
161.04469	2.8
161.09642	13.4
161.13214	4.8
163.00328	1.2
163.11168	3.8
169.01312	2.6
177.12796	1.2
178.99800	1.4
179.05519	5.7
187.11229	13.4
188.11490	1.6
189.09148	10.0
191.05757	1.1
203.10706	2.7
205.12326	8.5
207.10159	4.8
218.21986	1.1
223.13387	2.2
227.03442	1.7
231.10309	2.2
243.02950	5.6
249.11247	9.3
255.02956	13.9
257.13809	1.5
267.12421	5.7
271.02457	24.8
272.02744	1.6
283.02469	1.6
285.04025	3.5
300.02728	37.4
301.00177	2.1
301.03445	18.5
302.03790	1.1
307.11017	1.1
313.11417	15.1
463.09003	2.6
463.81744	1.1
466.07324	1.3
500.17914	1.3
505.10046	3.0
519.11487	2.2
545.13318	2.4
545.21790	1.9
563.14117	23.6
563.23389	100.0
564.14459	3.1
564.23755	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	563.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88282	0.4
55.01744	0.7
57.03319	0.5
59.01253	100.0
60.01603	0.9
61.98719	1.1
66.62288	0.4
69.41934	2.1
69.42360	1.9
71.01267	5.2
73.02834	1.4
75.00784	0.4
79.42947	0.4
83.01266	0.7
85.02835	1.9
89.02354	1.4
95.01257	0.6
96.95932	0.7
99.00773	0.7
101.02324	4.8
113.02338	2.6
121.05125	0.5
122.03515	0.5
123.00764	0.6
125.02356	1.7
140.73494	0.4
152.03488	0.4
159.02983	0.8
161.04535	2.2
168.00618	0.5
169.01329	2.0
327.35092	0.4
401.16119	0.8
425.93207	0.5
431.07184	0.6
472.38519	0.5
503.19431	1.3
503.32199	0.9
563.24963	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.2
57.03321	2.7
59.01255	42.0
61.98709	14.5
62.65317	1.4
67.01759	3.1
69.03317	2.4
71.01257	27.0
71.57474	2.2
72.99185	3.2
73.02814	6.7
75.00726	1.5
79.01761	3.1
81.03328	1.9
83.01275	7.9
83.04945	1.6
85.02831	9.4
87.00749	3.4
89.02320	14.1
93.03354	2.0
95.01267	7.7
95.04903	1.5
96.95895	3.5
97.02842	3.3
99.00755	2.8
99.04370	1.7
101.02339	18.6
102.44320	1.4
104.66555	1.6
107.01279	15.4
107.04883	2.3
109.02856	2.1
111.00787	4.2
113.02322	10.6
119.03390	3.5
119.04899	1.4
123.00764	46.5
123.04485	1.8
123.08076	1.6
125.02343	62.8
125.05976	2.1
132.01991	1.4
134.03610	2.0
136.01537	5.3
136.98647	1.6
138.06749	1.5
139.00273	8.6
140.01045	4.8
141.01840	5.9
143.03358	2.3
145.02922	1.9
151.00276	26.5
151.03909	6.5
151.07523	4.1
152.00566	1.5
152.07042	1.7
153.01828	2.9
160.01593	10.5
161.02255	1.7
161.04462	5.0
161.13289	5.2
162.13489	1.7
165.01817	1.9
166.99785	2.2
167.03436	2.7
168.00549	9.2
169.01344	94.0
170.01685	4.0
172.60153	1.4
175.03931	11.3
180.05843	1.5
181.01331	1.8
187.11247	15.4
193.01363	2.5
193.05029	2.6
195.02960	1.6
204.11472	1.9
205.12251	9.0
207.02977	1.6
207.10062	1.6
211.02463	13.0
215.14308	1.8
219.13837	4.3
229.04994	4.3
229.12294	4.2
247.13469	2.7
249.11282	8.6
253.03397	1.8
255.03130	1.7
257.04547	3.5
263.12930	3.6
285.04056	34.8
286.04303	2.5
313.05597	7.6
331.06741	6.5
331.51041	1.5
351.14334	7.0
391.80008	1.7
401.16107	1.9
411.16476	8.8
459.16483	2.6
485.30530	1.7
503.32098	8.5
519.18677	100.0
520.19135	13.9
545.16406	2.7
563.16595	13.2
563.26233	10.5
563.33368	2.8
564.17523	3.1
564.25598	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	562.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65263	3.0
54.19008	2.9
58.93803	2.7
59.01239	15.7
61.98708	3.7
65.00184	5.9
65.99733	3.0
69.38951	29.0
71.01251	11.5
75.25240	2.6
81.13867	2.7
83.01253	4.0
85.02815	5.2
89.02309	5.7
90.17867	2.7
93.03326	3.6
95.01262	7.2
98.19839	5.5
101.02309	6.3
107.01264	8.1
109.02826	13.7
111.00799	4.5
118.02875	9.9
121.02676	2.8
123.00777	15.2
125.02338	26.3
137.02359	21.3
139.00296	7.2
139.03941	7.0
141.01846	5.0
146.02400	5.2
151.00256	6.7
154.02185	2.8
162.01852	6.7
163.00304	12.2
164.03412	6.9
166.99815	5.4
168.00543	8.5
169.01343	37.8
181.01318	6.0
183.02794	3.2
186.59415	2.7
190.01404	23.5
211.02429	8.3
229.10858	3.1
245.69191	2.7
301.00107	4.0
352.06790	4.6
386.16434	3.1
403.52435	3.1
522.21143	11.6
524.22382	13.9
535.22058	14.5
562.23041	100.0
563.22888	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	563.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.7
59.01249	10.3
63.48083	0.6
63.77789	0.6
65.00201	1.8
69.29711	2.9
69.30130	3.5
71.01254	6.6
73.02824	0.7
83.01253	1.0
85.02829	1.3
87.00759	1.2
89.02319	6.2
93.03345	0.8
96.95866	1.0
101.02304	3.4
107.01276	3.6
107.04907	0.8
108.02057	1.8
109.02841	1.5
113.02331	2.1
119.03387	2.3
119.04892	1.4
121.02847	1.2
123.00748	1.1
125.02328	2.9
131.03339	0.9
135.00742	0.8
135.04393	1.0
139.00256	0.6
143.03291	0.6
147.04488	0.6
148.01543	1.0
151.00285	11.4
151.05984	2.4
152.04616	0.7
155.68561	0.7
159.04407	0.7
161.04486	0.8
161.09628	2.5
161.13295	0.9
163.00253	2.7
163.03853	1.6
163.11307	1.1
164.01123	1.3
168.00546	0.6
169.01355	3.8
178.99782	6.4
179.05580	1.5
183.04399	0.7
187.11186	3.7
189.09122	2.0
193.01389	0.9
198.03226	0.6
199.03925	1.4
203.03400	0.8
205.12311	1.4
207.10107	1.7
211.03995	1.1
226.02673	2.0
227.03468	4.6
243.02985	11.4
244.03577	0.8
245.04509	1.1
249.11319	2.2
254.02205	2.1
255.02971	29.2
256.03342	1.7
262.01105	0.9
263.01910	1.0
267.12442	1.1
271.02469	61.7
272.02924	6.2
273.04059	1.0
283.02499	1.6
284.03043	0.7
285.03949	1.3
299.01941	1.4
300.02740	100.0
301.03427	38.7
302.03827	2.6
311.09485	0.7
313.05804	0.7
313.11459	3.8
343.04199	0.7
371.20789	0.9
445.07755	0.9
447.09326	0.8
463.08942	11.8
464.08859	1.4
477.10562	3.0
478.09802	0.8
505.09866	18.6
506.10251	1.8
519.11530	1.1
545.13226	3.6
546.13049	0.9
553.84998	0.6
563.14026	53.2
563.23352	22.6
564.14313	8.3
564.23499	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00476	0.5
59.01253	100.0
60.01587	1.0
66.86131	0.5
71.01253	14.3
71.57531	0.7
72.01600	0.5
72.99180	0.9
73.02837	1.7
75.00741	0.5
79.95595	0.6
83.01254	0.8
85.02821	2.7
87.00775	0.6
89.02319	17.7
93.03376	0.5
96.95893	16.3
97.02863	0.5
99.00777	1.3
101.02324	8.5
101.74010	0.4
103.41352	0.4
107.01305	0.5
108.01950	0.5
111.04422	0.5
113.02322	3.3
119.03394	2.7
121.21158	0.4
123.00786	0.8
125.02352	2.6
129.01883	0.7
131.03401	9.4
139.03954	0.6
143.03416	0.8
149.04465	10.9
151.00345	0.7
155.06975	0.6
161.04509	2.0
166.99747	0.8
169.01341	2.4
176.68280	0.4
177.01865	0.5
179.05576	1.2
182.27391	0.4
191.05563	5.6
222.59509	0.4
232.89229	0.4
275.02026	0.5
301.00037	1.0
301.03357	0.6
448.96124	0.5
460.35574	0.4
489.15811	0.4
499.18430	0.6
499.56253	0.5
501.30673	3.1
561.21777	0.7
561.32733	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81993	0.8
55.01755	1.3
57.03304	1.0
57.12576	0.8
58.00461	4.4
59.01251	100.0
60.01589	0.8
60.99205	0.9
62.65965	0.8
63.06677	0.9
66.94373	0.8
69.03313	0.9
69.78111	5.7
71.01254	60.3
72.66422	0.9
72.99184	5.9
73.02821	6.3
77.24266	1.0
80.00040	0.8
83.01268	3.2
85.02824	7.4
87.00755	2.4
87.04377	0.8
89.02316	96.4
90.02655	1.6
95.01264	1.1
96.20033	0.8
96.30501	0.9
96.95889	16.4
96.96809	1.1
97.02840	0.9
98.20440	1.6
99.00768	5.5
101.02325	44.7
102.02670	1.0
107.47439	0.9
108.93390	0.8
111.00764	1.6
113.02328	10.3
119.03377	6.4
123.00773	1.8
125.02321	5.6
126.90277	1.6
127.82401	0.9
129.01830	3.1
131.03398	62.5
132.03745	1.2
139.00256	1.6
139.03920	2.1
143.03406	1.8
149.04462	73.8
150.03053	1.2
150.04849	2.0
151.00276	1.1
155.07053	1.0
159.87500	0.9
161.04428	1.6
165.05418	1.2
166.99689	1.1
169.01369	5.3
173.04474	2.1
175.02457	0.9
175.03909	1.5
177.01797	0.9
183.02945	1.7
191.05548	41.5
217.01521	1.0
221.06583	3.3
223.13379	1.4
251.07736	2.3
283.11469	1.0
299.99069	1.4
300.99841	3.2
301.03207	1.1
302.00378	1.0
311.09952	1.0
405.90805	1.0
432.37723	1.1
478.81821	0.9
538.78595	1.0
561.12433	1.6
561.21509	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77781	1.3
57.03320	2.7
58.00461	5.2
59.01250	100.0
68.97034	1.3
69.32474	2.3
69.32872	13.2
71.01255	61.3
72.99190	3.6
73.02820	9.9
75.00745	2.1
83.01256	4.3
85.02810	11.2
87.00750	3.8
87.23873	1.2
89.02319	90.4
95.01245	2.0
96.41473	1.3
96.95893	5.1
99.00749	5.4
101.02323	40.6
106.95176	1.4
111.00792	1.9
113.02328	9.5
118.69450	1.5
119.03422	6.3
125.02333	4.9
129.01805	3.9
131.03397	59.3
132.03696	2.1
133.02838	3.0
135.04419	19.3
143.03349	1.4
149.04460	76.6
150.04797	2.0
153.01910	2.0
161.02348	14.5
161.04483	1.8
161.09584	2.2
166.99600	1.3
169.01302	4.4
173.04495	1.4
179.03424	2.7
181.04900	1.7
187.11198	2.6
189.09166	2.6
191.05545	36.5
221.06654	3.5
223.13293	3.8
251.07587	3.2
267.12323	5.2
300.99982	3.1
301.03348	1.5
323.07767	3.2
331.16211	1.3
341.09015	1.2
369.15536	5.2
429.17575	3.4
471.18933	1.9
483.18652	6.3
485.10986	6.0
501.19278	1.6
561.12671	3.1
561.21436	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	561.2345
Annotation	(2'S,3'R,4'S,7'R,9R,10S)-7'-Deoxo-2'-deoxy-2',3':9,10-diepoxy-9,10-dihydro-4'-hydroxy-7'-[(1R)-1-hydroxyethyl]verrucarin A
Peak:m/z	Relative Intensity
58.00462	1.0
59.01257	24.5
61.98708	5.4
68.17124	0.9
69.45513	8.5
71.01256	13.4
72.99181	1.1
73.02825	3.4
75.59592	0.9
83.01270	2.2
83.04899	1.1
85.02813	4.8
87.00732	1.8
89.02326	8.3
89.03828	1.2
95.01279	1.6
96.95875	1.7
98.19777	1.2
99.00764	1.0
101.02325	8.7
109.02823	1.1
113.02333	5.4
117.03339	2.5
119.03397	2.1
123.00777	1.5
123.04395	1.7
125.02328	4.0
131.03389	1.6
132.02075	21.7
133.02852	4.3
134.03642	40.6
135.04230	1.5
136.01492	1.3
137.02325	1.2
138.06714	1.2
147.04367	1.3
149.02388	1.4
149.04344	1.4
149.05981	7.0
152.08369	1.4
153.09081	3.8
160.01575	91.4
161.02055	5.1
161.04500	2.7
169.01318	4.0
173.06044	1.4
175.03929	100.0
176.04593	7.3
177.01855	1.6
177.05354	0.9
178.02643	2.7
179.03416	1.5
191.07071	9.3
192.07315	1.4
193.04994	48.6
194.05342	3.0
205.12300	4.7
206.99738	11.2
207.06573	2.8
217.04944	1.8
229.35655	0.9
233.04787	1.0
235.06075	27.1
235.46736	0.9
236.06351	2.5
265.07126	11.1
266.07532	1.1
293.59854	0.9
295.08228	13.6
296.08691	1.5
299.99115	7.8
300.99905	4.9
337.09406	4.3
355.10403	1.9
500.28854	1.5
501.30356	9.8
529.02411	2.5
561.12927	3.4
561.23407	92.4
562.23663	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	561.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.9
57.03338	1.3
58.00460	1.6
59.01252	44.0
61.98704	4.0
69.35832	8.3
71.01253	23.0
72.99183	3.4
73.02814	3.9
81.03341	1.0
83.01264	1.9
83.04898	3.9
85.02808	6.0
87.00771	2.2
89.02312	18.1
95.01286	1.6
96.95906	2.2
98.19833	1.5
99.00770	2.5
101.02324	13.6
107.01250	1.1
108.02056	1.0
109.02825	1.0
111.00814	1.0
113.02339	9.9
116.96054	0.7
117.03378	2.4
119.03401	7.7
119.04839	1.1
119.96576	0.7
121.02818	1.8
121.06449	0.9
123.00759	1.6
125.02348	3.2
131.03448	1.2
132.02081	11.4
133.02888	5.7
134.03636	50.0
135.04378	3.5
136.01559	1.9
137.02341	2.6
139.00316	1.1
143.03415	2.2
147.04405	6.4
148.05203	4.2
149.05997	12.2
151.00294	1.6
151.03952	0.9
153.05479	1.3
158.03662	2.0
160.01575	55.4
161.02077	2.9
161.04462	3.2
163.03996	0.9
163.07446	1.2
168.00569	1.0
169.01273	5.4
173.06006	4.3
174.03131	1.0
175.03926	49.1
176.04709	24.5
177.01817	4.8
177.05286	1.3
178.02667	8.8
179.03400	1.6
179.05582	2.0
179.08394	0.8
191.07074	32.9
192.04262	2.6
192.07431	1.6
193.04994	67.9
194.05333	3.2
202.02673	1.2
202.53082	0.8
207.06602	11.3
211.02422	1.1
217.05019	2.4
220.03728	4.4
227.03448	1.4
235.06082	100.0
236.06384	5.5
255.02965	2.0
265.07162	44.1
266.07520	3.2
271.02386	1.1
284.03421	1.9
285.04184	1.6
295.08231	58.4
296.08618	2.6
299.99268	1.7
300.02872	2.6
300.99817	2.3
301.03360	1.2
355.10364	10.5
356.10522	1.3
369.18906	1.7
399.23837	2.4
455.18790	1.0
463.09143	1.9
501.30765	3.9
561.29437	15.7
562.29675	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	561.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.7
59.01252	31.7
60.01579	1.1
61.98705	39.7
62.72549	0.8
68.45159	0.9
71.01257	13.6
71.57663	1.1
72.99173	1.7
73.02819	3.9
76.77898	1.1
83.01250	2.6
85.02824	5.1
85.88345	0.8
87.00771	1.8
89.02322	7.6
95.01260	2.2
96.95872	3.2
99.00791	2.1
99.04384	1.0
101.02328	10.3
107.01275	1.3
111.00754	1.5
113.02335	5.3
119.03388	4.2
120.01326	0.8
123.00735	3.4
123.04393	1.3
125.02335	6.3
132.02074	28.6
133.02913	5.3
134.03638	16.0
135.04353	1.8
137.02298	2.6
139.00224	1.4
139.03845	1.1
149.05984	3.4
159.02881	1.1
160.01573	97.9
161.01903	4.5
161.04453	5.1
166.99831	1.3
168.00520	2.3
169.01375	8.0
171.10240	4.4
175.03925	100.0
176.04265	6.7
177.01846	1.3
177.05455	1.1
178.02588	2.5
179.03296	1.9
179.05531	1.1
191.03506	1.0
191.07071	1.1
193.04993	18.4
194.05353	1.9
207.06511	3.1
207.08234	1.2
209.08208	0.9
223.09700	1.8
227.12842	1.9
241.95996	1.0
246.96352	0.9
255.02946	1.0
255.04224	1.0
255.06583	8.0
289.43689	1.1
299.99103	1.7
300.02695	1.0
300.99738	2.6
337.09232	2.8
339.25345	1.4
382.06485	1.0
474.49411	1.1
499.21429	1.7
501.30756	4.8
506.49078	1.0
525.23334	0.9
546.17267	1.4
561.13208	2.7
561.19690	54.5
562.20074	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	561.0538
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32465	0.1
59.01245	1.4
67.29418	0.1
67.96920	0.1
68.47534	0.1
71.01251	0.5
78.53826	0.2
79.95612	2.6
83.04885	0.2
85.02841	0.3
89.02338	0.2
95.01278	0.2
96.95893	100.0
97.95824	0.4
101.02329	0.3
101.03918	0.2
107.01273	0.3
109.02821	0.3
111.08065	1.0
113.02301	0.4
121.02821	0.2
123.00774	0.6
124.01556	0.2
125.02309	0.9
139.00270	0.4
151.00272	0.4
161.04501	0.2
166.99733	0.3
168.00607	0.2
169.01308	0.8
173.08124	0.8
177.01874	0.2
178.99789	0.2
191.03519	0.2
199.88910	0.2
255.02966	0.3
271.02423	0.7
283.11911	0.2
299.02078	0.2
300.02689	0.7
300.99954	0.3
301.03336	0.4
315.01590	0.2
337.40552	0.1
399.12726	0.3
406.57928	0.2
409.17078	0.5
452.85867	0.2
463.08685	0.7
531.04773	0.2
554.15179	0.2
561.11096	0.2
561.18347	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	559.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	20.4
59.81238	0.8
60.23942	0.9
61.21621	0.8
61.98698	2.7
71.01252	4.1
71.57315	1.5
73.02805	1.6
78.95766	1.9
87.28349	0.9
89.02334	3.1
94.70836	1.0
101.02337	3.1
113.02283	2.3
119.03366	1.4
161.04483	2.4
196.38254	0.9
227.12666	0.9
235.08113	2.7
253.09312	13.9
263.20163	100.0
264.20450	8.3
277.21860	1.4
474.25967	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83794	1.3
55.01750	4.5
55.03441	1.3
56.35323	1.3
57.03320	5.8
59.01252	95.2
60.01574	1.9
61.98701	11.4
69.03325	2.4
69.31557	10.3
69.31962	4.3
71.01257	45.1
72.99189	1.4
73.02818	16.1
75.00742	2.3
83.01249	8.4
85.02821	21.0
87.00767	5.8
89.02325	9.1
95.01291	3.7
96.95869	4.5
97.02837	2.4
99.00763	6.7
101.02326	39.4
107.01271	3.3
111.00751	1.8
113.02343	18.1
119.03429	2.3
122.52950	1.4
123.00778	7.9
125.02351	13.6
143.03395	2.3
151.00299	3.9
159.02895	3.8
159.04276	1.4
161.04477	20.5
164.34937	1.5
164.51927	1.4
165.05409	1.6
168.00542	1.7
169.01349	19.9
169.15785	1.3
175.03896	2.5
185.38864	1.3
300.02307	1.6
300.99960	4.4
319.22797	2.7
337.20361	1.6
337.23901	8.1
338.24060	1.6
381.22824	2.3
499.29138	100.0
500.29620	15.4
559.27924	24.0
560.27087	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	559.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	2.5
57.03324	7.2
57.47647	1.2
58.00452	1.9
59.01251	100.0
60.01598	2.1
69.03310	1.9
69.28622	3.7
69.29031	10.8
71.01257	31.2
71.04885	2.5
72.99179	1.2
73.02831	8.0
74.10783	1.3
83.01270	5.5
83.04906	3.8
85.02821	10.1
87.00752	11.7
89.02321	19.7
95.01270	3.4
96.95917	2.7
97.02818	3.3
97.06495	1.5
99.00748	15.0
99.04423	3.1
101.02324	20.8
107.01247	3.3
107.04906	5.5
111.00801	1.5
111.04415	1.6
113.02325	13.1
119.03387	10.8
120.05752	2.7
121.02866	7.8
123.00766	3.3
125.02341	14.5
129.05461	1.9
129.07123	1.3
135.04411	2.0
139.00304	2.3
143.03426	1.5
145.10187	1.8
147.06541	4.1
159.02939	1.3
161.04469	7.8
161.09615	19.4
161.13268	8.5
163.11192	5.0
166.99768	3.7
167.53751	1.3
168.00449	1.5
169.01334	16.4
179.05550	5.9
185.13297	3.2
187.11229	30.7
189.07607	2.1
189.09164	13.7
203.10657	5.1
205.12260	12.0
207.10220	7.2
209.11781	1.8
217.01187	1.4
223.13376	28.8
229.12376	2.3
231.10291	2.9
249.11325	14.7
267.12387	30.8
268.12704	2.4
291.12305	2.5
295.84778	1.6
299.99072	1.8
300.99982	8.1
302.00162	2.1
309.08444	2.4
309.12167	10.2
309.37521	1.4
339.14444	4.8
369.15445	26.7
370.15778	1.8
415.12796	3.2
425.92023	1.5
429.17590	18.9
430.18112	2.5
484.11249	1.9
499.29227	19.8
559.19830	64.7
560.20483	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	559.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	6.9
59.01253	100.0
61.98705	10.3
65.05811	3.1
69.03326	7.5
69.40797	6.5
69.41190	30.1
70.89648	2.9
71.01256	46.0
72.99190	6.0
73.02070	2.8
73.02826	11.0
75.00761	10.2
79.01767	4.0
83.01260	8.8
85.02831	18.2
87.00761	23.5
89.02319	23.0
95.01270	9.2
96.95883	6.7
97.02811	6.0
99.00789	3.5
101.02342	27.9
107.01282	15.1
109.02883	3.8
111.00774	5.4
113.02322	19.0
119.03413	8.5
123.00771	24.8
125.02345	73.1
126.02685	16.1
127.02770	3.9
129.05490	4.6
129.10574	3.0
139.00275	13.1
140.01031	6.6
141.01807	6.1
150.99265	3.2
151.00237	17.3
153.01801	3.6
161.04472	7.6
166.99713	4.2
168.00522	6.5
169.01332	72.0
170.01752	15.6
171.01799	11.3
176.01314	3.3
187.11235	4.0
192.07967	3.3
227.03497	10.0
249.11302	3.5
255.02963	10.6
284.03180	4.5
300.99960	7.7
309.11908	21.8
313.05554	6.5
314.06100	5.5
315.06012	7.4
332.29434	4.0
471.33582	3.6
499.22668	4.7
499.28802	22.8
547.32452	3.8
559.13654	82.3
559.24310	43.7
560.13965	13.0
560.23413	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	558.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.8
57.03307	2.6
58.00454	2.3
59.01249	33.1
61.66983	0.6
61.98700	3.4
71.01254	23.2
72.99177	2.3
73.02817	2.5
75.00726	0.8
83.01273	2.2
85.02824	6.1
85.18587	0.6
87.00748	1.4
89.02316	18.5
95.01254	1.8
96.95879	1.2
97.02800	0.9
97.06425	0.6
98.20545	1.4
99.00735	1.3
101.01693	1.1
101.02319	13.5
110.53621	0.7
111.08038	1.3
113.02322	9.6
119.03399	6.3
123.00739	0.7
125.02334	1.7
131.03458	0.7
139.11183	26.2
140.11499	0.9
143.03459	0.7
149.04410	0.7
150.91730	0.5
151.11227	0.8
152.20844	0.6
161.04393	1.0
169.01294	1.0
179.05487	1.0
183.10176	7.1
190.72601	0.6
194.15451	1.0
201.11253	8.8
201.13014	1.0
205.15898	1.3
226.14432	4.5
237.18556	4.1
238.18858	0.6
244.15518	21.1
245.15895	1.3
281.17603	2.8
315.80191	0.7
378.26453	1.1
388.19678	1.8
396.27383	0.8
406.20773	21.7
407.21088	1.6
460.25366	2.4
540.31787	1.7
558.32794	100.0
559.24792	1.0
559.33160	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	559.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13547	0.7
55.66945	0.8
57.03311	0.8
58.00449	1.2
59.01252	19.4
69.03321	0.8
69.48313	5.6
71.01257	14.4
72.99170	1.3
83.01250	1.1
85.02823	2.6
86.31741	0.7
89.02315	11.8
94.55351	0.7
95.01237	1.8
98.20557	0.9
101.02329	9.4
104.76891	0.8
107.01267	2.7
113.02347	3.9
115.27703	0.7
119.03408	4.3
121.08745	0.7
123.00780	6.9
124.01549	0.9
125.02337	17.1
139.00259	1.7
140.01070	1.7
141.01884	1.0
151.00258	3.0
151.03961	0.8
154.48340	0.7
165.12813	5.5
166.99654	0.9
168.00548	4.3
169.01344	24.8
169.02785	1.3
170.01579	1.0
173.20490	0.7
176.42941	0.8
183.13858	8.3
184.14185	1.0
191.03143	0.7
201.05203	0.8
209.11801	3.1
211.02428	19.2
211.04388	1.4
212.02823	1.2
227.12849	28.7
228.13165	2.0
245.13876	3.1
247.02251	0.9
271.01895	1.5
271.04623	21.1
272.04861	1.4
300.99869	3.0
312.04367	0.8
313.05771	0.9
331.06674	2.2
407.10037	2.0
407.19211	19.5
408.19547	1.8
482.72018	0.9
485.52768	0.8
541.18951	1.2
559.20313	100.0
560.20618	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	557.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68053	0.3
55.01758	0.5
58.00466	1.5
59.01253	100.0
59.26222	0.4
60.01588	0.8
65.00228	0.4
69.23882	4.3
69.24308	0.7
71.01255	20.4
72.99192	1.6
73.02831	1.4
76.94147	0.5
83.01262	1.2
83.04890	0.8
85.02828	3.9
87.00755	2.1
89.02321	30.1
93.03385	0.5
95.01306	1.6
97.02849	0.9
98.19756	0.8
99.00768	0.5
101.02325	12.9
102.02702	0.5
107.01305	1.9
111.00775	0.9
113.02342	10.3
119.03390	13.8
123.00796	1.4
125.02346	5.0
131.03416	1.5
137.36749	0.4
139.00343	0.9
143.03409	2.6
149.04503	1.6
151.00276	2.3
152.22139	0.4
161.04469	3.0
163.00410	0.5
166.99854	1.0
168.00522	0.6
169.01326	5.6
178.99799	1.6
179.05510	4.6
203.03603	0.5
217.05005	0.7
243.02852	0.5
245.04579	0.8
255.03098	0.8
271.02527	1.4
273.04044	6.7
274.04498	0.7
299.01932	0.8
300.02710	2.5
300.99985	1.9
301.03604	1.8
407.24481	0.6
415.06851	0.6
422.70505	0.5
461.25595	0.5
479.26489	3.9
480.26968	0.6
497.27472	0.8
499.18283	0.7
557.09576	1.2
557.22534	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	557.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40571	0.5
55.01631	0.6
55.01851	0.8
58.00574	0.5
59.01060	9.3
59.01399	14.4
61.98491	3.1
61.98856	5.1
69.03115	0.5
69.03449	0.9
69.45682	0.5
71.00975	3.0
71.01421	6.2
71.58131	0.6
72.99309	0.7
73.02553	1.0
73.02987	1.6
83.00976	1.0
83.01430	1.4
85.02460	1.0
85.03018	3.8
85.06590	0.7
87.00913	1.1
89.01913	1.0
89.02515	4.2
95.01472	2.0
96.95489	0.5
96.96063	1.4
97.02975	0.8
99.00303	1.1
99.00959	1.9
101.01801	1.1
101.02531	6.2
107.01482	3.1
108.02205	1.1
109.03029	0.6
111.00924	0.9
113.02540	3.9
119.03596	2.5
123.00007	0.7
123.00980	7.0
124.01780	0.6
125.01569	1.6
125.02553	13.5
125.20962	0.5
126.02852	0.6
131.03470	0.6
136.98866	0.8
139.00504	2.5
140.01253	1.5
141.01982	0.9
143.03575	0.6
151.00285	3.7
152.01274	1.5
153.02046	0.5
155.14534	1.8
161.04674	1.6
161.09756	0.7
168.00586	3.5
169.01343	16.9
170.01794	0.9
173.11826	1.0
181.16084	0.8
183.37929	0.7
193.98434	2.7
194.99348	0.8
199.13347	5.9
205.12469	0.7
211.02368	2.7
213.67415	0.5
221.15672	0.5
225.15074	1.8
232.79790	0.5
271.04596	2.3
297.06406	0.8
300.06638	0.6
305.21124	2.4
313.05707	2.1
335.22266	100.0
336.22601	12.4
364.02481	0.5
364.21002	0.5
377.23508	1.0
380.39304	0.6
405.16013	0.7
405.21268	12.7
406.21576	1.1
412.76477	0.5
422.08377	0.9
449.07315	3.2
466.07813	3.4
497.27112	1.0
525.10065	0.6
539.20569	1.2
557.12585	6.8
557.21838	42.4
558.12988	1.8
558.22211	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	557.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68053	0.3
55.01758	0.5
58.00466	1.5
59.01253	100.0
59.26222	0.4
60.01588	0.8
65.00228	0.4
69.23882	4.3
69.24308	0.7
71.01255	20.4
72.99192	1.6
73.02831	1.4
76.94147	0.5
83.01262	1.2
83.04890	0.8
85.02828	3.9
87.00755	2.1
89.02321	30.1
93.03385	0.5
95.01306	1.6
97.02849	0.9
98.19756	0.8
99.00768	0.5
101.02325	12.9
102.02702	0.5
107.01305	1.9
111.00775	0.9
113.02342	10.3
119.03390	13.8
123.00796	1.4
125.02346	5.0
131.03416	1.5
137.36749	0.4
139.00343	0.9
143.03409	2.6
149.04503	1.6
151.00276	2.3
152.22139	0.4
161.04469	3.0
163.00410	0.5
166.99854	1.0
168.00522	0.6
169.01326	5.6
178.99799	1.6
179.05510	4.6
203.03603	0.5
217.05005	0.7
243.02852	0.5
245.04579	0.8
255.03098	0.8
271.02527	1.4
273.04044	6.7
274.04498	0.7
299.01932	0.8
300.02710	2.5
300.99985	1.9
301.03604	1.8
407.24481	0.6
415.06851	0.6
422.70505	0.5
461.25595	0.5
479.26489	3.9
480.26968	0.6
497.27472	0.8
499.18283	0.7
557.09576	1.2
557.22534	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	557.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.7
59.01251	45.0
60.01566	0.8
61.98713	3.6
67.01766	0.4
69.03313	0.7
69.39262	4.3
71.01256	6.4
72.99178	0.8
73.02816	0.8
75.00744	0.7
75.70396	0.5
77.77220	0.5
83.01268	1.0
83.04866	0.5
85.02812	1.9
87.00730	1.1
89.02308	3.5
95.01264	1.6
96.95879	1.4
98.09914	0.5
98.19823	1.1
101.02331	4.3
105.29115	0.5
107.01244	2.5
109.02837	1.1
111.00761	0.9
111.08014	0.5
113.02309	2.0
119.03385	1.7
120.99416	0.5
123.00751	4.3
124.62302	0.5
125.02326	9.0
126.02709	0.7
135.00790	1.3
139.00264	1.8
140.01048	1.2
141.01782	0.6
145.02869	0.7
151.00232	2.3
153.01833	2.1
155.07011	1.0
161.02335	0.8
161.04468	1.4
163.00249	0.8
165.05394	1.1
165.09044	0.5
166.99731	0.8
167.07057	1.2
168.00534	2.0
169.01338	11.5
170.01636	0.7
172.08617	0.6
177.01862	0.7
178.66827	0.6
190.50668	0.4
211.02420	1.1
212.70607	0.4
239.12875	0.7
269.00827	0.7
271.04556	1.8
273.00510	0.6
275.01871	0.6
300.99841	2.9
313.05548	1.3
335.22253	100.0
336.22583	10.9
449.07135	2.0
497.27301	3.0
502.01935	0.6
503.10406	0.5
519.31757	0.9
521.33466	2.3
522.33368	0.5
557.12714	0.9
557.25580	13.9
558.26093	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	557.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.9
57.03310	2.1
58.00476	0.9
59.01253	100.0
60.01599	1.2
61.98707	2.1
67.01754	0.7
71.01256	23.5
71.04868	0.4
71.58498	0.4
72.01614	0.5
72.11906	0.4
72.99189	1.5
73.02823	5.4
75.00758	1.0
81.03365	0.6
83.01255	3.2
83.04903	1.5
84.02039	0.4
84.90382	0.4
85.02828	9.7
87.00769	3.1
87.04405	1.0
89.02319	16.9
90.47829	0.4
93.01049	0.4
93.03335	0.8
95.01273	3.1
95.04900	0.7
96.95908	1.3
97.02831	2.1
97.06476	1.0
99.00778	1.9
101.02328	18.0
102.02682	0.5
107.01254	1.9
107.04921	0.4
108.02113	0.5
109.02826	1.1
109.06487	1.3
111.00748	0.9
111.04394	0.5
113.02337	9.5
113.03066	0.8
113.05957	0.5
119.03391	7.4
119.04239	0.5
121.02853	0.9
121.06377	0.4
122.03671	1.0
123.00768	2.6
123.04399	0.6
124.01585	0.7
125.02345	8.4
127.00319	0.4
127.03926	0.9
129.01857	0.4
131.03401	0.5
135.04424	0.5
137.02368	0.8
137.09625	0.5
137.86925	0.4
139.00291	1.8
143.03391	2.0
145.02892	0.5
149.02319	2.9
149.04477	0.6
150.03145	6.6
151.00301	1.7
151.03749	0.7
155.07062	0.7
159.02924	1.7
161.04454	11.0
161.09705	1.5
161.13312	0.7
162.04752	0.5
163.00246	0.8
163.03963	0.7
165.05490	9.0
166.05840	1.4
166.99799	1.1
167.10728	0.5
168.00635	0.8
169.01350	8.3
170.01707	0.5
171.06613	0.4
175.00339	0.9
179.05556	4.7
179.06996	0.6
180.04245	0.8
187.11224	1.4
189.01949	0.7
195.06564	5.1
196.07005	0.8
201.02065	0.6
203.03426	0.6
207.10255	1.0
207.13905	0.6
211.02411	0.8
223.13306	0.6
225.05365	0.4
227.12933	1.5
246.07607	0.7
247.02481	0.5
249.11230	0.7
253.05016	0.5
255.03099	1.1
267.12369	0.9
269.13843	0.5
270.01953	0.5
271.02316	0.9
271.04877	0.8
275.01883	0.5
283.02512	1.4
285.04114	0.9
287.15045	0.9
297.04132	0.9
300.02899	1.1
300.99951	2.0
301.03452	1.1
302.03784	0.6
305.21356	1.3
307.10382	1.4
312.02954	0.7
313.03503	0.7
313.07019	0.6
317.21243	0.8
325.03470	2.7
331.11731	1.0
335.22250	3.7
338.04556	0.6
339.05286	0.6
343.11783	1.0
369.19366	0.9
395.10129	7.4
396.11005	4.2
405.21533	1.8
407.24490	1.4
479.19577	0.8
479.26086	0.6
497.27567	26.9
498.27951	4.7
509.20914	5.0
521.33795	0.5
539.21460	1.0
557.09930	0.6
557.12622	0.8
557.21979	11.4
558.16083	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	557.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.3
58.00461	2.9
59.01253	100.0
60.01591	1.9
61.98704	12.5
69.03346	1.8
69.53535	10.3
71.01256	30.8
72.99186	3.4
73.02816	15.8
75.00756	2.8
83.01257	2.9
83.04920	1.5
85.02820	8.8
87.00751	8.0
87.04378	1.5
88.98682	1.5
89.02320	22.4
95.01257	3.9
95.75974	1.1
96.95912	3.4
97.02814	1.9
98.20563	1.1
101.02324	32.9
103.03885	7.7
107.01280	6.0
111.00738	2.8
113.02331	6.6
115.03904	2.3
119.03397	7.7
121.02841	5.0
123.00768	12.3
125.02351	25.5
127.00290	1.6
130.09103	1.2
130.36880	1.4
131.03374	4.4
136.98723	1.9
137.02374	1.5
139.00298	4.1
140.01044	4.4
141.01740	1.1
143.03406	6.6
145.04991	3.3
151.00317	8.4
153.01825	1.5
161.04443	1.6
163.06033	37.4
167.07028	2.7
168.00548	7.2
169.01344	28.2
170.01718	2.3
185.08122	1.5
199.13353	3.7
205.07120	12.6
211.02385	9.6
265.09235	2.6
271.04605	12.7
300.99976	1.7
313.05759	5.6
335.22229	19.1
336.22751	1.9
392.56412	1.6
405.21310	7.1
435.09097	2.5
513.20154	1.7
521.33112	2.0
539.25513	2.2
557.21735	52.4
558.22144	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	557.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.7
57.03332	0.9
58.00460	0.9
59.01253	19.0
61.98700	2.1
65.00190	0.6
65.04598	0.4
65.80773	0.4
67.01752	0.6
69.03305	1.3
69.30687	5.2
71.01254	14.0
72.99174	1.3
73.02826	3.1
75.00724	0.6
75.55419	0.4
79.01762	1.4
83.01254	2.9
85.02820	5.4
85.06474	1.8
87.00731	1.1
89.02313	9.0
95.01273	2.3
97.02815	0.9
97.06443	0.6
98.19814	0.7
99.00745	3.5
101.02323	11.6
107.01270	4.3
111.00787	2.3
113.02332	6.2
117.70333	0.6
119.03403	3.8
123.00771	11.4
124.01567	1.3
125.02335	19.1
126.02657	0.5
127.00262	1.2
136.98726	1.1
139.00284	3.3
140.01077	2.9
141.01833	1.3
148.09656	0.5
151.00272	5.9
153.01907	0.5
155.14345	4.5
161.09665	0.5
166.99846	0.5
168.00555	3.4
169.01332	22.7
170.01683	0.7
173.11615	0.5
179.03488	0.5
181.12233	0.7
181.15942	2.5
193.98532	0.8
199.13336	15.6
200.13634	0.7
211.02377	3.3
225.14914	3.7
263.53052	0.5
271.04617	3.2
305.21393	0.7
313.05563	1.4
335.22256	11.6
336.22388	1.2
387.99680	0.5
405.21313	24.1
406.21567	2.8
449.07108	1.0
466.07697	1.1
539.21362	2.2
557.22327	100.0
558.22614	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	557.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68895	0.6
55.01754	0.8
57.03327	2.0
58.00482	3.1
59.01252	100.0
60.01593	1.4
61.98705	19.1
67.01753	1.2
68.99692	1.3
69.03310	1.3
70.00727	0.6
71.01256	35.0
71.04890	1.2
71.58279	0.9
72.99184	5.4
73.02821	18.9
75.00748	1.7
79.95622	1.0
83.01250	2.6
83.04887	0.9
85.02824	13.6
85.99944	0.8
87.00752	11.2
87.04372	2.3
88.98692	0.6
89.02320	25.8
95.01245	1.8
95.95084	0.8
96.95902	8.0
97.02814	1.9
98.19839	0.7
99.00722	0.6
99.04362	0.7
101.02325	41.5
103.03893	14.6
107.01253	2.8
108.69999	0.6
109.02790	0.9
109.06459	1.1
111.00719	2.6
113.02338	6.5
115.03893	4.1
119.03396	11.6
121.02776	2.6
123.00775	9.0
124.01507	1.1
125.01454	1.0
125.02338	17.0
127.03891	1.4
131.03401	6.4
135.04379	0.9
136.98668	1.2
139.00195	2.9
140.00980	1.8
141.01836	1.3
143.03407	8.6
145.04990	4.8
151.00305	4.2
161.04478	3.3
161.09482	0.9
163.06039	56.9
164.06293	1.5
166.99687	1.4
167.06990	0.8
168.00540	3.9
169.01352	19.0
170.01559	0.7
175.31396	0.6
179.05362	1.8
185.08113	1.0
185.11563	0.6
186.89816	0.6
187.11263	0.8
189.09053	0.7
199.13155	1.2
203.10368	0.7
205.07117	16.0
206.07355	1.1
209.11444	0.7
211.02431	7.3
265.09381	3.8
271.04654	6.2
272.04764	0.8
299.98642	1.0
300.01804	0.6
300.99704	1.2
307.13504	1.1
313.05612	3.8
335.22263	27.7
336.22595	3.1
405.21191	3.2
435.08752	1.3
457.16531	1.0
485.19781	0.7
497.22968	3.4
521.32269	1.1
539.21460	1.2
557.21399	27.1
558.22058	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	557.2235
Annotation	Yadanziolide U
Peak:m/z	Relative Intensity
55.01740	2.3
57.03315	1.9
57.88284	1.7
59.01252	18.0
65.00186	2.4
67.01762	9.7
69.03313	5.9
69.60815	13.5
71.01261	15.1
72.99191	2.0
73.02833	3.0
75.82388	1.7
83.01248	11.3
83.04917	4.5
85.02811	6.3
89.02306	4.1
93.03329	10.6
95.01263	43.7
97.02830	6.0
99.00776	3.1
99.04388	2.3
101.02310	7.2
107.01285	2.4
109.02800	2.6
111.00767	27.9
111.04410	10.4
113.02328	10.5
113.74306	1.6
122.99905	3.1
123.00773	48.5
123.08072	3.5
125.02357	17.2
137.02333	4.6
139.00276	55.9
140.00858	1.8
141.01837	10.9
151.00264	3.8
151.03857	2.3
155.03377	2.8
161.04430	2.1
165.99028	4.4
166.99774	100.0
168.00346	4.6
169.01334	20.6
173.04530	3.9
185.00858	18.3
211.02377	2.4
300.99902	6.2
401.10602	1.9
401.18042	8.3
419.45276	1.7
452.03201	2.1
529.23297	2.4
539.21350	64.1
540.21680	8.5
557.22333	77.0
558.22552	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	557.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55500	0.5
56.56622	0.5
57.03329	1.4
58.30390	0.5
59.01255	5.8
65.00191	0.6
67.01750	0.9
69.03334	0.9
69.77509	3.4
71.01257	4.4
72.99185	0.9
73.02797	0.6
85.02795	1.2
87.00751	1.1
89.02308	1.9
90.56698	0.6
95.01255	2.4
96.95881	3.1
97.02833	1.0
101.02317	1.9
107.01264	6.9
111.00759	2.2
113.02339	1.6
121.02840	0.8
123.00774	10.6
124.01535	1.5
125.02344	26.3
126.02691	0.9
127.00263	0.6
136.98679	1.2
137.02359	0.8
139.00261	4.5
139.03929	0.6
140.01031	3.1
141.01849	2.1
149.09633	1.9
151.00267	5.5
165.01756	0.6
166.02670	0.8
166.99777	1.7
167.10699	0.6
168.00586	8.1
169.01343	38.3
170.01680	1.6
187.13692	0.5
191.03406	0.6
201.78333	0.5
211.02435	23.5
212.02742	1.2
214.99670	0.7
217.01231	0.6
222.17332	0.5
229.01360	0.7
237.92593	0.5
241.03548	0.8
243.76122	0.6
245.00974	0.6
246.13377	0.5
247.02309	0.6
257.00946	0.6
271.04590	24.9
272.04935	2.1
275.01926	1.0
299.99072	1.0
300.99911	4.9
313.05606	1.3
331.06647	0.7
349.70502	0.6
405.13095	1.3
452.03494	0.9
466.02805	1.0
498.19415	0.7
557.22388	100.0
558.22675	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	557.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08971	4.1
55.01775	4.6
59.01254	100.0
71.01248	37.5
71.57863	9.4
72.99210	5.2
73.02835	5.5
83.04879	7.8
85.02826	9.0
89.02326	37.3
90.55247	4.6
95.01275	8.6
101.02336	18.5
107.01275	12.9
113.02310	13.3
118.04502	5.2
119.03384	12.0
123.00779	16.0
125.02348	41.6
135.04343	5.7
145.04919	5.0
151.00310	9.1
154.75494	4.5
161.04506	9.6
166.99881	5.5
168.00603	7.9
169.01350	45.1
171.01701	4.8
175.04060	6.4
179.05550	8.1
207.42508	4.8
211.02409	9.4
271.04556	7.7
275.01904	11.9
300.99863	11.8
311.09332	16.2
326.11511	9.9
341.14081	25.1
346.59277	4.9
381.14413	6.7
493.19394	4.9
497.27579	10.2
557.22668	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1301
Annotation	3,3',4,5'-Tetrahydroxystilbene 3'-O-beta-D-(6''-O-galloylglucopyranoside)
Peak:m/z	Relative Intensity
55.01738	1.4
57.02076	0.7
57.03313	1.7
57.12690	0.6
59.01249	51.3
61.98705	1.6
65.00200	0.7
67.01757	1.5
68.99689	0.7
69.03332	5.9
69.90145	0.7
71.01254	16.7
71.45203	1.3
72.99175	1.5
73.02821	2.6
79.01756	2.2
81.03334	1.0
83.01249	2.9
83.04884	0.6
85.02814	6.7
87.00739	1.8
87.04412	1.2
89.02324	7.8
95.01266	5.6
95.04913	0.7
96.95862	0.9
97.02815	5.8
99.00763	0.8
101.02320	9.3
107.01267	16.6
107.01957	1.2
108.02057	7.8
109.02842	7.3
109.99971	0.7
111.00761	3.7
113.02322	5.8
119.03376	3.2
121.02860	3.3
123.00771	16.8
123.04382	0.8
124.01560	2.5
125.02336	82.0
126.02664	2.6
127.03928	1.1
129.01808	0.7
135.00838	1.5
135.04367	1.2
136.98703	2.7
137.02354	7.5
138.03206	1.0
139.00264	6.5
139.03902	0.7
140.01050	6.6
141.01846	3.4
143.03378	1.8
145.02867	0.9
149.02452	0.7
151.00270	13.6
152.01012	1.6
153.01837	8.4
161.02438	0.8
161.04456	3.2
166.99739	1.2
168.00554	7.6
169.01338	90.8
170.01682	3.9
175.03906	1.2
177.01756	0.9
179.05644	1.5
187.11215	0.9
191.03365	0.8
193.98457	0.6
197.06004	6.4
205.38969	0.6
211.02287	4.3
213.05515	1.7
214.99745	0.7
215.06911	0.7
241.03442	1.7
242.05745	1.7
243.06628	4.1
243.16020	3.4
253.03560	1.4
271.04666	2.1
297.06277	1.0
299.98944	0.8
300.99963	2.6
307.10516	0.7
312.04868	1.7
313.05646	29.3
314.05972	1.6
319.11935	0.8
335.22363	2.5
387.63434	0.7
403.10605	0.7
405.21225	11.0
406.21405	0.8
422.08560	2.0
449.07129	5.0
461.25302	1.4
466.07578	2.5
479.26538	1.6
497.27408	3.8
519.32013	1.1
521.33441	4.6
557.13055	100.0
557.22589	23.3
557.31049	3.2
558.13586	16.7
558.23029	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01596	1.1
61.98705	3.7
77.84320	1.0
84.10446	0.9
89.02349	1.1
96.95892	5.7
98.79057	0.9
158.53629	1.0
169.01395	1.9
171.57407	1.0
183.13957	1.0
193.12427	1.1
197.42241	0.9
209.11781	27.0
210.12151	1.3
211.13344	38.0
212.13715	2.1
227.12921	2.5
246.83263	1.1
249.15060	1.1
300.99924	1.5
362.60822	1.0
385.51828	1.3
519.33075	1.4
544.87360	1.2
555.30750	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	557.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57123	0.6
57.03312	0.9
59.01251	23.0
60.01580	0.8
61.98698	2.8
65.00201	2.4
65.03825	2.4
67.01755	3.2
68.99704	1.4
69.03326	2.0
69.25366	4.2
69.25790	2.4
71.01254	13.8
72.99173	1.6
73.02816	1.9
79.01781	0.8
83.01244	1.8
84.53339	0.6
85.02821	4.6
87.00757	3.3
89.02318	5.1
89.53957	0.6
91.01769	30.8
95.01250	3.8
96.95885	1.9
97.02828	2.2
99.00716	1.4
101.02320	5.9
107.01269	15.8
109.02839	29.5
109.06471	1.0
111.00745	3.9
113.02335	4.5
119.03381	1.5
119.04928	0.7
121.02845	0.9
123.00767	21.5
123.04388	0.7
124.01539	1.9
125.02332	67.3
126.02674	1.9
127.00279	1.0
133.02872	1.0
135.00778	65.2
136.01112	2.3
136.98711	2.1
137.02361	2.5
137.09540	0.7
139.00259	7.2
139.03896	0.6
140.01053	4.8
141.01834	2.3
143.03426	1.0
145.02861	1.1
148.01530	0.8
149.02367	2.0
149.99457	2.2
151.00275	12.5
151.03954	0.7
153.01839	82.0
154.02188	3.1
157.02908	1.3
161.02362	2.1
161.04451	2.6
163.03926	1.3
165.05467	0.9
166.99721	2.9
167.03374	0.8
168.00542	8.8
169.01335	92.0
170.01671	3.1
171.04419	0.9
173.02431	0.9
175.03900	1.6
177.01898	2.3
179.03398	0.8
179.05528	1.3
185.02354	11.3
186.02667	1.0
187.11145	0.8
189.01932	1.1
191.03383	1.2
193.98502	26.7
194.99249	3.6
199.03964	0.7
201.01881	0.8
211.02446	2.7
214.02356	0.6
215.03488	0.9
215.07191	0.8
217.01416	1.2
223.02415	0.8
227.03452	0.8
229.01547	1.6
241.01341	1.5
241.03484	1.5
242.02162	6.5
243.02946	16.4
244.03314	1.2
245.00778	1.2
246.98869	0.7
269.00888	18.0
270.01395	1.4
271.04657	1.7
275.02008	1.2
287.01956	6.1
288.02353	1.0
295.04663	0.9
297.06137	1.0
299.99252	0.9
300.99857	4.1
301.03195	1.3
313.05643	37.0
314.05991	3.0
315.07196	3.1
329.03018	25.0
330.03403	1.9
335.22217	1.3
359.04047	2.1
378.11896	2.1
389.05130	29.8
390.05508	2.8
422.08459	10.6
423.08905	0.9
449.07233	100.0
450.07657	10.0
466.07550	10.3
467.08212	1.6
497.27417	5.1
508.79147	0.8
513.14075	1.3
519.31647	2.5
520.31903	0.9
521.33051	2.0
557.12976	46.0
557.26178	22.0
558.13348	8.0
558.26129	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.2
57.03319	1.4
58.00466	1.9
59.01252	100.0
59.06449	0.8
60.01580	1.9
61.98703	4.1
68.99685	1.5
69.41788	5.4
69.42214	1.8
71.01254	23.6
72.99172	2.4
73.02820	1.0
83.01274	1.5
83.04895	0.9
85.02827	7.2
87.00742	2.1
89.02317	30.4
93.03347	1.2
95.01250	3.0
97.02839	1.1
101.02333	13.4
107.01277	3.4
109.06470	1.6
111.00753	2.7
113.02343	10.3
119.03401	13.8
121.02855	2.1
122.03596	3.5
123.00768	5.4
123.04365	1.0
125.02341	9.1
125.05960	0.8
126.02683	1.2
131.03349	1.0
133.02846	1.2
135.04387	1.6
136.01547	0.9
136.98711	1.0
137.02359	1.5
139.00235	1.7
140.01053	1.1
143.03397	1.3
145.02821	0.8
146.02364	1.1
149.02382	5.1
150.03133	22.0
151.00284	3.1
161.02350	1.8
161.04436	2.1
163.03915	1.0
164.04662	2.2
165.05495	23.9
166.05902	1.7
166.99776	1.2
168.00591	2.1
169.01355	12.4
170.01732	1.1
171.01805	1.0
171.06538	1.4
179.05501	3.0
180.04181	1.5
181.01408	1.1
195.06557	16.6
200.11972	0.9
223.13208	0.9
240.04318	0.9
269.08276	1.1
271.04556	1.3
285.03992	1.4
297.18619	21.1
298.18863	3.6
299.02127	1.0
300.99829	2.9
301.03177	1.4
311.09235	0.9
313.10855	1.3
314.11597	1.6
325.11136	1.2
329.13950	5.0
333.20691	1.8
341.13824	2.4
343.11926	1.2
375.10861	0.8
477.24817	7.0
478.24890	1.0
495.26068	5.9
496.26703	1.0
507.19949	2.6
555.19409	8.9
556.22437	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10390	1.2
54.30695	1.0
55.01765	1.5
57.03313	2.2
58.00466	2.1
59.01252	100.0
61.98709	3.6
63.10321	1.0
65.00185	1.2
67.01773	2.5
68.13820	1.1
68.99680	1.8
69.03313	1.4
71.01257	37.2
71.58209	2.1
72.99196	3.7
73.02827	7.2
75.00774	1.9
77.42019	0.9
81.03339	1.5
83.01273	4.9
83.04899	3.2
85.02829	12.2
86.00002	1.2
87.00745	5.2
87.04366	1.0
88.98695	1.9
89.02323	26.2
89.02838	2.0
90.88043	1.1
91.00458	1.1
91.98716	1.0
93.03349	3.4
95.01264	6.0
95.04929	1.2
97.02834	1.4
99.00769	3.1
101.02328	26.5
107.01250	6.1
107.04932	1.1
107.47997	1.0
108.02047	1.7
109.02856	2.6
109.06481	1.8
111.00780	3.8
113.02335	14.5
119.03400	12.1
119.59753	1.1
121.02844	9.2
122.03644	6.9
123.00780	7.0
123.04456	1.3
124.01531	1.5
125.02340	22.1
126.02674	1.3
129.01860	1.2
131.03386	1.8
131.22331	1.0
133.02869	1.8
134.03720	1.4
135.04424	4.8
135.05453	1.1
136.01585	1.7
137.02356	2.5
139.00272	3.5
140.01041	1.7
141.01862	1.9
143.03438	2.4
147.04454	1.3
149.02356	40.8
149.04272	2.0
149.05983	1.2
150.03143	52.6
151.00294	4.1
151.03659	2.4
153.05545	1.5
159.02928	2.2
161.02365	1.9
161.04488	11.7
161.05743	1.9
163.00258	2.8
163.03894	4.3
164.04727	12.5
165.05489	54.8
166.06148	3.0
166.99841	2.7
168.00546	3.3
169.01347	32.2
170.01680	3.3
175.03935	2.7
177.05482	1.7
178.99768	1.3
179.05513	3.4
179.06984	2.3
180.04224	3.2
181.08646	1.1
183.04556	1.1
190.99770	1.2
191.03484	2.3
192.04184	1.5
193.04951	2.3
195.06560	30.6
207.06543	1.8
211.02455	2.0
214.55954	1.1
220.07184	1.2
229.01418	1.0
233.15414	1.5
243.02849	2.1
255.03011	2.7
269.08194	3.5
269.11945	1.6
271.02362	5.2
271.04999	1.4
273.00476	1.8
275.01871	1.4
283.09650	1.2
285.04129	1.2
285.18604	3.1
297.11511	6.7
297.18582	2.0
298.08313	1.5
299.01917	1.7
299.09174	1.3
299.99323	2.1
300.02771	11.0
300.09836	1.6
300.99878	7.9
301.03525	5.7
302.00311	1.6
311.09128	3.8
311.12619	1.7
313.10727	2.4
314.11597	4.6
315.12360	2.1
315.19666	9.7
325.10925	2.0
326.11514	2.6
327.12280	3.3
329.13922	8.7
333.20749	2.5
341.13992	4.3
356.12604	1.3
371.15030	1.9
387.21732	6.8
388.22366	1.3
408.31470	1.1
417.13632	2.1
425.21866	12.4
431.14862	2.4
433.16641	3.1
459.23923	2.7
462.16995	2.4
477.19052	12.9
477.25015	26.0
478.19781	2.5
478.25363	4.2
489.19684	2.0
495.26041	6.4
507.20236	62.1
508.20627	10.5
547.07745	1.6
555.20416	20.3
556.10870	4.7
556.21832	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	555.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56607	1.7
56.58806	1.8
57.03324	4.8
58.00459	2.3
59.01253	100.0
61.98696	6.4
68.99686	3.8
69.03345	3.0
71.01257	28.7
71.58305	2.3
72.99183	5.7
73.02814	4.8
75.00762	4.2
79.28851	1.7
83.01255	2.2
83.04872	4.6
85.02821	11.9
87.00751	4.4
89.02308	23.0
89.20638	1.6
93.06973	2.6
95.01294	3.7
97.02833	4.6
99.00742	2.2
101.02332	18.5
101.38274	1.7
107.04922	1.8
109.06462	6.3
111.01633	1.6
111.08022	4.0
113.02349	12.9
119.03370	10.7
123.00755	5.9
123.08029	1.8
124.01546	1.9
125.02356	14.8
125.05981	3.6
127.07539	2.3
128.86084	2.0
137.05966	3.7
139.00302	2.0
140.01099	2.8
141.01834	7.5
141.08878	1.7
143.03371	2.6
143.07051	1.9
149.02309	2.9
150.03246	3.3
151.00269	4.7
153.05501	3.9
155.07043	83.6
156.07350	2.9
161.04451	11.1
165.05455	6.1
168.00606	3.5
169.01343	16.3
171.06622	2.0
177.09074	3.5
179.05559	6.5
195.06346	2.2
211.02431	3.2
239.12860	2.5
240.04185	2.3
271.04501	2.1
298.08383	2.3
300.99887	5.3
307.08292	1.9
333.11807	3.9
333.20691	9.4
347.22437	3.4
357.15543	12.1
363.23904	2.6
393.23328	2.2
401.18219	6.8
495.29065	1.8
509.27756	4.0
519.31787	13.4
520.31677	2.8
537.23267	3.5
555.23187	32.7
556.24603	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.4
57.03335	1.4
58.00457	1.3
59.01252	57.3
60.62776	1.0
61.98696	3.2
67.11213	1.0
69.64947	6.0
71.01255	17.0
72.99183	2.7
73.02790	1.1
83.01268	2.4
83.04900	1.2
85.02814	3.7
87.00780	2.4
87.71533	1.0
89.02319	19.3
93.03353	4.1
95.01279	2.5
95.04923	1.6
101.02322	10.9
107.01268	1.8
107.28031	1.1
108.02113	1.1
110.06951	1.0
111.00755	1.8
113.02328	7.4
119.03384	7.1
119.04784	1.0
121.02846	9.1
121.30599	1.2
122.03630	12.6
123.00749	3.8
123.04415	2.9
124.01516	1.2
125.02355	8.3
133.02815	2.9
135.04424	2.1
137.02335	1.4
137.09544	1.1
138.20836	1.3
139.00302	1.3
143.03448	2.3
145.02867	1.8
147.04437	1.4
149.02353	65.0
150.03134	78.4
151.00293	2.4
151.03516	4.1
158.03516	1.2
161.04460	3.1
163.03983	1.8
164.04712	14.2
165.05490	79.9
166.05856	4.3
168.00551	2.2
169.01331	12.0
175.03944	1.7
177.05508	1.6
179.05630	2.3
179.07043	2.4
180.04195	4.1
195.06554	44.5
196.06915	2.6
226.08412	1.3
241.08612	1.7
241.14429	1.5
269.08154	3.1
269.11780	3.2
270.08868	1.3
281.08118	1.3
283.09769	2.8
285.03986	1.3
296.10510	2.3
297.11295	11.2
297.18597	8.1
298.08627	1.7
298.11880	2.9
298.18826	1.1
299.09274	3.7
300.09845	2.6
300.99838	3.5
301.03195	1.8
302.00528	1.2
310.08655	1.2
311.09183	3.9
311.12689	2.3
312.09647	1.3
313.10663	2.0
314.11655	6.7
315.12421	2.4
315.19461	1.4
325.10754	4.0
326.11392	2.7
327.12271	2.3
328.08691	1.0
329.13907	14.9
330.14069	1.5
341.13879	9.5
417.13803	2.4
425.21793	1.9
431.14877	6.5
433.16425	6.3
445.16553	1.2
461.16156	1.2
462.16580	4.4
463.17117	1.9
471.93750	1.0
476.70029	1.3
477.19092	22.8
477.25110	7.3
478.19498	3.8
478.25513	1.5
489.19165	3.9
492.17923	1.9
495.25836	3.0
507.20239	100.0
508.20584	15.9
555.20465	11.4
556.10950	1.4
556.21594	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66836	1.8
53.00190	6.3
55.01758	4.6
57.03312	3.1
59.01252	25.4
64.93196	1.8
65.00193	16.3
67.01759	6.7
69.03329	2.7
71.01250	18.0
71.58093	1.9
71.58453	1.9
72.99197	2.0
73.02829	4.1
75.00755	2.6
75.87125	1.8
79.01776	2.4
80.99693	13.2
83.01256	20.1
85.02817	13.2
87.00757	19.0
89.02325	5.9
92.99694	5.3
95.00700	3.2
95.01264	29.9
97.02809	2.7
97.89336	1.6
99.00748	5.0
101.02326	8.2
107.01279	5.5
108.99194	2.4
111.00768	94.7
112.01064	3.4
112.98723	2.1
113.02312	9.4
119.03382	2.2
120.99261	2.4
121.02841	2.4
123.00777	27.1
124.01527	2.0
124.98656	2.3
125.02345	26.9
127.00265	19.8
136.98686	13.0
139.00269	74.1
140.00949	6.6
141.01857	8.1
143.80301	1.5
151.00294	8.1
151.03877	1.7
153.01820	3.4
154.99763	25.2
157.01337	6.2
161.02399	3.5
161.04445	1.7
163.00371	1.9
164.98230	5.7
166.99767	33.7
168.00554	13.6
169.01343	33.5
170.01692	2.8
176.03375	2.0
177.04039	2.0
181.01299	2.1
182.99277	20.1
185.00839	5.1
190.99854	1.8
211.02496	8.0
224.42764	1.5
225.57387	1.7
271.04526	10.2
275.02383	1.7
300.99994	3.6
307.08084	2.6
329.05124	5.9
333.20309	3.2
371.20630	2.0
443.15356	11.0
453.20749	1.7
467.19318	3.9
509.20178	8.1
511.21628	3.8
527.21490	2.7
537.19775	100.0
538.19794	14.7
555.20459	29.8
556.21259	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.4
59.01257	28.2
61.98685	1.8
67.01760	0.9
69.03326	1.4
71.01250	17.1
71.57752	1.2
73.02818	2.0
75.00753	1.0
78.15134	0.7
78.95791	1.9
83.01270	2.2
83.04912	1.5
85.02820	4.6
87.00736	0.9
89.02320	14.7
95.01260	2.3
96.95892	2.9
96.96832	4.4
98.02340	2.2
99.00764	1.5
101.02318	13.2
107.01273	2.8
111.00764	1.9
113.02322	5.8
116.86855	0.8
119.03384	5.4
123.00780	5.6
123.08044	1.7
125.02352	12.7
126.56856	0.8
139.00276	3.8
140.01074	1.7
141.01831	0.9
146.07898	0.8
150.85376	0.7
151.00270	3.5
152.03395	0.9
163.11200	1.0
166.06140	1.1
166.99759	1.5
168.00566	2.7
169.01324	18.3
170.01692	0.8
175.40979	0.8
179.14365	1.4
181.08678	0.9
205.12219	0.8
211.02451	6.4
223.13356	21.5
224.13745	1.3
232.77481	0.8
241.14345	1.3
271.04507	4.1
300.99811	2.3
403.19720	67.9
404.20117	5.8
495.25467	1.0
537.19904	1.6
555.20789	100.0
556.21173	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	555.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	20.6
65.00202	1.7
67.01758	9.9
69.03311	2.4
71.01273	10.8
72.99171	1.6
73.02807	2.5
79.01775	1.9
83.01257	7.2
85.02827	4.7
87.00771	2.9
89.02325	7.0
95.01267	33.0
96.95873	7.2
97.02837	5.6
98.20583	2.6
99.00793	3.5
99.45904	1.3
101.02316	5.9
102.98450	2.1
107.01264	5.5
109.02843	2.1
109.37908	1.4
109.99959	1.8
111.00770	25.5
113.02316	6.3
119.03407	2.9
121.02905	1.6
123.00775	40.1
125.02344	27.7
126.02682	1.6
131.03351	2.1
137.02335	2.4
139.00276	54.7
140.00658	2.9
141.01854	6.9
143.54543	1.7
149.02365	2.0
150.03168	1.4
151.00259	4.1
151.03839	2.5
153.09109	2.1
161.04485	2.9
162.03214	1.6
163.00327	2.1
163.03981	2.0
165.05490	1.9
165.98941	4.3
166.99773	100.0
168.00420	4.4
169.01331	33.0
170.01718	2.1
177.01845	1.9
179.03418	1.6
185.00835	23.1
185.02454	2.1
191.00006	2.5
211.02379	5.2
245.00861	2.1
271.04575	5.3
300.99899	7.5
302.00308	1.6
329.05188	1.6
337.02216	1.8
537.19781	60.1
538.20428	8.9
555.20844	34.7
555.34021	3.7
556.20990	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	553.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	2.1
58.00486	1.0
59.00994	1.3
59.01257	18.7
61.98703	2.0
65.00196	1.3
67.01759	2.8
67.82299	0.9
68.99695	1.5
69.03328	1.2
71.01258	11.7
71.57518	0.9
71.57938	1.4
72.99161	1.9
73.02837	2.1
75.00731	1.0
81.03301	1.6
83.01263	5.9
83.04885	1.7
85.02811	4.5
87.00740	2.3
89.02314	6.2
93.03331	1.3
95.01252	5.9
96.95911	1.2
97.02831	2.1
99.00780	1.9
101.02314	5.7
106.00533	0.9
107.01276	12.7
107.04897	0.9
109.02847	2.2
109.06435	1.1
109.99931	2.3
111.00761	12.1
113.02332	5.0
119.03368	1.7
119.04906	1.3
123.00763	15.1
124.01575	4.2
125.01456	1.9
125.02341	34.5
126.02654	1.6
127.00278	6.3
127.21264	0.9
135.04419	2.4
136.98730	6.5
137.02318	1.2
137.05942	2.9
139.00266	14.3
140.01057	16.3
141.01808	3.4
149.02327	1.4
150.03059	1.5
151.00264	8.6
153.01736	1.1
153.05479	1.1
154.99800	2.4
155.07030	4.2
161.04388	2.4
163.00192	1.6
163.03848	0.9
165.05461	1.4
166.99739	4.5
168.00572	14.4
169.01338	47.0
170.01668	2.3
171.08058	0.9
175.03935	1.2
177.01801	1.4
181.01373	1.7
181.04948	1.6
185.88231	0.9
193.01382	2.5
211.02391	3.2
217.14317	1.1
218.14716	0.9
228.79437	0.9
245.08038	1.2
271.04468	2.5
289.07150	8.6
290.07382	1.1
300.99988	5.5
303.07187	1.7
307.08209	4.9
313.05670	1.1
329.04892	1.1
331.19199	11.8
332.19516	1.2
386.40009	1.0
397.11441	0.9
401.14069	1.7
405.41898	0.9
415.12357	1.5
487.44394	1.0
493.07806	0.9
493.23892	1.4
509.20706	1.0
535.18073	1.2
553.19165	100.0
554.19379	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	553.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.7
57.03328	0.5
59.01253	100.0
60.01591	0.9
61.98696	2.8
71.01254	8.4
72.99193	0.9
73.02818	3.2
83.01270	0.8
83.04926	0.5
85.02822	3.6
87.00773	0.6
87.04397	0.4
89.02310	3.0
95.01272	1.1
97.02863	0.5
98.19763	1.0
99.00776	1.7
101.02311	5.1
107.01233	0.5
107.17535	0.4
111.00796	1.0
113.02332	2.9
119.03405	1.0
123.00761	0.7
125.02350	2.4
131.03395	0.9
143.03362	0.6
145.02901	0.6
149.04497	0.4
155.40106	0.4
159.02917	0.9
161.02393	0.5
161.04482	6.3
169.01367	3.4
171.13652	0.5
179.05635	0.7
179.07133	0.7
193.05081	0.4
209.11789	0.7
227.03615	0.7
244.72345	0.5
255.03020	1.2
271.04843	0.5
284.03412	1.3
285.03961	1.1
293.34940	0.4
300.99908	1.4
331.19427	0.7
361.22208	2.3
493.25397	1.1
494.25671	0.5
506.58047	0.5
510.06760	0.4
553.25629	2.8
553.33801	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	553.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49669	1.1
57.03333	3.0
58.00464	4.1
59.01254	87.4
60.24355	1.3
61.98700	12.3
70.87229	4.7
71.01259	69.4
72.99182	5.5
73.02825	3.9
75.00753	2.6
75.28567	1.2
83.01266	3.2
85.02836	14.7
87.00755	5.6
89.02323	100.0
90.02620	1.3
95.01278	4.8
96.95904	4.0
97.02852	1.3
101.02328	34.4
102.02693	1.5
107.01262	2.1
111.00803	1.9
113.01542	1.6
113.02335	29.4
113.79498	1.3
115.00239	1.7
119.03397	38.5
119.73400	1.3
123.00763	4.0
125.02341	12.0
131.03375	3.6
139.00256	1.8
143.03394	9.2
149.04471	4.4
151.00288	3.0
161.04495	10.4
163.00337	1.9
165.01871	1.3
168.00557	2.4
169.01373	11.5
179.05545	37.9
180.05980	1.6
209.11548	1.4
211.02379	2.3
228.43300	1.3
262.64059	1.3
277.63257	1.3
299.99344	1.4
300.99942	5.7
329.24814	2.9
331.19128	2.4
339.80310	1.3
347.25919	14.0
348.26428	1.5
361.22177	1.6
373.23810	18.4
374.24063	1.9
391.24854	26.8
392.25418	3.8
463.27161	1.5
551.97498	1.5
553.25836	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	554.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36549	12.1
54.86868	11.4
59.01257	100.0
61.98710	99.4
63.39613	10.9
71.01259	22.1
71.57236	12.5
71.57693	15.7
87.00755	11.6
96.95888	31.8
107.01278	21.4
125.01458	15.8
125.02348	89.2
137.98431	13.7
147.00797	16.9
151.95647	11.4
165.01845	17.5
169.01318	98.0
175.00323	15.0
176.01028	22.3
202.99738	20.9
235.02367	14.6
246.98807	28.7
279.01483	97.9
299.98969	18.1
300.99823	72.3
302.00137	17.0
331.22717	44.5
332.23199	31.3
373.01440	14.2
430.05905	14.0
491.11847	29.4
552.25739	13.7
554.34387	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	554.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	1.7
61.98683	1.3
70.84960	0.7
71.37228	1.4
78.95308	1.4
78.95776	24.1
79.29617	0.9
80.96393	1.1
96.95903	1.5
125.02344	1.8
152.99481	2.6
168.04190	3.7
169.01395	2.1
177.11023	0.8
198.11928	0.8
202.35760	0.7
224.06880	11.4
242.07939	2.4
279.23282	100.0
280.23560	8.0
300.99866	1.5
319.38708	0.8
504.30994	59.1
505.31448	6.6
554.31708	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96095	0.2
59.01250	23.0
61.98707	0.4
71.00233	0.5
71.00593	0.6
72.81293	0.2
78.41739	0.2
78.95778	18.9
96.95877	0.8
96.96870	0.3
122.98412	0.4
125.02308	0.5
127.44204	0.3
152.99509	2.8
168.04237	3.1
196.83339	0.3
224.06886	8.5
242.07994	1.8
255.23271	100.0
256.23618	8.6
480.30936	53.2
481.31277	6.8
554.33051	0.6
555.29626	0.4
559.64276	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30877	1.1
55.01775	1.8
57.03338	1.5
59.01257	16.8
66.63013	1.2
67.01768	3.4
69.03325	2.7
71.01254	15.0
71.57402	2.3
72.99181	3.0
73.02873	1.9
79.01776	2.8
83.01257	2.8
85.02824	4.7
86.23692	1.2
87.00725	1.7
89.02308	10.2
95.01255	8.9
96.95881	10.8
97.02802	2.1
98.54084	1.3
99.00755	3.0
101.02322	10.3
107.01283	10.1
108.65417	1.3
111.00755	4.8
113.02328	5.0
115.00191	2.4
117.85779	1.5
119.03393	3.1
121.02839	1.6
123.00774	27.1
124.01602	2.5
125.01432	2.7
125.02348	43.4
126.02657	3.7
127.00255	2.2
129.01778	2.1
136.01544	1.9
136.98712	2.4
137.02328	4.6
139.00284	8.8
140.01073	6.3
141.01802	2.4
149.02368	2.2
150.03107	1.4
151.00276	12.7
151.03934	1.7
153.01878	1.7
155.66934	1.3
163.00273	4.1
163.03897	2.2
165.01860	2.1
165.05440	3.5
166.02522	1.4
166.99811	5.4
168.00549	11.2
169.01346	57.1
170.01674	5.1
173.02333	2.0
175.02425	2.9
177.01839	1.9
181.05023	2.7
189.01854	1.4
191.03525	1.4
193.01323	1.4
195.06592	1.8
197.04431	2.0
203.03430	2.1
206.23969	1.3
209.00790	1.7
211.02432	19.8
219.02913	1.4
229.01329	1.7
241.03540	1.8
242.99359	1.5
245.00919	2.1
257.01019	1.4
271.04572	22.2
273.00449	1.8
275.01727	2.0
299.98932	2.2
300.99942	13.7
302.00232	7.4
303.00433	2.3
309.52209	1.3
313.00098	1.4
313.05740	2.2
331.06714	5.5
403.12463	100.0
404.12839	8.8
465.10446	2.4
537.18909	2.0
555.13525	58.2
555.20966	15.6
556.13654	8.8
556.21320	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	553.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.2
56.24384	0.7
56.94094	1.0
57.03315	3.5
59.01254	21.8
60.05131	0.8
69.48674	6.3
69.49079	1.5
71.01253	19.3
71.32767	0.7
72.99166	1.1
73.02823	7.6
83.01241	4.1
85.02818	10.6
87.00729	0.9
89.02323	9.5
95.01279	2.5
99.00772	2.4
101.02330	22.4
107.01280	2.1
113.02321	6.7
119.03395	3.5
120.18769	0.8
123.00766	7.6
123.08024	3.7
125.02340	9.0
136.98727	1.1
139.00291	1.9
140.01042	2.0
141.01715	0.8
151.00282	2.7
154.40146	1.0
159.02893	1.3
161.04364	1.2
168.00581	2.0
169.01337	8.3
177.12770	5.9
191.59084	0.8
195.13832	2.6
211.02359	3.6
215.82228	0.8
216.84175	0.9
221.11720	4.3
234.46786	0.9
271.04626	1.9
292.28271	1.1
370.83124	0.9
401.18164	79.1
402.18411	9.2
404.69281	1.0
455.95361	0.9
509.20358	4.4
553.19269	100.0
554.19617	16.8
580.35791	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.5
59.01249	4.5
61.85155	0.5
67.01785	0.7
71.01260	4.9
72.99200	0.8
73.02834	2.5
75.00729	0.5
79.01759	0.7
83.01249	0.9
85.02821	3.7
87.00771	0.8
88.98674	2.6
89.02326	2.2
95.01267	1.6
97.02856	1.3
98.19788	1.9
99.00780	1.0
99.75040	0.6
101.02324	5.4
107.01271	33.5
108.01595	0.8
111.00758	1.6
113.02346	2.3
123.00768	7.9
125.02338	77.3
126.02679	2.3
127.00232	0.7
136.98763	0.7
139.00264	2.2
139.86345	0.5
140.01041	0.8
141.01830	1.3
151.00256	3.9
161.02382	0.6
168.00552	1.1
169.01338	100.0
170.01620	3.4
195.06718	0.6
195.13745	0.6
271.02463	1.1
300.02832	2.7
301.03360	0.8
401.18454	2.8
463.08871	1.3
553.15515	65.5
554.15863	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	553.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37972	0.3
55.01751	0.3
57.03321	0.5
59.01250	7.0
61.98692	1.1
62.70298	0.2
63.02266	1.2
65.00204	0.8
67.01768	0.4
71.01254	4.1
72.44547	0.2
72.99173	0.4
73.02805	0.6
75.00745	0.4
75.93179	0.3
83.01263	1.8
83.04893	0.3
85.02818	1.9
87.00737	0.9
89.02325	1.8
91.01752	0.5
93.03343	1.9
95.01272	0.7
97.02850	0.4
99.00749	0.8
99.04372	0.4
101.02327	2.3
107.01272	3.0
109.02824	2.1
109.06464	0.3
111.00754	1.1
113.02341	1.4
117.03311	0.5
119.03366	0.9
121.02805	0.3
123.00779	1.3
123.04445	0.3
124.01557	0.3
125.02321	4.1
125.06015	0.3
126.60264	0.2
127.00240	0.3
129.01775	0.5
131.04913	0.3
133.02844	0.4
135.00755	0.9
135.04402	0.5
137.02321	1.0
139.00269	1.1
140.01059	0.4
141.01787	0.4
141.07005	0.4
143.04907	0.9
145.02812	0.6
150.03172	0.5
151.00264	4.0
153.01833	2.0
155.07019	0.6
157.06456	0.7
159.04387	1.2
161.02313	0.8
161.04478	1.1
163.00290	2.8
163.03964	0.3
164.00824	0.4
165.01828	0.8
165.05453	0.4
166.99750	0.8
167.04910	0.6
168.00519	0.9
169.01343	7.7
169.06483	0.9
170.01712	0.4
171.04459	0.5
173.02379	0.4
174.03098	0.3
175.03897	0.7
179.03528	0.3
179.05482	0.5
183.02974	0.3
183.04486	0.5
185.06007	2.4
187.03920	3.4
188.04233	0.3
189.05481	1.2
190.99817	0.3
195.04413	0.7
197.06027	1.0
199.03905	0.6
201.05499	1.0
203.03479	0.3
211.02563	0.4
211.03986	1.6
212.04573	0.4
213.05505	2.0
214.02617	0.4
215.03503	0.4
217.04854	0.3
223.04015	0.5
227.03412	1.9
229.05017	11.4
230.05284	0.7
239.03439	1.2
240.04146	0.8
241.04984	1.9
243.02975	0.5
245.01263	0.3
249.03979	0.3
255.02919	0.8
256.03729	0.9
257.04550	7.3
258.04852	0.4
267.02881	0.5
267.05179	5.3
271.04614	1.6
275.01950	0.4
284.03223	0.5
285.04037	100.0
286.04379	7.8
299.99115	0.5
300.99872	2.4
301.03168	0.4
313.05740	0.4
331.18948	0.4
361.22305	0.3
373.26077	0.5
401.18024	0.6
405.66113	0.3
493.24023	0.6
535.22711	0.3
553.09668	1.1
553.22021	2.4
553.32062	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	553.083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74104	2.9
57.03303	3.1
59.01254	11.5
60.99175	9.7
62.62022	2.6
63.84813	2.8
65.00200	4.0
67.01749	8.2
69.33439	27.6
71.01266	9.7
73.69107	2.9
75.17988	2.8
77.94865	3.7
85.02843	4.4
88.98677	60.2
95.01283	12.5
101.02349	2.9
107.01283	11.4
109.02814	3.4
111.00755	15.0
113.39149	3.2
119.03395	3.0
123.00770	16.1
125.02352	30.5
136.28876	3.6
137.02347	4.3
139.00259	23.6
140.01057	3.2
141.01836	6.4
147.04372	4.4
151.00282	13.5
161.35794	2.9
163.00282	4.2
165.01826	3.5
165.99030	4.6
166.99806	40.9
169.01364	41.1
170.01595	3.5
178.99808	5.0
185.00787	6.7
211.02359	3.6
243.03004	7.9
255.03008	23.1
271.02435	36.1
271.04980	4.1
272.02847	4.3
288.67606	3.2
300.02734	60.9
301.00143	6.8
301.03378	32.9
302.03958	3.3
309.45947	3.2
366.48846	2.8
392.14795	3.1
401.18011	6.8
463.08835	100.0
464.09174	14.9
535.18164	18.6
553.15216	21.2
565.71906	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	552.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04152	0.9
59.01239	4.1
61.98710	5.1
66.92181	1.0
67.57120	1.4
77.65143	1.0
78.95776	7.8
96.95868	3.6
98.20562	3.0
112.99751	1.1
141.99760	1.3
168.04178	2.8
242.07857	4.2
277.21722	100.0
278.22107	9.2
300.99768	1.8
442.73364	1.0
449.17328	1.1
502.29413	28.1
503.29929	5.2
553.31207	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	552.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95930	0.8
59.01246	2.9
61.98706	1.6
63.08998	0.7
64.59081	0.7
70.06802	3.9
71.01241	1.1
78.95779	28.6
96.95886	2.4
96.96839	1.0
152.99507	3.8
168.04198	5.0
224.06929	10.1
242.07938	3.3
253.21823	3.3
277.21735	100.0
278.22064	10.5
301.00031	0.9
313.86487	0.9
427.78925	1.0
443.69019	0.8
502.29440	66.3
503.29675	10.6
552.31555	1.7
553.31744	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86532	1.7
53.87035	1.7
56.40587	1.6
58.31658	1.7
60.61380	1.5
61.02726	1.6
61.18902	1.6
61.98708	100.0
63.37423	1.6
63.37897	1.6
74.32854	2.0
96.95908	5.8
98.19810	5.4
106.18044	1.7
145.46635	1.6
156.07042	1.6
156.81790	1.7
158.29178	1.7
169.51079	1.8
229.71140	2.1
229.73213	2.0
306.48001	1.9
350.42392	1.8
446.33240	1.7
552.30914	2.9
553.31653	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	551.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29806	0.5
55.01758	0.7
57.03308	1.0
58.00470	0.5
59.01252	9.0
61.98700	3.9
65.23148	0.5
67.01765	1.3
69.03313	0.9
69.33802	4.4
71.01254	4.1
72.99165	1.5
73.02826	0.7
75.00729	0.9
76.40396	0.4
76.50264	0.4
77.21273	0.5
79.01745	1.2
83.01251	1.4
85.02845	2.4
87.00754	1.0
87.04384	0.7
89.02306	2.4
95.01273	3.4
96.95918	0.5
97.02831	1.2
98.19654	0.5
99.00777	0.6
101.02322	3.3
101.05923	0.8
107.01274	4.7
109.99920	0.5
111.00766	2.9
113.02328	1.8
119.03332	0.5
123.00775	17.8
124.01557	1.1
125.02337	21.1
126.02658	0.5
127.00288	0.6
136.98703	1.5
138.01851	0.8
139.00279	5.1
140.01071	5.8
141.01833	2.7
151.00264	11.8
153.01802	0.8
161.02365	1.3
168.00574	4.7
169.01343	27.6
170.01732	0.8
177.03944	3.3
179.03391	0.6
181.04997	0.6
211.02423	3.5
233.02063	0.9
271.04633	2.3
300.99927	0.7
313.05606	1.3
329.05103	1.0
372.76849	0.5
390.30139	0.6
512.62238	0.5
533.36774	0.8
550.37299	1.9
551.24963	100.0
552.25250	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	551.25
Annotation	Dracunculifoside A
Peak:m/z	Relative Intensity
55.01752	0.8
57.03297	0.7
59.00986	0.7
59.01246	7.5
61.98694	1.4
69.03320	0.5
71.01246	5.3
72.99187	0.6
73.02804	1.5
75.00751	0.8
83.01266	1.3
83.04904	0.5
85.02826	1.9
87.00744	0.9
89.02301	1.7
95.01260	1.6
96.95884	0.8
97.02758	0.7
99.00786	0.5
101.02303	2.6
105.03287	0.9
107.01302	2.2
107.04919	0.6
108.02036	0.6
111.00761	1.4
113.02320	1.7
113.06038	0.5
117.03328	1.4
119.03408	0.6
121.02821	0.6
123.00771	7.6
123.04394	1.0
124.01563	6.6
125.02336	9.4
126.02709	0.7
132.02092	2.1
133.02852	32.8
134.03192	1.2
135.04401	8.1
136.04761	0.6
137.02287	1.2
139.00223	1.3
139.03899	4.2
140.01019	1.6
145.02834	0.7
147.88832	0.4
151.00307	1.4
153.01903	0.5
155.10712	1.0
159.04408	0.5
161.02348	100.0
161.09579	1.1
162.02704	4.9
163.00275	1.1
163.03888	1.5
166.99756	1.2
167.03409	1.5
168.00542	1.6
169.01335	9.7
170.01675	0.6
175.03938	1.2
177.05486	0.5
179.03406	4.1
187.11176	1.2
189.01816	0.6
189.09145	1.0
190.02574	0.6
191.03436	0.9
201.01907	0.6
203.96194	0.5
205.12277	0.8
211.02417	1.0
217.01225	0.5
227.16455	0.7
229.01523	0.7
229.68562	0.5
231.02956	0.6
232.03256	0.5
247.02487	0.6
257.01071	0.5
261.00449	0.6
271.04538	0.9
273.00616	0.5
274.00989	0.6
275.01944	1.7
299.99152	1.1
300.99893	5.6
302.00305	1.2
303.00287	0.7
389.25186	0.7
403.12732	0.6
427.84476	0.5
453.82443	0.6
551.25037	76.3
552.25415	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	551.25
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93746	0.4
55.69659	0.3
57.03312	0.5
59.01251	6.3
71.01249	4.6
72.99193	0.7
73.02798	1.1
73.78829	0.4
77.03783	0.4
83.01248	0.9
85.02830	1.9
87.00731	0.5
89.02336	2.2
91.05384	0.4
93.03355	0.4
95.01260	1.0
97.02840	0.7
98.20569	0.7
99.00716	0.9
101.02325	3.1
101.12198	0.4
105.03286	0.5
107.01255	1.4
111.00765	1.0
113.02328	1.6
113.21162	0.4
117.03336	1.2
119.03401	0.8
119.04900	0.4
121.02821	0.6
123.00800	2.7
123.04481	0.4
125.02341	6.9
131.84770	0.4
132.02052	1.5
133.02855	29.3
134.03264	0.6
135.04433	7.3
136.04756	0.5
136.98709	0.6
137.02350	1.1
139.00244	0.9
139.03897	0.5
141.01886	0.4
145.02905	0.6
145.60263	0.3
149.02298	0.5
150.99236	0.3
151.00310	2.2
153.01773	0.6
155.10675	0.5
161.02357	100.0
162.02689	4.4
163.00273	0.5
163.03920	0.9
163.11226	1.5
165.05621	0.5
166.99786	0.8
168.00569	1.4
169.01347	8.6
170.01785	0.6
179.03438	3.9
181.05025	0.4
190.32138	0.4
191.03415	0.3
193.01353	0.8
211.02449	1.5
221.04543	0.5
222.42149	0.4
227.03413	0.8
229.70793	0.4
249.03893	0.6
255.03006	0.6
271.04626	2.0
274.24893	0.4
285.03882	0.6
300.99976	3.2
301.03418	1.0
302.00336	0.4
313.05786	0.7
331.06488	0.4
387.09381	1.6
399.13184	0.6
403.12683	0.9
461.22903	0.4
521.20203	0.5
533.20404	1.6
534.20453	0.5
551.25073	65.5
552.11810	0.9
552.25562	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	551.2499
Annotation	Dracunculifoside A
Peak:m/z	Relative Intensity
57.00788	0.3
59.01250	3.1
59.10443	0.3
61.12493	0.4
62.36349	0.3
70.05911	1.6
71.01258	2.6
73.02818	0.6
85.02824	0.9
87.06200	0.3
89.02328	1.0
91.78092	0.3
95.01256	1.0
101.02331	1.3
104.34145	0.4
105.03345	0.6
107.01251	0.5
113.02334	0.5
115.01765	0.3
117.03343	1.4
121.02805	0.3
123.00783	1.3
125.02353	2.1
126.02645	0.3
132.02057	1.8
133.02852	38.3
134.03241	1.1
135.04417	8.3
136.04742	0.4
137.02371	0.5
139.00302	0.5
139.07570	0.5
153.09058	0.3
153.26373	0.3
155.10696	0.9
161.02353	100.0
162.02698	5.1
163.03883	0.3
166.99846	0.3
169.01353	3.4
170.95483	0.4
179.03444	3.6
227.16441	0.8
281.47922	0.3
300.99875	1.2
302.00247	0.5
353.57394	0.4
448.68222	0.4
496.51459	0.4
551.24957	77.1
552.25372	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	551.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51841	4.4
59.01254	81.7
63.03781	4.3
65.00195	5.1
67.01752	5.3
71.01247	52.1
72.99194	6.8
73.02824	8.5
85.02839	17.7
87.00733	7.9
89.02335	53.8
95.01261	10.5
95.04942	5.3
98.20576	9.2
99.00785	5.7
99.76811	4.5
101.02322	26.9
107.01274	15.7
111.00733	5.0
113.02319	17.3
115.49103	5.0
119.03384	21.7
123.00747	22.6
125.02346	72.2
135.04347	9.4
139.00290	7.8
141.01859	5.6
151.00279	19.8
151.03802	6.4
160.01564	8.1
161.04532	6.6
163.00267	7.8
168.00591	10.5
169.01338	100.0
170.01685	5.4
175.03900	5.5
209.00865	6.2
218.82132	4.5
244.47699	6.0
245.00854	5.6
271.04700	5.6
285.11221	7.4
298.08722	8.5
301.00034	40.1
311.09412	5.2
313.05585	6.1
325.10767	7.6
326.07858	7.6
341.10358	58.2
342.10666	9.2
356.12616	15.2
371.11023	7.4
371.14999	62.3
372.15225	6.1
387.14584	5.7
389.15250	8.0
399.12900	40.7
403.12396	20.9
404.12296	6.4
413.10907	26.9
439.18625	5.0
453.04156	6.5
551.19574	5.0
551.30865	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2499
Annotation	Fischeroside A
Peak:m/z	Relative Intensity
55.01753	0.6
59.01251	7.6
61.98697	2.1
65.00175	1.1
67.01746	0.8
68.10023	0.5
69.03344	0.9
71.01255	5.9
71.58069	0.9
72.99174	1.0
73.02809	0.9
75.00753	0.9
79.01797	0.5
83.01248	1.1
85.02822	1.9
87.00748	0.6
89.02316	2.2
95.01269	2.5
97.02827	1.1
99.00742	0.6
101.02316	3.4
107.01279	4.0
109.99979	0.7
111.00786	3.7
113.02309	1.9
119.03402	0.7
121.02834	0.7
123.00772	12.7
123.04363	0.5
124.01548	1.9
125.01434	1.0
125.02341	19.0
127.00262	1.7
136.98679	2.4
137.02303	1.1
138.01848	1.9
139.00279	6.2
139.02202	1.1
140.00160	0.7
140.01074	7.1
140.07051	0.5
141.01848	3.1
151.00287	8.8
153.01752	0.7
161.04439	0.7
168.00574	12.9
169.01340	24.5
169.02798	1.2
170.01666	1.3
177.01852	1.2
177.03949	1.9
181.01360	1.1
211.02466	6.2
271.04617	1.1
312.04681	0.6
313.05524	0.9
449.54428	0.5
494.29141	0.6
505.33890	1.7
551.25000	100.0
552.25275	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	551.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18222	1.1
57.03329	1.3
58.00459	5.5
59.01253	100.0
60.01575	1.8
62.16301	1.3
67.01766	1.9
71.01257	65.3
72.01621	1.4
72.99191	6.1
73.02830	3.5
83.01260	2.6
85.02838	10.2
87.00746	5.2
89.02320	88.6
90.02653	1.4
91.73593	1.2
95.01257	6.9
97.02790	1.3
99.00785	1.9
101.02328	39.4
102.02626	1.4
104.49405	1.2
107.01278	4.8
108.02075	1.9
109.02779	1.8
111.00747	1.3
113.02332	25.8
116.92776	7.6
119.03395	38.9
119.04247	2.2
121.02857	1.5
123.00771	8.8
123.67216	1.3
124.01571	1.2
125.02345	16.9
131.03389	4.7
132.02092	7.3
133.02831	3.0
134.03622	8.6
135.04430	2.9
137.02344	3.3
139.00250	3.5
140.01039	1.8
141.01836	1.8
143.03426	7.8
145.02844	3.1
149.02339	3.3
149.04449	2.1
150.03136	9.9
151.03947	1.6
153.01860	1.2
159.04405	1.8
160.01579	31.1
161.02405	7.0
161.04494	7.4
165.05449	9.0
166.99794	4.2
168.00536	3.9
169.01346	22.5
170.01782	1.7
173.05997	3.5
175.03925	35.4
176.04411	2.2
177.05450	3.0
179.03444	2.2
179.05519	15.7
183.02745	1.3
187.03941	4.7
189.05505	1.6
190.06239	2.8
191.07037	5.5
193.04935	8.5
195.06540	2.7
198.63506	1.2
202.06305	2.0
203.03296	1.4
205.04990	4.6
205.08601	1.6
211.02428	5.2
219.06554	1.7
220.07303	4.5
229.78487	1.5
235.09732	4.4
271.04614	5.8
283.09711	2.3
300.99887	8.1
302.00229	2.3
311.09256	4.6
316.65356	1.7
326.11725	2.3
329.17572	2.0
331.06363	1.6
337.09317	16.4
338.09531	2.5
341.13953	1.7
359.15094	2.9
371.10413	2.4
371.14954	30.1
372.15350	3.4
391.87296	1.7
415.11832	1.5
491.22937	3.5
503.15506	22.3
504.15692	5.2
551.17761	7.4
551.30902	6.1
552.18939	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	551.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	2.7
55.23989	1.4
57.03308	2.5
57.15614	1.5
58.00458	3.4
59.01252	58.5
60.31240	1.2
66.51074	1.4
68.92257	1.5
69.03320	2.0
69.29572	8.3
69.30007	5.7
71.01254	32.5
72.99186	4.0
73.02814	3.9
78.23553	1.4
83.01251	5.1
85.02814	11.1
87.00728	2.8
89.02319	23.0
95.01271	4.5
97.02840	2.2
99.00773	2.1
101.02325	23.0
107.01240	4.6
108.02052	2.1
111.00780	3.0
113.02346	9.2
119.03371	9.1
119.04851	1.4
123.00776	5.0
124.01540	3.2
125.02349	17.6
139.03928	4.8
145.02901	2.5
161.02361	2.7
161.04465	2.5
163.03799	1.6
163.29871	1.5
166.99750	3.6
169.01370	19.3
172.05190	1.4
173.06012	1.6
177.01830	2.1
178.18518	1.2
183.02942	1.2
183.73149	1.4
189.05524	2.5
191.06998	1.8
217.01468	2.0
217.08771	1.5
245.00771	2.4
246.92665	1.3
253.05177	2.1
255.06630	1.7
256.03641	3.9
257.04205	1.7
270.98727	1.6
271.06058	3.5
273.00534	1.6
275.01819	1.8
279.06799	1.7
283.06116	2.1
285.52963	1.2
295.06183	1.8
299.98904	2.3
300.02393	1.6
300.99930	17.0
302.00174	3.2
310.08395	1.8
311.09210	2.5
325.10770	3.7
326.07944	4.7
326.11441	1.9
329.10168	3.4
341.10364	9.7
343.11835	5.1
345.13452	1.4
356.12448	3.4
359.11340	18.9
360.11810	1.7
371.14932	5.3
374.13687	21.7
375.14081	3.2
389.16055	51.8
390.16400	5.5
452.03052	2.6
536.18884	3.1
551.21338	100.0
552.21771	18.1
552.30011	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2135
Annotation	Alangilignoside D
Peak:m/z	Relative Intensity
53.66850	1.0
55.01750	2.3
55.56282	0.9
57.03316	1.9
58.00483	1.4
59.01252	40.4
65.47049	1.0
69.89946	1.8
69.90339	4.0
71.01257	29.1
72.99187	3.7
73.02821	5.1
83.01272	3.9
85.02824	13.1
87.00745	1.9
89.02319	22.0
95.01270	3.9
98.19884	2.0
99.00758	2.1
101.02322	21.7
106.39898	1.0
110.77368	1.1
113.02332	11.4
119.03377	8.1
123.00758	1.6
124.01563	1.7
125.02338	4.6
139.03902	4.6
142.69603	1.1
152.12686	1.0
159.04395	1.9
165.05461	1.2
169.01364	6.3
172.05296	1.2
173.06017	1.9
190.06267	1.8
205.33624	1.3
253.05055	1.9
256.03702	2.4
271.06128	1.8
279.06921	1.4
283.06189	2.4
295.06161	3.8
298.08459	1.8
300.99930	4.0
302.00092	1.4
309.07660	1.3
311.09143	2.6
325.10837	2.3
326.07874	2.7
327.08792	1.2
341.10260	10.0
342.10883	1.8
343.11844	4.7
356.12634	5.3
357.13464	1.5
359.11304	16.4
359.15329	1.1
360.11844	2.9
371.14838	6.2
374.13666	24.3
375.14194	2.7
389.16064	63.4
390.16727	6.1
536.19360	1.7
551.21375	100.0
552.21741	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	551.1777
Annotation	Alboside I
Peak:m/z	Relative Intensity
59.01254	5.4
61.98700	0.9
67.01762	0.5
69.03313	0.4
71.01251	4.5
72.99195	1.0
73.02818	0.9
75.00748	5.0
83.01266	0.4
85.02827	1.2
85.90664	0.3
87.00771	0.5
89.02325	2.9
91.05473	0.3
95.01260	0.9
96.95908	0.6
96.96837	0.5
97.02858	0.4
99.00738	0.6
99.84925	0.4
101.02322	2.2
107.01289	2.4
107.04967	0.5
109.02820	0.5
111.00741	1.1
113.02359	2.0
113.63513	0.4
114.93293	0.5
116.92853	0.4
119.03374	0.9
119.04906	0.5
121.02818	0.9
123.00776	2.7
123.04428	0.7
124.01588	0.5
125.02338	9.2
126.02651	0.5
131.03490	0.5
132.02115	0.7
133.02850	1.0
134.03635	47.7
135.04001	1.6
137.02347	4.3
139.00256	1.3
139.03880	1.8
141.01740	0.4
145.02863	0.6
149.05991	18.8
150.03125	0.9
150.06419	0.8
151.00275	1.0
160.01631	2.6
161.02388	0.9
161.04457	0.8
163.00328	1.0
163.03972	0.4
166.99767	1.3
167.03456	0.5
168.00558	1.0
169.01340	13.3
170.01701	0.9
175.03934	12.7
176.04353	0.7
177.01779	0.5
178.02641	17.9
179.03065	1.1
179.05562	0.8
190.02606	0.4
192.04257	1.9
193.04994	100.0
194.05341	5.0
201.01860	0.4
207.06586	2.0
209.00789	0.6
209.08109	0.9
211.02428	1.3
217.01379	0.5
227.03488	0.6
235.05984	0.6
245.00816	0.6
251.05582	11.2
252.05890	0.6
255.03072	0.7
271.04541	1.6
273.00247	0.5
274.01309	0.5
285.04034	1.0
290.94553	0.4
299.99106	0.5
300.99899	6.9
302.00269	1.0
331.06833	0.7
359.20837	0.5
389.21924	1.2
390.22104	0.5
397.11392	0.5
415.12430	3.9
416.12921	0.5
453.03976	1.1
453.54245	0.7
493.17130	0.5
550.30212	0.5
551.18036	1.8
551.31036	2.4
552.18536	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1197
Annotation	Luteolin 7-(6''-p-benzoyglucoside)
Peak:m/z	Relative Intensity
57.03312	1.4
59.01251	12.3
60.56290	0.5
61.98703	4.9
65.00200	0.9
67.01743	1.1
68.99667	0.6
69.03310	1.4
69.48948	5.0
71.01255	8.2
72.99165	1.6
73.02806	1.9
75.00733	0.7
79.01737	0.8
81.11876	0.6
83.01272	3.1
85.02818	3.3
87.00724	0.8
89.02328	3.8
93.03330	1.1
95.01253	2.9
97.02797	1.8
101.02325	4.1
107.01265	5.7
109.02814	0.8
111.00778	3.2
111.95497	0.5
113.02316	2.3
117.03398	0.7
119.03366	1.1
119.04891	0.9
121.02837	0.6
123.00784	17.4
124.01549	1.9
125.02336	19.2
126.02638	0.6
127.00254	1.0
133.02861	4.0
135.04398	1.9
136.98770	0.8
137.02316	1.4
138.05507	1.2
139.00293	5.1
139.03894	1.2
140.01108	5.1
141.01863	3.3
145.02795	0.8
149.02353	0.7
151.00284	12.3
153.01889	0.8
155.07040	0.8
159.04424	1.0
161.02348	10.7
161.04466	1.3
163.03976	1.0
168.00583	5.9
169.01344	27.2
169.02797	1.3
170.01749	1.1
174.03125	0.6
175.03932	0.6
177.03960	2.4
177.05362	0.6
178.99817	0.6
179.03403	2.6
183.04460	1.7
185.06053	0.8
187.03973	0.7
188.82310	0.6
202.69737	0.6
207.64297	0.6
211.02371	2.5
211.04047	1.7
227.03464	77.1
228.03828	4.9
229.05017	2.1
255.02989	88.3
256.03558	12.8
257.04340	1.8
271.04642	1.7
284.03275	60.7
285.03976	21.0
286.04523	1.7
300.99872	2.6
309.04114	0.6
313.05673	1.3
327.05154	2.2
329.05148	1.2
329.17801	1.5
399.20270	1.9
429.08276	1.3
507.21970	3.0
521.23627	0.8
533.20319	0.7
550.32086	0.7
551.12128	88.3
551.25116	100.0
552.12396	14.0
552.25452	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	550.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.6
57.25610	0.2
59.01253	5.9
61.98709	3.4
71.01262	2.2
71.49743	0.4
72.99200	0.3
73.02824	0.7
75.00749	0.5
79.64875	0.3
83.01264	2.1
83.04904	0.5
85.02853	0.5
87.00744	0.7
89.02321	0.4
101.02332	1.2
107.04893	0.3
108.02059	12.8
113.02331	0.5
119.03361	0.4
120.01580	0.2
120.05752	0.3
121.02786	0.2
123.00765	0.7
125.02361	1.3
135.04388	0.4
136.73451	0.2
138.01874	100.0
139.00345	0.3
139.02223	3.2
149.05942	0.4
151.00320	0.3
161.04491	0.4
161.09627	1.3
161.13266	0.6
163.11215	0.5
168.00549	0.3
169.01350	1.1
187.11241	2.4
189.09184	1.3
203.10757	0.5
205.12297	0.9
207.10236	0.8
223.13348	1.8
229.12280	0.3
231.10248	0.8
249.11218	1.2
267.12402	2.0
273.11346	0.6
290.15616	0.2
291.12418	0.5
300.99808	0.3
315.12564	0.4
329.17609	0.7
333.13409	0.7
351.14520	0.7
411.16592	5.1
412.16876	0.6
430.03564	0.3
436.90491	0.3
550.18927	2.1
551.25385	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14793	0.2
57.03315	0.4
59.01254	4.2
61.98703	1.9
62.11544	0.2
69.03349	0.2
71.01260	1.3
71.58218	0.2
73.02813	0.5
75.00760	0.2
83.01260	1.5
83.04884	0.4
85.02810	0.5
86.66537	0.2
87.00762	0.7
89.02321	0.5
95.01270	0.4
95.04870	0.2
97.06451	0.2
97.27062	0.2
101.02322	1.3
107.04910	0.6
108.02058	11.2
109.02380	0.2
111.00787	0.3
113.02306	0.6
120.05717	0.3
121.02827	0.3
123.00766	0.4
125.02389	0.8
133.70042	0.2
137.02327	0.3
138.01872	100.0
138.05394	1.5
139.02237	2.6
147.08051	0.3
149.06061	0.2
151.00348	0.3
151.02684	0.2
160.01538	0.3
161.04507	0.4
161.09637	1.5
161.10809	0.2
161.13297	0.9
163.11174	0.2
168.00528	0.3
169.01352	1.2
175.03885	0.5
177.01810	0.2
187.11217	2.9
189.09111	1.8
203.10698	0.5
205.12265	0.9
207.10222	0.7
209.94107	0.2
223.13304	1.5
231.10300	1.0
249.11359	1.8
250.11382	0.2
267.12338	1.8
271.40604	0.2
273.11270	0.4
291.12378	0.6
309.13583	0.2
309.35077	0.2
315.12399	0.2
333.13422	0.7
351.14496	0.6
351.25406	0.8
352.25821	0.4
373.38919	0.2
411.16583	5.5
412.16959	0.6
550.18402	2.0
551.25787	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	4.2
57.03314	3.3
58.00457	2.6
59.01254	100.0
60.01563	1.5
61.98708	12.1
69.03336	1.5
71.01257	50.2
72.01571	1.5
72.99190	2.9
73.02821	15.4
74.84606	0.9
75.86636	1.1
78.95778	1.3
83.01264	8.8
85.02827	25.1
86.00009	1.4
87.00756	3.6
89.02325	11.3
92.31679	1.1
95.01274	4.4
96.95875	6.8
96.96838	1.8
97.02846	1.6
99.00764	8.6
99.84570	1.0
101.02328	46.9
111.00733	1.9
113.02332	20.7
114.80756	1.0
119.03405	3.1
122.75738	1.2
125.02351	1.9
131.03404	43.8
132.03767	1.4
143.03378	1.8
159.02936	4.4
161.04469	21.2
169.01360	1.6
279.01437	1.3
345.36551	1.1
357.22839	98.0
358.23196	10.1
401.21844	4.5
409.29086	1.4
434.91226	1.1
489.27121	9.5
489.34085	3.0
490.27716	1.7
549.31268	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	549.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02333	0.3
57.03317	0.5
59.01248	3.8
61.53913	0.3
71.01244	2.4
71.58215	0.6
72.99191	0.3
73.02810	0.7
85.02808	0.9
89.02311	1.5
91.05472	0.3
95.01285	0.8
95.04906	0.7
97.02829	0.5
99.00791	0.4
101.02338	1.5
105.03326	0.4
107.01270	1.3
111.00745	0.5
113.02308	1.2
117.03355	1.4
119.03366	0.5
121.02782	0.6
123.00773	1.2
123.04368	0.6
125.02344	3.6
132.02057	2.0
133.02849	31.5
134.03461	1.1
135.04417	7.6
137.02325	0.5
138.06781	0.9
139.00291	0.6
145.02824	0.6
151.00293	0.3
153.09108	2.2
155.06854	0.3
160.01552	0.5
161.02347	100.0
162.02682	4.6
163.00288	0.4
163.03931	0.7
165.05553	0.6
166.99744	0.6
168.00551	0.6
169.01320	4.5
175.03958	0.6
176.73631	0.3
177.05565	0.4
179.03421	5.2
189.01736	0.3
221.04443	0.6
225.15004	0.8
247.02419	0.4
274.61591	0.3
275.02069	0.6
287.18710	0.3
299.99158	0.6
300.99911	2.4
301.03201	0.6
301.19836	0.3
316.03455	0.6
418.82074	0.4
439.66461	0.4
533.38806	0.4
549.23419	64.7
550.15265	0.5
550.23688	10.3
550.31842	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89745	0.8
58.53227	0.8
58.62099	0.6
59.01257	7.3
65.00198	0.9
69.03368	0.7
69.61182	5.2
71.01257	6.0
72.99161	1.2
73.02793	1.1
76.48809	0.6
83.01262	0.9
84.02055	0.8
85.02798	2.2
87.00729	1.6
89.02341	3.4
93.03365	0.7
96.95911	1.0
101.02312	2.9
107.01263	2.7
109.02851	1.4
111.00787	1.7
113.02325	2.3
119.03396	1.3
121.02824	3.0
122.03592	1.0
123.00756	4.4
125.02325	10.8
133.02786	1.1
134.03647	1.1
135.04396	0.8
136.01563	40.0
137.02400	7.1
139.00269	1.9
145.02841	1.0
149.02339	1.1
150.03117	0.9
151.00284	11.7
151.03917	56.2
152.04317	1.6
161.02313	1.9
161.04425	1.5
163.00281	0.8
163.03877	1.2
164.04720	0.9
165.01851	1.1
166.02628	24.2
166.04010	1.5
166.99811	2.5
167.03227	1.7
169.01334	13.6
175.03960	0.7
175.07521	0.9
177.01865	2.0
178.02702	0.9
181.04984	35.8
182.05299	2.2
187.03911	1.3
189.05475	0.9
191.03380	0.8
193.04956	1.0
195.02902	0.9
203.03444	2.5
209.00871	0.9
218.05756	1.1
219.02788	1.1
281.92731	0.7
291.01709	0.8
298.98474	0.8
299.98959	1.0
300.99930	6.5
302.00305	1.6
307.08441	0.8
329.10355	1.8
339.08459	0.9
341.13968	1.2
357.09787	11.7
358.10074	1.4
369.13306	2.7
372.12177	7.7
387.14493	100.0
388.14832	10.0
523.15149	0.8
549.15344	0.9
549.20947	1.4
549.29486	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1617
Annotation	Liquiritin apioside
Peak:m/z	Relative Intensity
57.03317	0.4
59.01255	5.7
61.98700	1.5
63.02265	1.1
65.00191	3.0
68.99677	0.6
71.01254	3.5
73.02825	0.8
75.00767	0.5
81.03345	0.4
83.01266	3.2
85.02826	1.1
87.00761	0.4
89.02321	1.3
95.01274	0.8
97.02824	0.7
98.19779	1.3
99.00754	0.6
101.02336	1.7
107.01273	5.6
108.02105	0.8
109.02830	1.2
109.06543	0.5
111.00722	0.8
113.02345	1.0
119.04879	0.4
123.00787	1.2
125.02327	4.7
131.01297	0.4
133.02849	1.9
136.01573	0.7
136.98714	0.5
137.02345	1.5
139.00233	0.9
140.01070	0.5
141.06978	0.7
145.02823	0.5
145.06528	4.0
149.02296	0.6
151.00273	8.9
151.10037	0.4
152.00934	0.6
155.08449	0.4
155.10370	0.5
161.02347	2.5
164.01083	0.8
165.05539	0.7
166.99750	0.9
168.00529	1.5
169.01346	5.9
169.06508	1.8
171.04420	4.6
172.05142	1.2
173.06009	0.8
175.00334	1.3
175.03798	0.5
177.01747	0.6
183.08049	1.2
183.96770	0.4
187.07556	1.9
193.01233	0.4
193.06477	0.6
194.99219	0.7
201.01982	0.7
211.07574	6.1
212.07817	0.4
213.05524	4.4
214.99844	0.4
225.05557	0.7
227.07039	0.7
229.61673	0.5
247.02339	0.4
249.03812	0.4
255.06607	100.0
256.06912	8.0
269.08212	1.3
271.04672	0.7
275.01923	0.6
279.06598	8.1
280.07034	0.7
286.03897	0.4
297.07632	2.8
299.99054	0.6
300.99829	2.1
319.98376	0.6
387.27295	0.6
549.16046	7.3
549.23456	7.0
549.30548	0.6
550.16608	1.4
550.23993	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57202	0.6
55.17926	0.6
59.01046	0.5
59.01247	5.6
60.80726	0.6
65.00189	2.2
66.66668	0.6
67.45411	0.7
71.01259	2.4
72.99220	0.9
80.11327	0.7
83.01251	1.4
85.02821	1.3
85.95753	0.7
87.00739	1.1
89.02303	1.4
89.79721	0.8
95.01245	1.4
96.95910	1.6
101.02330	1.8
101.95150	0.7
107.01297	4.2
108.02034	2.0
109.02822	1.8
113.02305	0.8
119.03436	0.7
121.02865	2.0
123.00748	2.0
125.02355	7.0
135.00778	0.9
135.04417	0.7
139.00230	1.0
147.04431	0.7
148.01553	1.7
151.00284	9.0
151.03836	0.7
153.01816	0.8
161.02356	1.0
161.04485	0.7
163.00270	2.1
166.99742	1.0
169.01346	8.7
174.02951	0.9
175.03906	0.9
178.99760	4.4
189.01868	1.0
190.02589	0.8
199.03871	0.8
211.04018	1.5
215.03439	1.1
226.02733	1.8
227.03477	3.4
229.04948	0.8
243.02985	12.6
245.04474	0.9
254.02206	2.0
255.02982	28.3
256.03348	2.1
271.02463	60.7
272.02802	6.2
273.03943	0.9
275.02145	0.8
299.01929	2.9
300.02740	100.0
300.99872	3.6
301.03412	37.9
302.03818	1.8
454.50000	0.7
463.08817	14.9
464.09082	1.6
505.09778	6.2
506.10254	0.8
531.11395	14.8
532.11664	1.9
549.12512	52.9
550.12897	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	547.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92907	0.4
55.01758	0.8
57.03328	1.0
59.01255	6.3
61.98709	6.0
62.83139	0.4
69.39558	3.7
71.01256	5.6
72.99194	0.4
73.02824	1.6
79.26384	0.4
83.01288	0.9
85.02831	3.0
85.29167	0.3
89.02338	1.5
95.01292	0.6
95.10699	0.4
99.00749	0.9
101.02316	3.4
105.03362	0.5
113.02322	2.3
117.03366	1.2
118.24892	0.4
119.03371	0.4
125.02338	0.4
131.03351	0.5
132.02072	21.3
133.02916	3.2
134.03636	21.4
135.04251	0.6
137.02316	1.2
139.03961	0.5
149.05983	2.8
160.01578	96.4
161.01968	4.7
161.04543	0.8
169.01532	0.4
175.03932	100.0
176.04271	5.5
177.01895	0.5
178.02698	0.6
179.03395	1.1
193.05005	22.5
194.05365	1.1
209.15388	0.8
219.40797	0.4
256.29538	0.4
277.07367	0.4
355.21225	1.5
360.76971	0.4
394.18552	0.4
547.25494	92.4
548.25891	15.8
562.95801	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11724	0.3
59.01255	1.5
70.48688	1.1
71.01237	0.3
72.87796	0.3
77.03841	1.9
93.03323	0.3
96.57541	0.4
102.06873	0.3
103.36693	0.3
121.02842	100.0
122.03169	3.3
137.02377	0.4
140.88847	0.3
147.04346	0.5
165.01839	55.0
166.02179	2.2
180.05789	0.6
181.06503	2.3
197.06003	3.0
198.06589	0.3
207.04466	1.1
207.08052	0.5
223.03957	0.3
225.05515	1.7
257.09671	0.6
313.07187	1.8
357.06073	1.1
383.07782	0.5
417.09616	2.0
418.10120	0.4
505.11371	1.5
549.10376	23.2
550.10675	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	547.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.7
59.00952	1.0
59.01251	16.7
61.98690	1.7
65.00195	1.0
71.01252	8.2
71.58125	0.9
71.64355	0.6
72.99181	0.8
73.02806	1.4
73.64397	0.8
75.00751	1.2
83.01258	1.9
85.02815	3.4
87.00738	1.8
89.02327	5.4
93.03365	1.5
95.01264	1.7
96.95921	1.1
97.02847	0.7
99.00745	1.2
101.02332	4.8
107.01254	3.5
107.04874	1.3
109.02808	1.1
111.00742	1.3
113.02309	3.4
117.05455	1.5
119.03390	1.7
123.00778	2.7
125.02334	9.2
134.03563	1.4
135.00748	1.4
135.04413	2.0
135.06557	1.7
137.02310	1.3
139.00247	0.8
145.02821	1.0
149.05994	0.9
151.00267	3.1
161.02370	1.3
161.04536	1.8
161.09659	3.5
161.13277	1.0
163.00301	2.4
163.03923	1.0
166.99796	1.3
168.00516	1.0
169.01335	12.0
170.01607	1.0
173.04491	1.7
174.03152	0.8
175.03934	1.4
183.04492	1.5
185.06079	0.9
187.03822	1.0
187.11234	3.2
189.01772	1.3
189.09117	2.8
190.02638	3.1
190.99670	0.7
191.03413	1.6
191.05348	0.9
192.00542	1.2
193.01315	1.4
197.06006	0.9
199.03989	1.2
203.03520	0.9
205.12311	2.0
207.10226	1.4
209.00911	0.8
211.03929	2.7
217.01445	4.9
218.02135	2.2
219.02856	1.4
223.13312	2.5
224.13542	0.8
227.03464	54.6
228.03806	3.9
229.05096	3.7
232.82439	0.7
243.02943	2.0
245.00867	1.5
246.01703	8.8
247.02466	19.4
248.02611	1.2
249.11375	1.6
255.02971	84.7
256.03516	10.0
257.04535	2.4
267.12366	1.8
274.01236	0.7
279.10880	1.2
284.03271	100.0
285.03989	32.4
286.04489	1.7
297.11908	2.7
300.99805	4.1
303.40442	0.8
327.05185	1.3
341.06833	0.9
360.97815	0.8
367.04294	0.8
391.06549	1.2
429.08176	1.6
447.09174	1.8
484.19205	1.0
489.10352	26.3
490.10956	2.7
529.13617	8.2
530.14099	1.1
546.23816	0.9
547.14612	89.9
547.23590	16.1
548.14819	14.6
548.23108	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.2
57.03321	7.0
59.01251	47.7
67.01766	1.1
69.03340	2.2
71.01254	26.5
71.57848	1.3
73.02809	5.6
75.00751	2.4
77.94303	1.0
79.95613	1.0
83.01259	4.5
83.04897	3.8
85.02828	10.9
87.00751	9.8
87.04386	5.6
89.02319	18.5
93.03364	1.9
95.01272	2.8
96.95907	7.2
97.02843	1.2
97.06477	1.8
98.95473	4.6
99.00795	2.6
101.02327	18.0
105.06989	1.0
107.01363	1.1
107.04899	7.6
113.02316	9.5
117.03387	1.2
117.05473	4.9
119.03415	6.2
120.05695	3.7
123.00768	1.9
125.02348	3.7
135.04422	3.3
135.06519	16.7
135.11671	1.6
137.02374	1.5
143.03465	1.2
151.00298	2.4
152.04697	2.9
155.03473	1.9
157.06461	2.0
159.08057	2.4
161.02353	1.4
161.04442	5.6
161.09624	22.3
161.13261	9.8
163.11211	4.6
166.99774	1.5
169.01326	5.9
177.01981	1.3
179.05576	3.8
179.10626	2.7
187.11195	29.7
188.11545	3.1
189.09117	20.1
203.10767	2.9
205.12262	14.2
207.10184	8.4
217.01236	1.4
223.13438	1.7
231.10286	2.0
247.02425	4.0
249.11298	15.3
250.11545	1.8
267.12357	9.1
297.08548	1.5
297.11914	19.5
298.12384	1.4
403.16318	2.2
419.76248	1.2
479.96408	1.0
484.18033	1.1
503.21335	1.3
529.22443	2.9
547.24066	100.0
548.24335	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	547.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	5.3
58.00438	0.8
59.01254	39.2
69.37252	3.8
69.37678	3.5
71.01257	18.2
72.01570	0.9
72.99169	1.4
73.02818	4.4
79.05407	0.7
81.03331	1.3
83.01272	1.8
83.04905	4.0
85.02833	6.4
87.00758	7.4
89.02322	19.6
93.03305	1.2
95.01289	1.4
95.04906	1.4
96.95868	1.4
97.02827	1.0
97.06467	1.8
98.20551	1.5
99.00731	0.8
99.04389	1.0
101.02327	12.0
105.07021	1.0
107.01271	3.2
107.04932	4.7
109.06451	0.8
111.00783	1.2
113.02335	7.3
117.05475	1.0
119.03372	8.1
120.05699	3.1
123.00775	1.8
125.02346	8.0
131.03395	1.3
133.02852	0.8
133.10165	0.9
134.03601	1.3
135.04480	3.8
135.06549	7.2
135.08092	1.1
137.06050	1.0
143.03391	2.2
146.07259	0.9
147.07997	0.7
149.04456	1.1
151.00259	1.7
152.04677	2.5
159.04500	1.0
159.08014	1.1
160.01553	1.2
161.02367	1.1
161.04439	2.3
161.09636	15.2
161.13281	9.7
162.10019	1.2
163.00281	1.5
163.04022	1.1
163.11240	3.9
168.00540	0.9
169.01341	10.2
170.01691	1.1
173.04504	1.0
175.03897	1.9
179.03413	1.6
179.05553	4.0
179.10661	1.9
187.11214	22.7
188.11523	1.2
189.09134	15.1
190.09605	0.9
203.10683	1.5
205.12296	9.4
206.12498	1.2
207.10196	7.4
209.08180	1.3
223.13417	1.0
227.03464	12.8
228.03937	0.9
229.04959	1.1
231.10185	1.8
247.02490	1.0
249.11304	9.6
250.11494	0.9
255.02966	20.6
256.03482	2.9
257.04788	0.8
265.07227	1.0
267.12445	6.8
279.10559	1.0
284.03256	18.2
285.04004	15.7
286.04398	1.8
297.11899	13.0
300.99893	2.1
337.09259	2.4
484.19034	1.4
489.10303	1.3
529.13647	1.2
529.22955	0.8
547.14545	17.4
547.23883	100.0
548.14783	2.8
548.24176	15.7
548.31952	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	547.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	7.6
60.01599	0.3
61.98700	1.1
65.00204	0.4
71.01255	3.7
71.57767	0.6
72.36604	0.3
72.99128	0.3
73.02830	0.9
77.33586	0.3
81.62491	0.3
83.01272	0.6
85.02832	1.2
87.00748	0.8
89.02315	2.4
93.03352	0.5
95.01252	0.9
96.95876	0.6
97.02862	0.3
97.06474	0.4
99.81443	0.3
101.02335	2.5
101.05951	0.7
107.01276	1.2
107.70976	0.3
109.02878	0.6
111.00752	0.4
111.04381	0.4
113.02323	1.4
119.03352	0.5
119.04900	0.3
121.02887	0.4
123.00767	1.7
123.04426	0.4
124.01570	0.6
125.02325	4.6
131.03455	0.5
132.02089	1.1
133.02864	2.1
134.03683	0.6
135.04411	1.6
136.07516	0.4
136.98755	0.4
137.02351	0.9
139.00287	1.0
140.00954	0.3
142.19635	0.3
144.02031	0.4
145.02867	0.6
148.01486	0.3
149.02419	0.5
150.03058	0.4
151.00285	1.4
152.01097	0.4
155.07022	1.3
160.01582	1.0
161.02351	7.6
161.04475	0.9
162.02905	0.4
163.00189	0.5
166.99818	0.7
168.00471	0.4
169.01331	6.0
170.01775	0.5
172.01535	1.6
176.01024	0.7
177.01846	0.5
178.99767	0.4
179.03455	1.0
185.02359	1.2
188.01123	0.5
189.01843	0.7
191.03387	0.5
193.01176	0.4
200.01050	2.6
201.01859	1.0
216.00612	3.5
217.01218	0.5
220.62141	0.4
222.91420	0.3
226.99791	1.0
227.03447	0.6
228.00601	1.8
229.01350	2.7
242.99326	1.4
244.00075	3.7
245.00702	1.0
247.02216	0.5
255.03020	0.6
257.00937	1.5
257.04495	0.5
270.98804	1.1
271.04660	0.5
271.99615	2.5
273.00446	0.5
282.98947	2.1
283.89340	0.4
283.99609	1.5
284.02994	0.8
285.04031	1.2
297.12051	0.4
298.98413	1.4
299.99109	100.0
300.99847	70.4
301.06976	0.6
302.00241	5.3
331.08185	0.4
385.22043	0.4
413.49533	0.4
445.04080	1.1
547.10907	66.7
547.21570	5.3
548.11407	9.9
548.20831	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06264	1.1
55.01749	1.3
57.03316	4.6
59.01254	42.6
61.98687	2.0
65.00202	1.2
69.03333	1.2
71.01262	22.5
72.99173	2.2
73.02809	5.0
75.00751	1.9
79.01728	1.3
81.03326	1.9
83.01255	4.0
83.04902	3.0
85.02842	6.8
87.00768	5.5
87.23959	1.0
89.02321	19.9
91.23441	1.2
93.03345	2.2
95.01266	3.1
95.04929	1.0
96.95896	3.0
97.02821	1.2
97.06462	1.3
99.00710	1.6
99.04391	1.4
101.02335	14.0
103.03848	1.2
106.04118	1.6
107.01273	5.4
107.04907	3.7
108.02059	1.3
109.02840	2.3
111.00745	1.8
113.02339	8.8
115.03892	1.2
117.05514	1.4
119.03397	6.9
120.05701	2.2
123.00752	6.2
125.02359	14.9
126.02662	2.1
133.02802	1.1
134.03641	1.3
135.00745	1.4
135.04390	2.6
135.06566	7.1
137.02339	1.5
139.00275	2.8
141.01779	1.4
143.03436	1.3
145.02843	1.2
147.00891	1.0
151.00301	6.0
152.04712	2.1
153.01875	1.1
155.07080	1.4
158.20674	1.1
159.08075	1.2
161.02351	2.4
161.04465	3.2
161.09647	13.3
161.13275	5.1
163.00266	2.8
163.11157	3.5
166.99834	2.6
168.00471	2.3
169.01366	20.3
170.01643	2.3
173.02328	1.6
173.04443	2.9
175.03934	1.9
177.01810	2.1
179.05583	2.6
183.04434	2.4
187.03929	1.8
187.11227	15.6
189.09172	9.2
190.02715	6.7
191.03433	3.4
193.01250	1.0
193.04987	1.2
203.10751	1.3
205.12300	9.4
207.02995	1.2
207.10194	4.9
211.03955	2.8
217.01419	5.8
218.02293	5.1
219.02847	1.9
223.13332	2.4
227.03458	54.4
228.03790	3.0
229.01280	1.7
229.05005	3.7
229.12529	1.1
229.75926	1.2
231.10011	1.3
243.02888	4.4
245.00800	2.5
246.01685	17.0
247.02457	36.8
248.02847	2.4
249.11305	6.7
255.02982	81.5
256.03531	10.3
257.04642	2.3
267.12277	5.2
271.04596	1.4
275.01822	1.5
279.10901	2.4
284.03265	92.8
285.03995	34.5
286.04260	2.6
297.11935	10.0
299.99207	3.0
300.02414	1.3
301.00006	8.6
301.03168	1.9
385.05478	1.9
391.06461	1.6
415.09595	1.2
429.07736	1.3
447.09167	3.0
453.63058	1.1
463.06247	1.3
484.18979	1.5
489.10419	21.9
490.10574	2.7
529.13568	6.6
529.22198	2.4
547.14508	100.0
547.23846	83.8
548.14789	13.6
548.24237	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	545.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.0
57.03317	2.9
59.01251	100.0
61.98702	4.0
69.03314	1.4
71.01252	41.0
71.56697	2.1
72.99181	2.2
73.02818	11.5
75.00727	1.8
83.01249	7.6
85.02824	18.9
87.00760	1.6
89.02324	6.8
95.01281	3.8
96.95894	2.2
99.00757	5.3
101.02328	29.7
108.99165	1.6
113.02330	17.7
125.02303	8.0
138.15408	1.3
143.03391	1.9
159.02896	3.8
161.04472	30.9
161.05818	1.7
169.01363	7.3
306.24969	1.4
485.31216	93.1
486.31726	15.4
545.16583	1.9
545.28546	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	1.7
58.00469	1.1
59.01252	100.0
60.01574	1.1
61.98700	2.1
62.64698	0.7
69.03310	1.2
70.86241	1.5
70.86604	1.6
71.01253	32.8
72.99160	1.6
73.02815	8.0
80.67097	0.8
83.01254	3.1
85.02825	15.2
87.00766	2.2
89.02319	14.9
89.13171	0.8
95.01252	2.3
96.95879	1.4
99.00765	4.2
101.02325	28.9
109.92885	0.9
110.73919	0.7
113.02332	15.2
119.03397	7.2
124.14027	0.8
125.02351	2.0
125.09626	2.0
129.01782	0.9
134.59901	0.7
141.01855	0.8
143.03416	3.6
149.21719	0.7
159.02907	4.0
161.04469	25.2
169.01248	1.5
179.05479	3.6
187.09634	1.5
205.03439	0.9
289.18097	1.2
300.99744	0.9
308.19400	1.0
323.25882	1.3
347.02231	0.9
349.97067	0.9
428.24240	0.9
431.22894	1.0
485.31183	82.9
486.31677	10.3
545.26477	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	1.6
57.03308	1.6
58.00441	1.2
59.01253	26.7
59.61458	0.9
61.98704	8.0
69.03316	1.5
70.33047	2.2
71.01261	15.4
72.99181	1.9
73.02827	2.1
83.01263	1.8
83.04909	1.1
85.02827	4.8
87.00769	1.4
89.02330	14.6
96.95855	2.4
97.06502	1.3
99.00808	1.3
101.02328	15.2
111.08040	18.3
111.42860	0.9
113.02345	7.8
119.03399	3.3
123.00826	1.1
125.02354	2.4
131.03345	1.2
136.01566	2.6
143.03410	1.9
151.03976	1.1
153.12762	2.1
161.04468	7.9
166.66249	1.0
169.01346	2.6
169.12267	8.7
179.05533	3.2
179.10675	1.2
183.13834	1.5
197.11783	99.6
198.12219	5.6
199.13397	5.5
209.11789	1.1
211.13351	12.3
225.14809	1.4
227.12830	3.1
249.14981	1.0
253.09264	51.5
254.09618	2.1
263.20233	5.0
265.18073	3.0
272.49722	0.9
273.18604	1.2
291.19653	27.3
292.19995	2.1
300.99915	1.4
309.20706	100.0
310.21082	7.4
401.77405	1.0
435.23318	1.1
485.30756	1.3
545.28589	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	545.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15047	1.7
55.44997	1.5
59.01253	29.9
67.46723	1.3
71.01253	5.0
71.57180	2.7
76.47865	1.2
83.04922	2.0
85.02833	1.5
89.02318	4.0
96.95870	3.1
97.14856	1.5
101.02333	4.2
103.09858	1.5
112.39755	1.5
113.02328	2.5
146.40590	1.3
189.00449	1.3
196.04370	1.4
196.06169	1.4
197.98637	1.4
200.49095	1.6
249.18568	100.0
250.18831	6.7
253.09222	16.2
309.20654	2.3
381.14841	1.7
400.86273	1.8
525.27869	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.8
57.03310	1.3
58.00471	1.2
59.00949	1.4
59.01249	25.3
61.98704	9.6
69.03323	2.2
71.01255	16.9
71.56963	0.8
71.57360	1.0
72.99188	0.9
73.02826	3.4
78.31100	0.7
81.96371	0.7
83.01265	2.0
83.04900	1.3
83.87828	0.7
85.02827	5.2
87.00750	2.5
89.01759	1.1
89.02313	13.5
93.07011	0.7
95.01260	1.9
96.27466	0.7
96.95895	2.3
101.02323	15.1
101.02928	1.4
109.06453	0.7
111.08040	18.1
113.02335	8.7
119.03399	4.0
123.00687	0.9
125.02331	2.1
127.07541	1.6
131.03291	0.9
136.01544	0.9
139.07472	0.7
143.03410	0.9
151.03873	1.5
151.11203	1.5
153.12704	1.2
161.04460	7.7
169.01279	1.5
169.12257	6.0
175.03957	0.8
179.05531	3.1
181.12297	2.2
193.12280	0.8
197.11766	83.2
198.12064	4.4
199.13304	6.2
211.13329	10.0
227.12798	1.8
235.08267	1.0
253.09267	50.0
254.09541	2.0
263.20129	5.8
265.17984	2.1
273.18616	1.8
291.19666	30.5
292.20090	1.9
303.57321	0.8
309.20697	100.0
310.21051	8.5
505.53070	0.8
545.26599	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	545.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.1
59.01253	100.0
60.01589	9.4
61.01678	3.9
61.98709	10.3
71.01257	11.9
73.02826	2.1
83.01258	1.5
85.02824	4.4
87.00758	0.8
89.02318	5.1
92.88778	0.7
95.01272	1.7
99.00777	1.7
101.02328	8.0
113.02341	4.8
117.03339	1.2
119.03435	0.8
121.06572	0.7
125.02393	1.3
131.03426	1.9
132.02069	17.6
133.02867	2.5
134.03641	24.3
135.04428	1.3
137.09663	3.4
147.04416	2.6
148.05190	1.2
149.06006	5.0
160.01582	70.0
161.01941	3.7
161.04474	5.4
169.01314	1.0
173.05991	1.2
175.03941	59.0
176.04657	5.8
177.01929	1.2
177.05624	1.1
178.02678	2.9
179.03358	1.2
179.05656	1.2
182.17044	0.7
185.12099	0.7
191.07114	9.4
193.05002	38.4
194.05421	1.6
207.06612	2.5
216.92725	0.7
217.05074	2.5
235.06087	40.9
236.06488	2.7
247.06041	0.9
265.07175	27.0
266.07809	0.7
287.83618	0.7
295.08228	45.5
296.08569	2.4
355.10443	5.0
484.29956	4.0
485.30212	5.8
504.35049	0.8
545.24695	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	545.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	3.7
58.00459	1.1
59.01252	70.0
69.15412	0.9
69.87100	1.2
69.87428	6.7
71.01257	22.4
71.04896	2.0
72.99199	2.1
73.02830	2.5
83.01279	4.5
83.04902	2.2
85.02842	4.7
87.00774	5.8
89.02319	6.9
95.01257	1.7
96.95908	3.3
101.02345	8.0
107.01295	3.2
107.04928	3.1
111.00783	1.2
113.01588	0.9
113.02331	5.2
115.00265	12.4
118.68207	1.3
118.87788	1.0
119.03407	2.2
120.05689	1.6
123.00764	6.8
125.02349	13.0
131.03413	1.3
133.01285	5.5
135.04466	2.2
139.00331	1.7
140.01035	1.6
151.00307	4.0
161.04486	1.8
161.09613	9.4
161.13292	4.8
163.11250	2.6
165.13457	1.1
168.00583	2.1
168.17316	1.1
169.01340	15.4
187.11229	12.4
189.09181	5.6
203.10640	1.4
205.12303	5.0
207.10265	4.4
223.13356	45.0
224.13789	4.3
231.16081	4.1
247.59344	1.0
249.11353	4.8
267.12372	100.0
268.12750	7.0
295.10336	1.5
301.00000	2.6
308.88394	1.1
309.13544	2.2
369.15674	3.7
375.20483	3.1
393.21304	23.8
393.25894	1.6
394.21951	2.6
429.17670	36.0
430.18301	4.5
471.19412	1.6
483.18597	1.4
527.21606	4.5
545.22662	44.5
546.23334	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	545.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73170	1.1
59.01254	66.8
69.03326	1.1
69.31773	1.2
69.32053	11.9
71.01256	24.6
73.02821	2.3
82.90940	1.2
83.01261	3.7
85.02812	2.2
87.00745	4.5
89.02313	9.6
96.95906	1.3
97.06473	1.3
99.00746	1.8
100.92543	1.1
101.02312	4.0
107.01242	1.0
107.04932	7.5
107.05516	1.2
111.00760	1.4
113.02334	5.2
115.00272	15.5
119.03390	3.8
120.05671	2.7
123.00748	1.2
125.02321	2.1
133.01331	5.7
135.04373	1.4
139.00235	1.5
150.03136	1.4
151.00264	1.6
152.04695	1.3
159.08015	1.8
159.11682	1.2
161.04413	1.9
161.09631	10.4
161.13252	5.7
163.11186	2.2
166.99687	1.7
168.00577	1.4
169.01358	2.7
187.11221	19.3
189.09151	5.9
203.10730	2.4
205.12215	5.8
207.10213	3.4
223.13351	59.3
224.13667	2.8
247.02402	1.8
249.11363	5.6
250.11404	1.1
267.12381	100.0
268.12735	9.0
271.06177	1.5
275.01904	1.3
309.13391	2.5
369.15723	2.1
429.17657	25.3
430.17911	3.5
462.09656	1.4
509.10031	1.2
519.07648	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10465	4.2
57.03320	6.3
59.01249	54.1
61.98708	16.3
63.53894	3.7
65.00188	4.0
67.01698	3.4
68.99692	11.3
69.31298	3.8
71.01247	30.7
71.57742	7.1
72.99164	5.5
73.02837	5.9
81.03374	4.0
82.38795	4.7
83.01255	7.6
85.02819	9.3
87.00750	5.7
89.02318	12.1
93.77789	4.0
95.01277	9.4
96.95897	8.2
101.02323	12.6
104.86150	4.3
107.01267	14.5
109.02850	12.7
111.00753	7.7
113.02328	16.0
121.02843	4.5
123.00777	26.5
125.02336	100.0
126.02646	4.4
127.00208	5.0
137.02313	5.8
139.00266	17.3
140.01033	6.5
147.00780	16.8
147.04478	3.9
147.06657	4.7
151.00270	12.3
153.05447	17.7
161.02328	4.8
163.00247	8.8
164.01088	5.0
166.99803	6.3
168.00539	14.0
169.01344	79.1
171.04498	5.1
175.04012	9.6
180.13203	4.0
187.03969	5.4
199.03908	4.6
203.03484	4.2
211.02411	35.8
211.04121	5.0
217.05092	4.5
223.13339	14.5
227.03448	5.6
229.04941	5.6
238.13365	4.9
239.03223	4.8
241.05070	5.1
255.02972	17.1
256.03653	5.7
257.04501	8.7
267.12375	30.7
268.03790	10.1
271.02292	5.5
271.04626	50.7
283.02451	14.1
284.03271	63.8
285.04074	81.4
299.05389	5.2
300.99847	16.2
301.03232	7.6
313.06030	4.8
365.10272	15.7
381.09518	11.4
382.10428	31.7
383.11307	39.2
429.17676	7.9
447.09216	50.8
448.09848	5.5
448.22467	4.5
481.17191	75.9
482.17752	8.3
544.23273	15.4
545.22253	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	543.317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.7
57.03312	0.5
59.01252	100.0
60.01587	1.3
61.98693	0.6
66.77574	0.2
67.41579	0.3
69.03338	0.4
70.91599	0.7
71.01255	8.1
73.02826	3.1
74.51809	0.3
83.01271	1.1
85.02834	3.4
87.00756	0.3
89.02345	0.9
95.01297	0.6
97.02839	0.3
99.00774	1.4
101.02325	6.0
106.31644	0.3
111.00820	0.3
113.02337	3.5
125.02354	0.8
143.03429	0.7
159.02940	1.2
161.04468	6.9
163.82137	0.3
169.01379	0.4
230.70030	0.3
243.06648	0.6
289.18280	0.5
303.23389	0.5
321.24420	0.6
345.33099	0.3
483.29654	12.8
484.30014	2.2
528.75500	0.3
543.16730	0.3
543.24506	0.6
543.31976	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92196	0.3
56.07409	0.3
57.03331	1.0
59.01252	100.0
60.01581	1.0
61.98692	0.8
62.34055	0.4
66.99795	0.4
68.99676	2.2
69.03349	0.5
69.39019	0.7
69.39426	2.2
71.01254	7.0
73.02821	3.4
80.87933	0.3
81.03372	0.5
83.01274	1.5
83.04923	1.0
85.02818	2.8
87.00764	1.2
89.02316	1.9
95.01308	1.2
96.95914	0.4
97.02855	0.4
99.00761	0.7
101.02325	4.8
103.03902	0.5
107.01276	1.5
107.04928	0.5
111.00773	0.6
113.02341	2.9
119.03426	0.5
119.04996	0.4
123.00758	2.5
124.01578	0.5
125.02348	4.9
127.07602	0.4
131.03424	2.2
139.00291	0.8
140.01057	0.5
141.01823	0.4
141.09941	0.4
143.03424	0.4
143.07027	0.6
145.02863	0.7
151.00340	1.5
153.05470	3.1
159.02940	0.9
161.04480	5.2
161.05862	0.6
161.09700	1.3
161.13318	0.6
163.11304	0.4
168.00609	0.8
169.01343	5.7
174.97122	0.4
187.11201	2.1
189.09218	1.1
205.12265	0.6
207.10207	0.4
211.02412	0.7
221.96089	0.3
229.05055	2.5
230.05241	0.5
249.11441	1.6
271.04865	0.6
285.00497	0.6
293.08914	0.8
296.49213	0.4
297.97705	1.5
300.99915	0.8
305.39630	0.3
312.99948	3.5
313.05890	1.0
314.00488	0.7
328.02255	3.8
329.02847	0.5
330.02878	0.4
343.04553	7.3
344.05069	1.3
345.05133	0.7
381.22873	0.5
448.61264	0.3
483.29675	4.8
484.30099	0.6
491.08844	0.4
543.11804	3.6
543.23914	5.3
544.12341	0.7
544.24316	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17202	0.4
53.65246	0.4
59.01252	100.0
60.01588	0.9
69.37894	1.5
69.38324	2.1
71.01254	5.6
73.02831	1.8
83.01279	0.7
83.81695	0.4
85.02811	3.1
85.54764	0.3
92.86208	0.5
98.19761	0.8
99.00764	0.9
101.02325	4.2
113.02333	3.3
120.52565	0.4
136.60722	0.5
143.03448	0.4
157.42313	0.4
159.02963	0.6
161.04468	6.9
162.04907	0.5
163.13748	0.5
170.04836	0.5
252.76698	0.5
316.31351	0.4
339.21588	0.5
431.66019	0.4
483.29617	12.8
484.29999	2.0
543.31750	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54224	1.0
52.97029	1.1
53.19267	1.1
55.01755	2.5
57.03328	2.1
58.75740	1.1
59.01252	100.0
60.01576	1.9
61.98696	11.3
71.01256	34.7
71.58195	1.3
73.02818	12.5
74.45677	1.2
75.00734	1.2
83.01257	4.2
85.02827	14.6
87.00739	2.7
89.02319	11.6
95.01263	5.1
96.95885	2.9
99.00745	4.0
101.02321	30.8
107.01221	1.7
113.02341	16.5
119.03378	4.1
123.00780	2.4
125.02366	6.5
131.03395	1.5
143.03374	2.2
159.02878	3.2
161.04454	14.1
166.99905	1.4
169.01335	7.4
179.05493	2.0
185.02277	1.4
228.86652	1.1
242.54842	1.3
271.17239	1.7
273.18723	3.3
275.19989	1.3
277.21640	3.3
287.20245	2.9
289.18121	5.3
300.99884	2.8
303.19772	3.3
305.21490	1.9
321.20724	23.7
321.24527	1.5
322.21033	3.4
335.22302	1.2
345.20676	2.3
363.21832	1.7
381.22772	13.3
382.23193	1.4
473.22437	1.4
477.28528	1.8
483.29581	26.2
484.30072	3.5
505.33676	1.5
543.28094	78.4
544.28455	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	543.2815
Annotation	Pharboside C
Peak:m/z	Relative Intensity
54.44288	0.4
55.59344	0.4
56.79958	0.4
57.03248	0.7
58.00668	0.4
59.01148	18.2
59.01483	4.4
59.83594	0.4
61.98594	2.8
61.98941	0.7
69.40701	4.4
71.01148	7.0
71.01586	1.3
72.99100	0.9
73.02708	4.5
73.03149	0.6
75.00677	0.5
77.66293	0.4
79.39455	0.4
83.01196	0.8
85.02701	2.7
87.00670	1.1
89.02195	3.6
95.01157	0.8
96.95805	1.1
99.00673	0.9
101.02193	5.9
104.07360	0.5
113.02191	4.5
119.03269	2.0
121.46885	0.4
123.00678	1.0
125.02196	1.4
143.03308	1.0
160.01462	0.6
161.04495	2.9
169.01363	2.2
175.03923	0.4
179.05370	1.4
189.48914	0.4
213.12756	0.6
215.14310	0.7
243.13875	4.1
245.19046	0.8
248.30766	0.5
257.15369	1.7
257.18927	1.9
259.20544	0.5
271.17084	3.2
273.18594	6.7
275.20056	1.6
285.18530	1.8
287.16550	1.3
287.20096	4.6
289.18100	6.8
290.18311	1.0
293.12711	0.7
301.18039	0.5
303.19730	5.7
305.21210	5.3
306.21564	0.6
329.17126	0.6
331.19266	0.7
333.20792	2.7
335.22302	4.2
347.18475	1.0
347.22305	0.9
349.20056	1.9
363.21872	2.6
381.22827	100.0
382.23145	11.5
391.21432	3.4
395.24454	0.5
423.24072	2.6
483.29639	3.8
484.30060	0.7
507.22806	0.5
543.28320	19.8
544.28326	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	543.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.5
55.86006	0.6
57.03324	2.1
58.00465	0.9
59.01254	70.7
60.01596	0.6
61.98704	13.8
69.03334	1.1
70.45097	1.3
70.45482	1.5
71.01256	27.8
72.99198	2.2
73.02818	6.7
75.00741	1.7
76.96729	0.7
83.01255	3.8
85.02830	9.3
87.00757	2.3
89.02319	13.9
95.01287	2.5
96.95909	2.3
99.00764	2.2
99.75190	0.6
101.02329	19.2
102.02691	0.8
103.72677	0.7
107.01295	1.1
111.00742	1.0
113.02334	10.8
113.05955	0.7
119.03384	4.5
120.74851	0.6
123.00726	3.7
125.02343	6.0
125.03153	0.9
132.02118	0.8
134.03636	4.3
136.98735	1.0
139.00275	1.0
140.01035	1.1
141.01773	0.8
143.03477	0.8
149.05986	1.3
151.00331	2.0
153.05524	0.8
159.02934	2.0
160.01550	3.5
161.04466	6.8
168.00629	1.4
169.01341	8.1
175.03955	4.1
176.04709	1.3
178.02606	0.8
178.99707	0.9
179.05615	0.8
187.11258	0.8
191.07108	1.6
193.05013	4.0
211.02493	1.2
235.06108	4.3
257.19220	0.8
261.04187	1.2
265.07205	2.6
271.04584	1.3
271.17062	3.9
273.18738	1.9
287.20331	3.1
289.18204	2.8
293.12643	0.8
295.08234	4.0
301.00043	1.7
303.19739	2.0
305.21469	1.6
351.18268	5.7
363.21829	5.0
381.22818	15.8
382.23166	1.6
405.21234	0.9
483.22562	2.3
483.29938	5.2
525.24432	1.0
528.13098	0.8
543.28339	100.0
544.28680	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	543.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.9
57.03321	2.7
58.00473	1.1
59.01254	100.0
60.01590	1.0
61.98706	7.8
67.01752	0.8
69.03304	1.1
71.01255	37.4
72.66829	0.8
72.99184	2.3
73.02819	12.7
74.21254	0.7
75.00746	1.0
80.96389	0.8
83.01265	6.4
83.04932	0.9
85.02832	19.9
87.00764	3.2
89.02323	11.0
95.01276	3.0
96.95904	2.2
97.02834	2.1
99.00770	5.6
101.02327	32.2
107.01281	1.8
111.00784	1.6
113.02328	14.2
119.03436	1.9
123.00801	3.9
125.02345	10.0
129.01866	1.0
131.02463	1.6
131.03398	21.3
139.00255	1.2
140.01030	1.7
143.03416	2.9
143.37759	0.7
149.04491	2.2
151.00258	1.6
153.05487	0.7
159.02971	2.1
161.04478	23.7
162.04822	1.2
166.99869	0.8
168.00533	1.1
169.01332	9.4
175.04062	0.9
179.05489	1.0
203.03224	0.9
211.02466	0.8
229.46364	1.1
268.24701	0.8
271.04663	2.3
289.84155	0.7
293.12411	1.7
300.99838	2.8
351.18127	61.3
352.18481	6.3
395.17130	1.3
398.56573	0.8
463.28055	0.9
483.22363	9.8
483.29669	7.1
484.22873	1.3
527.28357	1.0
531.04852	0.9
543.15070	1.3
543.24280	19.9
543.31573	1.7
544.24603	1.0
544.32434	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.2
57.03324	3.9
58.00474	2.5
59.01252	100.0
61.98702	8.7
65.93367	0.8
66.44017	0.9
67.01753	1.0
68.99697	1.6
69.30743	9.0
71.01256	40.5
71.04883	0.9
72.99186	3.1
73.02823	14.5
75.00756	1.2
78.95753	0.9
83.01258	4.0
83.04907	2.5
84.02033	0.9
85.02817	11.2
87.00761	6.2
89.02322	43.0
93.03352	1.5
95.01266	2.7
96.95892	3.7
96.96857	1.1
97.06453	1.8
97.35208	0.8
99.00742	2.7
101.02325	23.3
103.03906	1.6
107.01289	1.6
107.04932	2.9
111.00783	2.2
113.02331	12.3
119.03406	5.9
120.05742	1.2
123.00775	5.0
125.02335	6.6
126.90376	1.2
127.07571	1.3
129.01866	1.6
131.03397	43.2
132.03746	0.9
135.04347	1.4
137.02351	2.0
139.00259	1.5
140.01180	1.1
141.01889	0.9
143.03444	1.8
143.07077	1.0
149.04465	32.3
151.00285	2.0
151.71698	0.9
152.04689	1.0
153.05482	1.7
161.04524	5.4
161.09660	9.0
161.13203	5.1
163.11211	2.2
168.00592	1.2
169.01334	9.6
171.06566	6.2
173.04514	2.7
179.05554	2.7
187.11208	11.1
188.11545	1.1
189.09149	6.4
191.05542	18.0
205.12244	7.6
207.10193	3.4
223.13324	1.4
249.11250	6.8
251.07666	1.7
267.12357	4.7
271.04636	1.8
293.08755	6.2
293.12411	3.0
300.99982	2.3
311.09799	1.5
319.91827	0.9
325.97290	1.1
331.19238	1.0
373.39352	1.3
381.22986	2.8
398.28467	1.1
436.24228	1.0
525.23511	1.1
531.48248	1.1
542.97839	1.2
543.19965	31.6
543.28394	4.1
544.20599	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	543.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.2
57.03333	2.9
58.00484	1.4
59.01252	100.0
61.98700	1.3
65.00220	1.1
67.01772	2.5
68.99680	5.2
69.03326	7.3
69.41589	7.6
71.01256	38.3
72.99195	2.3
73.02821	7.6
75.00760	1.3
76.82915	0.8
79.01765	1.7
80.85132	0.7
81.03356	2.1
83.01261	8.4
83.04921	2.5
85.02827	17.7
87.00753	5.5
87.04427	2.3
89.02318	18.1
89.02820	1.5
93.03345	1.4
95.01260	6.4
95.04902	0.8
96.95930	3.1
97.02863	1.9
97.06519	0.9
99.00807	3.1
99.04430	0.8
101.02324	22.9
107.01283	9.2
107.04963	1.0
109.02906	0.9
109.06521	3.6
111.00784	5.1
111.04455	3.2
113.02327	16.7
114.02801	0.9
115.36147	0.7
119.03389	11.0
119.04097	0.9
121.02859	0.9
121.06477	0.7
123.00767	24.0
123.04462	1.7
124.01617	1.8
125.02338	36.0
125.03207	1.8
125.05981	1.2
126.02691	1.4
127.00360	1.5
131.03458	3.6
135.04480	1.4
136.98766	1.5
137.02365	2.0
139.00252	8.5
140.01038	5.4
141.01909	3.4
143.03510	2.4
143.06993	0.8
147.04477	1.2
149.02420	0.8
149.04416	1.4
151.00272	12.6
151.04025	1.3
153.01945	1.2
153.05504	5.7
154.99817	1.2
155.07048	12.2
155.08167	1.0
159.02930	0.9
161.02394	1.2
161.04440	6.1
161.05698	0.8
161.09702	1.7
163.00366	3.3
165.01926	1.1
165.05588	2.1
166.99890	2.7
168.00555	6.5
169.01338	40.0
170.01788	2.5
173.04547	2.4
173.09756	0.9
174.01740	1.1
175.03966	1.3
175.11307	1.0
179.03429	1.2
179.05518	5.3
185.93314	0.9
189.12856	2.0
191.03502	1.3
195.06670	1.1
201.12947	0.9
210.32260	0.7
211.02449	1.9
216.41537	0.8
219.14029	1.0
229.16110	1.2
231.14003	1.7
241.16060	2.0
247.17026	1.0
249.14975	2.7
259.16971	5.1
261.15201	2.2
271.04855	2.7
273.00464	1.2
273.15170	1.4
275.02191	2.0
277.18369	1.9
285.15161	3.2
291.16211	2.0
299.99240	1.3
300.99960	10.4
301.18164	1.0
302.00552	1.4
303.16003	12.5
304.16486	1.1
305.22937	0.9
313.05936	1.1
321.17078	25.7
321.20660	1.6
322.17691	2.7
327.16229	1.8
339.18335	2.9
345.17017	4.6
363.18466	3.6
373.18747	0.9
380.09131	1.5
381.10034	1.4
391.19684	5.6
423.20407	1.0
469.17844	1.1
483.15582	1.7
483.22342	51.4
484.22684	6.6
543.24823	62.5
544.25214	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	541.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.7
57.03318	3.4
58.21767	1.1
59.01253	91.6
61.98697	7.1
71.01256	49.8
72.01627	1.1
72.99179	2.5
73.02825	15.9
75.00758	1.2
83.01269	8.0
85.02826	21.9
87.00759	3.3
88.60448	0.8
88.88609	0.8
89.01755	1.3
89.02317	19.8
95.01261	4.0
96.95897	2.4
97.02818	1.2
98.19788	2.5
98.85284	0.8
99.00779	7.4
101.02325	38.1
107.01256	1.5
107.04902	1.3
111.00714	1.5
113.02337	21.1
114.02552	0.8
119.03387	6.9
123.00763	4.0
125.02369	6.9
129.01791	1.6
129.05457	2.7
139.00304	1.2
143.03348	2.6
151.00273	1.1
159.02899	5.7
161.04471	39.1
161.05827	2.1
161.09598	1.3
162.04871	1.0
168.00558	1.5
169.01329	5.1
175.03940	1.3
179.05551	5.5
187.11188	1.8
189.09126	1.3
205.03564	1.1
205.12219	1.2
249.11185	1.4
293.57108	0.9
300.99835	2.6
309.11884	1.2
319.22910	4.5
325.06470	0.9
349.16714	1.3
363.21967	1.4
379.24774	1.5
389.21848	2.3
481.28058	100.0
482.28403	15.1
541.22876	19.8
541.30042	2.0
542.23187	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	541.3153
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
59.01243	68.8
61.98716	20.8
69.93436	68.4
71.01263	29.5
85.76962	11.8
95.62208	11.5
101.02332	16.2
125.02330	27.5
151.00278	21.1
169.01343	22.5
200.04878	13.4
212.62334	10.3
245.90607	12.8
301.00027	15.9
330.25864	13.7
505.33954	50.3
535.93134	11.3
541.23163	52.6
541.31561	100.0
542.32233	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	541.3016
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
55.01759	2.7
57.03318	3.4
58.21767	1.1
59.01253	91.6
61.98697	7.1
71.01256	49.8
72.01627	1.1
72.99179	2.5
73.02825	15.9
75.00758	1.2
83.01269	8.0
85.02826	21.9
87.00759	3.3
88.60448	0.8
88.88609	0.8
89.01755	1.3
89.02317	19.8
95.01261	4.0
96.95897	2.4
97.02818	1.2
98.19788	2.5
98.85284	0.8
99.00779	7.4
101.02325	38.1
107.01256	1.5
107.04902	1.3
111.00714	1.5
113.02337	21.1
114.02552	0.8
119.03387	6.9
123.00763	4.0
125.02369	6.9
129.01791	1.6
129.05457	2.7
139.00304	1.2
143.03348	2.6
151.00273	1.1
159.02899	5.7
161.04471	39.1
161.05827	2.1
161.09598	1.3
162.04871	1.0
168.00558	1.5
169.01329	5.1
175.03940	1.3
179.05551	5.5
187.11188	1.8
189.09126	1.3
205.03564	1.1
205.12219	1.2
249.11185	1.4
293.57108	0.9
300.99835	2.6
309.11884	1.2
319.22910	4.5
325.06470	0.9
349.16714	1.3
363.21967	1.4
379.24774	1.5
389.21848	2.3
481.28058	100.0
482.28403	15.1
541.22876	19.8
541.30042	2.0
542.23187	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	541.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00716	0.3
59.01254	13.0
61.98705	1.9
70.44759	1.6
71.01262	4.6
72.99184	0.4
75.00751	0.8
79.48727	0.4
85.02824	1.3
87.00751	0.6
89.02328	3.2
90.86895	0.4
95.01273	0.6
96.95918	1.0
98.20548	0.4
99.70409	0.4
101.02321	2.8
113.02326	3.6
119.03380	1.8
123.00755	2.0
125.01557	0.4
125.02362	2.8
139.00264	0.6
151.00269	0.7
161.04497	2.0
166.99792	0.4
168.00592	0.5
169.01328	2.6
179.05522	1.0
211.02428	1.2
219.13885	1.6
271.04697	1.1
275.20099	2.5
300.99826	0.8
303.19662	31.6
304.20026	2.9
329.17551	7.4
330.17923	1.1
345.20645	1.6
347.18430	1.0
361.20212	4.5
379.21255	100.0
380.21640	11.4
384.45630	0.4
389.19586	1.4
421.22211	3.1
422.22620	0.5
505.33533	0.6
511.65463	0.4
541.13916	0.9
541.26709	7.6
542.26514	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91702	0.4
57.03316	0.7
57.32971	0.4
58.00454	0.5
58.77956	0.4
59.01255	13.0
61.98693	1.9
64.17038	0.4
65.00191	0.4
66.92540	0.4
67.01765	0.8
69.03310	0.9
71.01257	5.1
71.02113	1.0
72.99180	0.7
73.02821	1.3
74.58104	0.4
75.00755	0.4
79.01759	1.2
81.03312	0.6
83.01254	1.3
83.04902	0.5
84.44716	0.4
85.02818	2.0
87.00756	1.0
87.04382	0.5
89.02323	3.1
95.01262	2.8
95.78735	0.4
96.95909	0.5
97.02818	0.9
99.00779	0.6
99.04423	0.6
100.44271	0.4
101.02307	2.7
107.01277	4.7
108.02074	0.4
109.02811	1.2
109.06473	0.7
111.00755	2.8
111.08012	0.5
113.02338	1.8
119.03385	0.8
119.52051	0.4
121.02850	0.5
123.00775	15.3
124.01550	1.0
125.02340	21.2
126.02674	0.9
127.00222	0.6
129.01826	0.6
130.55479	0.4
135.04387	1.2
136.98694	1.9
137.02348	0.8
139.00272	4.4
140.01073	3.1
141.01865	2.1
151.00276	9.2
152.00970	0.9
153.01836	1.1
153.09099	1.2
155.07043	0.8
161.02483	0.6
161.04372	0.8
161.09631	1.2
161.48213	0.4
163.00235	0.5
166.99712	0.9
168.00587	5.2
169.01349	28.6
170.01680	1.4
175.03909	0.9
187.11246	1.1
189.01677	0.5
189.07539	0.6
189.09200	0.6
197.11665	0.5
205.12320	0.8
211.02426	8.2
227.03464	0.5
241.03297	0.4
241.10783	1.1
270.98907	0.4
271.04602	7.7
272.04950	0.6
275.02020	1.3
281.04578	0.4
285.04144	1.0
291.10849	0.6
299.99075	0.6
300.99942	2.8
301.03000	0.5
307.08066	0.4
313.05756	1.6
316.83206	0.4
366.76053	0.5
379.10327	0.5
511.21878	7.5
512.21924	1.2
541.22937	100.0
542.16290	0.8
542.23279	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	541.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.4
57.03313	0.5
58.67690	0.4
59.01251	6.7
61.98692	0.4
67.01763	0.9
68.99688	0.6
69.03320	0.9
71.01253	3.7
72.99188	0.8
74.15268	0.3
79.01767	0.6
83.01257	0.8
85.02838	1.1
87.00738	0.4
89.02331	1.8
91.05424	0.4
95.01286	1.8
97.02833	0.7
98.19713	0.5
99.00742	0.4
100.14951	0.3
101.02325	1.9
107.01271	4.4
109.02848	0.7
109.99998	0.4
111.00763	2.4
111.08019	0.4
113.02328	1.2
113.12875	0.3
119.03391	0.7
121.08259	0.4
123.00773	12.8
124.01556	1.5
125.02342	22.9
126.02647	0.7
127.00255	0.7
133.02779	0.5
136.98709	1.2
137.02327	0.6
139.00272	3.5
139.03850	0.5
140.01080	3.1
141.01862	1.8
145.02924	0.6
149.02322	0.6
151.00276	7.8
151.03709	0.4
152.00882	0.4
153.05521	0.4
153.09085	1.3
155.07045	1.3
161.02327	0.7
161.05925	0.4
163.07629	0.4
165.01898	0.9
166.99792	0.5
167.03438	0.9
168.00568	6.5
169.01337	29.7
170.01666	1.7
187.00525	0.5
188.04698	0.5
201.01865	0.5
203.03465	0.4
211.02425	17.2
212.02747	0.6
214.06374	0.5
229.01341	0.7
229.66924	0.4
241.03575	0.6
242.99283	0.4
245.00952	0.4
257.00879	0.7
258.01563	0.4
270.98828	0.7
271.04605	16.5
272.04883	1.0
273.00217	0.4
273.11374	1.2
275.01950	0.9
275.12906	0.6
280.51962	0.4
298.98459	0.4
299.99048	1.1
300.99875	6.8
301.03165	0.5
302.00266	0.9
308.40140	0.4
313.05664	1.0
319.11859	1.2
331.06961	0.7
370.35327	0.4
541.22955	100.0
542.23328	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	541.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.6
57.03320	0.9
58.30389	0.5
59.01250	10.3
61.98706	2.0
67.01766	1.1
68.99682	0.7
69.03310	1.1
71.01264	4.9
71.57655	0.6
71.58009	0.5
72.99187	1.1
73.02807	1.8
75.00748	0.6
75.08788	0.4
79.01763	1.3
83.01261	2.0
83.34090	0.4
85.02834	3.1
85.06483	0.5
87.00747	0.7
87.04401	0.8
89.02306	1.4
95.01264	3.7
96.85904	0.4
96.95901	1.9
97.02831	1.0
98.03626	0.5
99.00758	1.0
101.02321	3.4
107.01276	6.5
107.04924	0.6
108.02068	0.5
109.02823	0.7
109.06467	0.5
111.00769	3.9
113.02319	2.0
121.02802	0.6
123.00770	18.5
124.01514	1.5
125.02338	22.0
125.05943	0.5
126.02647	1.2
127.00240	1.5
135.04413	1.6
136.98688	2.4
137.02351	0.7
139.00258	6.4
140.01051	5.0
141.01837	2.7
148.05252	0.4
151.00273	12.1
152.00732	0.5
153.01834	1.4
154.99835	0.5
155.07053	1.6
161.04437	1.0
165.01714	0.4
166.99791	2.6
168.00551	4.4
169.01343	25.0
170.01659	1.9
175.03879	0.8
179.03484	0.6
183.04407	0.6
185.05794	0.4
187.03857	0.8
193.01520	0.5
211.02419	1.7
223.13353	0.5
224.42952	0.5
227.01329	0.8
227.03468	11.3
228.03723	1.1
253.03656	0.5
255.02965	12.7
256.03503	1.8
271.04681	2.0
271.07266	0.5
275.01978	0.5
284.03235	7.0
285.03992	5.0
291.11041	0.5
300.99857	3.3
313.05557	1.0
465.07535	0.5
478.14313	4.2
479.14700	0.5
523.21655	0.7
541.10803	9.9
541.22858	100.0
542.10016	1.9
542.23236	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	541.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.8
58.00462	2.3
59.01251	100.0
63.80228	1.7
63.90712	1.5
65.03844	2.4
69.03320	1.8
71.01253	15.5
73.02820	3.5
83.01275	1.9
83.04913	3.0
85.02832	5.2
87.00734	2.6
89.02325	4.6
91.05411	7.6
93.03344	10.4
93.06982	3.7
95.01274	3.5
95.04928	2.1
97.02853	3.7
99.00766	2.4
101.02318	10.1
107.01259	7.6
107.01913	2.0
107.04893	10.7
107.20791	1.6
109.06464	10.7
111.00771	2.6
111.08062	6.4
113.02355	8.6
117.03354	2.9
117.06953	2.1
119.03407	3.3
119.04895	4.2
121.06445	2.2
123.00777	6.6
124.01654	1.8
125.02346	18.7
133.06497	6.9
137.05998	4.3
139.00266	2.8
139.07544	7.3
140.01062	3.2
149.05916	2.6
150.03119	3.1
151.00307	4.9
151.07558	6.1
152.00798	1.5
153.01852	1.8
155.07047	68.1
156.07436	3.4
161.02298	3.1
161.04498	4.4
161.06007	6.0
163.00230	2.5
163.07574	10.5
165.05397	1.9
166.06229	2.3
166.99756	3.3
168.00569	3.1
169.01343	23.7
170.01689	3.9
173.02396	2.2
173.06067	4.0
179.07129	3.4
181.08578	2.9
189.01918	2.4
191.07001	3.3
197.08203	9.7
209.08185	3.3
211.02528	3.1
212.02840	2.0
213.02879	1.9
227.03519	1.7
229.04977	2.4
255.03038	3.2
259.28708	1.8
270.98880	2.5
271.04602	5.4
272.05182	2.8
273.05078	3.6
275.01917	2.7
284.03351	3.3
285.04016	8.5
299.99435	1.9
300.99915	15.3
301.03232	2.6
302.00333	2.0
346.06409	2.0
454.18854	1.6
541.22601	19.8
542.23145	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	541.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34590	0.4
55.01755	0.5
57.03326	0.4
59.01249	4.3
65.00199	1.6
67.01763	1.6
68.99687	1.7
69.03316	0.6
71.01257	4.4
71.57761	0.9
72.99174	2.6
79.01741	0.5
83.01263	2.2
85.02821	1.0
87.00773	1.2
89.02340	1.2
93.03347	0.5
95.01272	1.9
96.95855	0.5
96.99196	1.0
97.02856	0.6
99.00770	1.4
101.02338	1.8
101.57728	0.4
106.00498	0.4
107.01299	2.6
109.02863	0.8
109.06476	0.4
109.99993	2.0
111.00768	15.0
111.04437	0.4
113.02327	1.1
123.00771	5.6
124.01578	5.5
124.98743	0.5
125.02335	10.4
126.02672	0.7
127.00256	5.7
135.04439	0.5
136.01546	0.4
136.98708	10.0
137.02342	0.8
139.00270	14.6
140.01057	23.5
141.01443	0.9
151.00276	3.0
151.03944	0.4
152.15027	0.4
154.99796	1.7
155.07079	0.5
161.04442	0.5
163.00247	0.7
166.99815	1.9
168.00557	29.4
169.01337	15.7
170.01646	0.9
175.03925	0.4
178.99821	0.4
191.03395	0.4
193.01413	0.5
197.26465	0.4
201.01807	0.5
203.03339	0.4
207.85367	0.4
211.02370	2.0
214.99823	0.4
229.01477	0.5
230.02124	0.4
271.04556	2.6
275.02048	0.7
299.99060	0.7
300.99884	2.5
301.03571	1.5
302.00433	0.5
318.22781	0.4
389.18277	1.3
410.93570	0.4
465.06879	0.7
497.24158	0.9
523.18378	0.6
541.22968	100.0
542.23395	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	541.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.3
59.01257	2.3
60.84804	0.2
64.88525	0.2
67.01764	0.7
69.03334	0.3
71.01260	2.0
72.99185	0.7
73.02833	0.4
79.01745	1.0
82.00484	0.2
83.01278	0.9
85.02836	1.2
87.00770	0.3
89.02318	0.5
95.01253	1.5
96.99164	0.2
97.02850	0.8
99.00790	0.3
101.02329	1.1
107.01264	2.7
109.02871	0.2
109.99978	0.3
111.00745	1.5
113.02325	1.0
123.00771	13.1
124.01638	1.1
125.02341	12.6
125.03083	0.2
126.02705	0.4
127.00266	0.7
135.04503	0.2
136.98735	1.4
137.02338	0.3
139.00282	3.7
139.07515	0.3
140.01050	2.7
141.01830	2.4
151.00276	8.3
151.03894	0.3
152.00529	0.3
153.01859	0.7
155.10693	1.1
163.03963	0.3
166.99803	0.5
168.00566	3.0
169.01341	18.3
170.01717	0.9
177.03975	0.4
179.03363	0.3
188.07884	0.2
205.69937	0.2
211.02475	1.3
223.02518	0.2
227.16510	0.4
253.03548	0.4
271.04617	0.9
300.99753	0.3
313.05588	1.4
541.22894	100.0
542.23230	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	539.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.9
55.72309	0.8
57.03318	2.3
58.64315	0.7
59.01253	63.4
61.98700	1.8
70.20444	0.8
71.01259	25.3
72.99175	2.9
73.02818	12.0
73.13998	0.9
75.00742	0.9
75.13375	0.8
83.01252	7.2
85.02824	18.7
85.79630	0.9
87.00754	1.4
89.02334	3.1
91.41111	0.9
92.15163	0.9
95.01252	2.2
96.95866	2.4
99.00759	6.1
101.02325	37.1
113.02338	14.0
125.02318	1.5
129.01779	0.9
131.03391	39.4
132.03696	1.0
135.30034	0.9
143.03365	1.5
159.02902	2.0
161.04475	12.3
169.01350	1.1
203.03619	1.0
205.03476	1.1
229.46918	1.0
342.76373	0.9
347.24387	100.0
348.24722	12.4
391.23328	3.6
479.28741	8.7
496.17984	1.1
539.31671	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	541.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.7
59.00959	0.7
59.01254	11.2
61.98711	1.3
67.01775	1.0
68.99688	1.2
69.03317	0.9
71.01254	4.7
72.99174	1.1
73.02828	0.7
78.74310	0.6
81.03271	0.9
83.01242	1.3
83.04907	1.1
85.02818	2.7
87.00759	1.4
89.02281	1.5
89.17880	0.7
93.03319	0.8
95.01261	2.3
97.02832	0.8
98.19804	2.1
99.00785	0.7
101.02325	3.1
107.01257	5.6
107.04926	1.3
111.00751	2.3
113.02312	2.3
119.03376	1.2
123.00741	5.8
123.04419	0.9
124.01577	0.8
125.02341	18.9
125.05939	1.3
126.02668	1.4
135.04352	1.2
136.01616	0.9
136.98756	1.6
137.02339	1.1
137.05965	0.9
139.00264	3.4
140.01051	5.3
141.01823	1.4
145.02921	0.8
149.02354	1.2
151.00282	4.1
151.03900	2.3
153.05464	1.8
155.07014	2.8
161.02382	0.8
161.04411	1.3
166.99747	3.0
168.00568	5.5
169.01343	24.7
170.01657	1.8
175.03940	1.0
193.01323	1.2
211.02347	1.3
229.01419	1.4
229.24866	0.7
229.55881	0.8
245.00775	0.8
247.02415	0.9
257.00815	1.5
269.98053	8.0
270.98730	1.7
271.04617	1.8
273.00323	1.5
275.01953	2.2
282.98822	0.9
283.99646	1.2
285.00427	8.4
285.03564	1.6
289.07068	2.8
297.97559	29.4
298.98206	2.3
299.01678	0.8
299.99094	1.3
300.99988	7.4
301.03455	1.5
302.00211	1.3
312.99887	51.9
314.00314	5.7
328.02237	53.8
329.02634	7.4
343.04562	100.0
344.04892	9.0
491.08124	4.1
523.21808	1.1
541.19720	19.2
542.19263	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	5.2
59.01253	65.9
61.98705	32.4
71.01253	34.5
73.02837	7.0
73.13886	4.5
78.68812	4.6
85.02805	8.8
86.06703	4.2
89.02312	18.8
101.02330	25.3
109.26157	4.6
109.77336	4.4
113.02359	7.5
119.03427	6.3
123.00766	8.4
125.02309	6.7
135.73264	4.6
151.49892	4.1
161.04428	10.1
169.01303	9.5
174.25879	5.0
228.70894	4.7
229.81410	5.4
269.76932	4.4
273.18594	6.7
285.14844	26.6
301.18170	22.1
343.19235	8.5
359.18478	12.7
377.19629	100.0
378.19873	15.4
387.18152	8.0
503.32434	47.3
539.30560	47.1
540.30908	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	539.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.6
57.03330	3.4
58.00466	1.0
59.01255	17.2
61.51345	0.3
61.98689	0.4
69.03328	0.6
71.01257	15.1
72.99182	0.9
73.02817	5.1
75.00742	0.5
75.74673	0.3
76.94051	0.4
81.03316	0.5
83.01270	2.9
83.04894	1.2
85.02826	8.3
87.00751	1.1
89.02321	4.5
93.07002	1.5
95.01265	1.4
95.04893	0.5
97.02818	0.8
98.76455	0.3
99.00764	1.3
101.02331	10.5
105.06962	0.4
107.01270	0.6
107.04906	0.7
109.06478	2.5
111.00766	0.4
111.08057	2.6
113.02333	6.0
117.03358	0.7
119.03408	1.6
119.04912	0.6
121.06474	1.0
123.00758	0.5
123.08064	3.5
125.02365	2.5
125.05984	1.3
133.06453	0.8
137.05946	1.5
139.07545	2.3
151.11134	0.4
155.07051	15.3
156.07327	0.6
161.04465	1.6
161.05968	1.1
161.09608	0.7
169.01341	2.6
177.12772	4.9
178.13269	0.4
179.06956	0.3
195.13797	2.2
197.08167	0.7
221.11812	2.9
300.99777	0.4
357.19104	0.5
401.18149	4.4
402.18884	0.4
539.24988	100.0
540.25385	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	539.286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01593	0.9
61.98707	1.2
71.01255	11.2
71.34423	0.7
71.34741	0.7
73.02829	1.8
73.46281	0.5
75.00761	1.3
83.01275	0.7
85.02822	3.6
87.00781	0.6
89.02316	7.6
95.01298	0.8
99.00767	1.0
101.02328	5.8
109.06504	0.5
113.02308	4.7
119.03378	2.2
122.28569	0.4
123.00684	0.4
125.02376	0.8
131.03432	0.5
134.10364	0.5
143.03413	0.6
159.02898	0.6
161.04465	5.9
179.05606	1.9
197.09613	0.5
243.17345	0.4
247.78368	0.5
281.19235	0.8
299.20169	9.6
300.20663	0.8
316.51892	0.5
317.21204	1.6
319.41046	0.5
479.26743	2.0
539.24768	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.4
57.03322	7.7
58.00474	1.4
59.01253	40.2
60.23561	1.3
61.98714	6.8
65.00201	1.3
67.01770	2.3
68.99687	9.0
69.03323	3.0
71.01253	38.3
71.06912	2.6
72.99200	4.7
73.02822	12.3
75.00749	2.6
79.01765	1.9
81.03328	3.6
83.01250	7.0
83.04903	16.8
85.02824	21.1
87.00758	4.4
87.04388	2.8
88.54788	1.4
89.02316	13.5
89.76106	1.1
91.05413	1.8
91.41271	1.2
93.03355	4.4
93.06988	2.4
95.01267	9.3
95.04916	1.6
96.95868	1.9
97.02846	3.9
97.06470	3.1
99.00752	4.5
101.02316	27.5
107.01276	19.1
107.04893	2.9
109.02826	2.4
109.06512	6.4
111.00783	4.7
111.04424	2.9
111.08019	3.2
113.02336	12.5
113.05964	1.5
113.66450	1.3
117.03326	2.0
119.03402	4.8
121.02855	2.0
121.06561	1.3
123.00766	18.4
123.08044	5.7
125.02339	52.3
125.05966	5.0
126.02705	2.3
127.03886	1.8
131.03430	2.0
133.02856	1.4
135.04422	1.3
135.08073	2.3
137.02342	3.5
137.05977	1.7
139.00250	4.6
139.07565	3.1
140.01067	3.2
141.01804	2.9
143.03506	1.8
143.07053	9.4
145.02898	3.1
147.04454	1.5
149.02333	4.4
149.04427	1.6
151.00319	8.5
151.03819	1.5
151.07539	2.0
153.05457	9.9
153.09131	2.1
153.19977	1.3
155.07053	24.2
160.01576	2.9
161.02338	4.1
161.04446	5.9
161.05870	2.8
161.09634	3.4
163.00278	3.5
163.03891	2.2
165.01794	1.6
166.99684	5.8
168.00580	9.3
169.01343	75.1
170.01680	4.5
171.06548	29.5
171.07993	1.8
173.02325	1.4
175.03944	3.2
177.01799	1.5
177.05623	1.5
177.12723	7.8
179.03413	1.8
179.05589	1.6
179.10681	1.6
187.00294	1.3
187.11201	1.6
189.01859	2.5
191.03484	2.0
195.06609	2.2
195.13835	1.6
197.08194	1.8
201.01871	2.8
203.03432	1.7
205.12260	1.7
209.00919	1.4
211.02364	2.6
211.13260	8.4
213.07564	4.7
214.99779	2.2
217.01373	4.3
221.11781	7.1
229.01302	2.7
242.99330	1.5
243.08630	2.3
245.00877	4.2
247.02454	3.9
248.02841	1.5
249.03761	1.3
253.09271	1.4
255.03075	1.8
267.12378	2.0
270.98849	3.6
271.04608	3.6
271.99286	1.7
273.00397	5.2
273.09702	8.3
274.01007	1.6
275.01913	4.5
285.04083	4.6
287.01779	1.2
298.98187	2.8
299.99152	4.7
300.99866	10.1
301.03427	3.4
313.05716	1.6
333.11859	4.2
377.25366	2.8
397.05518	2.9
401.18228	14.1
402.18680	2.0
437.53012	1.7
443.41699	1.4
451.52664	1.6
477.14072	2.2
479.32120	5.4
500.06094	1.9
500.56165	2.5
501.06439	2.0
539.25568	100.0
539.32977	8.9
540.24829	17.3
558.13617	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2136
Annotation	Erizomycin
Peak:m/z	Relative Intensity
55.01765	0.4
56.68868	0.3
57.03309	0.4
59.01250	6.5
65.00191	0.5
67.01756	0.9
68.99682	0.7
69.03326	0.8
71.01257	4.8
72.99181	1.2
73.02826	1.3
75.00727	0.5
79.01762	0.9
83.01263	1.6
85.02826	1.9
87.00729	0.7
88.98699	0.3
89.02326	1.7
90.34812	0.4
95.01278	2.1
96.10188	0.3
97.02847	1.3
98.20564	0.6
99.00732	0.7
101.02330	3.4
107.01277	5.2
109.02831	0.5
111.00777	2.1
113.02307	1.5
119.03358	0.6
123.00772	13.9
124.01557	1.2
125.02335	21.6
126.02644	1.0
127.00297	0.7
136.56519	0.4
136.98660	1.7
137.02318	0.7
139.00272	3.8
139.03889	0.4
140.01064	4.7
141.01868	2.0
149.02354	0.4
151.00287	7.5
151.03906	0.8
153.01814	0.9
153.05424	0.9
154.99731	0.4
161.02309	0.6
161.04492	0.5
163.00259	0.6
165.01822	0.5
166.99765	1.2
167.03413	0.8
168.00562	5.8
169.01341	29.7
170.01653	1.5
171.06569	0.5
175.03983	0.6
177.01767	0.4
181.04942	0.4
191.03479	0.4
209.00699	0.4
211.02423	15.4
212.02808	0.4
217.01396	0.8
231.15877	0.4
232.16403	0.6
241.03500	0.5
245.00832	0.7
247.02580	0.6
271.04584	19.4
272.04916	1.3
273.00378	0.4
275.01846	0.6
299.99261	0.6
300.99850	2.1
302.00345	0.4
303.21713	0.5
313.05524	1.6
331.06766	0.8
387.13074	2.5
447.26007	0.6
465.26709	0.4
533.22369	0.4
538.33228	0.6
539.14777	4.2
539.21320	100.0
540.14600	0.7
540.21637	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	539.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.7
59.00992	0.7
59.01256	9.8
65.00198	0.7
67.01755	1.0
68.99663	0.5
69.03316	0.9
71.01257	6.8
71.57523	0.5
72.99176	1.0
73.02814	1.9
75.00713	0.7
79.01752	1.0
81.03317	0.7
83.01256	1.8
85.02827	2.6
87.00761	1.1
89.02312	3.5
91.21639	0.5
93.03356	0.6
95.01259	4.1
97.02820	1.0
99.00800	0.8
101.02314	5.7
107.01282	6.6
111.00780	3.3
113.02330	2.3
119.03378	1.0
123.00768	22.4
124.01570	1.8
125.02340	27.4
126.02679	0.6
127.00262	1.4
131.03424	0.5
136.98692	1.4
137.02312	1.0
139.00273	5.3
140.01091	4.7
141.01823	3.1
143.83282	0.5
145.02824	0.6
149.02351	0.6
149.04480	0.7
151.00272	12.3
151.04019	0.6
152.00662	0.6
153.01823	1.2
154.99712	0.8
161.02332	0.7
163.00253	1.1
163.03925	1.0
165.01846	0.7
166.99760	1.9
168.00571	6.4
169.01347	37.4
170.01668	1.8
177.01840	0.8
179.03458	0.8
189.01694	0.7
191.03511	0.8
203.03537	0.6
211.02507	2.8
217.01451	0.7
225.14990	0.7
229.01361	0.6
245.00815	0.9
247.02391	1.0
270.98840	0.7
271.04602	2.7
273.00339	1.3
275.01938	1.0
291.93289	0.5
299.99097	1.3
300.99927	3.9
302.00305	0.7
303.98416	0.5
305.50806	0.5
313.05652	1.8
328.33643	0.6
333.19003	0.6
384.44052	0.5
387.12933	9.8
388.13144	1.4
403.02533	0.5
446.42435	0.6
490.46021	0.7
539.21344	100.0
540.21729	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01734	0.3
57.03322	0.9
59.01252	5.2
65.00182	0.7
67.01749	1.2
68.99701	0.3
69.03325	0.5
69.66171	2.0
71.01260	4.1
71.28850	0.2
72.99181	0.9
73.02808	1.1
76.67696	0.3
79.01759	1.0
83.01254	0.8
85.02824	1.2
86.09809	0.3
87.00778	0.5
89.02309	1.5
95.01276	2.5
97.02822	1.2
98.19766	0.3
99.00727	0.5
101.02326	1.9
103.03870	0.3
107.01270	4.6
107.04904	0.4
109.99980	0.4
111.00764	2.4
113.02341	1.5
119.03365	0.5
123.00775	17.9
124.01531	1.2
124.02393	0.3
124.02792	0.2
125.02341	22.0
126.02682	0.7
127.00259	1.2
129.36182	0.3
136.98688	1.5
137.02422	0.4
138.06766	1.1
139.00279	4.7
140.01082	3.1
141.01834	2.9
143.03371	0.4
151.00278	13.2
151.03812	0.3
152.00676	0.3
153.01801	0.7
153.09126	2.9
159.10143	0.5
163.03845	0.5
163.06010	0.9
165.05476	0.3
166.99609	0.4
168.00562	4.3
169.01340	28.6
170.01700	1.0
177.03911	0.6
179.03403	0.5
181.05051	0.5
193.01320	0.3
193.05006	0.3
207.13690	0.3
209.04575	0.4
211.02423	3.0
223.02461	0.7
225.14880	1.1
244.15045	0.2
253.03435	0.7
271.04581	2.6
291.53961	0.3
313.05676	2.4
479.30209	0.7
539.21326	100.0
540.21680	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	539.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00505	3.8
59.01252	100.0
59.11397	3.8
61.98698	46.0
68.72809	4.0
71.01254	42.0
71.58237	9.2
75.00739	15.0
80.96384	5.5
85.02831	18.2
87.00768	7.4
87.04394	5.7
89.02289	23.9
96.95884	7.0
97.06469	5.9
101.02335	31.9
102.47578	4.1
104.67382	4.4
108.02025	4.9
113.02345	12.4
119.03429	7.2
125.02331	16.6
131.03313	5.5
136.24255	4.2
161.04449	10.4
167.07071	5.0
169.01350	17.2
209.22533	4.5
271.04675	5.7
317.21188	6.1
479.26251	8.1
514.33545	4.8
539.24286	10.2
539.31763	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70787	1.0
55.01744	1.4
58.00457	4.7
59.01252	100.0
60.01567	1.2
65.65378	1.0
69.69870	7.3
71.01255	60.8
72.01583	1.5
72.99197	4.7
73.02823	1.8
76.22568	1.0
83.01271	1.6
85.02829	10.6
85.03311	1.5
87.00755	6.2
89.02320	83.3
90.02616	1.3
95.01272	3.8
101.02327	28.3
108.02057	1.3
113.02329	21.5
117.17157	1.1
119.03395	30.5
119.54180	0.9
121.02858	4.0
122.03641	1.7
123.04430	2.2
126.35905	1.0
131.03406	3.4
133.02913	1.2
143.03404	4.0
145.02834	3.2
149.02338	3.4
149.04437	3.1
150.03134	8.1
158.82849	1.1
161.02377	3.3
161.04472	4.2
162.03142	32.7
163.03500	1.0
165.05490	6.4
166.06267	12.7
177.05495	24.9
178.05782	1.6
179.05553	9.4
180.04199	2.4
181.08618	4.5
195.06485	4.9
227.79053	1.0
329.13782	1.3
491.19290	3.9
538.20746	1.1
539.20929	1.4
540.22009	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	539.2138
Annotation	Erizomycin
Peak:m/z	Relative Intensity
55.01754	2.4
57.03308	2.4
59.01247	14.5
61.01592	0.9
65.00185	2.4
65.06644	1.0
67.01763	8.3
68.99675	2.3
69.03316	1.6
71.01254	9.9
71.38451	1.9
72.99197	1.4
73.02812	3.7
79.01759	2.0
83.01255	6.7
83.04896	1.6
85.02834	6.1
89.02337	2.2
90.99477	1.0
95.01257	23.1
96.99201	1.5
97.02823	4.4
99.00764	2.2
101.02317	4.6
107.01272	9.8
111.00771	30.4
111.08020	1.2
112.01118	1.1
113.02364	5.5
123.00776	36.9
125.01443	2.2
125.02340	36.2
126.02709	1.1
127.00204	1.4
136.98714	2.0
137.02306	1.4
139.00275	45.7
140.00876	2.5
141.01859	8.0
150.03174	1.7
151.00270	8.3
155.07034	9.6
157.01352	1.0
161.02341	1.5
163.00237	1.3
165.99010	6.0
166.99779	100.0
168.00375	6.8
169.01343	44.4
170.01683	3.1
171.06483	2.8
177.03925	1.5
179.03468	1.2
185.00845	16.4
191.03430	1.7
211.02393	4.5
217.01369	1.5
219.81967	1.1
225.05594	8.6
229.01315	1.2
245.00928	1.5
247.02373	1.4
257.00861	1.2
271.04587	4.1
273.00568	1.1
299.99045	1.2
300.99756	2.9
313.05640	4.6
329.05225	5.2
397.05359	1.5
511.21539	3.4
521.20325	24.7
522.20441	3.0
524.18524	1.7
535.90515	1.1
539.12378	5.6
539.21185	67.8
539.33441	7.1
540.21594	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	537.3284
Annotation	Virenamide A
Peak:m/z	Relative Intensity
55.01750	2.0
57.03333	2.4
58.00447	0.5
59.01252	57.4
60.01579	0.9
61.98698	1.4
65.00188	0.7
67.01774	0.5
69.03326	0.9
71.01258	15.9
71.57845	0.8
71.67208	0.5
72.99171	1.7
73.02823	5.9
73.35933	0.5
75.00751	0.8
81.03316	0.6
83.01269	5.1
85.02827	8.1
87.00757	1.9
89.02319	5.0
95.01273	3.2
95.04902	0.6
97.02814	1.2
97.06445	0.6
99.00751	2.5
101.02323	15.0
102.02660	0.5
107.01276	2.6
107.04927	0.5
109.02816	1.1
109.06500	0.7
111.00760	3.4
111.08047	0.5
113.02332	6.3
119.03366	0.8
121.02797	0.5
121.06419	0.5
123.00788	3.2
124.01575	0.9
125.02337	13.6
129.01790	1.0
131.03404	0.5
135.04439	0.9
137.02353	0.6
137.09645	0.5
139.00267	2.1
139.01222	0.5
140.01048	1.0
141.01857	0.8
143.03421	0.5
143.10677	0.5
149.02274	0.5
151.00262	1.6
151.03888	0.7
153.01840	1.2
155.07062	1.3
159.02884	1.6
160.68719	0.5
161.02303	0.9
161.04460	2.2
163.03818	0.6
166.55934	0.4
166.99782	1.1
168.00554	2.2
169.01338	19.2
171.13783	1.0
201.14839	0.6
211.02446	2.8
218.02190	0.6
218.55974	0.5
227.10776	1.2
245.00688	0.6
271.04559	2.9
300.99808	3.7
313.05771	0.8
315.25366	4.2
329.23318	0.6
331.06610	0.5
349.18887	0.7
357.26462	2.0
375.03519	1.0
375.27567	5.5
376.27792	0.8
386.07599	2.4
461.07449	0.7
462.08170	4.5
477.30499	9.5
478.31161	1.1
493.21750	0.6
519.31769	1.4
537.20575	7.9
537.32776	100.0
538.08258	0.8
538.20203	1.9
538.33057	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	537.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.2
57.03326	4.6
58.00470	1.8
59.01252	65.2
61.98709	4.0
67.01756	1.5
69.03326	2.3
70.71586	1.0
71.01256	39.3
71.58532	1.3
72.99192	3.2
73.02826	10.6
76.40193	1.0
79.01805	1.2
79.05406	1.5
83.01250	7.6
85.02821	17.8
87.00748	2.6
87.04387	2.6
89.02314	15.0
89.03862	2.0
91.05409	11.0
93.03340	2.9
95.01294	5.6
95.04928	2.6
96.21663	1.2
97.02830	1.5
99.00763	5.3
99.04467	1.3
101.02322	31.3
105.03365	3.3
107.01277	5.7
107.04922	8.7
109.06474	15.4
111.00804	3.8
113.02318	13.4
113.36907	1.1
117.03333	8.9
119.03362	6.2
119.04861	1.5
121.02865	4.2
121.06442	1.5
123.00775	8.1
123.04391	2.4
123.08057	5.2
125.02348	24.8
125.09792	1.2
129.01846	1.2
132.02087	1.6
135.04401	9.6
137.02321	1.3
139.00275	2.0
140.01093	1.5
141.01807	1.3
143.03439	1.7
145.02844	6.5
146.03218	3.2
148.01616	1.4
149.02351	21.3
149.09688	1.3
151.00298	5.9
153.05484	9.3
155.07050	4.9
157.67078	1.1
159.02890	1.2
161.04460	6.7
161.09613	3.1
163.04022	1.3
164.04701	3.9
165.05505	1.2
168.00598	3.6
169.01337	37.5
177.05490	1.3
177.12752	7.0
179.10640	2.8
189.63174	1.1
195.13879	3.9
203.10733	3.2
211.02435	4.6
221.11795	6.2
223.09685	2.8
271.04541	2.9
280.39352	1.5
283.09805	1.1
283.19144	1.4
300.99707	2.7
301.20425	1.2
315.25363	2.5
325.12756	2.5
327.12436	5.0
328.13181	7.8
328.73856	1.5
330.10886	1.4
343.15405	4.0
383.17148	1.2
385.14987	5.7
386.15646	1.8
401.18161	50.0
402.18353	4.5
463.18051	2.1
463.25522	4.7
477.31088	5.7
492.17798	1.5
493.17331	10.5
494.17834	1.8
507.20319	10.8
508.20416	2.0
522.18964	1.4
536.31744	3.5
537.23260	100.0
537.32642	62.1
538.23572	14.7
538.32629	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	537.198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67540	3.0
57.15887	2.6
59.00951	4.4
59.01250	83.8
59.86425	2.9
65.90629	2.8
71.01258	61.1
71.57088	4.6
72.99186	9.1
73.02818	5.4
81.50838	2.9
83.01254	5.3
85.02833	13.5
87.00726	8.0
89.02320	83.1
95.01263	5.4
101.02325	33.8
107.01266	5.4
109.02871	3.0
113.02336	24.1
119.03394	27.9
122.03651	3.1
123.00761	6.7
125.02347	24.8
133.02850	2.8
135.04332	3.6
136.01572	70.1
137.02286	2.8
139.00261	3.7
143.03401	7.5
147.04428	3.2
147.46127	2.9
149.02359	14.9
149.04526	5.4
150.03099	20.5
151.03926	100.0
159.04413	6.4
160.05150	8.7
161.02370	14.2
161.04482	7.8
163.00365	4.0
163.03978	3.2
164.04729	6.4
165.05476	21.7
166.99841	4.4
169.01364	24.4
175.03946	5.1
175.07558	11.9
177.01804	5.7
179.05544	16.6
180.09840	3.1
181.87340	3.6
195.06544	8.0
202.33038	2.8
202.99583	3.4
211.47520	2.9
217.01382	4.1
247.02480	4.7
251.06966	3.0
259.83472	3.3
263.07101	5.8
279.06580	4.1
294.09119	5.1
297.11337	4.2
299.98917	4.1
300.99951	15.3
309.11319	7.4
312.09940	5.8
327.08807	4.5
327.12320	60.1
328.12714	8.2
339.12344	13.3
345.13416	3.3
347.00235	4.3
357.13367	4.4
373.83017	3.0
376.01941	3.5
461.03751	3.6
537.19843	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	537.1978
Annotation	Mallophenol B
Peak:m/z	Relative Intensity
51.68155	0.3
55.01744	0.4
59.01255	5.4
60.48375	0.3
64.12903	0.2
65.00201	0.3
66.06670	0.3
67.01751	0.7
68.99688	0.3
69.03321	0.8
71.01260	3.5
71.36607	0.3
72.99175	0.9
79.01764	1.3
81.03296	0.4
83.01260	0.7
83.99129	0.3
85.02810	1.2
87.00751	0.6
89.02329	2.1
91.25677	0.3
95.01264	2.5
97.02833	0.9
99.56712	0.3
100.50070	0.3
101.02326	1.7
107.01277	5.7
110.00008	0.4
111.00778	2.4
113.02361	1.5
119.03424	0.3
123.00774	14.0
124.01523	1.1
125.02344	20.2
126.02680	0.9
127.00250	0.9
135.04359	0.4
136.05186	0.8
136.98700	1.7
137.02298	0.3
139.00275	4.8
140.01086	3.1
141.01855	2.4
151.00282	10.4
151.03928	0.4
151.07581	0.4
152.00623	0.3
152.08342	0.7
153.01823	0.4
153.09155	0.8
161.02382	0.3
161.88304	0.3
162.06250	0.3
163.03920	0.6
164.10718	0.3
165.05428	0.3
167.03413	0.6
168.00577	6.3
169.01352	29.0
170.01675	1.3
177.03978	1.0
199.06906	0.3
205.12305	1.8
211.02429	8.5
212.02834	0.5
223.02478	0.3
229.68864	0.3
271.04605	9.5
272.04874	0.6
313.05658	1.6
317.02496	0.3
329.05414	0.4
331.06714	1.1
405.97922	0.3
473.91653	0.3
477.89627	0.3
537.19775	100.0
538.20123	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	537.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00185	3.6
55.01751	1.4
57.03332	1.6
59.01255	13.1
64.99940	0.8
65.00198	9.4
67.01761	18.0
67.38531	0.8
68.99699	1.2
69.03335	1.6
69.37495	8.5
71.01251	7.1
73.02805	1.1
75.00738	3.8
79.01772	1.3
80.99696	7.2
83.01227	2.5
85.02830	2.0
89.02313	2.0
92.99699	3.7
95.01260	24.4
96.05933	1.1
97.02832	1.2
99.00774	2.0
101.02330	2.9
103.93317	0.9
107.01262	3.4
108.99187	1.9
109.99992	1.9
110.00742	1.1
111.00777	9.9
113.02299	2.2
123.00769	11.1
124.01550	1.9
125.02338	20.2
127.00253	2.2
130.64572	0.9
131.35509	0.9
134.66679	1.1
136.98695	7.8
137.02339	1.2
139.00272	42.0
140.01009	4.3
141.01830	1.5
151.00243	3.9
151.03894	1.0
153.01936	1.4
154.99725	2.7
158.54213	0.9
159.02974	1.0
163.03911	1.1
164.98175	5.7
165.01788	1.2
165.98950	5.0
166.99750	9.4
168.00577	6.9
169.01341	29.1
170.01686	1.1
177.03940	2.3
177.05344	0.9
182.99232	1.2
183.04443	2.1
209.00885	1.9
211.02414	10.8
223.02460	1.9
227.01895	3.2
235.71101	1.0
250.29460	0.9
261.56680	1.1
269.03046	1.3
271.04639	12.5
272.48685	1.0
283.04556	3.8
290.94519	0.9
313.05640	1.6
327.03519	1.2
329.05273	1.7
335.05493	0.9
375.27649	1.6
509.20294	2.6
537.19739	100.0
537.31671	8.0
538.20178	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	537.1979
Annotation	Mallophenol B
Peak:m/z	Relative Intensity
51.35679	0.7
53.00172	0.8
55.01767	1.3
57.03327	0.9
58.00457	0.8
59.01253	15.6
64.08076	0.8
65.00211	2.0
67.01765	9.7
67.88734	0.8
68.99725	1.0
69.03336	3.2
69.27869	4.0
69.28297	4.6
71.01251	9.4
71.28765	0.7
72.99189	2.0
73.02824	1.6
74.11881	0.8
75.00748	1.6
75.42912	0.8
78.85975	0.7
79.01778	2.2
81.52993	0.8
83.01269	6.3
85.02807	4.0
87.00740	2.1
89.02332	3.6
93.03351	0.8
95.01266	22.9
96.99212	1.1
97.02850	3.0
99.00768	1.6
101.02314	6.0
107.01278	5.8
109.02859	1.6
111.00768	29.1
111.04398	1.7
112.01082	0.9
113.02341	5.5
119.03417	1.7
119.04792	1.0
121.02831	1.4
123.00772	34.9
124.01582	1.1
125.02344	30.4
125.03244	1.9
126.02663	1.4
136.98727	1.8
137.02368	1.1
137.09656	1.8
139.00275	44.7
140.00949	3.3
140.22641	0.7
141.01842	6.2
141.14090	0.8
151.00294	5.3
151.03880	1.0
153.01846	1.5
161.02336	1.7
165.01903	1.7
165.99028	3.5
166.99776	100.0
167.99022	1.1
168.00493	10.0
169.01343	39.6
170.01740	2.3
179.03438	1.2
183.02927	1.1
185.00841	17.9
185.02446	1.1
190.99750	3.9
196.60300	0.9
209.00912	1.8
211.02420	19.3
213.27721	0.8
217.01410	1.1
233.14442	0.8
241.03618	1.5
269.03030	8.0
270.03564	1.0
271.04602	35.0
272.04953	2.2
275.01849	0.8
287.04178	1.8
299.99051	1.1
300.99954	5.3
313.05750	1.9
329.05386	2.1
331.06744	4.9
345.19266	1.6
347.06323	2.5
459.16885	1.7
509.20328	1.5
519.18756	12.0
520.18933	0.9
537.19916	42.3
537.32275	11.8
538.20532	6.6
538.32922	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1618
Annotation	2''-Epifraxamoside
Peak:m/z	Relative Intensity
53.21804	0.6
53.97070	0.6
55.01768	1.0
57.03316	2.1
58.00483	0.7
59.01249	12.8
61.98695	1.4
63.02311	0.7
63.96111	0.8
65.00205	1.6
67.01759	2.6
68.99676	0.7
69.03333	1.8
71.01253	11.3
71.58041	1.5
72.99188	3.2
73.02828	4.0
75.00743	3.9
79.01768	2.8
83.01247	3.2
85.02819	5.4
87.00754	1.9
89.02324	4.0
95.01276	6.8
97.02823	1.8
99.00758	2.3
101.02313	8.4
107.01266	13.2
109.02827	1.6
109.99973	1.3
111.00760	8.5
113.02345	4.9
117.03391	0.7
119.03385	1.7
119.04861	1.0
121.02858	1.0
122.72106	0.7
123.00771	33.3
123.04394	1.0
124.01648	4.1
125.02336	50.2
126.02666	2.3
127.00255	2.8
132.02179	1.3
133.02867	4.6
135.04414	4.3
135.98241	2.2
136.98695	3.7
137.02315	2.6
138.99249	1.1
139.00269	12.9
139.03903	1.3
140.01077	11.6
141.01854	3.7
145.02835	2.1
149.02377	0.9
150.99118	1.1
151.00278	12.2
151.03952	1.3
153.01825	1.7
154.99757	1.3
159.02963	0.8
160.01573	1.1
161.02356	24.9
161.04469	1.7
162.02797	1.1
163.00246	1.6
163.03912	1.7
163.56691	0.6
165.01851	1.3
166.99785	7.6
168.00551	13.4
169.01340	62.5
170.01672	2.7
173.02325	0.9
175.03973	1.0
177.01755	0.7
177.03986	2.3
178.02618	1.5
179.03394	3.0
179.05537	0.9
179.06982	1.4
181.01389	3.8
183.02859	3.2
185.02396	1.1
191.03438	1.1
193.01317	1.4
193.05008	3.0
201.01814	0.9
203.03381	0.8
207.06575	1.7
210.01501	1.1
211.02444	13.5
217.01328	1.0
219.02989	1.3
221.00868	2.0
221.04402	0.7
223.09682	1.1
225.03923	2.3
229.01384	1.4
231.02875	1.0
237.03960	3.5
241.03580	1.5
247.02489	1.0
255.02783	1.3
269.03085	0.8
270.03931	3.8
271.04688	9.2
273.00424	1.6
275.01974	2.2
298.98514	0.8
299.99203	1.1
300.02737	2.0
300.99838	10.6
301.03384	2.2
302.00134	1.7
302.03583	0.8
313.05667	3.1
329.05173	1.9
330.05902	1.0
375.27481	3.2
461.07272	1.9
461.14484	6.2
461.57422	1.6
469.48212	0.9
507.31537	0.7
519.31824	0.8
537.15448	100.0
537.32483	17.1
538.15839	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	535.3128
Annotation	Glidobactin D
Peak:m/z	Relative Intensity
55.01746	1.1
57.03311	1.7
58.00446	0.7
59.01253	53.2
60.01608	0.7
61.26071	0.5
61.98689	1.3
62.89606	0.6
69.28671	6.1
71.01257	13.1
72.99194	1.2
73.02824	5.5
75.00742	0.6
75.66784	0.7
83.01251	3.3
85.02822	6.5
85.99938	0.7
87.00755	1.7
89.02306	3.6
95.01237	1.3
95.29218	0.5
98.20562	1.3
99.00743	2.0
100.53810	0.5
101.02321	13.5
107.01241	1.0
111.00768	1.4
111.08060	0.5
113.02321	5.4
113.29093	0.5
117.03351	1.5
119.03419	1.1
119.04943	0.7
123.00803	1.2
125.02338	3.7
127.11231	1.2
129.01836	0.7
145.02864	3.7
155.10674	1.6
159.02991	0.7
161.02293	0.8
161.04495	1.5
163.00322	0.7
163.03880	0.6
166.99770	0.7
167.03476	0.9
169.01366	3.0
171.10175	0.8
175.03737	0.6
177.01874	0.7
203.07082	0.8
245.08122	1.4
289.07156	1.4
299.99036	0.7
300.99869	3.6
301.03192	0.8
311.10492	0.6
313.23953	3.2
343.24942	0.7
355.24905	2.1
373.25824	6.6
374.26379	0.7
389.81433	0.7
397.66626	0.7
457.28290	0.7
461.03357	0.7
462.24542	0.7
475.29095	10.0
476.29300	1.4
498.90659	0.7
517.30383	0.9
535.31256	100.0
536.31543	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.5
57.03311	2.8
58.00451	0.9
59.01250	58.0
61.98695	2.2
69.03335	1.2
69.56497	2.1
69.56910	4.8
71.00894	1.5
71.01254	18.5
72.99171	1.4
73.02810	7.1
83.01253	4.0
85.02834	8.6
87.00741	2.5
89.02322	6.9
95.01279	1.6
98.20517	1.9
99.00736	2.9
101.02326	15.1
108.01998	1.0
109.02850	0.9
111.00755	1.1
113.02343	6.0
117.03352	25.5
119.03400	1.9
119.04922	11.4
121.02831	0.8
121.63018	0.8
123.04391	2.7
125.02316	3.9
125.03173	1.0
130.36604	0.9
131.60974	1.0
139.07564	1.0
143.23087	0.9
145.02855	100.0
146.03185	4.8
151.00266	1.4
159.02943	1.1
161.02306	1.9
161.04460	2.3
163.03923	11.1
166.99588	0.9
168.00601	0.9
169.01357	5.3
169.12260	0.9
179.10706	1.2
185.59218	0.8
192.00589	1.4
215.12808	1.3
227.16512	0.9
271.04529	2.0
300.99982	1.0
313.24081	1.7
355.24829	3.5
373.26007	6.3
398.84348	0.9
411.06595	0.9
457.27924	1.7
475.29089	6.7
517.30090	1.9
535.25092	44.4
535.31329	79.9
536.24420	8.1
536.32550	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	535.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56187	0.6
55.01772	1.1
57.03323	1.9
58.00477	1.0
58.25745	0.5
59.01253	19.4
59.35504	0.5
61.98703	1.3
65.00193	0.9
67.01763	1.2
68.99703	0.6
69.03325	1.3
71.01257	17.8
71.04906	0.8
71.57897	0.9
72.99184	2.6
73.02822	5.5
75.00751	0.7
79.01785	1.0
83.01252	2.9
85.02831	6.1
87.00769	3.0
88.98659	0.8
89.02324	9.9
89.02842	1.0
93.03357	1.0
95.01250	3.3
95.04900	0.8
96.95930	1.2
97.02846	1.4
99.00766	2.2
99.04408	0.9
99.25815	0.5
101.02329	11.4
107.01257	5.7
109.02850	1.3
111.00771	5.5
113.02335	6.2
117.03342	1.1
119.03403	3.7
119.04900	0.7
121.02850	1.1
123.00772	12.9
123.04427	0.7
124.01564	2.3
125.02343	29.9
125.05939	0.6
126.02702	1.1
127.00266	1.6
135.04442	1.8
136.01581	1.7
136.98729	2.3
137.02353	1.6
138.03149	0.9
138.61517	0.5
139.00296	7.3
139.03853	0.7
140.01083	7.7
141.01802	1.5
143.03403	1.2
145.03003	0.7
147.04396	2.8
151.00275	7.4
151.03899	3.3
152.00659	0.6
153.01891	0.7
159.02902	1.0
160.01590	1.1
160.04001	0.8
161.02403	2.1
161.04506	3.3
161.05679	0.7
161.09653	0.9
163.00320	0.6
163.03963	0.7
163.07527	0.9
165.01918	0.9
165.05505	4.8
166.99809	3.2
167.03477	0.9
168.00562	14.0
169.01340	46.1
169.12196	0.8
170.01654	2.6
173.02365	0.9
175.03957	2.4
178.99905	0.7
179.03435	0.9
179.05582	1.7
179.10710	2.5
181.01387	3.6
185.06075	0.5
189.01833	1.0
190.02751	0.9
191.05513	0.8
193.01411	0.6
193.05029	0.8
193.12325	0.9
201.01859	1.2
203.03416	0.7
203.10706	3.2
205.08574	1.4
206.09424	0.9
209.11879	1.7
211.02419	19.9
211.04347	1.3
212.02823	1.0
221.11887	2.6
227.03407	1.4
229.01349	0.9
229.14421	3.6
237.03957	0.8
241.03566	2.3
245.00887	1.5
248.03094	0.6
255.03047	2.3
256.03519	1.3
257.00943	0.6
257.03552	1.1
257.17587	1.4
270.03839	5.6
270.98880	0.7
271.04611	17.0
273.00372	0.6
275.01831	1.3
284.03372	1.6
285.03903	2.3
286.04312	1.7
287.04669	1.7
297.06149	3.3
298.98132	0.6
299.01587	0.6
299.99271	0.9
300.02792	1.0
300.99960	8.2
301.03580	5.0
302.00220	2.2
302.03842	2.0
305.16101	1.3
313.05710	7.3
340.09534	0.7
355.24887	0.8
361.16699	0.7
373.22092	0.9
373.26028	3.8
441.73798	0.8
459.03546	0.6
475.29297	3.0
503.16711	0.7
518.98138	0.7
535.18341	100.0
535.31354	13.3
536.18658	14.1
536.26874	1.0
536.31323	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.333
Annotation	Cepafungin I
Peak:m/z	Relative Intensity
55.01745	1.5
57.03323	2.2
58.81615	0.7
59.01252	54.6
59.54056	0.6
59.85534	0.6
61.98695	3.7
63.07423	0.6
64.34993	0.6
69.03312	0.9
71.01254	18.7
71.04887	1.0
71.65060	0.6
72.99183	1.1
73.02817	6.5
75.00772	0.8
83.01256	3.4
85.02819	11.2
85.37459	0.5
87.00764	0.8
89.02299	4.7
95.01263	1.8
96.95888	0.7
98.20637	1.3
99.00745	2.0
101.02321	13.4
107.01276	1.7
111.00787	0.9
113.02328	8.2
118.24027	0.6
119.03399	0.9
123.00790	0.7
125.02367	4.3
127.11160	1.2
141.12854	0.8
157.02806	0.7
159.02861	1.1
161.04463	4.9
168.72867	0.7
169.01320	3.8
218.38373	0.7
229.74292	0.8
239.13118	0.7
259.13736	0.7
265.25366	2.2
267.23190	3.9
275.02005	0.9
299.99011	0.9
300.99896	3.5
327.25421	6.7
473.31543	3.6
489.31076	0.7
515.32172	6.0
524.94714	0.7
533.33331	100.0
534.33795	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	535.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73861	2.5
59.01237	5.2
71.01241	8.4
71.57138	3.9
83.01246	3.0
85.02847	3.4
89.02280	3.9
95.01228	4.0
101.02287	3.7
107.01279	11.3
111.00808	6.5
113.02318	3.0
119.04877	4.7
123.00768	9.7
125.02338	75.2
134.70122	2.7
135.04437	3.8
137.02309	3.4
139.00298	3.9
140.01006	3.6
141.01819	3.7
151.00270	6.8
163.00214	3.5
163.03903	3.5
166.99721	4.0
169.01353	100.0
169.02779	5.7
170.01740	6.1
177.01936	4.3
190.99825	21.5
192.00534	4.7
206.02139	26.3
207.02881	15.5
221.04527	15.9
241.03479	5.1
300.99875	5.6
313.05670	86.2
461.74384	2.8
535.10809	42.9
536.11255	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	533.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.3
57.03313	2.1
58.00457	1.0
59.01254	33.1
61.98701	8.3
62.07819	0.5
71.01259	18.7
71.04910	0.6
71.58415	0.8
72.99175	1.6
73.02818	5.5
73.09190	0.5
75.00739	0.9
83.01272	2.9
83.04894	1.3
85.02827	7.8
85.06483	0.5
87.00735	1.6
87.04395	0.6
89.02324	9.7
95.01269	1.7
96.95902	0.6
97.02868	0.6
97.06485	1.4
99.00746	1.4
99.04395	0.6
101.02329	11.5
107.01254	2.4
111.00744	0.9
113.02346	4.8
117.03336	0.9
119.03392	2.9
119.04848	0.9
121.02805	0.7
123.00749	1.5
123.04518	0.6
123.08011	0.9
125.02356	5.9
125.09577	1.8
127.11100	0.6
131.03375	0.9
132.02011	0.6
137.09621	0.8
139.00258	1.1
139.11186	0.7
141.09116	0.7
143.03365	0.9
143.10663	0.6
145.02829	2.0
149.09782	0.6
151.00305	1.3
158.66861	0.5
160.01535	1.6
161.04445	2.2
163.11147	0.6
167.10715	0.7
168.00412	0.7
169.01332	7.8
171.10173	4.0
172.05190	1.2
175.03928	2.1
181.12219	0.6
185.11827	3.2
193.06573	0.7
215.12891	0.7
215.96092	0.6
218.01923	0.7
239.16460	1.4
241.14592	0.7
243.15944	1.5
245.00914	1.3
246.01538	0.6
271.99570	1.3
273.00400	3.2
274.00949	0.8
275.01913	0.7
293.27298	0.6
300.99905	3.3
302.00085	1.0
311.22055	0.8
341.23340	2.9
352.23404	0.6
353.23322	5.3
370.07196	0.8
371.08835	1.7
371.19995	1.1
371.24368	14.1
372.24857	2.1
463.05228	0.7
473.27661	0.7
515.28571	1.4
533.29565	100.0
534.29993	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	533.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41343	0.4
52.26317	0.4
55.01760	1.0
57.03328	2.3
58.00462	0.5
59.01251	17.7
61.98704	2.9
69.03315	1.0
71.01256	12.6
71.04900	0.9
71.58339	0.5
72.99184	1.4
73.02821	3.9
74.21247	0.4
75.00758	0.9
80.86991	0.4
83.01265	2.2
83.04910	0.6
85.02825	6.0
87.00761	1.4
87.04414	0.7
89.02319	8.1
95.01266	1.6
97.02834	0.7
97.06475	1.1
99.00761	1.2
101.02335	7.6
107.01290	1.1
111.00753	1.0
113.02325	5.0
113.05988	0.6
117.03352	1.7
119.03387	1.5
119.04916	1.3
123.00774	1.4
123.08053	0.8
125.02348	4.8
125.09616	2.5
126.02695	0.6
132.02058	0.9
135.04341	0.6
136.98694	0.6
137.02350	0.6
139.07570	0.7
139.11171	0.7
143.10672	0.7
145.02867	7.0
147.04393	0.5
151.00302	1.1
153.09143	0.9
155.07068	0.8
160.01604	2.9
161.02319	0.7
161.04472	1.0
163.03905	0.9
167.10805	0.5
168.00403	1.0
169.01344	8.2
170.01718	1.1
171.10191	6.3
172.10628	0.5
175.03911	2.4
179.10678	1.4
185.11792	1.8
193.05042	0.8
211.02472	0.6
215.12898	0.6
245.01007	0.8
251.16458	0.5
271.06027	0.9
271.99576	1.3
273.00418	2.3
299.99265	0.6
300.02768	0.7
301.00104	2.9
311.22366	0.7
313.07196	1.1
318.74603	0.5
323.22440	0.9
325.23965	0.6
335.22330	6.7
336.22815	0.8
341.06769	3.3
341.23349	6.5
353.23355	6.9
354.23596	1.0
355.24927	3.6
356.09134	2.2
356.25235	0.6
371.11401	3.9
371.24380	17.3
372.24658	2.1
503.28778	1.2
515.28864	1.8
533.29730	100.0
534.21985	0.8
534.29962	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	533.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00558	0.5
53.49817	0.5
55.01736	1.4
55.31897	0.5
57.03313	1.4
58.00464	0.6
59.01248	18.2
61.98707	3.5
69.03320	0.7
69.31522	4.4
71.00894	0.8
71.01254	12.2
71.04876	0.8
72.99178	1.2
73.02809	3.0
75.00736	0.9
83.01234	2.3
85.02827	5.3
87.00732	1.3
87.04359	0.7
89.02325	6.1
95.01253	1.6
96.95869	1.1
97.06457	1.1
98.19751	0.9
99.00758	1.1
101.02317	7.8
107.01250	1.5
107.04907	0.5
108.47926	0.5
109.06451	0.5
111.00726	0.7
111.08018	0.5
113.02336	4.0
117.03330	1.9
119.03406	1.7
119.04939	1.2
123.00757	1.7
125.02341	4.8
125.09602	1.8
126.02628	0.6
131.03441	0.8
132.04309	0.5
135.71599	0.5
137.02284	0.9
137.09648	0.7
139.00264	0.9
139.11192	0.7
142.53314	0.5
145.02859	7.1
149.04430	0.6
151.00291	0.7
155.10707	0.6
160.01544	2.3
161.04446	1.7
163.03912	1.5
168.00607	0.7
169.01331	5.6
170.01659	0.7
171.10176	6.8
175.03889	2.4
179.10678	1.5
185.11699	1.9
192.31087	0.5
197.02150	0.7
211.02382	0.7
225.61227	0.5
245.00871	1.2
271.06165	0.9
271.99640	1.2
273.00394	2.3
275.01691	0.6
285.03949	0.6
298.98361	0.7
300.99854	2.6
302.00308	0.8
313.07025	1.0
323.22125	1.1
335.22269	7.4
336.22583	1.0
341.06900	2.8
341.23273	7.4
342.23596	1.1
353.23285	6.7
354.23544	0.8
355.24927	4.4
356.09149	2.3
371.11258	3.6
371.24335	15.6
371.29010	0.8
372.11417	0.7
372.24744	1.9
464.10730	0.5
503.28638	0.9
515.28674	1.9
533.29675	100.0
534.22040	0.8
534.30072	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	533.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.7
57.03321	0.8
57.93085	0.3
58.00452	0.3
59.01255	7.6
61.98704	1.5
62.21104	0.2
70.55476	0.3
71.01254	6.1
71.35174	0.6
72.99182	0.4
73.02819	2.0
75.00748	0.4
83.01254	1.6
85.02823	3.0
87.00753	0.5
87.36433	0.3
89.02320	2.2
89.03872	0.3
95.01273	0.5
96.95901	0.3
99.00786	0.7
99.04478	0.3
101.02333	5.0
105.03351	0.5
107.01243	0.3
107.04900	0.5
108.02085	0.3
113.02339	2.5
117.03309	1.3
119.03382	1.0
121.02876	0.6
123.00767	0.4
123.08063	0.4
125.02359	1.0
128.91251	0.3
131.03447	0.4
132.02052	1.9
133.02855	36.3
134.03258	1.4
135.04420	8.2
137.02371	0.7
138.01883	2.0
139.02254	0.7
139.03925	0.3
143.03473	0.5
145.02823	0.6
159.02939	0.3
160.01537	0.3
161.02356	100.0
161.88173	0.2
162.02699	4.2
163.03918	0.3
169.01367	1.1
179.03419	3.3
179.05644	0.3
209.15398	0.5
300.99756	0.4
311.22403	0.3
311.67148	0.3
366.60953	0.3
371.20663	0.6
371.28101	0.9
473.23892	0.5
503.26160	0.3
533.23956	66.7
533.32678	5.8
534.24298	11.6
534.33008	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	1.0
55.24903	0.8
57.03328	4.7
58.00457	1.1
59.01250	34.3
66.26593	0.6
69.70629	5.8
71.01250	19.6
71.04893	1.2
72.99165	0.7
73.02824	3.3
83.01262	2.3
83.04907	4.1
85.02834	5.6
87.00755	8.4
89.02315	19.7
89.47129	0.8
95.01270	1.9
97.06462	2.6
99.00760	1.5
101.01700	1.3
101.02328	17.2
102.89352	0.9
104.66856	0.7
105.06956	1.1
107.01259	2.3
107.04929	6.4
107.95152	0.7
111.00744	1.0
113.02322	9.1
118.27141	0.8
119.03386	7.1
120.05688	3.1
121.04956	13.7
123.00801	2.3
123.04390	1.0
125.02345	5.7
131.03380	0.8
135.04427	3.0
139.00226	1.1
143.03355	0.9
146.07138	1.1
149.04510	1.5
152.04694	2.0
160.01559	0.8
160.03958	1.5
161.04462	6.4
161.09631	18.1
161.13268	8.3
162.09959	1.3
163.00188	1.1
163.11143	4.1
166.99756	2.3
168.00528	1.9
169.01360	9.5
170.01666	1.8
172.70122	0.8
175.03886	1.2
179.05522	2.7
179.10791	1.9
187.11217	22.1
189.09126	13.3
203.10660	1.8
205.12250	10.2
206.12642	1.7
207.10188	8.4
223.13344	1.7
227.03450	3.4
231.10335	1.5
249.11270	8.9
255.02858	5.2
265.09277	1.4
267.12329	6.4
283.10333	18.6
284.03302	4.8
284.10635	1.2
285.04025	3.5
299.99002	1.1
300.99814	3.4
364.81250	0.9
489.11472	1.0
515.21704	1.7
533.22388	100.0
534.22748	16.4
538.68292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.3
57.03327	5.8
59.01254	35.9
69.66004	6.0
71.01253	21.5
72.99175	0.9
73.02813	5.7
81.03348	0.8
83.01250	2.2
83.04905	3.8
85.02835	6.6
87.00750	9.8
89.02322	20.1
89.56400	0.8
93.94963	0.9
95.01278	1.9
95.04884	1.3
96.95876	2.2
97.02827	1.1
97.06485	1.9
98.95456	1.7
99.00761	3.2
101.02327	17.8
107.01257	1.8
107.04897	5.4
107.97845	0.9
113.02332	7.8
119.03408	6.5
120.05714	3.2
121.04960	16.1
125.02338	6.1
135.04420	3.2
135.11690	1.3
143.03410	1.4
143.90450	0.9
152.04700	1.8
157.06471	1.8
159.02885	1.0
159.08076	1.2
161.04523	5.1
161.09624	20.5
161.13280	10.6
162.09975	1.6
163.11247	4.2
168.00517	1.3
169.01324	9.0
170.01665	1.1
172.08867	1.0
176.01077	1.3
177.01851	3.3
179.03380	1.0
179.05560	1.9
179.10693	2.3
187.11211	25.6
188.11589	2.2
189.09138	15.4
190.09470	1.1
193.01340	1.1
203.10742	2.4
205.12285	11.1
207.10201	8.2
231.10312	1.8
249.11292	12.1
267.12311	5.6
273.00534	1.1
275.02081	1.2
283.10349	21.0
284.10742	1.0
287.09268	1.7
300.99963	4.0
302.00107	1.2
334.60297	0.9
438.58911	1.0
503.64142	1.1
515.21600	2.5
533.22455	100.0
534.22717	12.4
538.89270	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58064	0.2
57.03318	0.3
59.01255	1.3
67.01765	0.3
69.03377	0.2
71.01263	1.2
71.56350	0.3
73.02823	0.4
81.03337	0.2
83.04901	0.4
85.02825	8.0
87.00758	1.9
87.68264	0.2
93.03339	3.2
99.04408	0.4
106.28555	0.2
107.80075	0.2
109.02814	1.2
111.04415	1.3
125.02319	0.2
127.03906	2.1
129.73117	0.2
135.04424	0.7
161.05995	0.3
171.02940	0.5
173.04486	1.2
179.03456	0.3
191.05539	100.0
192.05894	3.8
231.03021	0.3
241.70840	0.2
271.09708	0.4
293.70825	0.2
298.15332	0.3
344.00613	0.2
359.07523	0.5
398.93341	0.2
446.34097	0.2
533.13068	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57014	0.1
57.03324	0.2
59.01247	1.0
60.99178	0.1
67.01767	0.3
69.03323	0.2
71.01255	0.9
71.10896	0.1
71.11214	0.1
72.99193	0.1
73.02811	0.2
75.00746	0.1
81.03324	0.3
83.01262	0.1
83.04896	0.3
85.02824	7.8
86.03152	0.2
87.00751	1.7
93.03336	2.6
94.03671	0.1
95.01257	0.1
99.00764	0.1
99.04391	0.4
101.02306	0.1
103.00260	0.1
106.41757	0.1
109.02838	0.8
111.04402	0.8
113.02325	0.2
125.02325	0.2
127.03913	1.9
128.04213	0.1
129.01845	0.1
137.02383	0.1
143.03410	0.1
153.01807	0.1
155.03371	0.1
171.02937	0.7
172.03145	0.1
173.04469	0.8
189.03886	0.1
191.05553	100.0
192.05894	3.7
192.07703	0.1
193.05939	0.1
265.03351	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	14.0
61.98700	5.1
67.01749	1.2
69.52526	4.5
69.52954	5.5
71.01244	4.9
72.34503	1.1
75.02282	1.9
83.10264	1.3
83.12570	1.0
85.02843	1.8
89.02309	3.6
91.01753	2.8
93.03311	2.0
95.01244	2.3
98.19847	2.9
99.00738	1.4
101.02330	5.0
107.04901	1.9
108.02054	2.7
109.02858	1.4
113.02357	1.7
117.03336	5.1
119.01283	5.6
119.04918	3.3
121.02841	3.0
122.82205	1.2
123.00793	2.6
125.02333	4.9
131.01286	5.4
133.02855	8.8
135.04420	9.1
136.01520	1.8
136.04778	3.2
137.02332	5.1
138.64653	1.3
141.45651	1.1
145.02853	22.0
147.00792	20.0
148.01527	5.5
149.02328	2.6
151.03957	1.9
153.05484	1.3
159.00778	3.3
161.02367	15.4
162.02695	3.7
163.00246	3.0
163.03944	6.4
165.01802	2.9
169.01323	6.2
175.00299	19.5
176.01062	22.0
177.01762	2.9
177.05486	3.0
178.99879	2.2
179.03427	13.0
180.03792	3.2
190.02583	3.0
190.99747	2.4
191.03467	5.8
192.00563	2.5
200.00954	1.7
202.98009	1.9
202.99797	30.2
204.00293	1.8
206.99365	1.3
207.02921	4.6
209.00861	4.9
217.80200	1.3
218.99374	1.6
221.00967	8.0
221.04425	5.5
222.04881	1.4
229.01387	1.7
235.02454	22.8
245.00975	3.4
246.98788	32.2
247.99022	2.5
251.05573	5.4
251.16400	1.4
252.05907	3.3
258.53738	1.4
273.29623	1.4
279.01465	100.0
280.01773	4.1
281.06656	9.8
282.06964	4.7
300.99835	2.2
341.08789	3.2
342.08725	1.5
439.94821	1.3
531.31580	2.1
532.14374	1.7
533.24042	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	531.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	14.9
60.71201	2.5
69.03329	4.5
71.57085	2.2
93.06986	3.1
99.08031	5.3
119.75517	2.7
137.05977	14.6
153.12794	3.2
155.07047	17.0
163.11211	5.9
167.10698	100.0
168.11053	5.0
175.20752	2.7
181.12277	55.8
181.13728	4.5
182.12636	3.1
183.57536	2.0
199.13338	78.3
200.13699	4.8
225.11275	16.6
226.11284	2.3
243.12286	27.0
248.67453	2.7
305.24811	7.0
319.19177	3.5
337.20233	22.1
338.20804	3.3
351.45142	2.6
396.69781	2.9
448.82803	2.5
531.29846	5.8
558.10352	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	531.3164
Annotation	L-olivosyl-erythronolide B
Peak:m/z	Relative Intensity
52.18546	0.3
55.01762	1.9
57.03323	2.6
58.00463	0.8
59.01252	16.1
60.01563	0.3
61.98705	2.3
68.99695	0.5
69.03329	0.9
69.30705	2.9
71.01256	19.8
72.99171	1.4
73.02818	7.1
75.00746	0.7
78.32217	0.2
79.95600	0.3
83.01254	4.5
85.02824	9.9
85.99978	0.9
87.00770	1.8
89.02323	3.1
95.01280	2.0
96.95881	1.3
97.02829	0.6
99.00749	2.7
101.02325	15.3
102.02644	0.4
111.00782	2.1
113.02333	6.7
119.03382	1.8
123.00768	0.6
125.02369	1.7
127.11215	0.8
129.01848	0.9
131.03380	0.6
135.89073	0.3
138.01910	0.5
141.01857	0.3
143.03403	0.3
149.04520	0.4
157.12267	1.8
159.02913	2.1
161.04463	4.0
167.14336	3.8
169.01318	0.8
179.03421	0.3
191.05429	0.3
195.48161	0.3
211.13351	0.8
238.85921	0.3
240.13625	0.5
288.19711	0.3
319.17639	0.3
325.27164	0.6
369.26428	12.5
370.26846	1.2
399.23807	1.1
471.30322	0.4
487.32608	0.3
513.30890	2.4
529.30066	0.5
531.31769	100.0
532.32098	16.2
547.38464	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88250	0.5
58.55185	0.6
59.01250	9.7
60.42011	0.5
61.94400	0.5
61.98700	2.5
69.03320	0.5
69.44893	2.3
69.45323	2.5
71.01249	6.5
72.99169	0.5
73.02824	1.4
82.95289	1.2
83.01249	0.8
83.02382	0.7
84.02759	0.5
85.02821	1.5
89.02322	3.1
98.19791	1.0
99.00772	0.7
101.02330	3.7
105.03344	0.6
107.01250	3.4
107.04884	0.6
109.02849	1.1
111.00726	1.3
113.02362	2.7
117.03353	1.5
119.03400	0.7
119.04905	0.6
121.06453	0.9
123.00791	1.3
125.02336	7.8
125.16003	0.5
126.02663	0.8
131.03448	0.6
132.02086	2.3
133.02849	39.3
134.03514	2.2
135.04417	51.4
136.04765	2.2
137.02345	2.5
137.09616	2.4
139.00362	0.6
139.03874	1.1
145.02867	1.5
148.05202	1.7
149.05978	8.1
161.02351	100.0
162.02696	5.0
163.04015	0.7
168.00618	1.3
169.01349	9.5
170.01660	1.6
171.01833	0.6
175.03944	0.7
177.05496	19.9
178.02615	1.0
179.03421	67.5
180.03777	3.4
191.03262	0.7
199.98488	0.5
200.02614	0.5
203.03470	2.7
221.04503	32.4
221.15468	0.7
222.04834	1.7
229.01358	0.8
233.04527	1.5
242.99277	0.7
245.00941	0.5
251.05583	39.1
252.05975	3.2
270.98712	0.9
273.00330	1.0
281.06656	73.0
282.06998	5.2
299.99133	1.0
300.99918	3.5
302.00098	0.8
311.07547	0.7
323.07709	2.0
341.08759	22.2
342.09238	2.6
500.28903	0.6
531.22723	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	531.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	86.5
61.98697	19.6
69.44900	100.0
69.45327	85.3
96.95872	31.6
103.13506	19.2
119.42565	18.4
148.88466	20.7
153.86623	23.4
170.98770	20.2
204.02823	19.4
263.21872	23.9
531.29529	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	531.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
59.45457	1.9
61.98700	2.0
69.03343	4.3
69.87267	4.2
69.87673	8.0
71.01248	5.0
79.70106	2.0
83.04877	3.1
83.94036	1.9
85.06474	3.0
93.06981	2.7
96.95916	2.7
98.19837	1.9
107.01283	3.9
107.04929	2.3
109.02905	2.8
123.00787	7.5
123.04451	4.3
125.02329	27.4
128.03412	2.7
137.02332	10.7
137.05998	5.6
139.00235	2.6
140.01071	4.9
151.00250	5.4
151.03912	6.4
153.01842	2.0
155.07095	4.0
157.43239	1.8
159.40683	1.8
163.03975	2.5
167.10704	33.2
167.67923	2.2
168.00583	3.9
169.01329	16.8
225.04010	37.8
243.88240	2.1
257.12604	2.2
363.10843	55.0
364.11267	4.8
373.27631	3.5
381.11896	68.3
381.16565	4.2
382.12210	11.0
453.34128	2.4
471.35339	11.5
487.30563	3.2
531.22437	62.0
531.30328	11.2
532.22839	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	529.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.6
58.00442	0.6
59.00955	0.7
59.01250	9.1
61.98699	1.5
71.01254	5.3
73.02804	1.0
76.09464	0.4
82.09612	0.3
83.01255	0.6
85.02825	1.0
87.00761	0.6
89.02323	5.9
95.01250	0.5
96.95876	1.0
101.02320	6.5
106.55084	0.4
111.08048	0.6
113.02332	2.5
113.09579	0.4
119.03391	1.6
143.03412	0.6
161.04463	2.9
179.05498	1.1
179.14331	0.8
195.13838	7.8
196.14391	0.9
205.12299	0.8
205.15916	0.6
206.99901	0.4
211.13358	0.7
223.13351	5.9
224.13640	0.4
228.13586	0.6
231.20923	0.4
253.09282	30.0
254.09595	1.3
256.13120	1.0
265.21866	0.6
275.20151	4.5
276.20703	0.6
290.94046	0.4
293.21231	100.0
294.21548	9.2
307.22729	0.8
393.24030	0.4
466.89215	0.5
472.82724	0.4
492.22134	0.6
504.18030	0.5
529.27924	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	5.2
69.07798	0.9
70.44198	0.8
71.57126	1.1
71.57494	1.1
78.95773	18.8
82.37480	0.9
90.99866	0.9
93.01689	0.9
97.64253	0.8
129.26999	0.8
152.99489	3.5
168.04248	3.0
224.06903	7.7
242.08046	1.8
246.78458	1.0
246.98210	0.9
253.57829	1.0
255.23271	100.0
256.23651	9.7
279.23495	1.2
280.23633	2.4
480.30975	55.1
481.31369	8.8
530.30121	2.4
530.67157	1.1
543.18182	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72200	0.8
51.19083	0.9
57.03332	2.0
59.01252	100.0
60.01581	1.6
61.98708	7.9
65.00217	1.4
67.01766	1.6
69.03320	2.2
71.01253	16.0
72.99191	2.4
73.02810	4.6
79.01744	0.9
80.91548	2.1
83.01275	1.8
83.04902	1.3
85.02818	5.0
89.02316	11.4
93.03346	1.5
95.01263	5.5
96.95872	1.0
97.02861	1.9
98.19619	1.1
99.00768	2.3
101.02324	10.6
103.63647	0.8
107.01272	18.9
107.04916	1.8
109.06528	1.6
111.00766	2.5
111.08070	1.0
111.86502	0.9
112.64441	0.8
113.02336	6.8
117.03368	1.7
119.03372	4.5
123.00764	13.3
123.04414	0.8
124.01575	1.2
125.02338	43.8
132.02118	1.0
133.02855	1.5
134.03638	1.0
135.04414	2.5
136.98711	1.3
137.02328	1.1
137.05968	2.6
139.00281	3.2
139.07581	1.3
140.01056	1.5
141.01834	2.2
145.02855	4.5
147.00818	1.6
149.02354	1.1
151.00316	2.8
153.05424	0.9
155.07042	28.7
156.07449	1.4
157.08617	10.5
160.01590	1.1
161.02359	5.8
161.04405	5.6
161.09636	1.7
163.00311	2.1
163.03926	1.3
166.99777	6.4
167.10684	0.8
168.00537	6.5
169.01338	52.5
173.02333	2.5
175.03926	1.5
177.01845	3.2
179.03391	1.4
179.05560	2.0
185.02289	1.1
186.97952	1.0
187.00240	2.5
187.11206	2.5
189.01862	3.2
189.09120	2.1
190.02641	1.8
191.03410	2.2
194.99306	1.6
199.00230	1.1
199.09509	1.1
201.01854	3.9
203.03426	1.7
205.01424	1.2
208.00105	1.1
211.02322	1.1
214.02647	1.6
214.99854	2.2
215.16530	2.1
216.00555	1.1
217.01373	3.5
219.03033	1.3
226.99994	1.1
227.03387	1.5
228.00499	1.3
229.01422	3.3
235.02415	1.3
242.99263	1.7
243.03009	1.3
243.99986	1.6
245.00826	5.1
247.02530	1.5
255.02956	1.7
257.00906	1.7
261.00314	1.3
270.98871	4.5
271.99521	1.2
273.00436	4.8
274.01144	2.5
275.01956	4.1
279.10751	2.0
279.13828	1.0
298.98349	3.9
299.99033	5.8
300.99973	9.5
301.03143	1.5
313.68576	0.9
331.01315	1.2
331.17435	6.1
373.25888	2.1
377.21808	3.8
397.05637	3.8
429.08405	1.3
433.03418	1.1
485.14200	1.9
486.06396	2.2
500.06006	3.3
523.47577	1.1
529.13324	2.9
529.23047	16.8
530.23462	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	529.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.8
55.56686	0.8
59.01259	5.5
65.03833	2.1
71.01241	0.9
74.30427	0.7
79.01785	0.9
83.04916	1.0
93.06964	4.2
95.01232	0.8
107.01294	1.6
107.04910	1.8
108.71754	0.8
109.02828	3.0
121.10120	47.3
122.10426	1.0
123.00762	6.5
123.04404	2.8
124.01582	1.4
125.02338	28.3
137.02341	6.6
137.05978	16.2
138.06270	1.0
140.01051	1.3
145.02896	0.9
151.00301	5.3
151.03914	7.2
153.01830	1.5
155.05859	1.4
155.07040	17.1
156.07402	0.8
163.03967	1.7
165.09122	100.0
166.09442	4.6
166.99771	1.2
167.03317	0.9
169.01334	16.4
195.02936	2.0
225.03998	80.4
226.04247	4.0
229.84261	0.9
234.96744	0.9
285.11719	0.8
286.64853	0.8
363.10782	13.2
364.11148	0.9
381.06976	1.8
381.11902	37.2
382.12296	4.5
382.16690	0.8
529.20721	19.0
530.20990	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	527.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.4
59.01252	100.0
60.01585	1.7
61.98706	2.9
65.05103	0.3
70.63107	0.6
70.63468	0.7
71.01260	5.3
73.02816	2.2
74.29513	0.3
74.95383	0.3
83.01279	0.8
85.02823	2.5
89.02342	1.2
91.21964	0.3
95.01305	0.4
96.95913	1.5
97.02826	0.4
97.06413	0.3
99.00787	0.6
101.02318	4.5
102.76830	0.3
113.02316	2.4
119.03403	0.4
125.02349	0.6
159.02873	0.8
161.04466	5.7
223.08496	0.3
257.15543	1.2
289.71158	0.3
291.19650	0.4
301.14413	0.5
342.56482	0.3
365.23755	0.4
467.30258	3.9
468.30893	0.7
491.25009	0.4
511.29251	1.0
527.26575	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26050	1.2
59.01250	39.8
67.01745	1.2
69.03335	1.8
69.42842	10.4
71.01241	2.8
72.99184	1.7
83.04885	2.2
85.22373	1.1
93.06978	1.8
95.01258	1.4
96.95906	3.7
107.01267	5.6
107.04899	1.3
109.02865	3.0
109.06442	1.1
111.00756	3.2
121.10109	18.0
123.00763	8.2
123.04409	5.3
124.01620	3.8
125.02338	31.6
135.04405	3.0
136.98650	1.5
137.02348	9.0
137.05972	5.3
139.00279	4.8
139.03868	1.5
140.01042	4.5
151.00256	6.1
151.03915	6.3
153.01863	1.6
155.07076	5.8
163.03958	1.3
165.09113	31.8
166.09483	2.1
168.00539	3.7
169.01334	19.8
181.05006	1.3
225.03993	37.5
226.04439	2.3
286.72784	1.2
293.21295	2.5
363.06293	2.0
363.10852	56.9
364.11017	5.9
381.11887	100.0
382.12347	9.4
419.31735	1.6
447.31570	1.4
485.28833	1.7
529.20862	43.8
529.28729	4.9
530.20990	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	527.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.8
57.03325	3.3
58.00465	0.6
59.01252	13.9
60.99190	0.9
61.79764	0.2
61.98701	0.6
65.03829	0.6
67.01763	0.4
69.03330	1.9
71.01254	32.2
71.03654	0.2
71.58454	0.2
72.01582	0.5
72.99187	1.1
73.02821	10.0
75.00757	0.6
81.03337	1.5
81.06967	0.4
83.01257	4.1
83.04900	3.7
85.02826	14.3
85.99967	0.2
86.03152	0.4
87.00751	1.5
89.02319	5.5
91.05425	0.5
93.03355	0.4
93.06973	3.9
95.01270	2.3
95.04907	0.7
96.95878	0.3
97.02822	1.1
99.00761	4.5
99.04401	0.3
101.02325	23.4
102.02665	0.5
107.01257	0.3
107.04920	1.1
109.06482	5.0
110.06791	0.2
111.00815	0.3
111.08045	9.8
112.08394	0.2
113.02332	15.8
113.05965	0.3
114.02673	0.3
115.03886	0.4
119.03414	1.8
119.04903	1.7
123.00780	0.7
123.56475	0.2
124.01565	0.3
125.02333	2.0
125.05972	4.8
126.06277	0.2
129.01799	0.7
129.09125	0.2
131.03398	0.3
135.04475	0.2
137.02350	0.3
137.05984	8.3
137.19025	0.2
138.06319	0.3
139.00261	0.5
143.03400	2.4
151.00269	0.3
152.85867	0.2
153.09096	0.2
155.07047	100.0
156.07391	4.2
159.02898	4.9
161.04465	28.7
162.04832	0.8
168.00461	0.3
169.01334	1.6
179.05510	0.7
205.03503	0.9
209.11842	0.2
211.02370	0.3
227.16498	2.0
228.16809	0.2
232.51137	0.2
271.04590	0.4
285.04047	0.2
300.99844	0.3
314.47156	0.2
365.19153	0.3
389.21808	17.3
390.22162	1.4
527.21429	2.0
527.28296	0.2
528.21539	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.6
59.01254	10.8
61.98709	5.6
66.04649	0.8
71.01250	5.3
71.57062	1.5
79.95558	0.9
85.02844	1.7
85.46063	0.9
85.98293	0.9
87.00782	1.5
89.02328	3.7
96.95904	3.4
97.06477	1.0
101.02341	4.0
111.08034	8.3
113.02344	2.7
115.41133	1.0
117.31867	0.9
119.03436	1.1
154.02220	1.3
156.36282	0.8
159.25612	1.0
161.04465	1.9
167.10721	1.8
177.12781	1.7
195.13812	5.1
209.12067	0.9
225.04019	0.9
247.20630	2.3
253.09265	16.7
273.18469	2.1
274.80676	0.9
291.19669	100.0
292.20096	10.4
360.54300	1.1
527.26672	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	527.286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56203	0.4
57.03314	0.8
59.01249	9.3
61.98697	1.5
67.40365	0.4
69.03294	0.5
71.01255	5.0
71.56447	0.7
73.02821	1.0
83.01253	0.8
83.04890	0.5
85.02824	1.8
85.92243	0.4
87.00767	1.2
89.02322	3.8
95.01251	0.5
95.04893	0.7
96.95889	1.0
101.02321	5.5
111.08039	8.5
113.02366	2.1
114.74620	0.5
119.03401	1.4
125.02386	0.5
129.10580	0.4
131.03432	0.6
137.09613	0.8
161.04414	2.5
167.10657	2.1
177.12808	1.9
179.10692	1.7
193.15825	0.5
195.13835	6.3
199.13280	0.5
203.14404	0.4
203.47943	0.4
247.20685	2.2
253.09268	16.2
254.09692	0.9
273.18680	1.9
291.19666	100.0
292.19971	9.6
527.27887	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	527.2136
Annotation	Dutasteride
Peak:m/z	Relative Intensity
54.68599	1.1
55.01752	1.5
58.00440	1.1
59.01252	28.3
61.98702	6.2
67.01725	1.3
69.03288	1.5
71.00900	1.6
71.01251	19.0
71.57327	1.2
72.01566	1.3
72.35376	1.1
72.99162	3.5
73.02788	5.3
75.00714	2.3
79.01733	1.5
83.01235	2.1
83.04867	1.6
85.02819	7.9
87.00727	1.3
88.98618	1.1
89.02335	7.0
95.01219	3.2
96.95847	1.9
99.00748	2.4
101.01723	1.0
101.02323	14.2
107.01283	9.2
109.02773	1.5
111.00698	5.1
113.02326	7.5
119.03333	3.8
123.00769	26.2
124.01549	1.6
125.02350	28.2
126.02636	2.6
127.00269	1.6
131.24068	1.1
135.04402	1.2
136.98639	2.9
139.00249	7.9
140.01065	6.6
141.01810	2.8
151.00281	17.2
153.01701	1.8
155.07013	1.5
161.04422	5.7
168.00555	7.4
169.01335	38.9
170.01672	2.0
211.02467	6.7
212.56725	1.1
228.40204	1.2
261.18677	1.3
271.04413	5.5
297.05914	1.3
303.87564	1.4
305.17551	1.2
309.13559	1.8
313.05441	2.2
331.20938	1.3
375.20166	9.0
452.08560	1.3
467.26578	1.5
483.22418	36.1
484.22189	4.1
509.20334	18.1
510.20102	2.1
527.20972	100.0
528.21234	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	527.2131
Annotation	Dutasteride
Peak:m/z	Relative Intensity
55.01750	1.2
57.03316	1.4
59.01252	16.9
61.98721	2.8
63.02259	1.1
65.00194	1.0
66.31666	0.6
67.01754	2.5
69.03325	2.2
71.01260	9.8
71.58475	1.0
72.99169	1.9
73.02826	2.0
75.00739	0.8
79.01765	1.6
81.03312	0.9
83.01260	4.2
85.02828	5.9
87.00743	1.7
88.98686	1.4
89.02330	4.1
89.99805	0.6
93.03331	2.5
95.01270	6.8
96.01591	0.7
96.74760	0.6
96.95911	1.0
97.02841	2.3
99.00746	1.3
101.02323	5.9
103.81197	0.6
105.03388	0.6
106.00517	0.6
107.01264	10.0
107.04891	1.3
109.02819	1.6
111.00765	6.6
113.02345	3.8
115.03909	3.4
117.03370	1.1
119.03358	2.1
123.00772	29.1
123.04417	0.8
124.01181	1.8
124.01492	1.9
125.02345	45.9
126.02641	2.5
127.00240	1.5
134.89185	0.7
135.00801	0.6
135.04414	0.8
136.98698	2.4
137.02347	1.6
139.00270	7.9
140.01056	6.1
141.01855	3.5
143.03354	0.8
143.04958	1.2
145.02878	1.2
149.02345	0.9
150.99123	1.2
151.00275	15.1
151.03877	0.8
152.00627	1.4
153.01860	1.6
154.99756	2.6
155.07040	3.0
157.06488	0.8
159.04416	1.9
161.02417	1.3
161.04443	2.1
161.09634	1.6
161.13251	1.1
163.00250	1.2
163.03952	1.1
166.99783	6.5
168.00589	7.5
169.01341	52.3
170.01692	3.7
171.04379	0.9
173.02321	0.9
175.03920	0.9
177.01898	0.7
179.03444	1.2
179.05585	1.0
183.04317	0.7
184.05208	0.7
185.06024	2.3
187.03917	3.7
187.11217	2.6
189.05519	1.1
189.09119	1.9
190.02634	0.8
193.01430	0.6
199.03883	1.0
205.01328	0.6
205.04965	0.6
205.12332	0.9
207.10188	1.3
211.02371	1.8
211.04094	1.3
213.05507	1.8
213.14845	1.3
215.03322	0.9
217.04991	1.2
221.00726	0.6
227.03566	3.1
229.04964	5.9
230.05383	1.0
232.03021	2.5
239.03462	0.9
241.04987	1.5
241.45618	0.6
255.02997	1.8
257.04645	3.1
261.04224	0.7
267.02832	0.8
267.12378	1.3
271.04559	2.1
277.03412	1.2
277.09265	1.0
284.03183	2.1
285.04053	68.1
286.04367	10.4
287.04498	0.6
295.04608	1.5
300.99707	1.7
301.03214	1.2
308.03519	2.7
313.05655	2.4
337.62415	0.6
347.18610	7.0
365.19675	1.9
369.15253	0.7
375.05386	4.8
375.20215	5.8
375.55569	2.6
384.04062	1.6
431.06210	2.4
447.05508	2.3
451.05569	1.3
451.56250	1.1
465.07056	1.3
527.21326	100.0
528.21680	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	527.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.5
58.00479	2.1
59.01253	40.0
61.98306	1.3
61.98669	1.6
67.01758	1.4
69.03339	2.2
70.50731	5.0
71.01254	34.5
72.99180	3.4
73.02808	4.0
73.11324	1.4
75.33237	1.3
83.01263	4.4
85.02824	7.9
87.00739	1.3
89.02322	21.9
89.17961	1.6
95.01267	5.9
97.02810	1.8
98.20422	1.4
99.00744	2.0
101.02328	25.6
107.01277	11.3
111.00773	4.3
111.08000	1.6
113.02325	12.0
119.03437	8.2
123.00774	23.7
124.01620	1.7
125.02348	39.4
127.00266	3.4
136.98682	2.9
137.02438	1.3
137.10461	1.4
139.00278	8.2
140.01036	4.8
141.01859	3.5
151.00296	13.8
151.83952	1.6
153.01810	2.6
155.07027	2.8
161.02449	1.8
161.04398	2.3
167.03465	1.5
168.00549	12.7
168.04041	1.4
169.01349	48.8
170.01656	1.3
177.09119	1.7
179.05595	1.6
181.04897	1.7
211.02443	33.8
211.04393	2.6
212.02745	1.4
271.04617	48.6
272.05106	2.5
300.99615	1.6
313.05682	1.9
331.06812	8.4
357.15515	5.6
375.16599	48.3
376.16980	5.1
413.84894	1.4
434.88867	1.5
480.31430	1.5
483.18732	51.3
484.18924	6.3
509.16653	38.8
510.16833	5.8
527.17676	100.0
527.24432	5.1
528.17944	12.4
539.60748	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	3.9
71.01253	5.5
77.84517	2.3
79.77424	2.0
85.02826	3.7
87.00768	3.2
88.91869	2.0
90.45042	2.1
95.01254	3.4
107.01259	11.9
111.00751	7.2
116.38108	2.1
121.02868	2.9
123.00779	20.3
124.01542	2.5
125.02336	53.5
126.02688	6.0
127.00256	2.6
136.98785	2.4
137.02419	2.7
139.00249	10.8
139.03906	3.4
140.01053	9.9
141.01805	4.1
149.02356	6.6
150.03119	25.5
151.00249	12.1
151.03973	3.7
162.03270	2.2
163.03854	3.2
164.04747	3.8
165.05502	18.1
166.99765	3.5
168.00587	13.1
169.01346	80.3
179.03436	3.1
183.02921	9.5
183.71446	2.2
186.17049	3.0
191.05730	2.5
211.02423	11.5
225.03931	5.9
271.04590	5.5
283.64465	2.1
285.05988	8.0
297.06161	2.8
299.76144	2.4
313.05655	21.4
314.05994	2.3
327.07126	2.5
373.07867	4.8
385.08008	11.3
449.31866	2.7
479.11920	59.4
480.12228	8.4
491.12100	3.0
509.13025	19.9
527.14032	100.0
528.14246	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	527.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	1.6
67.01773	1.6
69.03310	1.6
69.24632	12.9
71.01260	6.3
79.01746	1.2
83.01269	3.2
85.02821	1.9
87.00754	3.1
95.01283	4.4
97.02825	3.2
101.02303	2.2
107.01281	14.9
108.02053	1.6
109.02853	3.6
109.99951	1.4
111.00776	7.2
113.02350	2.8
121.02830	2.5
123.00776	22.7
123.04433	3.6
124.01587	3.7
125.02341	69.9
126.02729	2.2
127.00233	3.2
136.98703	3.6
137.02333	3.7
139.00288	10.4
139.03911	2.2
140.01080	8.0
141.01810	4.6
145.02829	2.1
149.02364	6.0
150.03142	28.9
151.00287	15.2
151.03786	3.0
153.01906	1.9
161.02344	3.2
162.03111	2.4
163.00250	1.6
163.03888	2.1
164.04712	3.3
165.05495	14.8
166.99754	3.7
168.00577	12.2
169.01347	100.0
170.01682	5.3
179.03363	1.5
181.01360	1.8
183.02922	7.0
191.03462	1.8
193.01434	1.8
195.06644	2.9
210.01575	1.4
211.02380	7.0
219.02855	1.5
219.53242	1.5
225.04092	8.1
253.03209	1.3
271.04568	2.8
285.06070	10.4
297.06192	4.8
299.99133	1.8
300.99905	16.5
313.05658	21.2
313.08994	2.1
314.06223	2.2
327.07217	3.1
375.09488	1.5
385.07745	9.3
479.11975	76.4
480.12177	9.9
491.11774	3.0
509.13086	15.5
510.13220	2.0
527.14099	69.7
528.14484	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	525.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90305	0.3
57.03307	0.5
58.12662	0.3
59.01250	100.0
60.01592	1.1
61.98707	5.5
62.73963	0.3
68.99686	2.6
69.03320	0.4
71.01253	8.0
73.02818	2.8
81.24623	0.4
83.01274	1.2
83.04890	1.2
84.67501	0.4
85.02814	3.5
86.03146	0.5
87.00780	0.6
89.02348	1.2
95.01266	0.8
96.95885	0.6
99.00768	1.4
101.02315	6.0
102.59892	0.4
109.06502	0.7
113.02338	3.7
123.00806	0.8
125.02361	1.2
125.05956	0.5
138.17918	0.4
143.03423	0.7
143.07010	0.6
151.00334	0.4
153.05479	3.9
154.05756	0.4
157.51276	0.4
159.02902	0.9
160.01544	0.3
161.04457	6.2
162.04883	0.5
168.05704	0.3
169.01408	1.4
169.12285	0.5
171.06641	0.4
186.98465	0.4
197.11807	0.5
209.11812	1.2
211.91031	0.4
231.08171	0.6
271.04834	0.4
319.21313	0.8
465.28415	5.1
465.33646	0.5
466.29092	0.6
525.27545	10.5
526.27655	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14028	0.3
55.01765	0.8
57.03329	0.7
58.00492	0.4
59.01253	100.0
60.01578	1.1
60.68509	0.3
61.98709	5.3
68.99685	3.3
69.03325	0.3
69.27431	0.3
69.29999	0.6
69.30399	3.3
71.01254	8.2
72.99177	0.6
73.02818	2.4
75.00758	0.9
83.01283	1.5
83.04905	1.2
85.02831	4.5
87.00756	0.6
89.02335	1.1
95.01271	0.6
96.95899	0.6
97.02872	0.6
99.00779	1.1
101.02328	6.0
107.01284	0.4
111.00796	0.4
113.02347	3.5
123.00815	1.4
125.02386	1.4
125.05988	0.4
139.00320	0.4
140.01082	0.4
143.03511	0.5
143.07063	0.4
152.01111	0.4
153.05475	4.0
159.02913	1.1
161.04456	5.3
161.05659	0.5
166.04991	0.6
169.01401	1.4
193.79819	0.3
205.03502	0.3
209.11896	0.7
231.08261	0.5
319.21307	1.2
371.20889	0.5
465.28381	4.3
465.33743	0.5
466.28848	0.5
525.27661	10.2
526.28094	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54051	1.7
55.01757	3.9
57.03316	4.4
58.00467	1.8
59.01251	75.0
61.38738	1.7
61.98693	15.7
71.01254	47.9
71.57585	3.2
73.02821	21.1
73.64860	1.8
83.01259	19.7
85.02816	24.5
85.99949	3.0
87.00739	2.0
89.02317	6.4
94.89907	1.7
95.01237	4.4
96.95911	4.1
97.02811	3.2
99.00760	7.2
101.01691	4.0
101.02325	52.3
111.00743	2.0
113.02351	17.6
119.03364	2.9
123.00713	3.0
125.02348	4.9
140.40950	1.7
143.03369	2.7
159.02893	2.7
161.04472	14.0
163.11296	2.3
169.01366	4.0
210.44040	2.0
222.14249	2.1
289.18011	10.2
319.21243	96.4
320.21530	9.9
333.22745	2.6
355.01001	2.0
455.67456	2.4
465.27011	100.0
466.27426	14.9
525.10004	2.7
525.23608	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	525.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	6.0
57.03323	5.3
59.01254	90.7
61.98701	37.8
67.81230	1.5
69.03332	2.0
70.63462	5.1
71.01255	56.5
72.99189	4.7
73.02823	24.9
74.47894	1.7
75.00739	2.0
79.47785	1.5
79.95609	2.1
83.01266	16.8
85.02830	31.2
85.99977	2.4
87.00772	3.9
87.04382	1.8
89.02317	10.9
95.01286	5.2
96.95920	2.1
97.06480	2.0
99.00771	9.1
101.02327	67.4
111.00790	1.9
111.08089	2.0
113.02335	24.0
119.03397	3.7
119.93845	1.7
123.00774	4.7
125.02341	9.8
137.51874	1.9
150.20735	1.9
159.02950	5.3
161.04425	17.0
169.01338	5.6
205.03488	1.8
209.11853	1.9
255.09792	1.9
279.12125	2.0
303.19562	2.7
319.17410	3.5
319.18240	1.8
319.21265	87.4
320.21545	10.3
363.21765	13.8
465.27054	100.0
465.32779	3.6
466.27286	11.9
525.23273	15.7
525.30591	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	3.2
57.03320	3.1
58.00434	1.2
59.01250	64.4
61.98704	3.7
67.59341	1.1
68.93440	1.0
70.31564	3.0
70.31984	2.4
71.01251	29.4
72.99182	1.6
73.02822	12.9
83.01259	6.7
85.02822	17.8
86.00007	1.5
87.00755	1.4
89.02316	4.1
95.01266	1.2
96.95895	1.7
99.00750	6.5
101.02322	35.3
109.66857	1.2
113.02326	14.1
125.02282	1.3
128.37700	1.1
131.03400	38.3
132.03734	1.0
133.00220	1.0
142.41953	1.2
143.03392	1.3
159.02930	2.7
161.04471	12.4
162.04871	1.3
163.11331	0.9
197.74402	1.0
204.38860	1.1
209.11725	6.1
235.02444	1.5
246.98955	1.3
279.01431	3.4
321.17770	1.1
333.22818	100.0
334.23062	11.4
377.21616	2.3
465.27026	9.3
466.27365	2.4
525.26294	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	525.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.0
61.98691	0.8
65.00143	0.4
67.01759	1.2
67.74395	0.4
68.99669	0.7
69.03304	0.9
69.27388	1.9
69.27825	2.2
71.01263	2.8
72.99186	0.6
73.02827	0.7
76.43309	0.3
79.01748	1.1
83.01262	1.2
85.02814	1.7
89.02316	0.5
89.94278	0.3
91.97891	0.4
95.01281	1.6
97.02821	1.0
99.00722	0.4
101.02338	2.3
107.01279	4.1
111.00768	3.4
113.02319	1.3
123.00774	14.9
124.01611	2.0
125.01439	0.8
125.02339	14.1
126.02736	0.6
127.00253	0.9
136.98689	2.0
139.00296	5.0
140.01067	4.9
141.01852	1.9
142.06326	0.4
151.00284	10.0
153.05481	0.4
166.99782	0.5
168.00542	6.1
169.01343	18.9
170.01639	0.4
175.03792	0.5
177.03986	1.3
179.03432	0.5
184.41336	0.4
211.02443	1.8
271.04617	0.7
287.21976	0.4
289.22586	0.4
313.05624	0.9
329.05219	1.3
339.18094	0.4
525.23419	100.0
526.23755	13.9
526.31775	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.8
57.03328	0.9
58.00453	0.3
59.01252	8.5
63.33786	0.3
64.43236	0.4
67.01770	1.3
68.99702	0.6
69.03328	0.8
69.23441	0.4
69.72577	0.4
71.01253	7.1
72.01592	0.5
72.04597	0.4
72.99177	0.6
73.02822	2.4
78.49464	0.4
79.01780	1.5
83.01271	1.8
83.37062	0.3
85.02827	3.0
87.00780	0.6
89.02334	1.5
91.05405	0.4
95.01257	3.3
97.02842	1.4
99.00772	1.0
101.02318	3.7
107.01268	5.0
107.04887	0.5
108.01673	0.5
109.06523	0.5
110.00004	0.5
111.00750	2.9
111.98304	0.3
112.01130	0.4
113.02369	2.6
119.03374	0.6
123.00775	19.4
124.01548	1.6
125.02345	20.6
126.02718	1.0
127.00317	1.1
135.04453	1.0
136.98735	1.6
137.02376	0.6
139.00285	4.6
140.01067	4.6
141.01855	2.9
144.96194	0.4
145.02901	0.4
145.85707	0.4
151.00279	13.9
151.03972	0.4
153.01880	1.5
153.05507	0.6
154.99814	0.4
156.42200	0.4
161.02359	0.5
161.04504	1.0
163.03975	0.4
165.05530	0.6
166.99817	0.6
168.00548	4.5
169.01347	25.6
170.01770	1.5
181.05083	0.9
211.02373	2.0
271.04669	1.0
285.04211	0.4
300.99899	0.9
311.98355	0.4
313.05774	1.1
319.67761	0.5
362.29956	0.7
373.18716	0.9
409.43640	0.4
524.34802	1.9
525.23572	100.0
525.35992	3.0
526.23950	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	525.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83754	0.6
57.03308	0.9
59.01255	10.3
61.98705	5.2
67.01765	1.0
69.45234	3.0
69.45657	1.9
71.01261	10.7
72.99178	1.4
73.02826	2.7
75.00768	0.9
78.95787	0.7
79.01778	1.1
83.01277	2.0
85.02827	3.5
87.00764	1.1
88.31890	0.5
89.02319	2.3
93.03338	1.3
94.94736	0.7
95.01256	2.5
96.95869	1.0
97.02837	1.4
99.00773	1.3
101.02328	5.4
103.87014	0.6
105.45900	0.5
107.01282	4.1
108.02035	0.8
109.02837	1.2
109.06475	1.4
111.00773	4.2
111.08064	1.2
113.02345	3.3
113.42490	0.5
119.03370	1.1
121.02895	0.7
123.00777	14.9
124.01575	0.6
125.02352	21.8
126.02704	1.1
127.00250	0.9
132.09940	0.6
136.98703	2.2
137.02376	1.4
137.05992	0.7
138.01880	1.6
138.05533	0.9
138.06749	0.9
139.00284	4.8
140.01056	6.2
141.01805	2.1
151.00284	9.1
152.01028	0.9
153.01828	0.9
153.09140	2.1
155.05856	0.9
155.07063	13.8
159.02832	0.7
161.02362	1.0
161.04483	2.6
168.00568	8.1
169.01346	26.8
170.01666	1.0
177.04002	2.6
211.02417	3.1
225.14935	4.0
248.14281	0.6
271.04752	1.4
291.20322	0.7
300.99814	1.2
313.05762	1.1
329.04834	0.8
387.20346	0.7
449.27887	0.7
525.23444	100.0
526.23969	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	525.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01653	0.4
53.66856	0.4
55.01763	0.9
57.03325	0.7
58.00461	0.4
59.00953	0.5
59.01253	8.3
60.59610	0.4
61.98692	0.9
67.01775	0.5
69.03329	0.9
69.60026	3.0
71.01263	4.3
72.99185	0.8
73.02827	1.7
79.01771	1.3
81.03314	0.5
83.01263	2.4
85.02829	2.0
87.00703	0.5
87.04384	0.5
89.02324	0.9
93.70434	0.5
95.01256	3.1
97.02844	0.8
99.00766	0.8
101.02324	3.4
107.01270	4.2
109.02849	0.8
110.00020	0.5
111.00786	4.4
113.01622	0.5
113.02349	1.8
123.00780	14.9
124.01598	1.0
125.02348	20.4
126.02693	1.6
127.00253	1.2
131.86629	0.4
135.04431	1.8
136.98711	1.5
137.02299	0.7
139.00269	5.2
140.01083	3.3
141.01834	1.9
141.93646	0.4
145.02841	0.6
147.64317	0.4
151.00270	10.7
153.01836	0.9
153.05527	1.1
154.99802	1.8
155.07036	0.5
160.01555	0.5
161.04489	1.1
163.11266	0.7
165.05466	0.4
166.99785	0.6
168.00558	4.5
169.01344	23.0
170.01668	1.8
175.03975	0.9
179.03435	1.0
181.04913	0.7
191.03397	0.7
193.01378	0.6
193.05031	0.6
211.02490	1.5
245.01096	0.5
247.02597	0.5
271.04715	0.8
272.04987	0.5
273.00375	0.5
273.05154	1.1
274.01169	0.6
274.05460	0.7
275.02289	0.4
275.05496	0.8
295.24075	0.5
300.99869	1.9
313.05756	1.5
355.08264	1.6
510.58206	0.5
524.34851	0.6
525.23480	100.0
526.23767	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	525.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73167	1.0
59.01257	2.3
66.33980	1.0
70.59489	2.7
71.01263	4.2
71.92486	0.9
72.99190	7.0
79.01778	1.0
83.01234	0.9
85.02816	1.3
87.00750	1.5
95.01261	1.8
98.19804	1.0
101.02322	1.6
106.16379	1.0
107.01260	5.4
108.02055	3.1
111.00772	3.5
112.98660	1.2
113.02319	1.7
121.02851	1.5
123.00786	7.9
123.04406	3.3
124.01559	1.9
125.02338	41.1
134.03635	8.5
136.41171	0.9
137.02364	2.6
139.00281	2.8
140.01060	2.0
141.01715	0.9
149.06010	1.4
150.03122	3.9
151.00264	6.5
151.03899	2.2
163.03870	1.3
165.01846	1.6
165.05507	6.0
166.99834	1.8
168.00540	3.4
169.01343	55.3
170.01730	2.9
178.02621	5.6
183.02997	1.2
193.05000	18.5
209.00890	2.5
211.02600	2.0
211.06059	47.6
212.06456	1.9
214.02933	0.9
218.07751	0.9
241.03552	1.6
271.04596	1.1
300.99976	1.2
313.05701	14.3
363.07355	1.5
373.11420	11.8
374.11743	1.0
467.32803	1.0
479.12033	2.2
507.11194	4.2
525.12494	100.0
526.12769	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	523.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94264	0.6
54.12629	0.5
55.01768	3.2
57.03328	4.8
58.00467	1.1
59.01254	23.7
60.99162	0.6
61.98693	1.7
65.00197	0.8
67.01765	0.8
67.35014	0.5
68.99666	0.7
69.03324	2.1
71.01257	31.8
71.04897	1.2
71.57963	0.6
72.97360	0.8
72.99183	3.1
73.02824	11.5
75.00732	1.2
79.01776	0.8
83.01266	6.8
85.02829	16.7
85.99953	1.0
87.00751	3.7
87.36343	0.5
88.04893	0.6
88.20419	0.5
88.98683	2.8
89.02324	6.9
95.01276	5.7
97.02808	2.2
99.00754	5.0
101.02327	27.7
107.01271	10.0
108.01553	0.7
109.02916	0.7
111.00754	5.5
113.02331	11.6
117.03339	0.7
119.01184	0.7
119.03388	1.9
121.02837	1.3
123.00780	11.4
123.04462	0.7
123.08067	0.8
124.01607	1.4
125.02348	29.7
126.02670	2.2
127.00235	0.8
129.01802	1.3
131.03456	0.9
133.02812	1.2
134.03659	0.8
135.04395	0.7
136.98683	1.4
137.02330	1.4
137.09642	0.9
139.00299	3.7
139.11215	0.7
140.01074	3.5
141.01822	1.8
143.03409	1.2
145.02869	2.9
147.04420	1.2
148.01483	1.1
149.02339	1.3
150.55875	0.6
151.00301	5.1
155.07027	1.5
155.10670	1.5
157.12270	2.1
159.02893	2.7
160.01576	1.4
161.02336	2.4
161.04485	4.3
163.00278	2.6
163.03941	1.1
165.01822	0.7
166.99782	5.6
168.00613	5.6
169.01346	42.0
170.01685	3.1
171.13863	1.2
173.02350	1.4
175.03941	2.7
176.01123	0.8
177.01868	1.5
179.05536	0.9
179.07097	0.7
181.04991	0.7
187.00272	1.4
187.13310	1.0
189.01849	1.9
190.02571	0.8
191.03432	3.1
193.01460	1.4
193.04919	0.8
198.99893	1.0
201.01871	1.5
201.14915	2.0
203.03401	1.8
205.01337	1.0
209.00800	0.8
211.02440	3.9
214.99773	2.5
216.00363	1.3
217.01361	2.9
229.01358	1.6
229.12450	1.0
231.02826	0.7
242.99260	0.7
244.00000	0.9
245.00815	3.2
246.01233	1.1
247.02359	2.7
248.03204	0.9
249.04015	1.2
261.00232	0.7
270.98828	3.8
271.04630	3.8
271.99490	1.4
272.04895	1.6
273.00293	4.1
273.05014	1.1
274.01047	1.9
275.01956	4.8
291.01523	0.7
291.49985	0.7
298.98322	2.0
299.16589	0.9
299.99060	4.8
300.99905	12.0
301.99866	0.8
333.07040	0.8
343.15387	1.0
359.28091	1.2
361.16589	2.3
361.29617	19.7
362.16989	0.6
362.29922	2.0
367.43393	0.7
371.07758	1.4
371.17166	0.6
375.27429	0.8
397.05646	2.2
398.05753	0.8
428.52579	0.7
430.03287	0.9
437.53082	1.2
438.53949	0.7
460.04559	0.6
496.36490	0.7
500.06931	1.0
523.22827	28.8
523.34833	100.0
524.07428	0.7
524.23016	4.7
524.35168	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	523.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.2
57.03320	2.1
59.01251	100.0
60.01580	0.9
61.98705	9.0
71.01251	23.6
71.57658	1.3
72.99194	1.3
73.02818	7.9
83.01246	4.7
83.04906	1.0
85.02820	11.9
87.00763	2.6
87.04394	1.4
89.02303	5.0
93.03342	1.4
95.01263	1.9
97.02813	1.1
99.00771	4.2
101.02325	17.0
107.01303	1.5
111.00773	1.9
113.02316	8.8
119.03369	1.5
121.02853	1.1
123.00758	1.5
125.02343	5.1
131.03381	2.0
135.57007	1.0
139.00266	1.0
143.03482	2.2
150.03102	2.5
159.02896	2.5
160.01500	1.2
161.04466	13.4
164.06943	0.9
165.05513	2.4
169.01347	4.7
175.03867	1.5
192.34741	0.8
211.02377	1.4
271.04471	1.7
283.99686	1.2
289.88287	1.1
301.27652	1.2
304.31039	0.9
331.21201	5.0
345.20667	0.9
361.23941	3.3
361.29498	0.9
391.27112	1.3
397.06030	0.9
431.26440	0.9
463.32730	37.1
464.32935	5.8
523.21429	8.7
523.27301	1.3
523.33636	5.3
524.21802	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	523.2189
Annotation	Mascaroside
Peak:m/z	Relative Intensity
55.01762	2.9
56.56406	1.0
56.81616	0.9
57.03324	1.5
58.00472	2.2
59.01254	26.2
60.99167	2.5
65.00172	1.0
69.47295	8.6
71.01255	23.3
72.99200	2.1
73.02821	4.0
75.00743	1.9
76.69454	1.1
79.34548	0.9
83.01269	5.2
85.02825	10.8
87.00758	4.0
88.98682	15.5
89.02319	10.1
93.03321	1.1
95.01271	4.5
97.02786	1.1
99.00776	3.1
101.02319	15.5
107.01289	3.8
108.02077	1.7
109.02827	4.1
111.00753	2.8
113.02321	8.3
117.03400	1.1
119.03385	3.8
121.02843	13.8
122.03653	9.2
123.00759	4.5
123.04429	2.2
124.01569	1.5
125.02343	14.0
131.03476	1.4
133.02847	1.2
134.48932	1.1
135.04411	4.0
136.05199	1.3
137.02345	4.1
139.00227	1.6
143.03419	1.1
145.02853	2.1
147.04443	5.6
149.02359	1.3
149.06053	2.3
151.00313	1.6
160.01511	1.3
161.02396	1.2
161.04485	2.5
161.05902	2.5
162.06825	1.7
163.00243	2.0
163.03938	1.9
165.05479	20.1
166.05867	1.0
166.99757	2.8
168.00490	2.1
169.01341	16.5
173.06004	1.3
175.07617	1.4
178.99866	1.3
179.03328	1.6
179.07079	7.5
180.07803	1.6
182.95651	1.0
191.07080	1.5
193.01518	1.2
193.04985	1.5
201.01773	1.5
207.18501	1.1
209.08144	3.0
229.01436	1.2
245.01053	1.2
255.02957	1.8
271.02481	4.0
273.00388	1.1
274.01099	1.4
275.01816	2.8
299.99487	1.7
300.02737	6.8
300.99854	5.8
301.03445	4.6
313.14313	2.6
315.12280	1.5
316.13147	1.5
328.13104	2.9
331.15341	1.5
343.15396	5.9
346.14276	9.0
347.14899	1.7
361.16553	80.3
362.16818	10.0
433.07642	11.3
463.21866	2.6
488.48828	1.2
493.20816	2.7
505.20926	2.4
523.21857	100.0
524.22168	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	523.219
Annotation	Mascaroside
Peak:m/z	Relative Intensity
52.91999	0.9
55.01750	2.2
57.03304	1.8
58.00468	1.7
59.01255	37.0
60.99171	1.3
71.01255	27.1
72.99187	2.3
73.02825	5.0
75.00756	1.7
83.01254	4.5
85.02819	9.0
87.00779	1.3
88.98684	6.4
89.02316	11.4
93.03333	3.2
95.01263	3.0
96.95873	1.9
98.19788	3.4
99.00723	3.2
101.01703	1.4
101.02332	19.7
107.01254	3.0
109.02853	5.2
111.00739	2.8
113.02310	8.1
119.03387	3.2
121.02848	14.3
122.03625	12.0
123.00768	3.2
123.04397	2.4
124.01520	2.5
125.02345	7.4
129.03369	1.5
131.03397	4.7
135.04396	3.5
137.02319	3.4
139.00270	2.2
140.01103	1.8
147.04442	10.8
149.05991	2.3
154.02545	1.6
161.02376	1.3
161.04472	3.7
161.05939	2.5
165.05492	30.9
166.05791	1.5
166.99744	1.6
168.00549	3.2
169.01329	12.8
179.07040	7.9
191.07056	2.2
195.06592	1.4
197.08150	1.4
215.00122	1.2
223.09756	1.1
229.53918	1.3
271.02417	2.4
273.00406	1.4
275.02048	1.6
298.12106	1.3
299.99237	1.9
300.02765	4.5
300.99799	5.3
301.03271	2.3
313.14484	3.0
315.12283	2.1
328.13177	2.0
329.13739	1.1
331.11816	1.1
331.17599	8.8
343.15582	6.2
346.14276	8.3
347.14896	2.8
361.16568	100.0
362.16879	9.9
433.07822	6.0
463.21866	2.6
491.95767	1.1
523.21851	97.4
524.22144	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2182
Annotation	Mascaroside
Peak:m/z	Relative Intensity
52.76638	0.3
55.01738	0.6
57.03323	0.6
58.00445	0.3
59.01254	4.0
62.16558	0.3
65.00193	0.5
67.01756	1.1
67.65798	0.3
68.99688	0.3
69.03334	0.7
69.54124	2.2
70.36624	0.3
71.01257	3.5
72.99195	0.7
73.02832	1.4
76.99100	0.3
79.01746	1.6
81.03337	0.5
81.28716	0.3
82.76043	0.3
83.01256	1.3
85.02831	2.3
87.00768	0.3
89.02312	0.6
95.01263	2.9
97.02827	0.9
98.19716	0.5
99.00774	0.5
101.02329	2.6
105.54418	0.3
107.01273	5.3
111.00765	3.3
113.02325	1.1
116.06142	0.3
123.00774	20.6
124.01632	2.1
125.02336	21.4
126.02676	0.7
127.00261	1.1
129.01970	0.3
135.04352	0.3
136.98708	2.1
137.02368	0.5
137.09518	0.3
139.00273	6.3
140.01054	4.1
141.01836	3.1
151.00281	12.8
151.03902	0.4
152.00635	0.4
153.01852	0.9
163.03908	0.8
168.00572	4.2
169.01343	24.6
170.01701	1.2
173.60822	0.3
174.65376	0.3
177.03941	0.4
181.04968	0.7
205.21666	0.3
209.15501	0.8
209.22162	0.3
211.02385	1.1
222.83893	0.3
223.02315	0.4
243.86169	0.3
245.39267	0.3
253.03418	0.5
268.81195	0.3
271.04709	0.7
286.63574	0.3
313.05682	1.3
448.50854	0.3
523.21820	100.0
524.22156	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	523.2192
Annotation	Mascaroside
Peak:m/z	Relative Intensity
52.81242	0.4
55.01749	1.2
57.03320	1.7
59.01253	11.2
61.83970	0.5
61.98708	4.5
63.58704	0.4
64.12671	0.4
65.00195	0.8
67.01759	1.6
68.99689	0.6
69.03310	1.0
69.35969	0.4
71.00893	0.8
71.01257	12.2
71.57956	0.4
71.58396	0.8
71.93830	0.4
72.99182	1.4
73.02824	2.7
75.00736	1.8
79.01755	1.1
81.03329	0.8
83.01266	2.5
83.04901	1.5
85.02831	4.5
87.00763	1.2
87.04392	2.7
89.02320	4.0
95.01256	3.9
96.95899	0.9
97.02831	1.0
99.00756	1.8
101.02330	7.1
107.01280	6.6
107.04908	0.7
108.02084	1.1
109.99981	0.7
111.00775	3.8
113.02336	3.8
117.03349	0.4
119.03370	1.8
123.00772	18.7
123.04427	0.5
124.01514	1.6
125.02343	22.4
126.02648	1.4
127.00270	0.9
132.02142	0.6
134.03618	0.9
135.04382	0.9
136.98766	2.5
137.02336	0.8
138.01883	7.6
139.00270	6.3
140.01060	5.4
141.01836	3.0
143.03369	0.6
145.02866	1.2
147.04327	0.5
150.03036	0.6
151.00267	10.4
151.03931	1.5
153.01865	0.9
153.05428	0.7
154.99811	0.8
155.07025	2.2
160.01584	4.6
161.02408	0.8
161.04425	2.1
163.03963	0.6
165.09166	0.7
166.99718	1.6
167.10672	0.6
168.00555	7.7
169.01344	31.3
169.12286	2.4
170.01669	1.5
175.03960	4.8
177.03996	1.7
181.04941	0.5
193.04965	1.3
198.90337	0.5
205.12340	0.5
207.03052	0.5
211.02402	2.2
214.99870	0.6
217.01256	0.6
218.33601	0.4
245.00934	0.7
269.21112	0.6
270.98914	1.1
271.04568	1.0
273.00488	0.7
274.01242	0.7
275.01773	0.9
287.22260	4.5
299.98947	0.7
300.99799	1.6
313.05667	1.0
359.22226	0.6
361.23831	0.7
361.29471	1.7
385.14865	0.6
397.05820	1.0
431.26569	2.1
449.27405	0.6
484.57059	0.6
523.21838	100.0
523.34698	4.5
524.22217	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49795	0.7
59.01254	17.3
61.98699	3.4
65.00214	0.9
69.03313	0.7
71.01264	4.9
71.56828	1.2
73.02788	0.7
75.02287	1.4
85.02866	1.2
87.04356	1.2
89.02309	1.9
91.01778	4.4
93.03320	1.7
95.01272	1.2
97.54739	0.7
101.02315	3.4
102.41546	0.8
107.01239	0.8
108.02046	2.7
109.02838	1.3
113.02329	1.5
117.03387	0.8
117.06989	1.9
119.01281	5.5
119.03368	1.3
121.02824	1.5
123.00740	0.9
123.04417	1.3
125.02326	1.2
131.01262	3.9
133.02811	1.1
135.04366	1.7
137.02342	1.2
146.30505	0.7
147.00778	22.4
148.01549	5.9
149.02368	1.7
151.00215	0.8
151.03848	1.9
152.01022	0.8
153.05508	1.0
159.00758	5.1
161.04532	1.3
163.00269	1.7
163.03909	2.6
164.01105	1.2
165.01892	1.5
169.01366	1.0
175.00278	20.4
176.01057	19.8
177.01799	2.7
178.99762	1.0
179.03398	4.2
190.02615	2.7
190.99805	3.1
191.03430	6.8
192.00589	3.1
193.01373	1.6
202.99799	31.3
204.00124	0.9
207.02861	4.6
218.99298	2.3
220.00081	1.1
221.00871	8.2
222.01273	0.8
235.02443	23.3
236.02740	1.4
246.98810	31.2
247.99342	2.1
279.01453	100.0
280.01828	5.9
361.23715	1.4
463.32678	1.5
469.48080	0.8
523.14569	2.4
523.25604	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	523.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06699	0.4
51.65830	0.3
54.88874	0.3
56.33624	0.3
57.03329	0.3
59.01257	1.9
59.64117	0.4
61.98709	0.4
65.00194	0.7
67.01765	0.5
70.14433	1.4
71.01257	0.7
75.02279	1.3
76.33402	0.3
80.37700	0.3
85.02821	0.5
91.01759	3.5
93.03307	0.4
95.01273	0.8
99.00750	0.4
101.02316	0.5
103.01797	0.6
107.04911	0.7
108.02069	2.7
109.02843	1.6
115.64638	0.4
119.01266	4.8
121.02835	1.6
123.04424	0.4
124.01545	0.4
125.02332	0.5
131.01285	4.9
132.02010	0.7
133.02850	1.2
133.83516	0.4
135.00781	0.5
135.04410	1.4
136.01570	0.5
137.02368	1.0
140.01027	0.5
147.00786	23.0
148.01591	5.6
149.02338	1.2
151.00330	0.5
151.03923	1.0
159.00792	4.2
159.83394	0.4
161.02318	0.4
163.00285	1.5
163.03922	1.6
164.01027	0.9
165.01802	1.1
169.94598	0.4
175.00291	20.1
176.01073	22.1
177.01826	3.4
178.99806	1.0
179.03482	2.7
190.02621	1.9
190.99800	1.6
191.03453	7.0
192.00549	2.6
193.01323	1.2
202.99794	31.2
204.00085	1.8
205.01326	0.6
207.02969	4.1
209.00842	0.4
218.99367	1.7
220.00053	1.3
221.00873	6.6
235.02446	22.5
236.02762	1.1
246.98813	31.0
247.99202	1.7
279.01456	100.0
280.01810	5.4
288.02682	0.5
303.08722	0.4
342.67859	0.3
347.07755	0.9
491.11594	0.5
522.34729	1.3
523.14734	3.2
523.34418	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1453
Annotation	verminoside
Peak:m/z	Relative Intensity
52.87402	0.5
55.01756	0.6
59.01248	3.4
65.00203	1.1
67.01771	1.0
69.03320	1.4
71.01250	8.6
71.57127	0.7
72.99182	1.9
73.02831	1.7
75.00773	0.6
79.01770	1.1
83.01257	1.8
85.02842	2.6
87.00756	1.8
89.02328	1.7
93.03352	1.9
95.01274	2.6
96.95855	1.2
97.02854	1.5
98.02358	1.5
99.00761	1.2
101.02316	3.5
102.02652	0.6
107.01270	11.8
109.02866	0.6
111.00753	4.7
113.02319	2.3
123.00774	9.7
124.01544	1.7
125.02337	67.9
126.02679	2.2
127.00270	1.2
131.03441	0.6
135.04417	1.6
136.98674	2.1
137.02359	2.2
137.27507	0.6
139.00284	6.8
139.03894	2.0
140.01073	5.9
141.01826	2.0
151.00320	5.6
151.03877	1.5
153.01889	1.0
159.28590	0.6
161.02344	4.4
161.04448	1.9
162.03279	0.9
162.04810	0.8
163.00266	0.8
163.03867	0.8
165.01846	0.8
166.99770	1.7
168.00572	6.2
169.01341	100.0
170.01686	4.6
173.04498	4.1
176.03381	0.6
176.04703	2.8
177.01843	1.1
179.03421	8.3
180.04178	2.2
181.01291	0.8
181.04947	0.7
183.02980	3.5
185.00769	0.7
191.05513	0.8
191.07104	1.5
193.01370	1.1
194.05782	6.9
195.06541	3.3
205.01256	0.7
209.08148	4.7
211.02484	1.6
214.99731	0.7
237.09312	0.6
241.03529	1.3
245.00926	0.7
247.02374	0.7
253.08693	1.4
275.01898	0.9
277.03604	1.1
297.06241	2.4
299.99133	0.8
300.99896	2.5
306.12640	0.5
313.05658	28.6
314.05927	2.3
315.08762	3.0
316.99329	0.6
321.02698	0.8
327.07181	3.7
343.08215	2.4
347.00534	1.1
349.05759	1.6
361.09280	1.6
389.21893	0.6
390.22131	1.6
391.22314	1.0
406.73224	0.5
505.13696	1.2
523.14575	80.3
524.14929	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	523.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23328	0.8
57.03326	1.0
59.01260	9.2
61.98696	2.1
65.00208	1.3
67.01749	1.3
68.64880	0.7
68.99687	1.3
69.03305	0.9
71.01254	7.0
72.99193	0.9
73.02825	1.6
75.02258	2.4
79.01750	1.5
83.01254	1.2
85.02811	2.2
87.00763	1.0
89.02308	2.6
91.01768	5.1
93.03368	1.8
95.01263	2.1
99.00736	1.1
101.02322	4.6
103.01782	0.8
105.03357	0.9
107.01296	4.5
107.04902	1.5
108.02055	2.9
109.02839	2.7
109.13873	0.6
111.00780	3.0
113.02296	2.2
119.01276	6.7
119.03366	0.8
119.04926	1.2
121.02855	2.7
123.00790	5.0
125.02332	12.4
126.02684	1.3
131.01280	5.7
132.02028	0.8
133.02834	2.7
135.04434	2.5
136.98680	0.8
137.02327	2.8
139.00288	2.2
140.01053	2.1
145.02809	0.8
147.00787	25.7
148.01569	6.5
149.02327	2.7
151.00323	4.0
151.03934	2.3
152.50427	0.8
155.07051	3.3
159.00806	5.9
160.01555	1.1
161.02400	1.7
161.04567	1.5
163.00305	5.0
163.03922	3.0
164.01050	0.8
165.01848	2.5
166.99762	1.4
168.00534	3.2
169.01358	17.4
170.01709	1.0
171.06575	1.0
175.00298	26.3
175.03891	1.1
176.01082	24.8
177.01846	4.0
178.99713	1.8
179.03415	4.8
189.01797	1.4
190.02699	3.6
190.99805	3.2
191.03438	9.4
192.00546	3.5
193.01338	1.9
201.01920	1.2
202.99812	39.1
204.00121	1.8
205.01372	1.1
206.99336	1.9
207.02892	6.0
208.00053	2.8
211.02466	4.8
218.99359	4.5
220.00067	1.3
221.00891	9.2
227.03424	0.9
229.01259	1.3
235.02434	26.4
236.02798	1.7
245.01050	1.1
246.98802	37.4
247.99263	2.2
251.01935	1.1
253.09286	1.1
271.04590	8.6
273.00439	1.0
274.01086	0.9
276.99939	3.6
279.01453	100.0
280.01843	6.0
285.04004	1.5
287.22177	5.0
299.99274	1.2
300.99829	2.3
311.05698	0.9
313.05844	1.0
327.08801	1.0
341.06601	1.0
397.05496	1.6
424.45297	0.9
429.08279	1.0
522.33868	1.1
523.22070	17.1
523.34619	2.2
524.22614	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	523.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07731	0.5
52.31527	0.6
55.01752	0.8
57.03326	1.2
59.01252	41.3
60.01587	2.0
61.11628	0.7
61.98700	6.2
63.02268	0.7
65.00175	1.2
66.18308	0.7
67.01764	1.2
68.16692	0.7
68.99693	0.8
69.03332	0.8
71.01254	13.3
71.15759	1.5
72.01580	0.6
72.99182	1.7
73.02824	4.1
74.35294	0.6
75.02265	1.5
80.02497	0.7
83.01264	2.1
83.04910	1.2
83.24226	0.5
85.02831	4.7
87.00744	1.4
87.04398	1.6
89.00203	0.8
89.02319	4.2
91.01767	5.9
93.03326	1.6
95.01277	3.3
95.04901	0.8
96.03246	0.6
96.95909	0.8
97.02847	1.3
97.06501	0.6
99.00735	2.0
99.04414	0.7
101.02332	9.4
102.02657	1.0
103.01770	1.1
107.01278	2.5
107.04902	0.7
108.02065	2.8
109.02834	2.2
111.00774	3.2
113.02310	4.6
114.02682	0.9
119.01270	8.1
119.03418	1.0
121.02842	2.4
123.00771	4.5
124.01539	1.6
125.02357	7.5
129.01833	1.0
131.01279	5.9
131.03419	0.9
132.02106	0.9
133.02832	3.2
135.00754	1.3
135.04416	2.9
136.01590	1.4
137.02327	2.8
137.99506	0.6
139.00258	1.9
140.01050	1.3
143.07181	0.6
145.02892	1.2
147.00786	26.0
147.04468	0.6
148.01575	5.3
149.02339	2.8
149.09552	0.7
151.00282	1.8
151.03932	2.7
153.05394	0.8
155.07007	1.0
159.00775	4.8
159.02878	0.7
159.11850	0.7
160.01608	1.2
161.02338	1.8
161.04463	3.0
161.09464	0.7
163.00272	6.8
163.03918	2.4
164.00945	1.1
165.01840	2.6
166.99875	1.0
168.00542	1.9
169.01343	7.7
171.01707	0.7
175.00290	25.2
175.03827	0.9
176.01074	25.1
177.01744	4.7
178.99751	2.1
179.03412	5.4
189.01894	1.2
190.02643	2.9
190.99796	3.9
191.03409	8.7
192.00580	4.1
193.01378	3.2
195.02930	0.6
196.35138	0.7
197.26448	0.6
202.99799	34.4
204.00198	2.0
205.01396	1.4
206.99327	3.0
207.02869	4.9
208.00084	2.4
211.02403	3.3
212.02812	1.5
213.05498	0.7
217.15718	0.7
218.99289	12.2
219.99905	2.6
221.00891	10.1
230.99258	1.0
233.04395	0.9
235.02440	27.8
236.02901	1.1
236.95622	0.7
241.05135	0.8
246.98801	37.5
247.99191	2.7
248.03195	0.7
251.01958	2.0
261.07663	2.9
271.04608	3.2
272.04922	3.4
273.05042	1.8
275.01892	0.9
276.99930	5.6
277.03244	1.2
279.01456	100.0
280.01852	6.3
291.01419	0.9
300.99860	1.1
317.20026	1.1
331.21100	1.3
340.01920	0.8
361.29501	0.7
376.11108	0.8
429.07639	0.8
448.06631	1.0
462.31439	1.2
463.25562	1.7
477.05688	0.7
522.20679	1.7
522.33636	40.2
523.21460	12.4
523.34320	16.3
524.22107	1.2
541.54803	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97754	0.5
55.01759	4.4
57.03330	5.3
58.00478	1.3
58.80752	0.6
59.01254	23.4
61.98705	0.7
64.90563	0.5
67.53355	0.5
68.99685	0.6
69.03316	1.1
69.45722	1.1
69.46109	4.3
71.01257	30.1
71.04903	0.5
72.01586	0.7
72.99180	1.9
73.02822	11.9
75.00747	0.8
83.01260	7.8
85.02829	17.7
87.00744	2.2
88.39629	0.5
88.92208	0.5
89.02325	5.0
95.01263	3.4
97.02823	1.0
97.06480	0.5
98.19798	1.1
99.00754	4.6
101.02328	25.8
102.02668	0.7
107.01280	1.1
108.02032	0.6
109.02850	0.7
110.00570	0.5
111.00778	5.1
113.02335	12.9
119.03397	1.9
123.00751	2.8
123.08024	0.9
125.02338	5.2
127.11192	1.1
129.01801	1.2
137.09599	2.5
139.00244	1.1
140.01010	0.6
141.01839	0.9
141.09122	0.7
143.03374	0.8
151.00383	0.7
153.12726	1.1
155.10669	3.6
157.12248	1.6
159.02933	3.0
161.04477	4.2
166.99574	0.6
167.10667	1.3
167.49718	0.6
168.00528	1.2
169.01358	8.4
169.12245	0.5
171.13843	0.8
176.69379	0.5
200.27225	0.5
201.14890	4.4
211.02443	3.5
214.99919	0.5
230.15314	2.4
271.04562	3.9
284.84561	0.5
301.00015	0.9
319.17816	0.6
331.06705	1.1
359.28040	25.0
360.28391	3.4
391.23636	1.0
433.27975	0.9
503.32260	1.1
521.20325	8.0
521.33295	100.0
522.20782	2.3
522.33673	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	521.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11534	0.4
55.01762	2.2
57.03329	1.4
59.01253	67.6
60.01596	0.8
61.98696	1.8
65.29264	0.5
69.03323	0.5
69.62492	3.7
71.01257	14.3
72.99195	1.3
73.02814	5.3
75.00768	0.5
79.90669	0.5
83.00221	0.4
83.01272	3.5
85.02824	8.9
86.00010	0.7
87.00768	1.0
89.02314	2.8
95.01293	1.8
95.24223	0.5
97.02837	0.5
98.20524	1.0
99.00794	2.0
101.02329	13.2
107.01277	2.8
111.00776	2.7
113.02350	4.4
119.03328	0.6
123.00799	3.8
124.01589	1.1
125.02342	15.3
125.03220	0.8
126.02739	0.5
136.98743	0.9
139.00323	1.5
140.01099	2.0
151.00363	1.7
157.34782	0.5
159.02931	0.8
161.04509	2.3
167.03459	1.0
168.00580	6.0
169.01349	19.1
170.01764	1.2
211.02440	26.7
212.02919	1.1
241.03627	0.7
271.04593	42.6
272.05066	2.9
278.54330	0.5
299.25873	0.7
304.71472	0.5
329.19827	0.9
331.06616	4.4
341.27292	0.5
359.28073	2.9
424.48398	0.5
437.55234	0.6
445.45715	0.5
461.31329	3.1
503.32813	1.2
521.21063	23.0
521.33270	100.0
522.21307	4.3
522.33588	15.3
536.76758	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42011	0.4
55.01759	3.6
57.03323	3.7
59.01249	13.3
66.27576	0.5
69.03301	0.7
69.31730	1.0
69.32141	4.3
69.96815	0.5
71.01254	20.5
71.31679	0.4
72.99177	1.2
73.02819	8.8
75.00742	0.5
83.01246	5.0
85.02820	12.7
87.00735	2.1
89.02321	1.6
95.01260	2.2
97.02810	1.3
99.00755	3.6
101.02320	19.2
111.00750	3.3
113.02344	7.5
119.03363	0.9
123.00734	1.1
125.02320	1.8
127.11164	1.5
129.01854	1.4
131.03421	0.6
137.09612	2.6
139.00333	0.6
143.03357	0.8
153.12787	1.1
155.10675	3.0
157.12202	1.0
159.02953	2.6
161.04448	3.9
169.01288	1.5
182.99529	0.6
184.44194	0.5
201.14903	3.4
216.88324	0.5
230.15244	2.5
271.04626	0.6
273.32278	0.6
319.17563	0.7
359.15051	0.8
359.28015	24.1
360.28473	3.0
423.05319	0.6
430.79288	0.6
519.32361	0.5
521.20331	5.0
521.33289	100.0
522.20905	0.9
522.33594	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	521.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01563	0.4
55.01756	4.4
57.03321	4.6
58.00456	1.8
59.01252	20.7
62.01614	0.4
62.39854	0.4
68.29980	0.5
68.99700	0.5
69.03313	1.0
69.31718	0.4
69.32060	4.5
71.01254	32.1
72.34014	0.4
72.99174	1.8
73.02819	12.5
75.00741	1.2
75.56219	0.4
83.01257	7.4
85.02823	17.5
85.99959	0.9
86.03145	0.5
86.79640	0.4
87.00739	2.6
87.04385	1.2
88.77632	0.4
89.02313	3.7
95.01257	3.1
97.02856	1.0
98.20600	0.6
99.00761	4.3
99.04369	0.5
101.02322	26.4
102.02669	0.5
107.01252	1.4
109.02861	0.6
109.06470	0.5
111.00777	5.5
113.02332	10.5
119.03340	1.1
121.10132	3.2
123.00739	1.8
124.01554	1.0
125.02352	6.9
125.09608	0.5
127.11152	0.6
129.01820	1.5
137.09625	1.3
140.01051	0.6
141.01813	1.2
141.12749	2.0
143.03381	0.8
152.29300	0.4
153.12682	0.5
155.10739	2.0
157.12253	0.5
159.02892	4.0
161.04457	4.7
163.67805	0.4
168.00545	2.9
169.01338	11.3
171.13817	1.7
179.05550	0.5
183.13782	0.5
187.13313	1.5
187.24963	0.5
201.14885	9.9
202.15227	0.9
211.02391	12.6
230.15155	1.3
251.11246	0.5
271.04593	21.8
272.04865	1.3
299.26099	0.4
300.99695	0.5
331.06723	4.0
332.07162	0.8
359.28021	19.3
360.28461	2.6
363.20224	5.5
461.31406	0.9
491.31964	1.0
503.32217	1.0
519.31830	1.1
521.20325	4.0
521.33282	100.0
522.21631	0.8
522.33673	15.1
540.59595	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81625	0.7
55.01759	2.0
57.03328	2.2
58.00465	3.3
59.01253	100.0
59.98424	0.7
60.01601	1.5
61.98715	3.5
62.15029	0.7
62.63492	0.6
67.69965	0.7
69.03323	1.7
69.26478	7.8
71.01255	44.8
71.04875	0.8
72.99185	7.7
73.02821	20.7
74.60458	0.6
75.00755	1.9
81.03308	0.8
83.01261	3.8
85.02824	14.9
86.00005	0.9
87.00746	7.3
87.04405	3.0
89.02317	35.9
90.02692	0.7
93.03331	0.7
95.01297	2.4
96.10967	0.6
97.02833	2.2
97.06475	1.2
98.20535	1.8
99.00777	2.3
99.04398	1.3
101.02325	52.7
102.02661	1.3
103.03893	16.0
107.01262	1.1
109.02882	0.9
111.08035	0.6
113.02335	12.2
115.03881	4.6
119.03398	13.1
123.00819	1.7
123.04462	1.6
125.02344	7.2
127.03915	1.5
131.03391	10.9
135.04433	1.5
143.03418	10.3
145.04968	6.1
149.04492	2.0
153.05473	2.4
159.02916	0.8
161.04488	5.2
163.06036	52.3
164.06392	1.7
167.10710	10.8
168.00548	1.0
168.11067	0.8
169.01315	4.5
175.03918	0.8
179.05534	3.5
201.14995	1.2
205.07115	18.9
206.07411	1.0
211.02477	1.4
245.00989	0.7
245.57262	0.9
265.09268	3.9
271.04675	2.3
285.20834	1.2
293.08679	1.0
301.00015	0.8
307.10400	0.8
315.18393	1.2
329.19620	1.9
359.14578	0.8
359.28094	6.2
360.28043	0.8
375.23953	1.4
461.23834	11.0
462.24213	1.4
477.24283	0.8
521.21552	4.3
521.33398	22.9
522.20740	1.5
522.33673	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	521.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57314	1.8
58.00468	2.9
59.01254	40.7
69.91843	9.1
71.01259	28.4
72.99175	1.5
73.02819	5.5
75.77143	1.3
78.90515	1.5
83.01248	4.1
83.97231	1.3
85.02830	12.9
87.00756	1.7
89.02316	16.2
91.06382	1.4
95.01266	2.7
98.19834	2.2
99.00740	2.1
101.02333	14.4
104.44474	1.4
108.02019	1.6
109.02831	8.1
113.02327	10.3
119.03381	6.1
120.75568	1.6
125.20805	1.6
135.24255	1.2
137.16074	1.7
159.04425	4.1
168.00558	2.2
169.01331	2.5
173.06006	3.9
189.05473	2.0
203.07077	1.7
240.04150	1.9
241.05006	5.6
253.05042	2.3
255.06512	2.5
267.06717	1.7
281.08200	2.6
295.09894	2.2
299.09180	2.4
311.08966	7.3
313.10834	8.4
326.11606	6.2
329.10281	3.5
341.13934	5.4
344.12665	32.3
345.12924	5.9
353.47183	1.7
359.15030	68.4
360.15329	6.5
521.20276	100.0
522.20557	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	521.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25226	0.9
55.01745	1.5
57.03307	1.7
58.00456	2.9
59.01252	100.0
60.01579	1.1
61.98703	2.0
69.03323	1.4
69.40369	8.0
71.01255	38.3
72.99178	11.0
73.02818	22.4
75.00730	0.9
83.01250	4.2
83.04890	0.8
85.02818	14.2
85.99965	0.8
87.00757	8.2
87.04385	2.8
89.02318	31.5
93.03337	3.3
95.01297	1.9
97.02831	1.2
99.00793	1.7
99.04356	1.4
101.02325	50.8
102.02683	1.5
103.03886	19.2
113.02322	8.3
115.03874	4.5
119.03389	14.3
121.02849	1.0
123.00742	1.0
123.04379	1.9
125.02328	5.9
127.03912	1.8
131.03403	7.4
135.04362	1.3
139.00296	1.0
143.03398	10.9
145.04976	6.5
149.04529	1.3
150.22351	1.0
153.05415	2.4
159.02910	0.9
161.04463	3.7
163.06038	65.7
163.72540	0.9
164.06294	2.3
167.10703	1.2
169.01370	4.2
179.05476	4.3
193.04961	1.2
201.14983	1.2
205.07095	25.8
206.07439	1.2
211.02478	0.9
213.05461	2.6
232.43422	0.8
265.09232	4.4
266.09686	0.9
271.04517	2.1
285.20706	4.1
300.99979	1.3
307.10446	1.2
315.18030	1.4
325.11557	1.0
359.28036	4.3
461.23914	14.6
462.23907	1.8
465.97751	0.9
489.80713	1.0
521.19989	3.2
521.33209	15.8
522.18787	1.0
522.33557	2.1
533.95984	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.9
57.03321	1.8
58.00462	2.5
59.01252	53.7
69.35758	0.8
69.36047	9.0
71.01253	33.1
72.76723	0.9
72.99173	3.7
73.02818	6.3
81.70126	0.9
83.01249	4.1
85.02823	11.2
87.00732	2.1
89.02312	15.3
93.71638	1.1
94.12261	0.8
95.01280	2.0
99.00753	2.7
101.02326	19.2
102.02654	0.9
108.02045	1.6
109.02839	12.3
113.02329	7.4
119.03388	6.6
122.98882	0.9
123.04416	1.4
123.80887	0.8
158.49040	0.8
159.04434	7.2
161.04428	1.5
171.13423	0.9
172.05188	1.9
173.05995	7.2
187.07616	1.4
189.05406	4.4
190.06207	1.9
191.07037	2.8
203.07047	1.6
205.08707	1.1
240.04134	1.6
241.05009	10.1
253.04970	2.4
255.06662	5.3
266.05713	1.2
267.06396	2.0
268.07510	2.4
269.08286	2.1
278.05594	1.1
279.06512	1.2
280.07422	1.8
281.08197	3.9
283.09686	2.2
295.09787	2.8
296.10587	1.6
298.08411	1.2
299.09256	7.7
300.09619	1.3
309.11081	1.0
311.09253	6.0
313.10818	10.1
326.11639	3.1
327.12180	2.0
329.06665	0.9
329.10352	4.1
341.14029	6.1
343.11761	2.4
344.12598	25.9
345.13016	3.1
359.14990	78.3
360.15414	8.7
521.20270	100.0
522.20599	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	521.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.7
58.00470	5.5
59.01251	100.0
69.68189	4.1
69.68600	4.8
71.01251	72.3
72.99172	6.3
73.02810	2.4
79.61729	1.6
80.61053	1.6
83.01247	3.1
85.02818	9.4
87.00748	4.8
89.02319	85.2
90.02646	2.4
95.01263	6.7
96.95882	4.4
98.19772	2.0
98.95516	2.4
101.02323	45.9
102.80197	1.4
108.02071	4.2
109.02833	4.6
113.02322	25.9
119.03381	42.7
121.02824	3.1
123.00755	5.3
123.04424	3.6
125.02348	7.8
131.03397	5.2
131.40250	1.8
137.95056	1.4
139.00322	1.7
143.03365	5.9
145.02859	4.6
149.04453	1.6
149.05937	1.6
159.04372	2.0
160.01413	1.6
160.05208	7.2
161.02348	2.7
161.04457	5.7
161.05966	3.2
163.00380	1.8
166.05022	5.9
166.99757	5.7
167.05296	3.2
169.01334	6.3
172.05194	3.5
173.04608	1.8
173.06003	5.4
175.03854	1.9
175.07571	3.4
179.05533	12.8
189.05475	6.5
190.06223	6.3
198.06789	3.2
205.08604	6.5
237.43613	1.7
281.08139	2.4
285.14935	8.2
296.10492	3.4
300.99759	2.9
311.12878	4.7
329.13846	4.4
341.13895	35.7
342.14194	3.2
344.78952	1.6
521.20941	8.7
522.21320	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	521.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91883	0.3
59.01246	2.2
68.99701	0.4
69.24315	3.7
71.01258	1.5
79.01780	0.3
83.01257	0.5
85.02837	0.8
87.00727	0.4
89.02300	0.5
95.01255	0.4
98.19816	0.5
101.02349	0.8
107.01280	1.7
111.00760	1.1
113.02338	0.4
116.57970	0.3
123.00776	2.9
124.01553	2.0
125.02339	13.4
126.02667	0.3
127.00254	0.6
136.98698	0.7
137.09583	1.0
139.00264	1.6
140.01048	1.4
141.01830	0.7
151.00275	2.2
167.03432	0.9
168.00558	7.8
169.01343	30.0
170.01689	1.1
183.02986	0.3
211.02432	53.8
212.02751	2.5
241.03534	2.0
251.86418	0.3
253.03200	0.3
271.04596	100.0
272.04959	5.8
331.06708	14.4
331.09805	0.2
332.07101	0.9
521.20282	7.6
522.20422	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02264	0.2
55.01754	0.4
57.03320	0.3
58.00457	0.3
59.00956	0.4
59.01247	5.1
65.00202	0.3
67.01755	0.5
68.99683	0.3
69.03313	0.6
69.32031	0.4
69.32433	1.7
71.00846	0.3
71.01249	4.6
72.99181	0.7
73.02817	0.6
75.77585	0.2
79.01775	0.5
81.03346	0.2
82.00479	0.3
82.94560	0.2
83.01277	0.7
85.02824	1.5
87.00735	0.5
89.02297	1.3
94.15752	0.2
95.01261	1.4
97.02839	0.5
99.00783	0.4
101.02338	2.2
107.01270	5.1
107.01961	0.4
110.00001	0.6
111.00762	2.2
113.02299	1.2
119.03380	0.4
121.02822	0.2
123.00768	6.2
124.01538	2.7
125.02337	26.1
126.02634	0.9
127.00238	0.8
133.96158	0.2
134.03615	0.2
136.98703	1.6
137.02316	0.9
139.00273	3.1
139.03894	0.5
140.01057	4.0
141.01797	0.7
149.02374	0.3
151.00285	2.9
153.01866	0.2
154.99658	0.3
155.03429	0.2
160.01689	0.2
161.02342	0.3
161.04416	0.2
165.01877	0.9
166.99835	0.4
167.03403	1.3
168.00555	12.6
169.01337	38.3
170.01680	1.5
181.01299	0.3
183.02919	0.7
187.00037	0.2
193.01404	0.3
211.02425	53.9
212.02768	3.2
213.89073	0.2
228.58241	0.2
241.03482	2.0
242.70779	0.2
253.03586	0.2
270.03943	0.2
271.04581	100.0
272.04913	5.7
313.05533	0.4
331.06689	15.1
332.06894	1.0
359.03827	0.2
359.27933	0.8
521.20264	39.1
521.33142	3.3
522.20538	6.5
522.32739	0.3
543.60187	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	3.7
65.90215	0.3
67.01769	0.4
69.03310	0.5
70.05475	1.0
70.05879	0.6
71.01252	2.7
72.99152	0.5
79.01743	0.5
80.26723	0.3
83.01266	0.5
83.89924	0.3
85.02831	0.7
87.00759	0.5
89.02290	0.8
95.01260	0.7
97.02828	0.7
101.02309	1.0
107.01260	3.4
109.99952	0.3
111.00761	1.8
113.02324	1.2
123.00758	5.6
124.01531	2.2
125.02335	21.7
126.01717	0.3
126.02666	0.7
127.00264	0.8
136.98683	1.1
137.02373	0.5
137.09624	1.5
137.66200	0.4
138.63846	0.3
139.00269	2.3
139.03915	0.6
140.01039	2.9
141.01831	0.6
141.22394	0.3
151.00279	2.6
153.01923	0.3
154.99677	0.4
165.01808	0.6
167.03387	1.3
168.00563	9.6
169.01338	29.6
170.01682	0.8
210.71227	0.3
211.02420	49.5
212.02734	2.5
221.97388	0.3
222.77586	0.3
241.03522	1.5
271.04587	100.0
272.04947	5.5
313.05765	0.4
331.06696	18.8
332.07019	1.6
491.19290	0.4
503.19199	0.8
505.20926	0.3
521.20276	15.3
521.32922	0.8
522.20795	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	520.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.7
61.31126	0.4
67.32410	0.5
72.68874	0.4
78.95779	48.1
96.95882	1.3
96.96846	6.6
146.44249	0.5
150.97925	2.0
152.99493	100.0
153.99841	1.8
154.97258	0.5
158.22070	0.5
168.16917	0.5
171.00583	4.4
266.08133	0.5
277.21667	0.9
279.23251	1.1
309.20782	0.5
321.56851	0.6
433.23615	19.5
434.23911	2.3
520.26904	3.2
520.34015	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40351	0.5
55.01755	2.2
57.03316	1.8
58.00473	1.2
59.01255	24.6
62.94086	0.6
66.42014	0.5
68.99706	0.7
69.53064	4.7
69.53396	0.7
71.01257	19.5
71.61517	0.5
72.99176	2.1
73.02823	3.9
83.01258	4.7
85.02827	9.9
85.99992	1.5
87.00759	3.8
87.44970	0.6
89.02331	6.1
95.01265	2.4
97.02889	0.8
99.00775	2.0
101.02322	13.6
108.02094	0.9
109.02802	1.2
111.00777	1.6
113.02336	6.1
119.03383	2.4
121.02850	5.7
123.00803	1.0
125.02366	1.8
129.01831	0.7
135.04422	1.0
139.00183	0.6
145.02847	2.3
146.03635	0.7
147.04391	1.5
149.06081	0.6
151.03897	0.7
159.03166	0.6
159.04443	1.9
161.04523	0.7
161.05994	0.7
166.04984	4.1
167.05360	2.0
169.01355	1.7
180.07851	1.2
238.06361	0.9
239.07071	1.0
240.04227	1.8
251.07329	0.7
253.08662	1.2
254.06003	0.9
255.06654	2.5
263.07053	1.1
265.08737	2.2
266.05820	1.0
267.06720	3.1
268.07422	3.9
269.08246	5.7
270.08954	2.5
280.07434	1.6
281.08188	12.4
282.08929	5.8
283.09735	8.5
284.10184	1.4
293.08185	5.0
294.08829	1.3
295.09753	5.2
296.07443	0.8
296.10522	3.0
297.11340	1.4
299.09256	4.2
300.10013	1.7
300.99747	0.6
302.07834	0.9
308.10281	0.6
309.11328	1.5
311.09216	5.3
312.09903	2.2
313.10788	1.0
314.07941	3.0
314.11624	8.3
315.12332	4.6
325.10754	1.4
326.11572	14.5
327.12338	12.1
328.12854	1.4
329.13953	9.9
330.14221	1.2
340.09488	1.0
341.09906	1.2
341.13901	13.5
342.14386	1.5
343.11755	2.5
344.11948	0.7
355.11951	6.5
356.12512	1.1
357.13345	1.1
369.13351	1.4
385.15140	2.0
445.15005	2.1
461.14508	1.2
473.14426	8.2
474.15097	1.2
476.16946	8.9
477.17316	1.0
488.16879	11.7
489.17389	1.3
491.11893	1.1
491.19269	88.8
492.19608	11.8
503.19250	100.0
504.19638	14.4
521.19739	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	36.7
63.02264	5.4
65.00200	6.6
65.99697	6.4
71.01260	26.8
80.08621	4.5
83.01295	5.6
89.02312	16.2
92.24545	4.5
92.82189	4.4
93.03322	6.0
95.01277	13.1
101.02325	14.6
106.30545	5.5
107.01241	9.0
108.02048	6.7
109.02825	40.9
121.02863	9.1
123.00771	10.3
123.04496	6.8
125.02364	12.7
133.02852	8.2
134.02325	14.3
135.00784	7.6
137.02318	35.4
147.00807	6.5
148.01538	47.5
149.02310	19.3
151.00269	26.6
152.00960	6.2
155.74951	5.2
159.04388	7.8
161.02333	10.4
162.01894	36.1
163.00258	24.0
163.02612	5.7
163.03851	5.9
164.03401	20.8
165.01881	6.4
169.01308	8.5
171.04480	5.3
175.04001	5.7
176.03423	6.0
177.01852	81.3
178.02245	4.6
178.99765	15.9
181.95381	5.1
186.01865	19.7
187.03932	5.6
190.01335	11.6
190.26819	4.6
191.02048	9.9
192.00673	4.5
199.03955	8.5
202.01280	7.3
202.99765	21.5
203.01904	7.8
204.02966	66.4
205.01326	8.2
215.03391	9.7
218.28017	5.3
227.03407	19.3
229.91148	6.8
230.00867	29.1
241.05157	6.0
243.02852	24.0
247.01059	6.5
255.02969	10.1
266.04465	5.2
271.02405	40.1
272.03049	12.6
273.04037	8.4
283.02509	5.7
285.04031	7.8
287.01965	7.7
288.02844	7.5
294.04138	14.5
295.02570	6.4
299.01910	60.6
300.02548	17.5
301.03198	6.7
310.03513	7.4
311.07684	12.3
312.02478	6.3
313.03445	21.4
316.02173	24.3
317.02985	34.6
322.03625	21.2
339.03854	36.2
340.04602	52.9
343.06598	7.9
344.12628	11.2
355.06677	19.7
357.04984	9.2
358.05643	5.9
359.14877	34.0
384.09430	39.8
395.14438	5.6
410.07123	32.7
462.08121	7.4
479.08215	15.5
490.42252	4.6
502.09897	37.1
503.09967	8.7
520.10974	100.0
521.11188	14.4
521.20166	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53311	4.4
57.47355	4.0
59.01245	6.0
60.77309	4.4
61.72117	5.3
69.39426	11.5
69.39832	33.7
71.01227	4.2
82.79329	5.4
83.69369	5.9
89.05728	4.4
123.00795	5.5
123.95132	4.7
125.02335	9.9
129.03342	5.3
130.51262	4.4
145.02808	4.6
163.53317	4.4
169.01352	19.4
173.02423	9.8
187.94470	4.5
189.01796	8.7
190.02554	5.8
191.03546	6.9
192.00581	6.5
200.01065	10.6
201.01881	5.3
202.62929	4.5
207.02892	6.6
213.01956	7.7
217.01385	8.1
229.01480	9.5
230.99457	6.1
242.99274	10.2
243.02988	5.5
244.00024	7.2
245.00899	30.8
247.02452	11.4
261.00473	6.0
264.71973	4.5
270.98868	65.0
271.99564	16.8
273.00397	72.4
274.00775	13.5
285.00275	12.6
295.01239	15.9
296.01956	17.8
297.00232	5.8
298.98337	90.8
299.01505	4.2
299.99103	73.0
300.99860	56.9
312.99704	27.1
314.03235	8.1
316.99347	19.3
321.99884	7.9
324.01474	10.7
340.00882	14.1
357.01205	7.1
435.05682	11.5
436.06409	35.6
458.07144	11.2
462.04413	69.0
463.05231	47.1
476.08545	13.3
479.04837	6.4
480.05112	12.6
502.06299	45.5
520.07367	100.0
521.07886	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	519.3173
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
51.04030	0.3
51.52470	0.4
55.01757	0.7
57.03313	1.0
58.00454	0.7
59.01252	11.9
61.98710	0.9
62.60891	0.3
66.28251	0.4
69.29800	1.0
69.30214	3.0
70.11396	0.3
71.00897	0.6
71.01260	10.0
72.99171	1.0
73.02829	2.0
73.24739	0.4
83.01264	1.4
85.02827	3.6
87.00724	0.7
89.02330	3.0
95.01268	0.8
99.00782	0.7
101.02320	5.8
108.76336	0.4
111.00723	0.6
113.02328	3.2
119.03362	0.6
125.02314	0.7
143.64159	0.3
151.09601	0.4
151.10895	0.3
161.04462	0.6
169.01402	0.4
171.10214	0.9
223.13402	0.5
244.22607	0.4
297.24374	0.6
309.24335	3.0
321.24490	0.7
325.24103	0.5
327.25397	8.7
328.25714	1.2
334.89105	0.4
339.25400	8.5
340.25757	1.0
345.05417	0.4
355.25192	0.4
357.26456	22.8
358.26810	1.8
399.27444	0.4
444.36148	0.4
489.30762	1.4
501.30899	0.9
519.31744	100.0
520.32092	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	519.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	5.6
57.03324	4.7
58.00450	0.9
59.01250	18.6
69.03318	0.8
69.49837	2.6
69.50269	3.7
71.01254	28.9
72.99188	1.2
73.02823	11.9
81.90386	0.6
83.01262	7.6
85.02336	1.4
85.02821	16.7
87.00750	2.4
87.04358	1.3
89.02293	3.3
93.71542	0.6
95.01289	1.9
99.00750	4.8
101.02327	24.3
101.03001	1.2
108.97697	0.6
111.00767	5.1
113.02324	11.6
125.02340	1.3
129.01834	1.9
131.03363	0.9
133.10225	0.8
139.11185	1.9
143.03372	1.6
151.11171	1.6
155.10733	0.9
157.12253	2.8
159.02911	3.3
161.04485	5.4
163.11235	0.9
169.12195	0.9
185.11867	0.7
186.12590	1.2
187.13345	1.5
199.13412	1.5
201.14880	1.7
205.79056	0.8
209.64468	0.7
228.13588	0.8
291.41629	0.8
309.24109	0.9
319.17386	1.1
339.25339	1.1
347.17468	1.1
348.17822	3.6
357.26431	24.8
357.30899	1.4
358.26788	2.9
459.29965	1.0
465.28424	0.8
483.29593	2.7
489.30835	1.7
501.30801	4.0
502.31064	0.9
517.30127	1.3
519.31750	100.0
520.32074	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	519.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95425	0.9
54.99657	1.3
55.01748	3.6
57.03319	6.2
58.00461	6.5
59.01250	100.0
60.01571	2.1
61.98709	1.8
69.03331	1.9
71.01252	87.5
71.04897	2.0
72.01603	1.9
72.99172	5.8
73.02436	1.9
73.02818	21.5
75.00722	1.9
83.01245	9.1
85.02825	33.0
87.00747	8.7
87.04391	3.2
89.02315	58.6
95.01257	7.4
97.02847	1.8
97.06485	2.0
99.00748	7.1
101.02322	70.0
103.03881	3.4
109.06459	1.5
111.00753	3.5
111.07973	1.4
113.02325	34.2
119.03389	29.1
121.10053	1.5
123.00761	1.1
125.02323	4.3
125.09573	1.5
127.11134	2.1
129.01810	2.0
131.03419	6.9
139.00291	1.0
139.11195	3.4
141.01826	1.1
141.12769	3.0
143.03383	6.4
145.05023	1.4
149.04462	2.4
151.11157	2.7
153.12669	1.2
155.10661	1.2
157.12244	5.6
159.02895	4.2
161.04453	13.8
163.06027	9.2
163.11221	1.2
165.12778	2.3
169.01358	3.4
169.12178	3.3
170.08980	1.0
171.13765	1.5
179.05525	9.8
181.12277	3.2
186.12599	1.8
187.13336	2.3
188.76305	1.0
199.13318	3.9
201.14888	2.3
205.07133	2.7
211.02434	1.1
228.13557	4.6
297.24271	1.6
298.83823	1.1
309.24362	1.9
321.24417	1.4
327.18106	4.0
339.25308	9.1
340.25732	1.1
357.26450	55.1
358.26718	7.6
362.19510	2.9
489.30948	1.3
501.30688	2.4
519.18774	3.9
519.31732	82.2
520.32159	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	519.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.2
57.03327	2.2
59.01255	30.8
61.98699	4.8
64.96181	0.9
71.01259	16.4
71.04913	0.8
72.99192	2.0
73.02811	5.3
74.10607	0.9
75.00743	1.3
82.06576	0.8
83.01261	3.4
85.02821	5.8
87.00758	0.8
87.63877	1.0
89.02319	4.9
95.01277	1.1
96.95902	0.8
99.00786	1.7
101.02325	9.9
113.02303	5.8
119.03354	1.8
125.02357	1.3
128.21573	1.0
141.85982	1.0
146.47311	0.8
161.04460	1.7
169.01518	0.8
198.70129	0.9
199.13371	2.6
201.14630	0.8
214.94756	0.9
222.43449	0.9
222.73094	0.8
309.24454	1.2
327.25400	6.6
339.25415	3.9
357.26422	19.0
358.26947	1.6
358.43973	0.9
403.23593	1.3
459.29507	1.6
489.30688	1.5
501.31216	1.6
519.31848	100.0
520.32129	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	519.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	4.6
55.89811	1.3
57.03315	6.9
58.00452	5.2
59.01253	100.0
60.57093	1.1
61.98686	3.8
68.73302	1.3
69.03316	1.5
69.41059	13.1
71.01257	87.8
72.99168	6.5
73.02819	15.3
75.00735	2.6
83.01254	10.7
85.02824	26.0
87.00753	5.7
87.04383	2.5
89.02322	55.5
90.02684	2.0
90.53335	1.3
95.01251	6.1
99.00762	6.6
101.02330	60.9
107.01257	1.4
111.00735	1.9
113.02340	37.0
114.02589	1.7
119.03395	31.2
121.02924	1.3
123.00782	2.7
125.02340	4.6
127.11247	1.4
131.03406	10.3
136.15971	1.3
139.11182	3.2
143.03375	4.1
147.50151	1.4
149.04453	3.4
151.11142	1.5
157.12270	3.0
159.02905	3.2
161.04477	14.1
165.12756	4.9
169.01364	3.6
169.12236	1.3
175.04039	1.3
179.05499	6.7
183.13750	1.5
187.13382	2.4
199.13380	3.4
201.14972	1.9
224.22292	1.3
295.16483	1.5
295.90259	1.6
309.24387	2.0
327.18066	5.6
339.25421	5.8
357.26459	49.8
358.26678	5.0
369.64749	1.4
459.22275	4.6
519.18793	4.7
519.31775	95.0
520.32013	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	519.1871
Annotation	Tetracentronside B
Peak:m/z	Relative Intensity
50.35557	0.5
55.01754	1.6
55.79104	0.5
57.03318	1.7
58.00459	1.4
59.01254	33.2
60.01579	0.7
61.98689	2.4
62.40879	0.5
64.19627	0.5
66.23009	0.5
67.01329	0.4
67.01759	1.7
67.64415	0.4
68.99668	0.6
69.03325	1.5
69.28714	5.8
69.54086	0.5
71.01257	26.9
71.04903	0.8
72.99187	2.7
73.02827	5.2
74.61429	0.5
75.00759	0.7
79.01769	2.6
83.01260	3.2
83.04913	1.1
85.02825	8.9
87.00751	1.9
89.02325	16.4
93.03310	0.6
95.01272	5.6
97.02812	2.0
99.00732	2.0
101.02331	17.6
103.03892	0.6
107.01265	7.0
107.04912	1.3
108.25648	0.6
109.99973	0.8
111.00779	4.0
113.02340	10.4
115.03907	0.5
119.03388	9.3
121.02850	11.6
122.03156	0.7
123.00774	23.5
124.01566	1.5
125.02343	32.7
126.02682	1.1
127.00275	1.5
131.03407	1.7
131.49190	0.5
135.04404	0.7
136.98723	1.8
137.02332	1.1
139.00272	7.1
140.01079	5.4
141.01868	3.5
143.03394	1.2
144.61487	0.5
145.04901	0.6
149.04443	0.8
151.00282	17.0
151.03903	0.9
152.00607	0.6
153.01843	1.2
154.99756	0.5
157.12216	0.8
159.02905	1.3
161.04462	3.9
163.03972	0.6
163.05806	0.5
163.11218	0.6
165.01831	0.6
165.12794	0.9
166.99818	0.9
167.03461	0.7
167.53857	0.6
168.00568	6.1
169.01352	37.9
170.01622	1.6
179.03322	0.7
179.05539	2.3
210.92162	0.6
211.02428	3.6
223.02411	0.6
235.06102	1.3
253.03481	0.7
271.04584	3.9
277.07111	1.2
281.06329	0.6
313.05557	3.4
327.17905	0.7
329.04858	0.5
337.09274	4.7
339.25479	1.4
354.10403	0.5
355.22403	0.6
357.13477	2.0
357.26459	10.3
358.26727	1.2
359.53796	0.5
387.23993	0.8
397.11392	9.5
398.11404	1.5
504.74878	0.5
519.19330	100.0
519.30981	24.3
520.19775	15.6
520.30945	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	519.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59335	0.3
59.01245	4.4
69.03319	0.4
69.17825	0.3
69.34345	2.7
69.34756	0.5
71.01257	2.5
72.99203	0.5
83.01255	0.4
85.02859	0.6
89.02329	1.1
95.01256	0.7
98.47831	0.3
99.75019	0.3
101.02328	1.2
107.01279	2.5
111.00768	1.5
113.02349	0.6
114.51098	0.4
119.03425	0.6
123.00760	2.3
124.01550	2.2
125.02344	17.9
126.02679	0.7
127.00275	0.5
133.09193	0.4
136.01521	0.5
136.98711	0.9
137.02347	0.5
139.00316	2.0
139.03888	0.5
140.01096	2.8
151.00290	1.5
151.03914	1.0
154.99776	0.5
165.01845	0.8
166.05031	0.5
167.03447	1.2
168.00571	9.5
169.01349	24.1
170.01669	0.9
171.08099	1.3
187.07982	0.3
187.11250	2.1
192.98454	0.3
193.01376	0.5
210.38789	0.4
211.02438	44.8
212.02809	2.0
241.03525	1.5
271.04599	100.0
272.04974	5.9
331.06735	13.0
332.06985	0.9
342.10785	0.3
357.13467	1.2
519.18793	13.4
520.18927	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	519.1868
Annotation	(-)-Pinoresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.25752	1.0
57.03328	1.0
59.01247	12.1
65.00222	1.3
71.01255	8.3
71.57720	1.2
71.58107	1.7
73.02853	2.0
81.06123	1.1
85.02821	5.2
87.00774	1.5
89.02309	5.5
93.03344	2.6
94.53865	1.2
95.01276	2.3
99.00771	1.4
101.02296	5.0
108.02044	1.2
108.08085	1.1
109.02825	2.1
109.99928	1.1
111.00790	2.3
113.02365	3.2
119.03365	1.6
120.52850	0.9
121.02821	5.1
122.03633	3.1
123.00812	3.6
123.04418	1.2
125.02355	4.0
134.03677	1.5
135.04402	1.8
136.01569	74.5
136.05222	1.2
137.02252	3.5
139.00336	2.1
151.00346	2.6
151.02843	3.4
151.03918	100.0
152.04277	4.4
160.05225	1.2
161.02361	3.8
161.04472	2.1
162.01891	1.3
162.03156	2.2
163.03946	3.2
166.05013	40.8
166.99718	2.9
169.01399	5.4
177.01883	2.3
178.99817	1.9
179.03453	2.2
180.02914	1.7
191.05620	1.1
193.01367	1.5
199.03799	1.4
227.03461	1.3
235.74426	1.1
269.79068	1.0
271.02429	2.1
276.03122	1.2
285.03809	1.1
300.99966	1.5
316.02127	1.4
340.04578	2.6
342.11087	4.5
357.13425	87.2
358.13773	10.3
372.59131	1.1
425.00723	1.1
479.08298	1.5
493.09769	1.6
519.14368	1.9
519.23822	1.3
520.10791	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	519.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01734	1.6
57.03309	2.9
58.00461	2.4
59.01254	50.0
61.98696	4.1
65.00214	2.4
67.01768	2.4
69.03320	2.9
69.12897	1.0
69.25620	1.6
69.25960	13.3
71.01254	44.0
72.99181	4.6
73.02827	7.4
75.00745	1.9
79.01761	3.8
83.01257	6.6
83.04884	3.1
85.02828	12.4
87.00746	5.3
87.04391	1.4
89.02324	20.8
95.01260	11.4
97.02843	3.0
98.19765	2.3
99.00775	3.9
101.02324	28.8
107.01279	15.5
107.04877	1.6
109.02808	1.3
111.00755	8.1
113.02333	14.7
116.63382	0.9
119.03397	9.9
121.02847	49.3
122.03131	1.7
123.00774	53.1
124.01592	3.7
125.02338	57.3
127.00250	2.9
129.01787	1.1
136.01488	1.2
136.98676	5.6
137.02364	2.0
139.00273	15.4
140.01059	11.3
141.01849	8.7
143.03438	1.6
151.00282	28.6
151.03952	2.7
152.17862	1.0
153.01857	3.2
159.02878	2.0
161.04483	4.5
165.01860	1.2
166.57890	1.1
166.99782	4.9
168.00569	12.9
169.01347	72.6
170.01581	1.6
175.03923	2.0
177.01755	1.1
177.03896	3.2
179.05527	2.5
185.11769	1.2
189.05504	1.9
191.07094	5.1
205.06921	1.4
206.27774	1.1
211.02440	8.4
217.05067	2.4
235.06143	6.9
243.09447	1.3
271.04614	4.9
277.07156	5.9
313.05490	6.7
321.24323	1.8
327.24829	1.2
337.09247	19.3
342.10925	1.3
357.13599	5.2
357.26495	15.2
397.11389	43.5
398.11786	3.7
483.18915	1.2
519.15314	100.0
519.31171	34.8
520.15741	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	518.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11917	0.4
56.57242	0.4
56.97409	0.4
59.01246	1.2
60.49993	0.4
71.56829	0.5
78.95776	45.3
96.96842	5.7
102.18224	0.4
131.63364	0.4
150.97958	1.8
152.99492	100.0
153.99844	1.7
171.00578	3.5
271.44174	0.4
277.21780	0.7
292.97647	0.5
431.22028	19.0
432.22388	1.7
518.25201	2.3
518.32080	1.1
519.33099	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64494	0.8
55.01755	1.3
55.80364	0.8
56.68310	0.8
57.03301	4.0
58.00441	1.2
59.01249	35.1
61.98699	1.1
69.03320	1.5
69.36853	2.2
69.37263	7.4
71.01251	25.1
72.99185	2.2
73.02823	7.3
75.00785	1.0
75.52898	0.9
78.95813	1.0
83.01246	4.5
83.04926	1.1
85.02820	10.9
87.00768	2.8
89.02325	8.6
91.05372	2.1
93.03336	5.2
95.01256	3.8
95.04927	2.2
99.00761	3.0
101.02329	16.8
103.95441	1.1
107.01249	2.4
107.04917	4.1
108.02063	2.1
109.02834	9.0
109.06464	6.9
111.00774	2.4
113.02329	11.0
119.03370	2.9
119.04897	6.9
121.02843	11.7
122.03652	1.8
123.00771	6.4
125.02367	7.8
132.02057	13.3
133.02895	5.2
133.06491	1.3
134.02652	1.9
134.03636	29.5
135.04436	11.7
137.02333	2.6
137.05980	35.9
139.00209	2.3
139.03874	1.8
140.00989	1.5
140.56909	1.1
143.03346	1.7
147.04433	3.2
148.05176	1.7
149.05997	5.1
151.03906	1.4
155.10646	1.0
158.03636	1.7
159.02901	1.7
159.04468	0.9
160.01573	72.8
161.02173	4.4
161.04433	2.5
163.07588	2.5
166.06235	2.5
166.99718	2.8
168.00514	2.4
169.01358	11.5
173.06030	1.2
174.86377	1.0
175.03925	89.6
176.04683	10.1
177.00398	1.1
177.01860	3.0
177.05507	1.2
178.02661	3.3
179.03314	1.9
179.05504	1.5
181.04990	100.0
182.05298	4.5
182.84966	1.1
189.05525	2.1
191.07057	13.3
193.04990	33.6
194.05310	1.2
207.06573	5.1
211.02420	5.1
217.04927	1.8
220.03606	1.7
235.06087	33.9
236.06389	2.0
265.07126	9.8
269.02988	1.6
271.02039	1.7
271.04764	8.1
295.08237	13.3
300.02747	3.0
300.99994	1.7
301.03421	1.8
323.07626	2.2
337.09277	67.1
338.09628	6.4
343.10333	30.7
344.10657	2.9
357.26584	7.3
371.20764	1.5
483.29459	1.2
501.17416	1.0
501.30664	3.5
518.33276	1.1
519.14154	9.7
519.31689	33.6
520.19635	1.1
520.31958	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	518.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31707	0.3
59.01243	0.7
62.58678	0.3
67.01750	0.3
68.40314	0.3
69.03343	0.4
70.90630	0.6
71.01253	2.1
71.66373	0.3
76.53749	0.2
83.01231	0.3
85.02808	0.4
89.02307	0.3
93.03356	0.3
95.01253	0.6
97.02809	0.3
97.82552	0.2
101.02333	0.9
105.03223	0.3
107.01274	2.7
109.02885	0.3
111.00777	0.7
113.02323	0.6
116.04952	2.3
123.00760	2.9
124.01583	0.3
125.02338	14.7
126.02610	0.5
134.87781	0.3
136.37570	0.3
136.98750	0.5
137.02336	0.4
139.00293	1.5
140.01015	0.7
141.01817	0.5
151.00275	1.5
152.31227	0.2
159.03197	0.4
160.03955	100.0
161.04308	4.7
162.06886	0.3
163.00247	0.5
165.01839	0.7
166.99815	0.4
168.00557	1.0
168.01932	0.3
169.01341	20.9
170.01692	0.6
175.03755	0.3
185.00777	0.3
190.99763	0.3
193.01280	0.3
202.04988	0.3
204.03032	2.1
209.00905	0.3
211.02350	0.7
241.03551	0.4
249.14870	2.0
250.15320	0.7
260.44769	0.3
273.00494	0.3
293.13821	0.3
300.99979	0.9
313.05649	17.7
314.05969	1.4
322.09308	1.8
366.08276	17.3
367.08676	0.9
451.01147	0.3
474.10416	12.5
475.10834	1.7
476.84814	0.3
518.09448	13.3
519.09772	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	517.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73936	0.5
54.93398	0.6
55.01764	1.0
57.03330	1.5
58.00465	1.2
59.01251	27.8
60.06786	0.6
61.14859	0.6
61.98699	2.8
68.65897	0.5
70.44264	2.1
71.01257	16.6
72.99181	2.0
73.02820	3.7
77.98503	0.6
83.01242	2.9
83.04900	0.7
85.02823	6.2
87.00756	1.0
89.02319	8.1
93.56160	0.6
95.01264	2.3
96.95890	1.0
97.06471	1.6
98.88402	0.6
99.00765	0.9
101.02325	9.8
113.02338	4.7
118.99767	0.5
119.03380	1.9
123.00764	0.7
125.02345	0.8
161.04483	1.2
169.01329	0.8
190.05008	1.3
196.59454	0.6
227.16484	2.5
239.16437	1.1
265.18085	1.0
295.22824	0.9
307.22748	1.1
319.22775	1.5
325.23837	5.3
326.24005	0.7
337.23810	5.4
355.24933	16.9
356.25327	1.4
436.60611	0.7
499.29153	2.1
517.30212	100.0
518.30554	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	517.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	7.1
59.01252	53.4
68.99695	2.1
69.03342	2.4
71.01252	33.0
71.44998	2.8
72.99157	2.2
73.02818	8.5
75.00762	2.3
78.56841	1.6
80.65736	2.3
83.01271	5.8
83.04903	5.2
85.02822	13.6
87.00728	8.7
89.02316	18.2
95.01275	3.1
96.95914	2.9
97.06470	2.4
99.00754	4.3
101.02322	26.3
105.05457	4.5
107.01275	6.8
107.04935	5.3
111.00764	3.1
113.02345	14.6
119.03409	5.8
119.04846	1.9
120.05697	4.1
121.02913	2.7
123.00776	5.8
124.01447	1.8
125.02348	26.3
131.03395	4.8
133.02850	5.4
134.03659	8.0
135.04431	30.1
135.11751	1.9
139.00298	2.5
140.01015	2.4
145.02907	4.5
145.08575	1.7
146.07294	2.2
147.04439	2.5
149.04503	3.2
149.06020	9.5
151.00302	2.8
152.04688	1.8
157.06470	2.1
158.03619	9.3
159.03134	2.0
159.04440	8.2
161.02373	21.5
161.04468	10.2
161.09630	29.5
161.13271	16.4
162.02638	2.4
163.11244	3.3
168.00539	5.5
169.01335	34.5
170.01703	2.8
173.04509	2.5
175.03958	2.7
178.02654	4.2
179.03430	25.1
179.10730	6.2
187.11214	33.2
188.11740	2.7
189.09142	20.6
190.09573	2.0
191.05612	3.7
193.05020	5.6
193.98454	3.0
197.78806	1.9
202.02658	18.5
203.03366	2.0
203.10757	2.5
205.12273	13.1
207.10199	10.6
211.02364	4.2
217.01242	2.3
241.03525	2.4
249.11313	9.0
267.10931	17.8
273.00494	2.5
297.06210	2.5
300.99878	4.9
302.00320	2.2
307.08203	2.9
313.05533	8.4
323.07581	10.0
361.18918	2.4
373.14664	2.1
454.98376	2.6
473.10861	51.4
474.11053	11.4
500.02319	2.3
517.09985	17.7
517.22974	100.0
518.10321	4.0
518.23169	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	517.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26070	2.1
53.04469	1.8
55.01774	2.8
57.03319	9.0
58.00484	2.2
59.01253	88.3
61.98693	10.9
69.03316	4.6
69.30556	21.1
71.01257	62.4
72.99172	4.9
73.02831	12.3
75.00729	2.2
83.01266	7.8
83.04906	8.5
85.02822	23.6
87.00758	12.4
87.04404	3.6
89.01819	3.6
89.02331	43.7
95.01270	5.4
96.48727	1.7
97.02850	3.5
97.06530	3.0
99.00772	8.3
99.04379	2.1
101.02332	39.9
105.05445	3.9
107.01270	6.4
107.04878	10.0
111.00781	3.8
113.02338	23.8
119.03432	9.7
120.05720	6.2
123.00797	7.4
123.04369	2.2
125.02348	29.0
126.02687	2.4
131.03412	16.9
134.03587	2.1
135.04414	39.9
137.02356	4.1
139.00299	5.0
139.03986	2.1
143.03403	3.6
147.04448	2.1
148.05202	4.9
149.04506	11.8
151.00270	2.6
152.04720	2.0
157.06549	1.9
157.89679	1.9
160.01567	3.2
161.02342	3.3
161.04449	15.8
161.09627	26.5
161.13324	11.9
163.07553	3.5
163.11256	3.2
166.99785	3.9
168.00598	3.4
169.01346	27.5
175.03961	4.7
176.01187	3.6
177.01866	4.0
179.03418	23.7
179.10657	5.2
187.11211	29.5
188.11575	2.2
189.05585	2.6
189.09143	19.5
190.05116	2.4
191.05508	10.8
193.05000	2.7
201.02032	2.2
201.13405	2.2
203.03641	2.2
203.10800	2.7
205.12254	18.1
207.10258	7.2
210.69022	2.0
224.47227	1.9
245.01007	2.6
247.02580	4.0
249.11433	12.1
267.10944	16.2
293.08887	3.5
301.00015	8.1
302.00198	2.7
315.63202	2.1
325.12784	2.4
337.09378	5.9
340.09921	2.4
355.12112	3.1
355.24954	2.0
361.18759	3.1
373.15027	2.8
478.72128	2.0
517.23010	100.0
517.29523	6.0
518.23584	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	517.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.0
56.57903	0.9
57.03313	2.9
58.79609	0.9
59.01250	11.9
63.92133	0.8
68.99686	1.0
69.03335	3.4
70.28640	2.1
70.29037	1.5
71.01256	31.2
72.99183	35.9
73.02819	32.5
75.00739	2.8
78.95752	2.2
81.70937	0.8
83.01254	2.8
84.39549	0.7
85.02827	34.3
87.00760	7.2
87.05596	0.8
89.02316	3.1
89.18966	0.7
95.01261	7.9
96.96855	2.8
97.02840	1.0
98.19921	1.0
99.00763	10.5
100.01070	0.9
101.02321	17.2
103.03889	3.5
113.02332	69.0
115.00261	9.2
119.03369	1.5
129.01834	24.4
131.03395	47.4
132.03722	2.2
157.01343	20.7
158.90419	0.8
161.04465	1.7
161.06119	0.8
175.02399	100.0
176.02786	3.9
179.05534	2.7
193.03564	1.1
205.05040	1.1
249.04048	1.7
293.08713	3.2
337.01938	3.6
337.07745	3.4
338.01691	0.9
427.11270	0.9
457.12277	5.0
491.34238	0.9
496.90485	0.8
517.14099	25.5
518.14349	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88503	0.5
57.03323	0.8
58.00478	0.5
59.01254	19.3
64.36657	0.5
69.03327	1.9
71.01254	20.8
72.99226	0.5
73.02817	1.9
75.00763	0.5
81.03345	0.8
82.02482	0.5
83.01264	1.4
83.04903	0.5
85.02828	3.6
87.00762	1.9
89.02322	18.4
93.03336	0.5
95.01256	1.4
97.02847	2.0
98.19727	1.1
99.00756	1.4
101.02317	5.9
101.32183	0.5
107.01289	0.8
107.04929	1.9
111.00785	0.6
113.02334	4.1
117.03354	0.7
117.63655	0.4
119.03415	1.2
120.05664	0.7
123.00823	1.1
124.05232	0.5
125.02341	11.6
131.03397	4.9
132.02075	0.8
133.02881	0.6
134.03641	7.4
135.04419	100.0
136.04776	4.0
143.03355	0.8
145.02864	1.0
148.01465	0.5
148.05219	9.6
149.04471	4.8
149.05753	0.9
149.05949	1.2
160.01610	4.0
161.02351	1.4
161.04448	1.0
161.09608	1.5
161.13239	0.7
163.07527	3.2
165.01834	0.5
166.99811	1.4
169.01352	5.5
175.02397	0.4
175.03912	8.4
179.03424	86.0
180.03760	4.3
187.11256	1.8
189.09145	1.9
191.05515	2.8
193.05013	3.6
202.02725	0.7
203.10941	0.5
205.12340	1.2
229.01553	0.7
230.08453	0.8
233.06682	2.0
237.75174	0.5
248.03207	0.7
249.11440	0.8
264.94037	0.5
267.10614	0.9
271.04678	1.0
273.00455	0.8
275.01855	0.6
279.57205	0.7
293.08804	8.9
294.09100	0.8
297.09818	0.8
299.99057	0.9
300.99921	1.6
323.07745	0.6
337.09296	15.4
338.09668	1.3
341.08768	4.7
473.15381	5.4
517.12817	2.3
517.22827	7.5
518.23108	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43090	0.1
54.06009	0.1
55.01738	0.4
57.03305	0.2
58.00451	0.3
59.01248	5.1
67.06873	0.1
69.31851	0.3
69.32278	0.6
71.01252	4.0
72.99176	0.3
73.02814	1.0
75.00739	0.2
75.44146	0.1
81.03347	0.1
83.01267	0.6
85.02833	1.0
87.00738	0.6
89.02315	3.4
91.03865	0.1
95.01247	0.4
96.95860	0.1
97.02855	0.1
99.00716	0.3
101.02319	4.4
103.73895	0.1
113.02325	1.9
119.03386	0.9
125.02313	0.2
131.03377	0.2
133.04918	0.3
139.82713	0.1
139.96078	0.1
143.03378	0.3
146.93011	0.1
149.04488	0.1
161.04471	1.6
179.05498	0.6
235.08205	0.9
253.09248	14.0
254.09560	0.6
261.22122	0.3
261.93527	0.1
279.23267	100.0
280.23618	8.9
462.72406	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.9
57.03313	1.8
59.01252	15.1
60.29360	0.6
67.01781	1.4
68.23344	0.6
69.03322	1.2
69.57503	4.2
71.01253	12.6
72.99174	1.6
73.02826	2.9
75.00748	0.7
79.01758	1.2
81.03374	0.6
83.01260	1.8
83.04900	1.0
85.02828	4.3
87.00774	2.8
87.04400	0.9
89.02319	5.9
95.01257	1.9
95.70893	0.6
96.95885	1.2
97.02853	1.0
97.06441	1.0
99.00769	1.6
101.02336	8.9
105.01821	1.2
105.05426	0.7
107.01278	5.8
107.04908	1.7
109.02843	1.2
111.00788	3.4
113.02337	5.3
113.05934	0.6
117.03349	1.0
119.03386	1.4
119.04889	1.4
120.05695	1.2
121.06588	0.5
123.00790	8.1
124.01575	1.5
125.02345	34.5
126.02654	1.4
127.00279	1.3
129.03375	0.8
131.03384	1.7
133.02847	2.4
134.03635	2.0
135.04420	3.5
136.98691	2.1
137.02347	1.2
137.27119	0.6
139.00269	4.4
139.03796	0.7
140.01065	4.2
141.01810	1.7
143.03365	0.7
144.06599	0.7
145.02863	6.4
147.04425	4.2
149.04453	0.8
149.05991	0.7
151.00285	6.1
152.04643	0.6
156.44110	0.7
157.02840	0.7
157.06534	1.0
158.03647	19.3
159.04433	10.3
161.02332	7.2
161.04485	1.8
161.09627	5.9
161.13217	2.7
163.11186	1.0
165.01924	0.6
166.99734	1.0
168.00565	6.6
169.01341	49.7
170.01665	1.8
171.04425	1.2
173.02351	1.2
173.04550	0.8
175.03941	3.0
177.01837	0.6
177.06905	0.6
178.02605	0.8
179.03397	1.9
179.10693	2.5
185.05997	0.9
187.11212	8.7
189.09108	5.8
191.05484	1.1
193.04990	2.0
193.98505	7.4
194.99309	2.7
201.05527	2.1
202.02660	30.1
203.03175	3.6
205.12282	4.3
207.10182	2.8
211.02400	5.7
213.05478	2.3
227.03455	0.7
241.03477	3.2
249.11375	2.7
254.39278	0.6
267.10428	4.2
271.04602	4.8
281.04520	0.7
285.22366	0.6
297.06119	4.0
301.00046	1.3
301.05606	1.8
307.08221	2.3
311.13660	0.9
313.05624	11.3
314.05960	0.9
323.07730	3.7
325.13092	0.8
361.19043	0.8
365.08728	1.9
409.34140	0.6
473.10886	100.0
474.11230	13.0
499.08923	1.4
499.21909	0.7
500.09109	0.6
517.09747	39.4
517.22766	24.6
517.29877	1.1
518.09924	4.3
518.22992	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2136
Annotation	hesperadin
Peak:m/z	Relative Intensity
55.01773	0.8
57.03335	2.9
59.01254	32.8
60.75953	0.6
61.98687	1.9
65.00156	0.9
67.01743	1.2
69.03314	0.6
71.01258	20.6
72.99197	1.4
73.02831	3.2
73.58913	0.6
79.01746	0.7
83.01255	2.0
83.04922	0.7
85.02818	5.6
87.00743	2.6
89.02322	9.7
90.07710	0.6
95.01261	3.5
95.01742	0.6
96.95882	1.2
97.02811	1.1
98.19749	1.2
99.00735	0.9
99.04326	0.7
101.02325	12.0
103.03882	1.2
107.01267	5.0
107.04882	0.7
111.00747	2.5
113.02348	6.0
119.03368	2.7
121.04925	0.9
123.00776	15.3
124.01555	1.8
125.02351	20.1
127.00283	0.8
135.04428	1.6
136.98669	1.0
138.01817	1.6
138.92874	0.6
139.00282	3.9
140.01041	2.6
141.01833	2.6
141.12747	1.1
151.00282	8.0
151.45667	0.5
155.14282	1.1
161.02383	0.6
161.04462	1.6
161.09660	3.4
161.13240	2.7
163.11226	0.7
166.99811	1.1
168.00545	3.7
169.01346	20.7
170.01727	1.3
173.02454	0.7
175.03854	0.8
177.01807	0.7
177.05453	1.2
183.13847	4.1
187.11241	5.0
189.09102	2.7
201.14922	14.6
202.15239	1.3
205.12268	2.4
207.10101	1.2
211.02385	1.3
214.99796	1.1
223.13290	1.8
229.01382	0.7
249.11250	0.8
265.09195	4.6
265.11856	0.8
267.12317	1.4
283.10266	2.3
299.99042	1.8
300.99863	4.4
302.00159	1.1
317.57932	0.7
345.19272	2.3
363.20248	43.3
364.20557	4.3
381.92282	0.6
422.35217	0.9
497.20352	5.8
515.21222	100.0
516.21600	16.0
516.29211	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75994	0.5
59.01251	100.0
60.01582	0.9
61.98696	1.6
63.72636	0.5
69.03329	2.1
70.87101	1.0
70.97205	0.5
71.01255	6.5
71.04885	3.4
81.03345	0.5
85.02831	0.8
89.05967	0.8
101.02351	1.5
113.02355	1.4
117.03355	4.4
119.04919	4.1
121.02849	4.5
123.00776	1.1
125.02350	3.3
132.05826	0.6
133.06519	1.2
134.03693	0.9
145.02849	10.9
145.03926	0.8
151.00304	0.6
161.06017	2.6
163.03911	5.5
165.01814	0.7
169.01399	2.8
177.05525	0.7
177.09212	0.6
205.05023	3.8
221.08124	12.4
222.08728	0.8
235.06084	3.3
237.07774	1.5
265.07184	8.7
291.08783	1.1
300.99817	0.6
325.09375	0.7
328.77536	0.6
381.11880	5.4
382.12473	0.9
515.24561	6.1
515.31836	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70867	0.3
52.16979	0.3
55.63560	0.3
59.01250	100.0
60.01598	1.0
61.98710	0.5
71.01253	8.1
71.04901	0.5
71.49611	0.4
71.49929	0.5
73.02812	0.7
83.01243	0.5
85.02847	1.4
87.04423	0.5
89.02328	1.2
89.05968	0.9
95.01293	0.4
98.45731	0.3
99.73480	0.3
101.02349	1.1
110.67543	0.3
113.02338	1.4
121.02827	1.7
123.00768	0.8
125.02316	1.5
131.27463	0.4
134.03644	0.8
143.03442	0.3
151.00238	0.5
161.04512	0.4
165.01939	0.5
168.00673	0.4
169.01363	1.1
200.99962	0.3
221.08125	2.4
233.10310	0.7
237.07707	1.3
291.08789	0.4
327.25378	0.4
381.11917	7.9
381.16583	0.6
382.12344	0.7
404.40848	0.4
410.42032	0.4
515.24561	3.5
515.30408	0.5
516.25256	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.7
59.01253	100.0
60.01566	0.7
61.98706	4.5
69.03333	1.7
69.86355	1.1
69.86764	3.1
71.01250	8.8
71.04892	2.4
72.99198	1.1
73.02828	0.8
78.17892	0.6
79.95618	0.9
85.02827	3.4
87.04401	1.9
89.02330	1.9
89.05972	1.6
95.01273	1.1
96.95876	1.9
101.02337	3.0
105.68528	0.6
107.01275	0.8
107.04936	0.9
109.44961	0.7
113.02307	3.7
121.02820	4.5
123.00800	1.6
125.02365	2.9
161.04533	1.0
169.01353	2.7
171.10286	0.9
179.27229	0.7
221.08145	4.2
233.10278	3.5
237.07652	3.2
255.02959	0.8
259.94171	0.7
307.24130	0.7
361.03580	1.0
381.11874	12.3
382.12500	1.4
515.24243	6.5
515.31671	3.8
516.32178	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03767	1.1
59.01247	4.5
67.01759	1.2
71.01256	4.5
71.57383	2.0
85.02820	1.5
89.02338	1.4
93.03362	3.5
95.01242	2.3
95.23408	1.1
101.02340	2.5
108.02069	2.4
109.02839	4.1
111.00740	2.0
113.02336	1.5
121.02847	10.9
122.03661	8.6
122.61453	1.2
123.00803	5.0
123.04436	2.6
125.02363	5.9
132.02141	1.7
133.02858	5.2
134.03635	32.2
134.12918	1.0
135.04428	10.0
136.01564	35.8
136.90717	1.0
137.02406	7.4
139.00296	2.8
140.01045	3.2
145.02817	1.7
147.04427	2.2
149.02351	21.5
149.05989	16.9
150.03140	63.3
151.00314	2.0
151.03928	45.5
152.04640	2.1
153.05511	1.6
154.38297	1.2
157.39761	1.1
158.75800	1.2
161.02338	2.5
164.04707	3.9
165.01913	1.9
165.05498	62.9
166.05844	2.3
166.99792	2.6
167.07120	2.1
169.01399	8.8
173.04520	4.1
175.03882	1.8
177.01828	6.2
177.05560	1.1
180.04251	2.6
181.05025	1.9
184.00072	4.3
185.06035	2.1
191.05484	1.4
195.06563	30.8
211.02538	2.0
212.04768	1.2
213.05505	11.3
213.45442	1.3
223.03999	3.4
224.04691	2.9
225.05368	2.6
231.59227	1.3
240.04367	2.3
241.05032	53.5
242.05571	4.1
252.04292	2.5
253.05052	5.2
255.06587	4.2
256.07410	41.7
257.07715	3.2
269.04630	2.7
271.09744	100.0
272.10123	6.7
281.04507	2.6
284.06918	3.4
285.07666	20.8
297.07709	2.6
298.98053	1.4
299.09250	18.4
299.98672	1.4
300.09537	2.6
300.99887	4.9
319.11929	6.6
323.01956	1.4
341.06723	3.8
353.03119	7.2
354.03287	1.4
419.14978	1.7
467.17075	43.8
468.17386	6.8
478.46204	1.3
515.07849	8.3
515.17993	11.3
516.17963	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	515.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13074	5.0
53.00190	3.2
57.03313	4.1
57.24311	4.1
59.01251	53.7
65.00191	9.5
67.01765	9.1
69.03334	8.1
70.27872	3.4
71.01258	38.2
71.57801	7.3
73.02824	6.6
75.00740	3.9
75.06357	3.7
80.99702	5.4
83.01258	15.7
85.02831	18.1
87.00764	15.3
89.02335	15.1
92.99697	3.8
93.03335	3.2
95.01268	21.9
97.02821	6.3
99.00766	13.6
101.02327	18.8
107.01271	16.5
111.00775	40.9
113.02328	10.5
117.03308	3.9
119.03362	6.1
123.00774	52.7
124.01626	3.7
125.02341	83.6
126.02621	5.8
127.00278	8.1
133.02814	6.6
136.98700	7.3
139.00281	45.8
140.01047	7.5
141.01839	10.5
147.09366	3.4
151.00264	13.7
151.03961	5.6
153.01915	3.4
154.99796	6.0
161.02327	5.6
161.04463	6.5
161.09642	7.9
163.00246	5.1
166.98515	4.4
166.99745	29.2
168.00574	27.9
169.01349	100.0
170.01646	7.8
177.00287	3.7
177.01854	76.1
178.02187	5.6
179.10703	8.0
182.99214	7.8
187.00241	3.3
187.11235	3.6
190.99872	3.4
193.04918	3.7
203.10687	11.8
207.02902	3.1
211.02467	6.3
214.99786	6.7
223.13376	6.0
229.01242	4.7
245.00761	6.5
257.08096	4.2
261.00369	5.1
270.98743	3.5
271.04565	5.5
273.00275	5.1
274.01248	3.9
275.01953	9.6
299.99081	9.1
300.99930	39.0
302.00308	5.4
339.07031	4.9
369.15469	4.2
401.18100	48.1
455.15347	9.9
485.16751	9.8
487.18170	32.9
497.16644	83.7
498.17044	11.5
510.92255	3.6
515.16016	25.3
515.20691	22.2
515.29321	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	515.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	32.8
68.76033	1.9
70.77309	6.2
71.01259	23.3
71.04895	2.5
73.02818	27.5
77.52235	1.8
81.03334	3.2
83.04889	10.5
85.02830	9.0
88.37817	2.0
89.02309	30.1
93.03333	76.8
99.00771	9.6
99.04388	8.3
101.02333	13.4
111.04408	28.7
113.02333	10.8
119.03363	9.6
129.01837	4.8
137.02357	25.9
143.03387	8.0
155.03406	10.7
161.04460	2.2
171.33005	2.2
173.04471	100.0
179.05499	13.4
181.26500	2.1
201.78860	2.2
296.52551	2.0
300.99863	3.3
302.00034	2.4
303.00305	5.8
341.10855	60.1
342.11169	5.8
515.14050	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	515.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.5
58.69163	0.2
59.01249	4.9
61.98701	0.7
65.00175	0.3
68.59282	0.2
69.03318	0.4
71.01257	2.5
71.58372	0.3
72.99168	0.3
73.02824	0.4
74.30130	0.2
77.30531	0.2
79.89629	0.2
81.03331	0.5
81.18624	0.2
83.01261	0.3
83.04897	0.2
85.02818	0.7
87.00764	0.7
87.04356	0.2
89.02330	1.4
89.03833	2.1
92.88638	0.2
95.01250	0.7
95.04892	0.5
96.95915	0.3
97.02837	0.3
99.00749	0.5
99.04370	0.3
101.02333	1.3
104.02554	0.6
105.03349	3.9
107.01279	1.3
109.02839	0.4
109.06437	0.2
111.00771	0.8
113.02322	1.0
117.03342	0.3
119.03374	0.4
119.04916	0.2
121.10072	0.3
123.00783	2.3
124.01575	0.3
125.02334	5.8
126.02689	0.4
132.02106	0.3
133.01833	0.5
133.02852	9.6
134.03647	2.5
135.04364	0.3
139.00275	0.8
140.00986	0.7
143.03397	0.4
145.02834	0.4
148.01526	0.3
149.02419	1.3
149.03375	0.3
149.05988	0.5
151.00302	0.4
155.10785	0.3
160.01552	0.5
161.02405	0.5
161.04434	0.4
161.09642	0.9
161.13260	0.5
163.00258	0.3
165.01820	0.3
166.99748	1.1
168.00580	1.7
169.01335	8.6
169.02786	0.5
170.01668	0.6
173.02330	0.3
173.04520	0.3
175.04002	0.5
176.01088	1.1
177.01854	100.0
178.02196	4.6
179.03427	0.2
179.05550	0.3
179.10733	0.6
186.06839	0.3
187.11209	1.2
189.01852	0.6
189.09148	0.7
190.02545	0.3
191.03358	0.3
192.00363	0.3
193.04951	1.8
201.09007	0.4
203.10741	0.8
205.12256	0.6
207.02946	0.3
211.02377	0.2
214.99811	0.5
216.00368	0.4
217.01302	0.6
220.09654	0.2
223.13368	1.4
223.46133	0.2
229.01306	0.4
231.10063	0.3
233.04733	0.2
242.99254	0.2
245.00975	0.6
249.03986	0.3
249.11356	0.3
257.00916	0.5
258.98853	0.3
259.02521	0.2
259.99628	0.3
267.12375	1.5
270.98969	0.4
273.00436	0.4
274.01028	0.6
275.02017	1.5
276.02319	0.3
283.71628	0.2
298.98502	0.3
299.99060	1.2
300.99908	4.0
302.00226	0.8
312.60156	0.2
313.05719	0.3
339.07193	4.5
353.23264	0.6
355.08350	0.3
369.15482	1.2
397.06082	0.2
401.17947	0.2
429.17572	0.6
438.03036	0.3
514.19739	0.3
515.12079	6.4
515.21112	3.8
515.28369	0.6
516.12341	0.9
516.21204	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.4
57.03305	0.2
58.00445	0.3
59.01250	7.3
62.91768	0.1
69.03329	0.1
71.01251	5.3
71.14453	0.2
72.01585	0.1
72.99158	0.3
73.02815	1.0
83.01245	0.6
83.04871	0.2
85.02820	1.2
87.00752	0.6
89.02316	3.7
90.02631	0.1
91.03859	0.3
95.01243	0.3
97.02820	0.1
97.06470	0.1
99.00741	0.3
101.02319	4.5
103.03816	0.1
113.02327	2.3
113.05984	0.1
114.02638	0.1
115.03873	0.1
119.03391	1.0
125.02328	0.1
127.07541	0.2
131.03415	0.2
133.04938	0.4
143.03394	0.5
157.04971	0.2
161.04466	1.8
162.04817	0.1
179.05481	0.7
206.84059	0.1
233.22702	0.3
235.08134	1.1
253.09256	15.5
254.09663	0.9
259.20572	0.4
275.20166	0.4
277.21710	100.0
278.22049	10.8
360.25955	0.1
513.28613	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83899	0.1
55.01758	0.3
56.14500	0.1
56.20500	0.1
56.70323	0.1
57.03302	0.3
58.00458	0.3
59.01250	6.2
68.26311	0.1
69.03296	0.1
71.01250	4.7
71.57511	0.2
72.99161	0.4
73.02823	1.1
78.95773	0.5
79.14099	0.1
81.03310	0.1
83.01248	0.7
85.02824	1.2
87.00752	0.5
89.01753	0.2
89.02317	3.8
91.03838	0.1
94.95691	0.1
95.01254	0.4
96.95882	0.2
97.93961	0.1
99.00768	0.2
101.02321	4.7
102.02668	0.2
103.03914	0.2
104.10709	0.1
109.02730	0.1
113.02337	2.2
115.03845	0.2
119.03390	1.1
125.02373	0.2
127.07564	0.2
131.03375	0.2
133.04948	0.4
143.03415	0.6
152.99461	0.8
156.56212	0.1
161.04474	2.1
179.05540	0.5
197.11786	0.1
205.19328	0.2
208.82314	0.1
233.22789	0.4
235.08171	0.9
253.09253	14.7
254.09521	0.7
259.20645	0.6
275.20087	0.4
277.21707	100.0
278.22049	10.0
376.53726	0.2
431.22012	0.2
469.29590	0.3
513.28760	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	2.2
59.01253	63.3
67.01752	3.5
69.24476	24.2
71.01269	11.9
75.00733	3.1
83.04948	2.3
85.02826	5.5
89.02322	5.3
91.05408	11.7
93.03318	5.0
95.01274	9.2
96.95891	3.7
98.20556	4.6
99.00783	3.1
101.02348	7.0
106.42463	2.4
107.01245	6.9
107.04892	9.2
109.06475	100.0
110.06799	3.1
111.00749	6.0
111.08073	2.7
113.02306	6.4
119.03392	4.4
119.04899	3.4
121.06431	3.5
123.00754	22.1
124.53198	2.1
125.02328	31.8
135.04396	17.3
137.02420	2.3
139.00269	8.8
139.07561	3.7
140.01039	3.3
147.04382	3.8
151.00267	5.0
153.05449	3.2
155.07065	30.9
161.02347	3.2
161.06009	4.6
163.03966	2.5
165.05522	5.2
166.99751	7.0
167.07066	2.5
168.00560	8.9
169.01361	37.4
179.03412	16.2
179.06938	2.9
180.03931	2.3
189.02002	3.5
197.08098	5.2
199.13200	2.8
210.22440	2.1
211.02454	3.7
214.99796	4.1
245.00916	2.7
249.30124	2.3
255.02737	2.2
258.98795	2.6
270.98807	3.8
271.04553	6.6
273.00449	2.8
275.01993	3.1
283.02338	2.5
296.03287	2.3
299.99112	4.0
300.99960	13.6
322.01096	4.4
323.01843	3.0
335.01935	3.1
339.08801	7.1
351.21616	3.3
355.08392	4.9
361.18750	4.7
367.08035	7.3
383.07648	4.1
387.10730	4.0
437.08710	5.0
443.09854	35.0
444.10040	3.9
513.10394	8.9
513.19635	52.6
513.26544	4.0
514.10547	3.7
514.19989	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	513.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	3.7
57.02487	3.8
57.02757	6.5
57.03333	10.1
59.01249	100.0
68.99679	1.8
70.55235	7.2
71.01257	40.7
71.47812	1.8
72.99200	4.3
73.02831	2.5
79.05441	2.5
83.01265	4.7
83.04916	7.4
85.02825	13.8
86.41946	2.0
87.00752	24.2
89.02325	27.8
94.63142	2.1
95.01287	8.0
95.04905	3.6
97.06489	3.1
99.00809	2.1
101.02315	16.9
107.01291	5.7
107.04903	11.8
111.00789	4.8
113.02356	13.4
114.02669	1.9
119.03397	12.7
119.14754	2.1
120.05729	9.1
123.00780	11.7
123.04465	3.0
125.02339	18.7
127.00345	3.0
132.35451	2.2
133.10139	2.5
135.04427	4.9
135.11757	2.8
139.00287	7.8
143.03462	2.7
150.05779	2.1
150.06725	10.9
152.04736	2.3
157.06500	2.8
161.04500	4.2
161.09634	39.8
161.10883	3.3
161.13268	21.5
162.10023	2.7
163.00334	2.3
163.11176	2.9
166.99806	4.9
168.00575	4.3
169.01364	22.4
171.10316	2.8
179.05655	6.3
179.10704	15.4
187.00311	2.3
187.11200	69.5
187.12796	4.0
188.11665	6.8
189.09157	36.8
203.10773	4.3
205.12274	27.5
206.99315	2.3
207.10255	6.7
210.21944	2.4
211.02428	4.2
229.01410	2.2
231.10257	2.5
249.11307	13.3
261.00317	3.0
263.11438	2.5
267.12326	21.9
275.02084	4.2
281.04904	2.4
281.11331	2.6
299.99200	4.5
301.00107	6.3
310.88065	2.2
318.00143	2.5
326.04398	5.1
331.63147	2.6
339.05026	2.8
350.21423	2.8
351.21957	9.6
354.04007	7.1
361.18881	6.8
369.15686	2.7
382.03293	3.2
413.12436	12.5
414.12997	3.1
437.08954	4.9
441.12106	8.0
442.12543	2.6
452.38535	2.4
469.11832	7.6
513.10651	10.9
513.23608	96.2
514.12299	2.9
514.24121	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	513.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34138	0.3
53.15115	0.3
53.64315	0.3
54.44750	0.3
55.01765	0.7
57.03326	1.4
58.00470	0.4
59.01253	13.0
60.13375	0.3
61.98706	0.4
65.00189	0.4
67.01759	1.0
69.03327	0.9
71.01258	9.9
71.01659	0.5
72.99176	1.0
73.02834	3.2
79.01762	1.6
81.03352	0.5
83.01259	2.3
85.02824	4.6
85.03292	0.4
85.99963	0.4
87.00767	0.7
89.02319	3.9
89.02831	0.4
89.58620	0.3
92.43221	0.3
95.01276	3.8
97.02842	0.9
99.00719	1.6
99.04445	0.3
101.02322	9.0
107.01273	3.7
108.46974	0.3
111.00783	2.2
111.01432	0.4
113.02337	3.8
119.03394	1.6
123.00772	17.4
124.01549	1.1
125.02338	16.1
126.02769	0.3
127.00285	0.6
135.04407	0.5
136.98738	1.1
139.00267	4.0
140.01100	2.5
141.01845	2.2
141.72485	0.3
143.03380	0.4
150.99129	0.6
151.00285	8.0
151.01501	0.6
152.00616	0.4
153.01784	0.5
153.12764	0.3
154.99841	0.3
161.02415	0.8
161.04486	0.7
166.99779	0.5
168.00539	2.6
169.01340	15.5
170.01663	0.9
177.01790	0.6
179.03397	0.4
181.12265	3.1
187.00278	0.4
199.13367	5.9
200.13623	0.4
211.02431	0.6
214.99739	0.5
245.00822	0.4
267.12302	0.3
271.04639	0.6
271.67966	0.3
298.64905	0.3
300.99893	1.1
313.05844	0.5
343.17575	1.8
361.18683	43.6
362.19037	4.4
495.18860	3.4
496.19031	0.6
513.19769	100.0
514.20184	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	513.198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72108	0.9
55.01739	0.9
56.11333	0.8
57.09982	0.9
59.01254	19.3
59.26522	0.8
67.01768	1.6
69.03339	1.7
69.21912	0.8
69.31838	4.6
69.32268	4.6
71.00883	1.6
71.01253	15.3
72.99174	1.7
73.02816	3.2
79.01768	1.8
83.01256	3.7
85.02822	6.2
87.00756	2.4
89.02337	6.0
95.01255	5.2
96.51327	0.9
97.02826	1.3
99.00771	1.0
101.02316	11.8
107.01266	4.9
107.76251	0.9
111.00768	4.8
113.02338	5.2
119.03386	1.4
123.00775	21.6
124.01586	1.4
125.02348	26.5
136.98671	2.0
139.00308	5.9
140.01085	3.8
141.01889	1.8
151.00266	8.7
152.23727	0.8
163.00255	1.3
166.99780	3.5
168.00555	4.9
169.01340	23.3
177.01794	2.9
181.12239	4.9
187.00237	1.2
196.03029	1.1
199.11627	1.0
199.13295	4.9
206.99284	1.0
214.99825	2.8
229.01398	1.3
239.03517	1.5
251.03667	0.9
252.04152	1.1
253.04836	1.0
267.02954	1.4
267.08698	1.6
270.98984	1.0
273.00470	1.7
275.02048	2.2
281.04504	1.1
299.99063	2.3
300.99863	4.2
308.03275	1.0
311.05493	1.5
318.00079	2.9
325.03671	1.0
326.04318	3.7
339.05026	1.5
340.79947	1.1
353.02789	2.3
354.03629	4.3
354.10858	1.3
355.04337	1.3
361.18683	61.3
362.18985	4.6
382.03250	1.9
385.23428	1.2
395.11383	1.6
409.09552	1.5
413.12469	12.3
414.12741	1.7
437.08569	1.6
441.12033	5.0
469.11502	3.2
495.18808	2.8
513.10889	4.6
513.19788	100.0
514.20197	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	513.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63708	0.8
53.25929	0.8
57.03307	1.6
59.01242	7.9
67.01751	1.1
68.99693	5.5
69.03322	1.1
70.91040	2.5
71.01263	7.0
72.99160	0.8
73.02800	2.7
75.00746	1.9
78.95752	3.7
83.01270	3.6
85.02824	10.0
87.00755	4.4
89.02309	2.2
93.03355	0.8
95.01254	3.5
96.95904	8.9
96.96824	7.4
97.02798	1.2
98.02335	4.3
98.95567	0.7
99.00763	7.5
101.02321	5.2
107.01262	0.8
109.02807	1.1
111.00768	3.8
111.01398	0.7
113.02332	10.5
113.99477	25.0
115.00260	11.0
117.03343	1.9
123.00780	1.6
125.02316	4.8
127.00256	5.5
129.01866	3.7
133.02853	0.9
134.02649	1.5
134.03627	22.0
135.04100	1.2
137.02316	1.0
139.00267	1.8
141.01796	1.2
149.05963	2.3
151.00229	1.0
151.03918	0.9
153.01845	1.4
157.01355	6.1
160.01521	1.6
161.02296	1.5
161.04414	0.9
163.06090	1.1
166.99686	1.1
169.01352	8.0
174.00215	1.2
174.01628	19.9
175.02293	3.3
175.03860	1.7
177.07382	0.9
178.02615	0.9
193.04979	14.9
205.19855	0.9
277.05640	45.7
278.05872	2.9
286.90616	0.8
295.34601	0.9
300.99844	2.5
307.17587	2.4
337.07751	100.0
338.08047	6.3
453.10306	4.9
453.23453	4.8
513.12415	87.7
514.12854	11.7
522.18665	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	75.2
62.54857	3.5
69.09377	2.9
69.69028	21.0
71.01258	10.1
73.60898	3.5
81.03325	5.6
83.01277	4.2
83.04888	15.0
84.10971	2.8
85.02850	4.0
87.00776	3.1
95.01275	5.7
97.02863	3.4
99.00780	6.0
101.02323	3.5
107.01295	10.6
109.02853	9.6
111.00755	11.4
113.02342	6.8
121.02808	3.3
123.00787	12.4
124.01553	5.2
125.02361	20.7
133.02837	4.6
135.04466	3.4
137.02361	4.6
139.00256	10.4
139.03958	3.6
141.01843	6.2
147.04399	5.2
148.01530	3.7
149.02351	8.9
150.03111	17.3
151.00311	18.0
152.01096	5.4
153.01840	6.6
153.11177	2.9
155.07086	6.7
161.02394	7.2
163.00278	6.6
163.04002	3.0
165.01814	3.3
165.05498	17.8
166.99812	7.3
168.00586	4.5
169.01312	17.8
175.03958	7.3
178.99759	17.2
187.03857	4.8
189.01924	4.5
191.03207	3.9
192.00603	4.9
193.01367	6.3
194.99268	4.8
195.06746	3.1
197.00787	6.2
203.03421	7.9
205.01279	7.7
206.99289	6.9
208.00096	6.2
215.03452	5.6
219.02843	4.2
222.98697	6.0
225.16032	6.4
226.16280	4.3
231.03041	5.9
232.03700	6.6
233.00835	3.8
233.04538	9.7
243.02989	9.3
245.01048	3.4
247.02301	3.8
259.02490	3.7
261.04141	8.5
271.02478	15.9
287.01929	9.1
288.02823	10.5
289.03366	9.2
300.99673	3.2
315.01511	9.3
316.01978	4.4
332.01645	4.8
333.02527	7.5
334.03638	4.3
355.06494	3.6
361.08151	3.2
371.06262	6.5
377.06955	8.2
387.05676	3.0
434.32092	4.0
440.06244	3.2
451.32922	13.2
452.33221	100.0
453.33530	21.8
479.08319	10.5
495.07797	7.0
513.08868	9.5
513.20319	5.0
513.26801	4.6
514.09418	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	513.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70469	0.2
59.01252	2.5
63.33057	0.2
66.29844	0.2
69.28088	0.2
71.01258	2.0
71.14233	0.5
72.99158	0.2
73.02837	0.3
76.88473	0.2
85.02816	1.1
87.00765	0.2
89.02325	0.5
95.01282	0.3
101.02306	0.6
113.02312	1.3
123.00793	0.2
123.55561	0.2
129.03386	0.4
130.56894	0.2
131.03357	0.3
133.02846	0.3
142.63628	0.2
145.02861	1.0
147.04382	0.4
157.02837	0.6
161.02383	0.3
162.23943	0.2
163.03879	0.5
164.98656	0.2
173.02344	1.6
175.03984	0.3
185.02379	2.5
189.01877	0.4
191.03450	0.7
201.01892	2.3
203.03491	1.2
205.01375	0.4
213.01891	0.2
214.99776	0.2
216.00612	0.4
217.01242	0.8
219.02885	0.5
226.99940	0.5
228.00606	0.4
229.01390	4.9
230.01653	0.4
231.02962	0.7
233.00931	0.4
245.00961	1.7
247.02425	0.5
249.03859	0.5
257.00900	3.6
258.01483	0.7
274.01123	0.3
275.01978	7.9
276.02316	0.7
283.99634	2.5
286.98370	0.3
299.99091	2.7
300.99881	100.0
302.00238	7.4
314.79767	0.3
332.14282	0.2
379.19955	0.2
453.12546	0.4
481.06165	2.9
513.08289	1.3
513.15027	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	2.1
59.01492	0.4
59.35832	0.4
61.98715	0.6
62.87579	0.4
65.00226	0.5
68.99695	0.4
71.01248	1.5
71.58044	0.7
72.56680	0.3
82.75536	0.4
85.02821	0.5
89.02280	0.5
95.01271	0.9
99.00777	0.9
100.59373	0.4
101.02312	1.5
107.01247	0.7
109.02846	0.4
111.00761	1.0
111.07993	0.4
113.02312	0.9
117.03344	0.5
119.03382	0.7
121.02798	0.3
123.00773	2.8
125.02364	2.1
136.81854	0.5
136.98653	0.5
139.00278	0.9
141.01878	0.4
149.02338	0.9
150.03151	2.3
151.00215	0.7
155.07053	1.5
157.10620	0.4
161.04445	0.5
163.00294	0.3
164.04706	0.6
165.05505	4.2
166.99800	1.5
168.00558	0.7
169.01361	3.2
176.00934	0.5
178.99724	0.4
182.02161	2.5
183.02859	0.9
195.06587	1.6
209.02367	0.9
211.02319	0.5
214.99821	0.5
221.02347	0.9
224.04697	0.4
236.01068	0.4
237.01830	1.2
239.03421	0.4
248.01118	0.9
249.01886	1.2
251.03561	0.4
253.01337	0.8
254.02148	0.5
255.02930	0.9
264.00616	1.4
265.01395	1.9
266.02048	0.9
273.00531	0.5
276.00549	0.8
277.01508	0.8
279.02914	0.6
281.00876	1.4
281.03940	0.6
282.01633	0.7
283.02469	1.2
292.00040	2.3
293.00952	2.4
294.01663	0.8
295.02301	0.9
296.03204	0.4
297.03903	0.4
298.01178	0.4
300.99857	1.0
302.99283	0.4
305.00870	1.2
307.02753	0.8
309.00403	3.0
309.03894	0.7
310.00903	1.1
311.01926	0.9
312.02560	0.4
319.99637	3.7
321.00403	5.2
322.00992	2.0
323.99155	1.2
325.00009	2.0
325.03342	0.7
326.04288	0.8
327.01303	0.6
327.10815	1.1
331.99313	0.4
333.00299	0.9
333.13434	0.7
335.01959	1.5
336.02692	1.6
336.99878	3.5
338.00775	1.8
339.01266	0.9
340.02307	0.4
346.98355	1.1
347.99091	1.7
348.99875	4.4
350.00534	2.1
351.01471	1.2
352.02283	1.1
352.99283	4.2
353.02957	0.9
353.99808	0.6
354.03629	0.9
355.00879	4.6
358.98312	0.8
360.99847	0.5
362.19406	0.4
363.01672	0.7
364.02246	1.1
364.99380	7.1
365.03439	0.7
365.99927	2.2
366.09045	0.4
367.00922	0.5
370.03439	0.7
374.97742	1.6
375.98575	9.7
376.99304	4.8
378.00150	1.6
380.01773	1.2
392.98615	1.9
393.99591	1.0
395.00235	1.0
397.01785	0.8
398.02972	0.6
402.97507	1.3
403.98016	4.8
404.98892	3.8
407.00247	0.7
408.01190	5.6
409.01669	2.4
420.98340	8.7
421.98737	1.4
425.01398	1.6
430.96915	1.5
431.97327	1.1
432.98590	1.0
434.99924	1.1
436.00693	17.4
437.01328	5.9
438.02069	0.5
453.00967	5.9
454.01657	4.9
455.01846	0.6
462.99570	2.1
463.08829	0.8
464.00208	1.0
469.04175	0.5
481.00385	3.5
482.01010	0.6
485.03714	1.2
495.02081	0.6
513.03101	100.0
514.03412	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	511.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	3.3
57.03313	3.4
58.00471	1.3
59.01251	64.8
61.98701	4.2
71.01254	27.7
72.99165	1.9
73.02822	11.2
75.95424	0.9
83.01257	8.5
85.02833	17.0
87.00761	2.1
89.02320	2.4
96.95879	1.4
98.19656	1.9
99.00742	4.7
101.02325	32.6
102.02670	0.9
111.00776	1.7
113.02338	11.0
116.80229	0.8
121.03802	0.8
122.36046	1.1
123.00723	1.3
123.04365	1.1
125.02332	3.6
131.03395	39.5
143.03435	1.7
157.25439	0.9
159.02901	1.9
161.04451	10.4
169.01314	1.4
180.50182	1.0
200.52318	1.0
209.11780	2.3
227.12808	1.8
229.23935	1.0
319.21246	100.0
320.21588	7.4
346.92850	1.1
349.38470	1.3
451.25433	11.4
467.13297	1.3
481.27106	1.3
489.65924	1.1
511.28754	22.2
512.29144	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31777	0.2
53.59221	0.2
59.01240	1.8
61.98704	1.5
65.00188	0.5
68.99677	0.3
69.03314	0.6
70.44847	0.8
71.01252	1.3
72.99163	0.6
73.02814	0.3
75.32655	0.2
78.95772	0.2
81.03312	0.3
82.76447	0.2
83.01270	0.8
85.02826	0.6
89.02343	0.3
95.01262	1.1
96.95912	0.3
97.02814	0.6
99.00739	0.4
101.02314	1.0
107.01259	0.4
108.02030	1.2
109.02859	0.3
109.06443	0.2
109.99978	0.8
111.00763	4.2
113.02341	0.6
121.06464	0.8
123.00772	2.5
123.04421	1.1
124.01555	1.8
125.02343	5.5
127.00255	1.6
131.03400	0.3
136.98711	2.5
137.09648	0.4
139.00278	4.2
140.01048	6.7
146.60266	0.2
151.00270	1.9
151.03909	0.5
152.01054	0.7
153.01823	0.6
153.05502	1.3
155.10678	0.3
161.04503	0.4
162.89835	0.2
168.00551	5.7
169.01347	5.3
181.01350	0.7
187.36221	0.2
209.11604	0.5
237.07542	0.3
251.09229	0.6
279.12375	0.7
309.13422	1.2
319.21198	0.5
379.21255	0.2
389.21854	0.3
469.11523	0.3
493.28006	0.6
509.27536	0.6
511.29095	100.0
512.29419	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	511.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.7
61.98687	1.9
62.56066	0.6
71.01248	1.2
71.34386	0.8
80.02563	1.5
81.03334	2.2
83.04899	7.0
84.02041	1.5
93.03320	1.3
95.04896	1.5
96.95898	0.8
97.06435	1.0
103.88391	0.6
109.06474	1.1
111.04401	0.6
116.27409	0.6
123.08026	1.1
125.05984	1.1
125.09606	4.4
135.08009	1.5
147.11731	0.6
149.09579	1.7
163.11215	4.9
165.12747	1.6
171.10175	38.5
172.10510	1.8
177.12708	0.9
181.12242	1.0
185.11758	2.4
191.10680	1.6
203.14313	1.3
207.10152	1.1
209.11768	100.0
210.12115	6.9
214.82137	0.6
221.11758	1.9
223.13304	2.2
227.12843	8.3
227.14894	1.2
228.13211	1.0
229.12335	0.8
231.13863	1.4
247.13370	12.3
248.13725	1.4
265.14407	3.8
321.16898	0.8
331.22754	1.2
332.86649	0.7
375.21631	1.7
375.25534	1.6
383.22330	0.9
393.22577	0.8
401.23352	2.2
419.24335	2.2
437.24881	0.8
449.25369	2.5
475.26807	3.8
478.81424	0.8
478.96091	0.7
493.27972	2.3
511.29150	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	511.2552
Annotation	Curcumanggoside
Peak:m/z	Relative Intensity
58.00453	1.5
59.01255	34.1
61.98674	2.7
63.33551	0.5
69.65478	0.5
70.71119	0.7
71.01257	21.7
71.44489	1.3
72.99152	1.8
75.00728	0.7
78.21436	0.6
83.01248	1.1
85.02819	4.4
87.00732	1.5
89.02320	23.9
95.01231	2.0
97.98734	0.6
101.02328	12.8
110.26330	0.5
113.02343	9.5
119.03391	12.0
123.00746	1.5
124.01534	0.7
125.02314	2.4
131.03357	1.6
138.01891	3.3
143.03351	2.5
149.04420	1.2
151.00256	0.7
157.12247	1.4
161.02361	0.8
161.04468	3.9
169.01335	3.6
173.03702	0.5
179.05553	10.3
180.05885	0.7
194.11569	0.6
201.12643	0.7
249.99478	0.6
260.83362	0.5
269.19135	2.8
287.20187	2.4
305.21173	5.5
305.82010	0.7
331.19174	17.8
332.19519	1.8
349.20203	100.0
350.20544	10.9
350.24722	0.8
363.21579	1.0
391.21204	7.3
392.21542	1.0
437.86212	0.6
511.25549	63.5
512.26050	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	511.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	5.6
57.03316	4.9
59.01251	76.1
61.98706	13.6
64.83878	1.4
71.01253	48.2
71.58048	2.0
72.99181	3.5
73.02818	24.0
75.00756	2.0
83.00797	2.0
83.01261	16.7
85.02820	26.3
87.00748	4.2
89.02319	7.8
94.90313	1.6
95.01262	5.6
98.05717	1.4
99.00783	7.9
101.02324	56.0
103.03895	3.1
111.00774	4.4
113.02327	20.4
119.03403	2.2
123.00778	3.0
125.02384	7.6
129.01797	1.6
131.03401	2.7
136.98643	1.9
139.00279	3.7
140.01041	3.4
143.03369	2.6
145.04935	1.7
158.36531	1.5
159.02863	4.6
161.04445	15.2
163.06033	2.3
168.00502	4.8
169.01346	5.2
171.10149	4.6
176.77817	1.6
180.05667	1.7
209.11789	13.8
305.19678	100.0
306.19983	6.8
318.48471	1.5
319.21204	6.1
407.04285	1.7
451.25464	96.9
452.25748	13.3
511.15646	4.2
511.22897	1.9
511.29193	23.2
512.29303	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	511.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51448	1.5
55.01760	5.9
57.03318	3.7
59.01251	81.8
59.37868	1.4
60.61885	1.5
61.09244	1.5
61.98706	9.1
71.01254	47.6
72.99184	3.3
73.02824	19.1
75.00734	1.7
83.01257	19.3
85.02824	26.3
87.00752	2.6
89.02319	5.6
95.01247	3.2
97.02830	2.1
99.00757	8.3
101.02324	56.6
103.03867	2.8
111.00749	2.8
113.02327	17.6
119.03363	3.7
123.00716	2.2
125.02342	4.9
136.98763	1.5
137.23566	1.7
143.03358	3.8
159.02919	4.5
161.04454	16.8
163.06035	2.2
169.01329	4.2
171.10133	2.2
209.11777	9.2
222.33824	1.6
264.69125	1.5
298.44748	1.7
305.19690	96.9
306.20081	6.6
319.21219	5.8
349.23676	2.0
451.25464	100.0
452.25677	10.6
511.22644	3.2
511.29059	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	510.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	4.2
61.98704	100.0
65.87626	0.5
69.48334	1.6
69.48763	3.1
71.01246	2.7
73.02843	0.6
83.01284	0.7
85.02860	0.9
89.02337	2.0
101.02357	1.8
102.11437	0.6
107.01311	1.4
113.02341	0.9
123.00782	2.0
125.02314	3.0
139.00246	0.8
147.04538	0.6
151.00273	1.0
153.58055	0.5
155.07072	0.9
157.12288	1.4
161.02219	0.5
168.00536	0.8
169.01378	3.8
177.01743	0.5
183.02985	0.6
209.11864	1.3
242.09500	0.5
245.00945	0.5
283.53314	0.5
354.13016	0.6
388.96356	0.6
409.25339	0.6
510.13589	0.9
511.22607	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	511.1247
Annotation	Gemixanthone A
Peak:m/z	Relative Intensity
50.03331	0.6
55.14082	0.6
57.03311	0.7
59.01257	10.6
61.98692	1.8
66.61198	0.6
67.01780	0.8
69.03317	0.7
71.01257	7.1
71.57825	0.6
72.99200	0.8
73.02817	2.7
83.01273	1.3
85.02834	3.3
87.00740	0.7
87.04391	19.3
88.04721	3.3
89.02314	2.8
95.01255	2.0
99.00761	1.5
101.02328	5.5
102.02689	0.7
110.99574	0.6
113.02326	2.8
114.02730	0.7
117.03319	0.9
117.19567	0.6
123.00771	2.4
125.02318	4.7
139.00325	0.7
140.01070	0.9
141.01833	0.6
145.02820	2.2
152.03455	1.7
157.12244	0.7
161.02324	1.8
161.04460	2.4
161.05829	1.1
163.03900	1.1
169.01340	3.1
191.05472	1.0
205.05057	1.0
209.11792	2.5
217.06555	9.0
220.05324	0.6
224.60704	0.6
233.06274	0.6
252.03947	0.7
254.02234	0.7
264.04242	2.0
277.05157	1.0
278.05627	0.7
279.03052	0.6
279.06552	0.8
281.04517	0.6
292.03720	1.2
293.00952	1.8
293.04272	0.9
293.09061	0.7
305.04529	1.1
305.19730	6.3
306.01645	1.1
307.02484	1.5
308.02969	0.9
309.04227	0.6
319.02512	1.0
320.03122	2.1
321.00336	1.3
321.03998	1.8
322.01328	1.5
322.04721	1.0
323.05496	1.2
335.02039	2.8
335.05640	1.4
335.09436	0.9
336.02768	1.6
337.03430	1.8
350.00693	2.0
351.05173	2.1
363.01352	2.2
363.08780	1.0
364.02310	1.2
365.03064	2.8
365.10410	0.8
377.10278	1.5
379.04602	4.4
380.01718	1.6
381.02509	29.9
382.02768	3.9
393.02390	1.4
393.09964	1.5
395.11493	1.0
409.02060	12.7
409.08966	3.8
410.02283	1.0
421.09503	1.5
423.03363	0.9
423.10852	1.4
424.04465	2.0
437.08878	4.7
438.09421	0.9
439.10245	1.1
451.10812	1.4
451.25473	8.8
452.11203	1.5
453.07770	1.2
467.08908	5.4
479.09976	0.9
481.15048	3.8
483.13098	3.4
493.15176	1.1
511.12448	100.0
512.12750	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	509.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.6
55.89187	0.3
57.03321	3.9
58.00468	0.8
59.01251	13.9
60.38948	0.3
60.99169	1.2
61.98702	2.1
65.03826	0.6
69.03342	1.5
71.01253	27.5
71.57613	0.5
72.01600	0.5
72.99170	1.1
73.02821	8.0
75.00737	0.5
81.03325	1.5
81.06964	0.5
83.01260	4.2
83.04891	3.1
85.02824	10.4
87.00758	1.0
89.02315	6.1
93.03328	0.7
93.06977	3.7
95.01266	1.4
95.04927	0.3
97.02836	1.2
99.00764	3.6
101.02322	21.8
107.04914	0.7
109.02795	0.4
109.06476	4.9
111.00731	0.7
111.08047	8.6
113.02328	13.8
113.05924	0.5
113.45451	0.3
119.03406	2.1
119.04913	0.7
125.02314	1.1
125.05980	4.0
129.01810	0.7
131.03383	0.6
137.05980	4.5
143.03404	1.4
149.02434	0.3
155.07043	100.0
156.07388	4.3
159.02869	3.3
161.04465	20.7
162.04758	0.7
179.05518	0.8
205.03477	1.1
207.10173	0.3
209.11928	0.6
209.15427	3.7
221.00708	0.5
326.23410	0.3
343.33615	0.4
359.10553	0.3
371.20724	32.1
372.21051	2.9
449.30960	0.5
491.27899	0.4
508.34875	0.4
509.12384	0.5
509.20419	0.3
509.27319	1.6
509.36185	0.4
510.28049	0.5
536.55615	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78282	0.5
59.01274	1.8
66.85745	0.5
78.95777	19.2
79.11426	0.6
82.37138	0.6
96.95930	1.2
96.96893	1.6
152.99495	30.1
153.99803	0.8
171.00606	1.9
227.03174	6.0
245.04341	1.2
281.24857	100.0
282.25241	11.1
284.70828	0.7
338.30573	0.6
350.47330	0.6
417.24359	0.9
509.28702	45.9
510.29147	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	509.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43191	0.7
55.01752	1.4
57.03314	1.4
58.00467	1.5
58.51057	0.8
58.86238	0.8
59.01252	69.7
59.55452	0.9
61.71931	0.8
61.98702	7.3
69.03321	1.5
69.28979	2.2
69.29385	7.5
71.01256	31.1
72.99181	5.2
73.02821	20.2
73.03232	1.2
75.00765	1.6
78.95784	1.0
80.98561	0.9
83.01256	2.8
85.02829	13.4
86.00002	1.2
87.00752	4.9
87.04392	100.0
88.04700	1.7
89.02323	20.0
94.93038	0.9
95.04897	1.1
97.02844	1.1
99.00769	2.9
101.02326	37.2
102.02666	1.2
103.03888	9.9
103.14848	0.9
107.01304	1.3
108.02010	0.9
111.00697	1.0
113.02348	6.5
115.03883	2.7
119.03383	8.4
125.02354	5.4
127.03941	1.2
131.03400	12.8
137.02359	1.5
137.09595	1.0
143.03383	9.6
145.05014	5.0
151.00281	0.9
161.02309	1.1
161.04506	5.7
163.06039	37.3
164.06355	1.6
169.01352	3.0
177.01840	1.7
179.05556	1.7
183.02965	0.9
205.07124	15.2
209.00717	1.1
235.02460	1.6
246.98680	1.2
265.09235	1.5
276.11057	0.8
297.53070	0.7
299.99054	1.2
317.19577	6.2
318.19730	0.9
318.42139	0.8
347.18304	0.9
377.21759	3.2
377.25928	1.4
389.73438	0.8
403.08694	0.9
449.24072	10.3
450.24234	1.1
509.12878	1.9
509.25720	1.6
509.35757	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	509.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	15.2
68.18169	2.3
68.30435	2.4
71.01241	7.0
71.56384	5.3
81.03354	4.5
83.04894	13.4
87.04372	4.0
93.03368	3.5
96.95883	2.7
97.02828	7.7
101.64943	2.2
109.06471	16.2
111.04403	16.8
111.08038	2.8
125.09615	10.4
135.08060	3.3
163.11121	16.1
167.07578	2.6
171.10201	30.7
174.72470	2.6
181.12195	3.4
185.11752	11.1
207.10216	48.7
208.48700	2.9
209.11781	100.0
210.12093	7.1
223.13411	5.4
225.11296	22.6
227.12833	12.3
231.10054	3.8
235.13382	3.8
237.11501	3.0
245.11769	4.5
247.13301	4.7
249.11151	3.4
263.12845	10.9
281.13995	7.0
294.21475	3.6
299.14874	8.1
305.14136	4.6
319.15424	3.7
337.16751	5.7
373.23761	4.1
399.21848	4.6
465.25079	5.2
473.25476	16.5
491.26459	19.8
492.26770	4.1
509.27313	65.7
509.34378	6.2
510.27881	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	509.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00190	7.4
55.01725	1.5
57.03307	2.4
59.01255	7.8
61.98681	1.7
67.01758	1.5
69.28226	10.2
69.28630	1.7
71.01245	8.7
73.02797	2.1
80.99693	9.5
83.01261	46.6
85.02834	3.1
87.00755	1.8
89.02326	1.9
93.11674	1.0
95.01223	1.4
99.00723	3.2
101.02335	5.4
105.90939	1.1
107.01273	2.3
108.01961	1.1
108.99159	2.9
111.00772	12.8
113.02309	3.0
123.00809	1.6
125.02331	7.7
125.99522	5.2
127.00268	100.0
128.00586	3.2
129.28981	1.1
133.02809	5.1
135.04367	2.1
136.98688	8.0
139.00235	2.5
145.02884	1.7
153.98932	2.2
154.99762	9.7
161.02351	18.6
169.01318	8.2
177.54819	1.0
179.03423	3.4
209.15475	1.3
283.07935	1.1
301.00037	1.5
329.17233	1.5
340.99271	1.6
347.18585	2.3
437.21979	1.2
481.20627	2.4
509.07791	2.0
509.13202	2.3
509.20193	40.8
510.20926	7.7
517.12207	1.2
520.54645	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	509.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.6
57.03313	1.5
59.01246	9.6
61.40709	0.4
61.98697	1.0
68.99699	0.7
70.16656	0.5
71.01254	8.7
71.04893	1.1
71.57867	0.7
72.99189	1.1
73.02819	1.9
73.58023	0.4
75.67257	0.4
75.80584	0.4
77.76187	0.4
81.03324	0.5
83.01284	1.3
83.04872	0.6
85.02812	4.3
87.00776	1.0
89.02312	2.7
93.03331	31.5
94.03675	1.1
95.01274	1.9
98.02348	8.1
99.00788	0.7
101.02327	6.5
107.01282	1.3
107.04916	0.6
107.92068	0.4
108.02053	1.1
109.02848	0.5
111.00772	0.7
113.02321	3.5
119.03420	0.8
119.04919	0.6
121.02839	1.7
123.00771	1.7
123.04371	0.5
123.68536	0.5
124.01594	0.7
124.05222	0.4
125.02341	5.3
133.02863	0.9
134.03600	0.5
135.04474	1.1
136.01541	2.4
137.02339	84.8
137.85358	0.4
138.01808	0.4
138.02708	3.5
139.00272	0.8
139.07544	1.4
141.01872	0.5
143.03426	0.5
145.02751	0.6
147.04480	0.6
149.02351	1.2
151.03839	0.6
153.09119	1.2
155.06967	0.6
155.10680	4.2
160.01602	0.8
161.02345	1.9
161.04411	1.0
161.09694	0.8
161.13187	0.5
163.00294	0.4
168.00545	0.7
169.01329	6.4
179.03397	2.7
180.06516	0.4
187.11224	1.0
189.09108	0.6
191.03366	0.5
193.04933	0.7
202.41074	0.4
205.12509	0.5
209.15379	0.6
211.02472	0.7
217.01285	0.7
221.04524	1.3
227.12865	0.7
227.16519	2.5
239.05547	1.3
245.00900	0.5
267.12592	0.6
271.04437	0.5
273.00330	0.6
275.02036	0.7
281.06717	1.1
300.99954	1.0
301.03580	0.5
312.99722	0.8
509.23947	100.0
510.24649	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	509.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19800	0.5
52.74299	0.5
54.19226	0.5
55.01756	0.5
55.61536	0.5
59.01253	8.4
59.12395	0.6
61.98682	0.5
67.01746	1.3
69.03307	0.6
69.83548	0.5
71.01259	7.0
71.57789	0.8
72.99171	1.0
73.02811	1.8
75.00758	1.4
79.01765	0.8
79.05396	0.5
79.98086	0.4
83.01252	1.5
85.02831	2.5
87.00759	0.6
89.02328	2.8
95.01276	3.0
97.02830	1.0
99.00727	0.7
101.02335	4.3
107.01273	5.2
107.04948	0.6
108.01531	0.6
109.02848	0.7
109.06461	2.0
111.00768	1.8
113.02328	2.7
119.03407	0.9
123.00772	15.8
124.01597	1.0
125.02341	19.8
126.02699	0.6
132.02058	1.0
133.02864	1.4
134.03641	4.2
135.04382	1.4
136.98727	1.2
137.02336	0.8
137.09555	0.5
139.00272	3.7
139.03918	0.7
140.01071	2.8
141.01874	2.4
147.04417	1.2
148.05246	0.6
149.06010	1.6
151.00276	11.2
151.03940	0.8
152.00639	0.7
153.01828	0.6
153.05490	0.7
160.01544	5.4
161.02299	1.6
161.04527	0.5
163.03947	1.0
168.00574	3.3
169.01341	30.7
170.01643	1.0
175.03903	5.6
176.04736	3.3
177.01825	0.7
178.02603	1.1
179.03410	0.8
181.04980	0.6
181.09578	0.5
191.07034	3.0
193.04993	8.0
195.10202	0.7
207.02721	0.6
207.06586	1.5
211.02434	5.8
219.81566	0.6
220.03654	0.6
235.06075	11.2
236.06320	0.7
265.07172	3.7
271.04578	5.8
295.08261	5.1
300.99896	1.4
313.05698	2.8
333.11859	1.0
355.10315	0.9
403.64481	0.5
435.08350	0.6
509.16641	100.0
510.17047	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	509.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.3
57.03321	2.2
57.66835	1.3
59.01251	36.5
61.98695	8.0
65.00192	1.7
69.49918	14.0
71.01259	29.8
72.01618	2.5
72.99200	2.1
73.02811	7.8
74.03971	1.6
75.00787	1.5
81.03364	2.4
83.01258	6.0
85.02828	11.8
86.03143	1.8
87.00772	3.3
87.04388	51.4
89.02322	9.2
89.39935	1.7
93.03287	1.9
95.01308	3.7
95.04925	2.3
99.00747	4.3
101.02325	21.0
102.02651	3.3
108.02048	2.2
109.02829	14.9
111.00772	2.6
113.02323	8.6
114.02657	2.9
119.01240	2.0
119.03411	1.9
124.01535	1.5
125.02324	5.8
126.41745	1.6
130.97446	2.0
131.03415	5.1
136.01509	1.8
137.02342	57.4
139.00273	3.4
147.00748	2.3
149.04459	2.1
159.02940	2.8
161.04456	5.9
163.00258	15.0
164.01048	16.2
165.00496	3.3
165.01851	63.1
166.02113	2.5
169.01358	6.1
175.04027	1.6
177.01787	5.5
178.99799	12.8
180.00513	3.0
190.02766	1.8
193.08507	2.3
202.99770	7.4
203.03748	1.6
206.99304	9.1
208.00082	99.1
209.00844	100.0
210.01199	5.8
219.06619	1.9
221.00813	7.7
241.03528	10.2
246.98811	26.2
317.19702	2.3
329.10315	2.4
347.18466	2.0
357.09619	3.7
377.21399	3.2
389.12476	3.2
401.09006	3.5
421.20874	4.5
426.96545	1.6
433.11087	9.9
449.31052	3.0
465.13794	8.3
465.24957	2.0
477.10303	2.7
508.35519	18.9
509.26987	11.8
509.35797	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	509.1303
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
50.05473	1.5
59.01255	5.0
61.86022	1.6
61.98718	1.8
62.95603	1.6
69.03329	2.2
71.01250	10.4
71.34166	3.8
72.99157	1.7
74.69707	1.4
75.00769	2.3
79.89667	1.4
85.02823	2.7
89.02335	3.1
93.69451	1.6
95.01291	5.0
97.02850	2.5
99.00786	3.0
101.02335	5.7
107.01266	12.5
109.06506	1.7
111.00786	6.1
113.02350	3.0
116.61189	1.5
123.00771	16.4
123.04415	1.5
125.02340	76.9
126.02662	3.6
135.04428	2.7
137.02325	2.0
139.00275	7.5
140.01108	4.1
141.01814	2.4
143.03310	1.5
147.04565	1.6
149.02344	2.8
150.03133	35.1
151.00327	8.1
151.03867	2.6
162.03108	9.4
163.03957	2.8
165.05504	28.9
166.99802	2.8
168.00540	5.8
169.01341	100.0
170.01671	4.2
177.01875	1.8
177.05470	7.4
179.05568	2.1
180.04198	6.0
185.00826	1.8
195.06557	13.9
202.99628	1.5
203.03458	1.9
211.02312	3.8
247.02390	1.9
259.85522	1.6
274.11737	1.5
275.01862	1.7
301.00015	2.8
313.05652	64.2
314.06049	4.4
316.99493	2.0
368.40878	1.9
435.92847	1.8
449.82031	1.8
479.11859	14.8
480.12451	2.4
491.11975	64.3
492.12164	9.5
509.05569	3.3
509.12985	48.5
509.28973	2.1
510.13452	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	509.1299
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
59.01246	6.6
60.43528	0.5
67.01758	0.8
69.03320	1.0
70.04762	2.7
71.01244	3.3
79.01748	1.2
83.01260	1.1
85.02817	1.3
87.00731	0.8
89.02301	0.9
95.01247	1.9
96.95887	1.8
97.02821	0.9
101.02334	1.8
107.01281	7.3
108.02087	0.7
111.00757	1.8
113.02328	1.0
119.03402	0.5
119.04942	0.8
121.02855	0.6
123.00778	11.2
123.04398	1.2
124.01553	1.5
125.02338	44.5
126.02676	1.5
127.00270	0.6
135.04434	3.6
136.05185	1.4
136.98682	1.2
137.02344	0.9
137.05980	0.7
139.00255	4.2
139.03918	0.5
140.01094	3.2
141.01807	1.8
151.00282	8.0
151.03900	1.2
151.07568	0.6
153.01801	1.1
163.03946	0.7
166.99748	1.1
167.03413	0.7
168.00578	4.2
169.01341	54.5
170.01674	2.1
177.01840	0.6
177.05435	1.0
179.03441	0.5
181.04962	1.1
183.02885	1.9
195.06573	14.6
196.06966	0.7
198.95224	0.5
205.01277	0.5
211.02414	1.1
241.03471	1.1
297.06067	0.6
300.99841	1.3
313.05673	13.3
314.05801	1.0
370.05374	0.5
444.53204	0.5
461.18161	0.5
473.16031	0.7
491.12085	8.3
492.12354	1.1
509.12976	100.0
510.13361	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	507.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	5.2
56.99038	0.8
57.03332	4.5
58.00457	3.3
59.01250	88.5
60.01574	2.1
61.01676	1.0
61.98700	5.3
63.86647	0.9
69.03320	1.7
69.14710	0.8
69.36501	3.4
69.36929	5.1
71.01252	86.0
72.01575	2.9
72.99171	6.4
73.02817	16.6
75.00751	1.7
83.01266	10.8
85.02824	29.3
87.00743	4.0
89.02316	45.3
90.02666	1.1
95.01260	6.5
97.02822	1.4
98.20624	1.3
99.00755	8.2
101.02323	60.4
102.02637	1.1
109.87112	0.9
111.00770	2.8
113.02329	35.5
114.02657	1.4
119.03394	21.0
125.02325	2.9
131.03377	2.5
132.02077	12.6
133.02805	2.0
134.03638	9.5
134.45517	0.9
135.04420	1.2
141.01904	1.2
143.03400	6.1
147.00774	3.9
149.04482	1.9
149.05972	2.1
159.02908	6.3
160.01572	52.1
161.01985	2.7
161.04454	18.5
161.05804	1.2
162.04750	1.1
169.01357	1.4
175.00308	3.9
175.03920	61.9
176.01071	2.7
176.04266	3.4
177.01848	1.2
179.03357	1.9
179.05522	6.1
179.10828	1.0
189.09605	0.9
191.03410	1.1
193.04984	11.5
195.17358	1.1
202.99777	5.2
221.00847	2.0
235.02455	5.1
246.98810	6.6
279.01465	22.2
280.01978	1.1
299.26004	1.1
324.99915	1.7
343.28546	2.6
345.16843	1.3
345.30038	18.2
346.30017	2.0
352.57361	1.0
375.23822	2.0
447.30029	1.8
507.10611	1.7
507.22504	42.6
507.35272	100.0
508.22504	7.9
508.35617	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	507.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.2
59.73130	0.7
61.98714	0.8
78.95782	2.2
79.95629	1.3
87.04404	0.8
96.95937	0.8
98.19781	2.4
101.19238	0.7
107.07298	0.7
117.03365	1.1
133.02859	25.0
134.03694	5.6
135.04434	15.1
137.02357	1.9
139.03934	1.2
148.05251	0.7
152.99503	3.7
161.02361	100.0
162.02690	5.4
169.43285	0.7
179.03416	5.0
225.22275	0.7
271.22760	9.5
279.23294	23.3
280.23535	3.5
347.25851	9.9
348.26178	1.1
371.25967	0.9
415.24908	47.2
416.25189	7.3
433.20166	1.1
433.25940	17.1
434.26260	2.2
507.29498	66.2
508.29892	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	507.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07008	0.5
55.01757	5.1
57.03322	5.6
58.00465	0.8
59.01253	23.8
61.98705	1.0
68.99687	0.6
69.03344	0.8
69.43160	3.1
69.43575	1.6
71.01256	46.3
71.10397	0.6
72.01585	1.1
72.99176	2.3
73.02824	18.2
75.00728	0.6
82.88689	0.4
83.01261	10.1
84.02037	0.6
85.02826	28.3
85.99978	1.0
86.03156	0.8
87.00770	3.2
89.02323	4.9
91.73569	0.5
95.01276	3.9
97.02834	1.7
99.00759	8.1
101.02325	40.5
102.02633	0.6
107.01315	0.7
110.76049	0.6
111.00768	6.4
113.02335	17.1
114.02707	0.6
119.03364	1.2
125.02338	2.6
129.01797	2.5
132.02090	1.9
133.02826	0.5
134.03592	1.1
135.04568	0.5
141.01764	0.6
143.03392	1.9
145.02930	0.6
157.12317	0.6
159.02896	6.3
160.01569	5.8
161.04462	14.9
169.01363	1.3
171.13803	0.8
175.03932	5.9
176.14775	0.5
193.05087	0.8
197.15292	0.7
226.07210	0.5
271.79385	0.5
299.25888	3.2
313.05652	0.9
345.26675	0.5
345.30087	12.7
346.30518	1.3
507.22598	5.3
507.35400	100.0
508.35648	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	507.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54429	0.4
59.01252	2.5
63.40147	0.4
70.60741	1.5
72.85731	0.4
78.95775	9.2
79.61557	0.4
83.54841	0.4
85.51563	0.5
87.04408	0.7
96.95883	0.7
96.96853	0.6
101.05961	0.5
133.02835	0.9
135.04407	0.5
147.55565	0.4
152.99495	13.8
153.00749	0.7
161.02336	4.4
171.00542	1.3
185.82394	0.5
205.45062	0.5
213.13278	0.5
227.03156	2.7
245.04340	2.1
279.23294	100.0
280.23639	11.6
281.24905	0.5
282.25211	0.8
319.77969	0.4
346.19992	0.4
374.27542	0.4
415.24854	1.7
419.31845	0.5
433.25885	0.6
463.36786	0.7
507.27426	19.4
507.36401	5.8
508.27579	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	507.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.1
55.33520	1.3
57.03317	1.5
57.25848	1.1
57.26142	1.1
57.40194	1.3
58.00463	2.5
59.01250	100.0
71.01254	33.7
72.99188	1.4
73.02813	2.7
80.00307	1.1
83.01269	3.4
85.02843	6.3
87.00736	3.1
89.02318	51.6
99.00717	1.4
101.02315	22.8
102.02664	1.2
113.02322	14.0
119.03379	16.3
125.02319	3.6
131.03397	39.0
131.04388	2.0
140.41238	1.2
143.03400	4.3
149.04446	18.8
161.04424	5.9
179.05531	14.3
191.05553	16.8
229.66920	1.2
255.58424	1.2
287.09137	1.2
315.17935	2.0
384.76459	1.3
447.22388	5.7
448.22519	1.9
448.45615	1.4
469.74973	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.224
Annotation	Milolide K
Peak:m/z	Relative Intensity
55.01752	2.0
57.03302	1.9
58.00460	1.0
59.01254	27.8
61.98700	1.2
70.43876	0.5
71.01257	19.6
72.99173	2.2
73.02827	4.4
75.00746	0.7
81.48789	0.5
83.01273	3.4
85.02826	8.0
87.00742	1.7
89.02317	9.2
95.01257	2.4
95.04902	2.4
98.20674	1.0
99.00771	1.6
100.82315	0.6
101.02325	14.7
107.01286	0.9
107.46558	0.6
113.02328	6.7
119.03420	2.6
122.03620	0.8
123.00778	1.7
125.02309	3.4
131.03329	0.7
132.02080	0.7
137.05992	1.0
139.00235	0.7
145.02835	1.1
160.01547	2.2
161.02345	1.7
161.04475	1.3
163.00238	0.7
166.99585	0.5
169.01323	4.5
175.03973	0.9
176.01102	0.6
177.01877	0.7
187.00294	0.7
189.01884	1.5
198.02684	0.5
203.03416	1.5
205.01384	1.0
207.02965	0.8
214.99741	1.4
216.00566	3.9
217.01248	0.7
219.06523	0.7
232.00023	1.1
245.32623	0.6
247.02527	1.3
248.03148	1.9
259.99649	5.2
265.16092	1.3
275.01959	1.0
283.17084	3.5
286.98221	1.2
287.99051	1.5
300.99881	0.8
301.18045	3.8
303.01492	1.2
306.03680	0.7
307.04523	3.6
313.05750	0.6
314.97815	1.1
319.00781	0.7
327.16019	0.9
345.17154	2.3
347.00519	0.8
351.03574	1.2
379.03006	1.0
400.79047	0.6
445.22470	0.9
447.26401	1.3
463.12387	1.7
463.23251	1.7
489.10251	0.7
489.20883	0.8
507.11505	9.3
507.22351	100.0
508.10980	1.5
508.22696	16.4
508.97549	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2242
Annotation	Milolide K
Peak:m/z	Relative Intensity
55.01747	2.5
57.03313	2.6
58.00460	2.8
59.01255	76.8
61.98688	2.6
65.28168	0.7
67.01749	0.8
69.25741	10.2
71.01257	42.3
72.01591	1.6
72.99175	4.3
73.02818	7.5
73.30690	0.8
76.45628	0.7
76.84614	0.9
83.01245	5.3
85.02828	14.6
87.00756	2.0
89.02319	30.3
93.03336	1.1
95.01269	4.3
95.04896	2.6
97.02830	1.1
99.00744	3.1
101.02328	29.8
107.01262	3.4
109.02879	0.9
111.00755	1.3
113.02333	15.6
114.02644	0.8
117.34182	0.8
119.03393	11.8
121.02863	0.9
123.00790	1.5
125.02343	9.9
127.00232	0.9
129.01846	1.0
131.03424	7.6
135.04443	5.6
137.02354	1.4
139.00267	2.0
140.01082	1.1
143.03328	1.6
149.04454	2.5
161.04486	6.5
161.05775	1.2
165.52069	0.9
168.00513	1.5
169.01344	10.0
177.01828	1.0
179.03426	5.2
179.05518	2.5
187.11186	1.4
189.01929	0.9
191.05594	1.0
215.10684	2.8
219.10182	3.0
255.17668	1.0
265.15994	4.6
268.14777	0.9
271.17624	1.0
275.12933	0.8
283.17056	8.1
287.13947	1.1
299.16818	1.0
300.99857	1.5
301.17990	3.2
313.05685	1.6
315.18149	11.3
316.18408	1.4
327.16022	9.5
328.16220	1.1
440.28879	0.9
447.21201	2.4
447.27075	8.6
448.26718	1.7
450.01971	0.9
463.23517	2.4
489.20721	1.0
507.22330	100.0
508.15485	2.0
508.22678	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	507.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40423	7.1
56.25388	7.5
56.25677	8.2
59.56683	8.0
65.55575	9.5
71.57124	11.0
75.00746	9.7
82.04520	7.5
84.63002	6.8
84.65867	7.6
87.00756	28.5
87.24599	7.6
105.01830	25.2
137.14464	6.9
139.62721	8.4
147.87448	7.7
165.03947	100.0
181.33783	9.2
224.60223	7.9
237.10481	8.5
350.85449	7.8
466.03912	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	507.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86976	4.4
71.01255	5.6
71.56918	8.6
75.00740	6.5
85.55680	4.5
87.00760	10.7
101.86538	4.7
105.01818	19.6
110.76545	5.5
116.16220	5.2
128.43896	4.7
139.96588	4.9
147.02917	6.7
154.50693	4.6
155.25258	4.7
165.03978	100.0
166.40631	4.9
177.31656	5.1
236.72658	5.3
357.94040	4.8
437.07291	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	507.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	3.5
60.48001	0.6
70.29370	0.6
71.01275	3.8
71.57212	0.9
75.99447	0.6
85.02825	1.2
89.02340	1.4
93.03320	0.7
95.01257	1.1
96.95920	1.1
101.02325	2.4
104.04933	0.8
106.06515	1.4
107.01269	4.6
111.00789	1.5
113.02333	1.2
117.97196	1.0
121.02802	0.7
122.02351	0.8
122.06000	1.1
123.00768	3.6
124.07574	2.6
125.02348	15.3
126.02673	1.2
132.03459	1.2
132.04459	22.9
133.05261	11.9
134.03653	5.4
134.06053	3.3
134.06920	0.7
135.04393	1.3
136.04788	0.7
137.02309	1.3
138.05487	1.0
139.00264	1.2
140.01019	0.8
145.02930	0.7
145.30640	0.6
148.03978	1.3
149.05971	2.6
150.05487	1.4
150.22650	0.6
151.00299	2.0
161.02318	1.7
165.04245	13.8
165.73582	0.8
166.73051	0.6
166.99750	1.4
168.00577	0.8
169.01355	24.9
170.01709	1.3
173.02332	0.9
176.03473	1.7
177.01825	0.9
177.04257	2.4
178.02654	6.2
178.04994	1.1
179.03441	1.3
185.00919	0.8
186.09224	2.2
192.00464	1.0
193.01366	1.2
193.04996	7.6
198.09174	0.9
209.03214	5.2
211.02466	0.8
213.06602	0.8
214.12323	2.9
215.11885	4.6
227.08127	1.2
229.01379	0.8
229.09827	2.3
240.10402	0.9
241.09822	3.0
257.12955	16.8
258.13239	1.3
283.10922	7.5
284.11145	1.3
300.99945	2.7
301.11957	10.6
302.12225	1.0
313.05685	11.3
345.10922	100.0
346.11255	9.2
411.16342	0.7
462.23828	0.8
463.12439	1.5
507.10800	19.7
508.11765	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.4
57.76526	0.3
59.01210	1.2
60.01509	0.2
60.27422	0.2
69.03313	0.7
69.52715	2.5
71.01225	0.7
73.02793	0.2
84.94959	0.3
85.02799	0.7
95.01230	0.4
96.95881	0.3
97.02826	0.3
101.02290	0.5
101.05930	0.8
107.01319	0.6
108.02035	0.4
109.06543	0.3
112.65350	0.3
113.02281	0.4
119.01287	0.5
119.04900	1.2
120.02056	0.7
123.00766	2.1
125.02316	1.1
135.00764	1.7
136.01581	0.3
155.07047	1.8
160.01585	0.4
163.00269	3.4
163.03908	0.9
164.01070	1.6
169.01366	1.4
175.00299	0.5
175.03923	0.5
190.99794	10.0
192.00575	83.5
193.00929	4.5
193.92609	0.3
205.01463	0.4
206.02148	4.6
207.02937	100.0
208.03278	6.1
211.02406	0.4
271.04639	0.8
317.17773	0.5
345.17313	0.4
369.08524	0.8
487.99463	0.3
507.15317	12.3
508.15564	2.0
520.32526	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.1
57.03311	1.5
58.00468	1.1
59.01253	26.0
61.98711	6.2
65.00182	1.1
67.01752	1.0
71.01255	19.3
71.58337	0.8
72.99179	1.5
73.02818	16.9
75.00739	0.8
75.02269	1.5
75.12581	0.6
79.30331	0.5
80.02562	0.6
81.03321	0.6
83.01260	2.1
83.04832	0.7
85.02826	4.9
87.00737	1.5
87.04389	5.3
89.02321	15.9
91.01777	2.8
93.03336	2.0
95.01262	2.3
95.04864	0.8
99.00747	3.1
101.02331	12.5
101.06012	1.4
107.01292	1.0
107.04941	0.8
108.02061	2.3
109.02834	2.4
111.00741	1.3
113.02331	6.5
117.96286	0.6
119.01292	6.0
119.03430	3.6
119.04926	1.2
121.02832	2.5
123.00761	1.5
123.04388	0.9
125.02355	3.8
127.07563	0.7
131.01280	4.7
131.03403	5.4
132.02026	1.2
133.02809	2.0
135.04401	2.3
136.01567	0.9
137.02382	3.1
137.06001	1.0
140.01103	0.5
143.03415	0.8
145.02841	1.8
147.00789	21.4
147.04408	0.9
148.01569	6.5
149.02310	2.4
149.04457	8.4
151.00287	1.0
151.03902	2.2
159.00809	5.0
159.04541	0.8
160.01561	2.3
161.02380	1.3
161.04453	3.7
163.00305	2.4
163.03909	1.7
164.00978	1.4
165.01822	1.8
169.01366	3.3
172.01656	0.7
174.98779	1.1
175.00299	20.6
175.03822	1.2
176.01073	23.1
177.01794	3.9
178.99776	1.1
179.03415	4.3
179.05559	2.2
189.01805	1.4
190.02605	2.1
190.99783	2.3
191.03456	8.1
191.05429	1.2
192.00508	3.0
193.01364	1.5
202.99802	31.4
203.03421	1.3
204.00203	2.2
205.01320	1.5
205.05031	0.7
206.99190	0.6
207.02945	4.0
208.00069	2.6
209.11722	0.9
213.05556	0.7
214.99835	2.3
216.00562	3.9
217.01137	0.7
218.99298	2.8
219.06691	0.8
220.00128	1.4
221.00867	8.7
231.03067	0.7
231.99980	0.7
235.02452	23.7
236.02731	1.2
242.99339	0.9
246.98824	31.9
247.99094	1.1
248.03113	0.9
259.99573	4.4
275.01602	0.9
279.01471	100.0
280.01843	7.1
287.99161	2.0
300.02695	0.6
300.99844	1.4
303.01440	2.6
307.04654	1.3
314.98108	0.8
315.18082	2.5
361.90717	0.6
375.23816	0.9
447.22226	7.4
447.28012	0.8
449.07706	0.7
463.12619	1.4
475.08929	1.5
489.10199	2.0
506.34348	0.9
507.11591	13.1
507.19269	1.3
507.25507	1.8
507.31802	15.4
508.11868	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.7
57.03318	2.6
57.45573	1.1
59.01254	31.8
59.98410	1.2
71.01258	19.5
72.99198	2.1
73.02815	4.0
83.01266	3.9
85.02840	8.6
87.00728	2.0
89.01839	1.3
89.02302	7.8
95.01275	3.3
95.04920	7.3
96.28843	1.2
97.02842	2.4
98.20653	2.1
99.00775	2.5
101.02338	12.8
107.01262	1.3
108.02081	1.7
109.02893	1.8
111.00793	1.3
113.02336	7.2
117.03333	1.9
119.03400	3.0
121.02884	1.4
123.00772	4.8
124.05212	1.1
125.02344	8.7
131.01285	2.1
132.02080	3.7
133.02803	3.1
135.04440	2.0
137.02258	1.2
143.01294	1.9
145.02875	6.1
147.00771	1.4
147.04373	2.6
148.01598	3.4
151.00252	1.9
159.04422	2.7
160.01579	12.1
161.02377	10.0
161.04514	2.3
161.06081	1.1
163.00287	3.5
163.03926	3.2
164.01073	2.3
169.01370	7.7
171.00774	1.5
172.01599	5.6
173.02248	2.0
175.00334	1.6
175.03908	6.6
176.01088	3.8
177.01828	4.8
187.00259	7.2
188.01054	4.9
189.01883	15.4
190.02518	3.3
190.99799	3.1
191.03444	2.9
192.00546	3.7
202.99734	1.7
203.03427	16.4
204.04192	3.0
205.01370	8.5
207.02921	3.1
214.99840	15.8
216.00587	40.8
216.03839	1.7
217.01236	4.9
219.02939	4.3
219.06552	9.9
231.02908	3.8
232.00093	12.5
233.00751	5.2
235.02602	1.9
242.99319	4.9
244.00133	3.3
245.00911	5.5
247.02513	10.3
247.99487	1.5
248.03247	14.4
259.99625	60.0
261.00079	4.1
263.01883	2.3
265.16122	1.4
270.98923	1.6
275.01938	8.0
283.17010	2.3
286.98441	9.9
287.99155	16.9
288.99811	7.1
292.02255	4.5
296.44818	1.2
298.05005	1.4
301.18161	3.2
303.01459	21.5
304.01791	1.9
306.03766	5.3
307.04642	28.6
313.05713	2.2
314.97845	11.1
319.00958	12.9
325.07031	2.5
335.04095	2.6
337.07089	1.4
345.17032	1.7
347.00555	7.2
351.03568	12.2
353.06641	2.2
359.15503	1.3
379.03094	7.9
381.06256	2.1
399.07193	1.3
445.11633	6.7
447.26227	2.3
463.12473	12.5
463.23047	1.9
464.12628	2.5
475.08948	1.6
489.10541	6.2
507.11368	100.0
507.22336	86.4
507.30103	2.2
508.11682	14.3
508.22797	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	9.7
56.02084	0.8
57.03326	9.7
58.00460	3.2
58.03673	0.8
59.01255	55.9
60.01589	3.2
61.98707	4.7
67.01773	1.0
68.99682	1.4
69.03312	1.6
70.91840	2.5
71.01254	100.0
72.01588	9.5
72.99191	4.1
73.02821	33.8
74.03161	3.1
75.00765	2.7
75.25656	0.8
78.95778	1.0
79.01814	1.1
83.01257	17.5
84.01594	2.4
85.02825	53.2
85.99980	1.9
86.03152	6.8
87.00777	5.8
87.04412	1.8
88.63640	0.8
89.02319	15.0
91.01723	1.0
91.05441	1.0
93.03336	2.4
95.01266	8.1
95.04911	1.1
96.01641	1.0
97.02831	2.6
99.00753	12.9
100.01105	1.9
101.02325	69.2
102.02667	10.5
103.02775	1.7
107.04926	1.3
109.02876	0.9
109.06483	1.5
111.00760	8.1
112.01071	1.1
113.02331	37.5
114.02664	4.6
119.03395	4.0
119.04906	1.2
121.02861	1.6
121.06578	1.0
123.00794	3.0
123.04433	1.0
125.02334	7.7
128.11504	1.0
129.01826	3.7
131.03403	1.5
134.03630	1.0
135.00819	1.1
135.04420	4.5
137.02348	2.0
138.81699	0.9
141.01884	2.1
143.03436	4.0
145.02924	1.2
149.02374	1.4
149.13304	2.5
150.13594	2.3
151.00313	4.1
153.05482	3.1
157.12270	3.9
158.12601	3.7
159.02901	9.3
160.01645	1.2
160.03232	1.5
161.04453	28.9
162.04832	6.3
163.03833	1.3
163.05034	1.0
169.01370	2.2
175.03969	2.5
176.01059	1.0
177.01816	1.3
177.05467	1.0
178.99785	21.2
179.05676	0.9
189.01945	1.0
197.06091	1.2
203.03271	1.3
218.99373	2.5
219.06557	16.2
220.06844	1.1
221.04478	1.0
227.03456	1.6
227.07130	1.0
247.02657	1.1
251.01962	3.5
251.06993	1.0
253.05190	2.2
255.10272	2.3
260.03323	2.7
267.03174	1.1
267.06622	1.6
273.04147	1.3
281.04660	1.7
283.09698	2.3
285.03909	1.7
295.06299	1.4
296.06659	1.2
297.07751	1.0
297.24323	1.0
299.05640	2.7
311.09250	3.0
313.07416	2.0
319.01013	1.8
323.05664	0.9
327.05197	0.9
327.08865	5.2
340.05951	2.1
343.28476	5.4
344.28857	12.1
345.29883	11.4
355.08221	29.8
356.08591	3.2
371.20889	3.2
372.08530	1.8
387.10794	12.2
388.11353	1.3
399.07281	1.3
431.09909	5.1
493.38242	1.0
506.34195	73.8
507.35110	82.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54668	0.3
59.01260	2.3
63.62075	0.3
67.01759	0.4
69.03329	2.4
69.25584	0.7
69.25997	2.4
71.01262	1.5
72.99156	0.4
81.03339	1.2
83.01235	0.4
85.02817	0.4
87.00737	0.3
88.98692	0.6
89.02317	0.8
95.01273	0.8
97.02845	1.8
99.00739	0.3
101.02338	0.4
107.01287	0.6
108.02057	0.7
111.00784	0.3
113.02317	0.5
119.04902	0.6
123.00791	1.1
124.01584	1.5
125.02342	66.8
126.02682	1.7
134.03639	0.6
135.04388	0.5
139.00203	0.3
149.99486	0.4
151.00336	0.5
152.01050	0.5
155.41603	0.3
160.01514	0.9
161.02330	0.4
163.03947	0.5
168.00594	1.9
169.01343	100.0
170.01669	2.7
175.04022	0.7
191.03523	0.4
193.05066	0.6
207.02960	0.4
223.96870	0.2
269.10208	0.3
287.90836	0.4
313.05698	0.5
331.06668	1.0
337.09427	0.3
391.27106	0.3
491.30038	0.3
507.10468	2.2
507.24380	0.6
508.11642	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	2.5
60.51072	0.7
67.01760	0.8
69.03326	1.3
69.46641	3.3
69.47070	3.0
71.01244	5.6
72.99174	0.9
83.01252	0.8
85.02842	1.4
89.02282	0.7
91.21393	0.8
95.01265	2.5
97.99005	0.7
101.02317	1.7
107.01283	7.9
109.99938	0.7
111.00784	2.1
113.02293	1.7
121.02824	0.9
123.00773	11.0
124.01559	0.9
125.02338	59.6
126.02682	1.8
134.03629	25.7
135.04358	2.6
136.98714	1.1
137.02354	5.7
139.00284	3.0
139.03923	1.9
140.01060	2.1
141.01875	0.8
149.05980	10.4
151.00290	7.8
153.01805	1.0
168.00537	4.2
169.01340	90.8
170.01680	4.0
178.02632	23.0
179.03406	4.7
181.04924	0.8
183.02884	1.5
193.01291	1.2
193.04985	28.0
194.05354	1.1
211.02435	2.0
223.02580	0.9
224.57959	0.8
241.03566	2.1
253.03445	1.7
300.99799	1.3
302.27414	0.8
305.75101	0.7
313.05649	52.0
314.05878	4.1
327.07153	1.4
463.12619	2.6
464.12762	0.9
507.11414	100.0
508.11755	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	507.1144
Annotation	Moghanin A
Peak:m/z	Relative Intensity
50.23487	1.3
54.93422	1.6
59.01246	8.1
69.03309	1.4
70.20518	6.7
71.01253	8.0
75.73312	1.4
85.02817	2.7
89.02299	3.2
89.45625	1.2
95.01247	3.1
97.02805	1.8
98.20459	2.4
101.02322	2.9
107.01283	10.3
109.02823	2.0
111.00766	3.5
113.02312	2.9
121.02809	2.2
123.00765	11.1
124.01606	2.5
125.02343	61.7
126.02657	1.8
128.85049	1.7
134.03615	25.0
134.04536	2.7
136.98665	1.8
137.02321	6.5
139.00272	6.5
139.03920	2.6
140.01018	1.8
149.05991	9.2
151.00244	7.7
152.03445	3.2
156.61522	1.4
165.01839	1.5
166.99776	2.9
168.00529	4.2
169.01337	77.2
170.01653	3.5
178.02618	14.9
193.04980	26.7
194.05330	2.9
211.02449	1.8
214.99847	1.4
300.99911	5.1
313.05655	33.6
314.05844	1.8
355.10272	1.7
463.12570	13.2
464.12851	2.1
489.10110	3.6
507.11420	100.0
508.11719	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	505.3536
Annotation	Lycernuic acid D
Peak:m/z	Relative Intensity
53.52498	1.7
56.86545	1.6
57.03314	4.5
59.01246	11.8
59.69854	1.5
60.92620	1.9
64.86829	1.7
70.89633	2.0
70.89965	2.7
71.04906	2.3
87.00741	16.3
95.04893	1.8
96.78351	1.4
101.05951	2.0
103.03915	4.4
111.08053	1.8
125.74647	1.4
201.35280	1.7
230.80724	1.7
297.22278	2.0
313.25485	9.3
314.25858	2.3
329.28546	12.4
330.28842	2.8
341.28491	2.1
345.31601	4.2
357.31650	2.0
369.27783	2.8
389.30627	18.0
390.31216	1.8
399.36298	13.9
401.30820	5.6
415.32281	6.3
416.32748	1.8
425.34247	9.7
433.33292	7.0
443.35327	81.6
444.35480	13.9
448.11899	1.9
469.33142	3.2
487.34601	4.4
505.35428	100.0
506.35657	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	506.151
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98881	0.4
59.01249	1.9
69.64395	3.0
71.01259	1.3
86.24826	0.3
87.00742	0.5
93.03345	0.5
94.24036	0.4
95.01234	0.4
95.91105	0.4
107.01263	0.5
108.02056	8.0
123.00751	0.8
125.02339	2.9
126.02677	0.7
135.04366	0.8
137.02327	0.9
138.01868	100.0
139.00270	0.5
139.02243	3.5
155.03386	0.6
163.00308	0.4
166.99722	0.7
168.00465	0.6
169.01350	5.9
170.01654	1.0
173.04477	0.7
177.01833	0.5
179.03453	1.1
191.05533	1.8
192.05885	0.7
275.02072	0.6
299.99319	0.7
300.99893	1.8
312.29428	0.4
316.99207	0.6
341.62320	0.4
344.07129	0.9
463.05426	0.5
506.10498	1.4
507.11017	1.1
531.59131	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	6.2
57.03323	5.4
58.00465	0.8
59.01254	31.2
69.33595	2.2
69.34017	5.2
71.01254	47.8
72.99159	1.7
73.02818	17.4
83.01257	10.2
84.62173	0.7
85.02825	26.5
85.15741	0.7
85.99963	1.5
87.00765	2.5
89.02327	5.5
95.01277	4.5
97.02852	1.8
99.00768	7.9
101.02326	39.9
102.02644	1.1
105.38552	0.8
111.00761	8.1
113.01537	1.1
113.02327	17.9
119.03348	2.4
121.10126	1.0
125.02332	2.2
129.01813	1.7
131.03320	0.8
138.02742	0.7
139.74797	0.7
141.01804	0.9
143.03426	1.5
159.02902	4.5
161.04469	14.4
171.13803	2.0
185.15292	0.9
189.77519	0.8
200.30241	0.7
201.45554	0.9
213.18513	1.0
333.19073	1.8
343.28516	9.8
344.29068	1.3
347.20883	1.7
375.23923	2.2
389.11121	0.9
427.96414	0.8
475.32861	2.7
505.33917	100.0
506.34204	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	505.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	6.6
57.03326	6.7
58.00464	3.7
59.01251	49.9
60.01574	1.5
61.01674	0.9
61.98686	1.0
69.40827	6.3
69.41234	2.0
71.01253	81.2
72.01573	2.4
72.99174	4.0
73.02815	23.8
74.03159	1.0
75.00771	1.7
75.03235	0.9
75.79781	1.0
81.03316	0.9
83.01257	13.2
84.02036	1.1
85.02824	42.1
85.99971	0.8
86.03172	2.4
87.00749	4.3
89.02311	21.6
89.02829	1.4
93.03329	1.3
95.01257	7.1
97.02818	2.3
97.95803	0.9
99.00761	8.6
101.02323	63.5
102.02644	3.5
103.02759	1.1
111.00762	6.3
113.02333	32.4
114.02683	1.1
119.03394	10.2
121.02846	1.3
124.16212	0.7
125.02374	2.1
129.01833	2.0
131.03366	1.2
141.01820	1.1
143.03392	5.6
147.00819	1.1
149.13278	1.9
152.50848	0.8
157.12282	2.1
159.02870	7.4
161.03195	1.8
161.04459	25.5
162.04823	1.9
163.05002	1.0
171.13805	1.8
179.05553	2.7
185.15437	1.1
257.50491	1.1
259.00497	0.8
272.80206	0.9
279.01486	2.3
343.28497	18.6
344.28787	1.6
360.76978	0.9
469.31137	2.1
475.32544	1.7
505.33661	100.0
506.34015	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	505.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97981	0.5
57.03321	1.2
59.01245	5.7
71.01257	0.7
71.04885	0.8
71.56485	0.7
71.56903	0.7
73.02792	0.6
78.95773	16.3
83.04887	0.8
85.02800	0.6
85.06448	1.6
87.04387	2.1
96.96814	1.2
97.06485	1.0
99.00735	0.6
109.06425	0.5
111.00735	0.8
125.09629	0.8
127.07481	0.6
149.16385	0.6
152.99484	20.8
153.99797	0.7
165.12733	0.5
168.04303	0.6
171.00497	1.5
195.13789	1.2
223.13542	0.5
223.16953	0.8
227.03166	3.7
233.15396	0.5
242.07924	2.0
243.08411	0.7
245.04242	2.1
254.55063	0.6
275.20166	1.0
277.21707	100.0
278.22043	8.8
279.23282	38.6
280.23615	52.7
281.23889	2.2
385.27298	1.0
399.32574	0.9
429.26440	0.9
443.35803	6.1
461.36163	1.9
469.34125	0.6
487.34793	5.4
488.34677	0.7
489.77664	0.6
504.34308	2.6
505.25638	17.7
505.35059	39.3
506.25757	2.9
506.36588	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	505.302
Annotation	Cepafungin III
Peak:m/z	Relative Intensity
55.01731	2.6
57.03301	2.5
58.00443	1.8
59.01253	88.5
60.01568	1.1
61.98689	1.8
63.67913	0.8
69.03276	0.9
69.24163	10.3
71.01254	46.7
72.99152	3.6
73.02818	10.7
83.01261	6.8
85.02828	20.6
86.57296	1.0
87.00716	2.4
89.01758	1.0
89.02316	19.1
93.03336	0.9
95.01223	3.4
97.02807	1.6
99.00748	5.0
101.02324	34.3
111.00746	1.8
113.02336	17.6
119.02713	0.8
119.03384	8.8
119.05012	0.8
125.02325	2.0
131.03384	1.2
138.01826	4.9
141.12688	2.5
143.03351	2.0
146.31467	0.9
159.02831	2.4
160.09906	0.9
161.04468	7.9
179.05460	2.2
187.31134	0.8
209.11543	1.4
237.22066	2.5
239.20134	5.5
283.43134	1.0
310.12814	1.0
343.28558	5.4
440.32257	0.8
445.27618	2.3
487.29147	5.5
488.28601	1.0
504.68997	1.4
505.29843	100.0
506.30307	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2574
Annotation	Amoritin
Peak:m/z	Relative Intensity
54.89890	0.8
56.42622	0.8
57.24414	0.7
59.01245	3.1
70.05254	4.7
78.95776	26.8
84.23981	0.8
96.96870	2.0
152.99492	40.3
153.00761	1.9
171.00595	1.9
207.17348	0.9
211.09689	1.1
227.03256	7.1
245.04274	2.3
277.21719	100.0
278.22049	8.4
279.23273	2.7
280.23520	5.2
292.94470	0.9
344.22144	1.0
369.51132	1.1
403.73093	0.9
413.20892	1.4
468.01599	0.9
505.25601	47.5
505.31937	4.6
506.26074	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	505.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60008	1.4
53.20149	1.3
53.51682	1.3
53.78931	1.4
54.73051	1.3
55.01756	6.2
57.03329	9.2
58.00204	1.3
58.00466	4.8
59.01254	78.8
61.87271	1.3
61.98701	3.9
69.03329	1.8
71.01257	100.0
71.06985	3.5
72.01585	1.5
72.99180	7.5
73.02829	23.6
75.00765	1.9
75.09546	1.3
83.01259	14.8
83.04852	1.4
85.02827	48.0
87.00769	7.1
89.02322	39.7
95.01254	8.5
97.02840	4.2
99.00764	15.4
99.04331	1.5
101.02328	78.4
107.04918	2.0
108.02061	5.6
109.02853	2.8
111.00744	2.2
113.02330	43.1
114.02633	2.1
116.92715	1.5
119.03403	23.2
123.00774	2.4
124.31221	1.3
125.02318	8.5
131.03387	4.2
133.06508	2.1
143.03391	5.6
147.04462	1.8
147.08083	2.0
149.04463	4.4
152.01073	6.3
153.01828	2.1
159.02887	7.6
159.04253	1.8
161.02365	2.1
161.04460	36.3
161.05981	39.8
162.04759	1.6
165.05415	1.9
166.99731	1.7
169.01323	6.3
175.03911	2.1
175.07579	3.0
179.03404	1.7
179.05563	6.5
179.82027	1.3
180.05737	2.1
202.02650	2.3
203.03311	1.7
205.03360	1.9
209.11723	1.9
223.11168	2.5
253.16017	4.2
255.17509	6.2
256.17786	1.7
265.12296	1.8
281.15479	14.2
283.06403	1.9
299.16525	65.1
300.16943	7.1
300.99942	3.2
301.18173	2.8
313.16507	5.7
343.11835	7.5
343.15491	5.3
373.21976	4.0
401.19537	2.2
445.20541	3.0
461.21948	16.8
462.22256	2.9
505.18063	6.1
505.20737	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	505.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15221	0.9
57.03305	1.4
58.00457	3.4
59.01252	92.7
60.01594	0.9
69.03337	1.1
71.01254	25.3
72.99184	6.3
73.02818	11.7
75.00746	1.5
81.03323	1.2
83.01261	1.6
83.04863	1.0
85.02824	20.7
87.00752	1.8
89.02316	22.3
93.03330	1.1
95.01273	1.2
99.00699	1.3
101.02320	24.9
103.03895	19.2
107.01263	1.9
108.02041	4.5
109.02866	7.0
110.55150	0.9
113.02368	2.1
117.03327	1.3
119.03397	9.0
119.04852	1.4
121.02821	5.9
122.03599	2.9
123.00728	2.5
123.04431	6.1
125.02312	3.6
127.03899	2.9
133.02852	1.4
135.04378	3.2
137.02356	3.3
143.04909	1.2
145.02837	2.7
145.04919	2.1
146.03452	1.0
147.04425	1.2
149.05954	1.3
158.03645	1.9
159.04402	7.4
160.01570	1.7
160.05223	13.7
161.02338	3.2
161.04602	1.5
161.05972	5.9
163.03931	1.2
163.06038	6.8
164.04628	1.1
169.01338	4.7
171.04463	2.4
172.05208	9.5
173.06050	10.7
174.03181	1.1
174.06487	1.0
175.03952	2.9
175.07597	6.1
179.03464	2.1
180.34286	0.9
182.24614	1.1
187.07558	4.4
189.05496	18.6
190.06284	22.1
191.06604	1.1
203.07104	1.4
205.08635	16.8
206.09026	1.3
207.49677	1.0
239.05553	1.2
263.07111	1.2
264.07962	1.3
266.05997	1.3
271.04413	1.4
280.07471	1.4
281.08231	6.1
293.08347	1.0
293.38623	1.0
295.09686	3.0
296.10510	12.6
297.10889	1.0
308.10406	1.8
311.09509	1.2
311.12949	16.3
312.13373	1.6
326.11542	1.8
329.14008	3.2
341.13928	100.0
342.14264	10.6
505.20963	12.7
506.21042	1.8
520.50714	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.7
58.00455	4.7
59.01252	100.0
60.01599	1.6
61.98704	2.2
64.20759	1.4
71.01255	39.9
72.99184	7.3
73.02827	13.3
75.00746	3.7
79.16682	1.5
83.01237	3.5
85.02821	24.7
87.00753	5.3
89.02317	30.0
93.03343	5.4
95.01276	2.3
99.00801	4.2
101.02326	34.4
103.03891	17.1
107.01283	3.1
108.02058	6.2
109.02831	7.3
111.00756	1.8
113.02330	5.9
119.03402	12.2
121.02834	7.6
122.03655	2.6
123.00771	3.6
123.04424	8.5
125.02347	11.0
127.03887	2.6
131.03395	2.5
133.02823	3.0
135.04420	3.9
137.02390	9.0
145.02844	3.3
149.06082	2.3
154.01375	4.8
158.03569	1.7
159.04442	6.5
160.05177	11.3
161.02354	4.9
161.04459	4.9
161.05957	6.6
163.06056	6.0
167.03664	1.9
169.01324	8.5
172.05225	8.7
173.05980	6.8
175.03978	3.8
175.07573	6.3
177.01862	1.8
179.03447	7.0
179.07033	4.9
187.07597	4.1
187.50363	1.9
189.05542	14.7
190.06300	14.6
205.08644	15.9
211.09727	2.6
227.03653	2.0
228.04205	4.8
229.04919	2.1
230.19968	2.1
239.05548	5.3
243.06656	8.9
244.07242	1.9
257.08151	4.3
281.08206	4.2
295.09613	2.5
296.10565	11.8
299.16498	3.4
300.99893	2.6
310.08499	2.1
310.12115	2.0
311.12836	17.0
313.16534	3.5
328.13177	3.2
329.13895	3.7
341.13940	90.1
342.14240	12.2
343.15341	3.6
455.11151	2.1
455.50336	1.6
463.05487	1.6
463.25641	2.8
505.21066	25.5
505.28726	5.3
505.30261	5.5
506.20544	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	505.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41738	0.9
59.00465	0.8
59.01252	7.4
69.03339	2.0
71.01258	6.7
71.07201	2.6
73.02805	1.5
83.01290	0.9
85.02819	2.9
89.02301	1.9
101.02303	2.4
107.74895	0.9
113.02297	3.0
117.03337	1.3
121.02847	1.0
132.02063	22.5
133.02930	4.6
134.03639	29.1
135.04358	2.0
136.07527	1.0
137.02330	1.3
147.04417	2.0
148.05214	1.8
149.05980	6.0
160.01575	100.0
161.01950	4.2
167.10748	1.9
173.06044	2.1
175.03928	94.2
176.04527	9.0
177.01865	1.0
177.05309	1.0
178.02643	2.7
179.03238	1.1
191.07072	12.7
192.04131	1.1
193.04999	47.4
194.05351	1.5
207.06538	6.2
217.04944	2.5
220.03798	1.9
235.06093	56.8
236.06383	3.0
265.07129	13.9
266.07492	1.7
295.08240	25.8
296.08395	1.6
337.09302	12.1
338.09799	1.3
355.10162	1.3
402.34741	0.9
505.20831	21.3
505.33005	1.2
506.20697	2.9
521.38232	1.0
526.90631	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2081
Annotation	Aviculin
Peak:m/z	Relative Intensity
57.12149	0.5
58.00462	1.5
58.59330	0.5
59.01252	31.4
69.00983	0.5
69.03323	0.9
69.89397	3.1
71.01254	7.7
72.99162	1.3
73.02824	3.8
79.60881	0.5
85.02823	4.6
87.00751	1.0
89.02330	3.2
89.74593	0.5
91.01783	0.7
95.64530	0.6
98.19844	1.4
101.02351	2.9
103.03896	2.4
103.94343	0.6
106.28673	0.5
108.02047	1.8
109.02832	8.6
112.82375	0.5
119.03400	0.9
123.04391	2.9
125.02299	0.8
150.49771	0.6
159.04398	4.1
167.32849	0.6
171.04424	0.8
172.05219	4.4
173.06023	5.1
187.07556	2.9
189.05476	1.9
190.06288	0.9
191.07065	1.6
202.06311	0.8
203.07146	1.1
205.08611	0.7
209.06055	0.6
213.05493	1.0
217.08763	0.5
240.04364	1.5
241.05025	6.6
253.05090	2.1
255.06587	2.4
256.07297	0.7
263.07135	0.9
267.06665	3.6
267.09598	0.5
268.07373	2.0
269.08127	0.9
274.12360	0.6
279.06525	1.2
280.07495	2.1
281.08224	4.6
283.09750	2.9
295.09738	6.2
296.10513	2.1
298.08386	1.5
299.09271	3.9
309.11362	0.8
310.08554	0.7
311.09274	8.0
311.12625	0.8
312.09976	0.8
313.10818	9.6
314.11032	0.8
325.10776	1.3
326.11551	6.0
327.12192	2.0
329.10187	2.2
341.13940	11.6
342.14304	1.1
343.11685	0.7
344.12616	12.3
345.13107	1.6
359.14969	25.7
360.15271	3.2
475.16058	1.5
490.18185	0.9
505.20804	100.0
506.21170	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	505.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.5
57.40163	0.3
59.01246	2.5
68.41846	0.3
71.04887	0.5
71.56425	0.3
85.06461	0.5
87.04389	1.8
97.06474	0.6
101.05937	0.6
111.08039	0.7
119.39555	0.3
121.02848	100.0
122.03181	3.6
123.07954	0.4
126.95177	0.3
139.43896	0.3
165.94751	0.3
171.16563	0.3
180.05701	0.7
181.06490	2.7
187.11418	0.3
193.15756	0.3
197.06046	2.8
207.04498	1.4
223.03964	0.5
225.05495	2.2
234.63324	0.3
251.07069	0.6
257.09781	0.7
265.44510	0.3
275.20059	0.3
285.09262	0.4
301.08823	0.4
313.07175	5.1
343.26318	0.3
357.06244	1.2
373.10699	0.9
373.27615	0.4
383.07703	1.0
389.30646	0.3
404.32629	0.6
415.28757	0.4
417.09784	9.1
418.10190	1.2
443.31549	0.7
445.33011	0.4
461.12146	0.4
461.32846	1.3
487.31088	0.9
504.34583	3.1
505.11533	4.9
505.31897	7.8
506.11829	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02379	1.8
55.01743	4.8
57.03313	7.3
58.00457	3.4
59.01254	62.7
64.75019	1.7
67.01738	2.0
69.03301	2.7
69.34389	14.4
69.34805	3.5
71.01257	100.0
71.04409	1.6
72.99178	6.0
73.02438	2.6
73.02815	29.7
75.00729	2.8
78.52088	1.5
83.01254	14.3
85.02825	49.9
85.03350	3.1
87.00742	6.0
89.02317	34.5
93.03333	1.8
95.01244	11.9
97.02824	2.3
99.00751	19.2
100.48621	1.7
101.02324	71.9
107.01250	1.9
107.04894	1.7
109.02831	2.1
111.00735	3.4
113.02329	47.5
119.03384	22.5
123.00779	4.0
125.02357	9.5
131.03384	4.8
135.04402	4.0
137.02312	2.6
141.01814	2.6
143.03418	4.8
145.02927	1.8
149.04477	2.2
159.02873	7.4
159.04323	2.3
160.01660	1.8
161.02367	3.4
161.04460	34.4
161.05983	36.6
162.06235	1.8
168.00424	2.7
169.01378	10.4
172.10361	1.6
175.03888	3.3
179.03412	3.3
179.05473	5.7
200.00879	2.2
205.03510	3.8
209.11784	4.6
248.23157	1.6
281.15466	10.4
282.10672	1.8
283.42322	1.8
289.03476	1.7
295.67123	1.9
299.16516	66.5
300.16846	5.4
300.99857	2.8
313.05591	2.2
313.16522	6.6
343.11804	3.4
389.25293	2.2
401.19705	2.2
445.20352	3.5
461.21759	18.3
462.21811	2.5
478.02390	1.8
505.20746	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	505.099
Annotation	4-O-Galloylchlorogenic acid
Peak:m/z	Relative Intensity
51.20350	0.4
59.01254	6.8
67.01774	1.5
69.03317	1.4
69.59100	1.0
69.59514	2.5
71.01244	4.1
71.73508	0.4
72.99185	0.5
73.02816	1.0
75.91573	0.5
81.03368	0.8
83.01250	1.2
83.04903	1.5
84.18077	0.5
85.02810	2.7
87.00760	1.3
89.02319	1.5
93.03333	10.4
93.37467	0.4
95.01276	1.2
97.02828	1.2
97.10773	0.5
99.04453	0.9
101.02328	1.8
102.01854	0.5
103.03915	0.7
107.01270	5.8
108.02073	5.4
109.02842	0.8
111.00766	1.0
111.04400	6.8
113.02319	1.3
119.03398	0.8
123.00771	1.1
124.01532	0.5
125.02337	53.6
126.02723	1.6
127.03905	1.4
133.02850	3.4
134.03639	1.1
135.04420	16.3
136.04753	0.6
137.02342	5.1
138.01871	60.1
139.00282	0.8
143.03412	0.9
155.03400	10.0
156.03716	0.7
161.02353	9.9
162.02670	0.7
163.06070	1.4
166.99818	0.5
168.00435	0.8
169.01341	100.0
170.01675	4.4
173.04474	26.2
174.04814	1.1
177.01834	0.5
179.03419	13.1
180.03732	0.6
191.05542	28.0
192.05894	1.3
193.01340	0.8
201.05537	0.9
205.07057	0.9
209.08032	0.8
211.02380	0.8
245.04550	0.7
254.20264	0.5
257.69034	0.5
270.98639	0.5
299.11282	0.7
300.99911	2.1
307.04532	1.2
312.93747	0.6
325.02206	0.4
325.05661	8.6
326.06375	0.6
335.07703	6.8
343.06696	44.7
344.07053	3.1
353.08755	9.1
354.09039	0.5
445.17102	1.7
487.09055	1.1
505.09857	37.8
506.10431	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.7
71.20915	0.2
71.21249	0.1
71.41570	0.1
78.95776	22.0
87.04364	0.5
96.96843	0.3
104.97284	0.1
122.98418	0.2
134.98410	0.1
152.99489	4.5
168.04230	3.2
171.00552	0.2
194.05846	0.2
224.06883	9.6
225.07191	0.4
227.03209	0.4
242.07977	2.3
245.04305	0.2
261.22226	0.4
277.21725	5.9
279.23276	100.0
280.23621	9.8
415.22498	0.1
416.29056	0.3
504.30850	18.1
505.25500	3.0
505.31561	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	504.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19773	0.2
52.43914	0.2
53.09969	0.2
59.01254	0.8
67.26679	0.2
71.57720	0.4
71.58105	0.3
83.01271	0.3
85.06419	0.3
89.02319	0.4
96.95882	0.3
116.04946	3.4
123.00745	0.3
125.02332	1.1
132.04463	0.3
135.19453	0.2
137.99683	0.2
139.67644	0.2
151.00336	0.3
153.09924	0.2
153.11711	0.2
159.03177	0.6
160.03951	100.0
161.04289	4.6
169.01353	1.7
170.01704	0.6
174.01962	0.3
201.01878	0.2
202.05125	0.3
204.02963	4.7
205.03297	0.3
210.12668	0.2
286.88913	0.2
299.01971	0.3
300.02335	0.2
300.99973	0.3
301.03067	0.3
358.02951	0.3
366.08347	0.8
373.43823	0.2
416.82745	0.2
504.15103	10.9
505.03149	0.5
505.15280	1.8
529.73718	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37845	0.6
55.01760	6.1
57.03330	4.3
57.36995	0.6
58.00459	1.4
58.53723	0.6
59.01256	30.2
61.20628	0.7
69.42346	6.0
71.01257	53.6
72.99188	3.1
73.02824	23.1
73.03237	0.9
75.00748	1.5
83.01252	11.9
85.02824	33.0
85.99973	1.5
87.00751	3.4
89.02324	4.3
90.54832	0.7
95.01279	3.6
97.02822	1.4
99.00758	7.8
101.02328	50.8
102.02640	0.7
111.00770	9.2
113.02335	21.4
114.02628	1.3
119.03440	0.9
121.10129	0.8
125.02362	1.7
126.80944	0.6
129.01813	2.0
131.03419	0.7
143.03366	1.9
149.13297	0.6
159.02913	7.1
161.04468	14.2
171.13876	1.2
183.13838	1.0
281.24872	2.1
293.24692	1.1
302.29123	0.7
305.24875	2.6
311.26004	1.9
341.26950	13.5
342.27347	1.6
391.23755	0.8
413.25214	0.8
467.30005	5.8
468.30612	0.9
473.31091	2.0
485.31473	1.8
501.30792	0.8
503.32288	100.0
504.19980	0.7
504.32608	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	504.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28426	1.2
52.71282	1.2
59.01249	9.0
62.24234	1.4
63.02254	3.2
65.00189	4.2
65.99718	4.8
69.25395	8.6
69.25822	6.7
71.01254	6.1
73.02809	1.8
83.01256	3.9
85.02838	2.6
89.02322	1.9
90.03411	1.4
93.03339	11.0
95.01276	2.7
99.00739	2.1
101.02341	3.5
107.01276	7.1
108.02106	2.3
109.02850	6.8
111.00774	3.0
113.02335	2.2
117.03307	2.9
118.02902	2.6
121.02829	7.7
122.02365	1.5
122.03616	4.5
122.13648	1.5
123.00797	7.3
123.04390	3.9
124.01561	2.6
125.02325	5.9
126.22695	1.4
132.02071	12.1
133.02831	4.3
134.02365	9.0
134.03612	4.6
135.00789	2.7
135.04434	1.5
137.02351	23.2
139.00246	3.3
146.02347	3.6
149.02344	6.9
151.00279	29.4
151.03877	5.1
152.01007	2.9
158.02432	1.6
159.04396	2.7
160.01591	24.1
160.03859	2.1
161.02344	4.6
162.01889	27.0
162.03188	2.5
163.00331	8.5
163.03908	2.1
164.03452	26.8
165.03699	1.6
166.99809	2.2
169.01337	6.0
171.53630	1.4
172.03987	1.8
175.03925	29.0
176.01151	2.3
177.01863	29.5
178.02274	2.2
178.99805	11.4
183.04396	3.8
185.06085	1.4
186.01889	8.7
190.01431	7.7
192.00587	2.8
193.01135	2.3
193.04961	3.4
195.13867	1.6
199.03952	2.5
201.05453	2.3
202.99800	2.6
203.02127	4.2
204.02974	24.9
211.03928	5.2
215.03416	2.5
217.04887	2.1
225.05540	2.3
226.02664	1.5
227.03424	12.7
229.05029	6.2
230.00926	4.5
231.01617	1.5
239.03490	2.7
243.03029	3.7
244.03365	1.7
250.05203	2.4
253.04935	2.9
255.02982	27.2
256.03592	5.5
257.04462	4.8
259.02548	1.7
266.04541	4.2
267.02942	2.7
268.03595	2.6
269.04590	7.1
270.04208	4.6
271.02383	10.1
272.03232	6.9
273.04019	4.1
278.04709	3.5
279.02930	11.9
279.05545	2.1
280.03421	1.9
280.06247	1.8
283.02429	14.8
284.03088	10.5
284.05829	2.2
285.03818	2.9
294.04102	3.9
295.04831	4.4
295.08212	4.2
296.02905	1.9
297.04092	9.5
299.04492	3.6
300.02615	12.8
301.03461	33.6
302.03873	2.8
305.03198	3.4
306.04089	22.2
307.04416	1.7
313.09241	2.5
314.04178	2.0
323.04333	29.0
323.07843	3.1
324.01297	3.1
324.05124	61.1
325.05505	5.1
337.09286	4.0
339.07120	6.7
341.05392	26.2
342.06265	11.2
343.06540	2.9
366.08066	3.0
384.09332	17.5
410.07370	3.7
423.85162	1.7
437.10568	2.4
446.08649	4.5
447.08981	3.4
461.14618	22.5
463.08783	21.0
486.10440	23.2
487.10748	2.6
504.11490	100.0
505.11932	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	502.294
Annotation	Phomopsichalasin
Peak:m/z	Relative Intensity
51.13272	0.1
59.01250	1.0
62.96267	0.2
65.24590	0.2
69.32131	0.2
71.01258	0.4
78.95777	27.6
82.85889	0.1
83.04938	0.2
96.96827	0.5
97.06476	0.2
120.49866	0.2
122.98388	0.3
127.07539	0.2
134.98402	0.2
135.29579	0.2
152.99486	3.4
168.04233	3.9
168.05653	0.2
171.00635	0.2
194.05756	0.2
205.19539	0.2
224.06885	11.3
225.07144	0.4
231.21289	0.3
233.22746	0.4
242.07964	3.1
245.04294	0.6
259.20633	0.6
275.20154	0.6
277.21716	100.0
278.22058	8.8
290.50708	0.2
364.11551	0.2
413.20972	0.2
425.30865	0.2
441.33893	0.2
459.34592	0.2
502.29358	20.8
503.29874	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	503.1621
Annotation	Gentianose
Peak:m/z	Relative Intensity
57.03313	3.1
59.01252	19.3
60.99169	2.3
61.34628	2.2
69.03321	7.3
71.01259	22.8
72.99185	2.2
73.02847	2.5
80.73908	1.9
81.03331	41.1
83.65580	2.3
85.02824	13.3
87.00745	3.1
89.02313	15.3
93.03319	5.4
99.04399	7.6
101.02306	15.0
109.02837	2.8
113.02361	12.8
117.05467	14.5
119.03375	3.9
125.02310	4.1
143.03412	2.3
151.25519	2.0
161.04468	70.1
163.04008	2.7
163.06024	2.6
179.05591	6.3
191.05548	100.0
192.05925	7.7
193.06036	4.5
218.21466	2.1
229.65553	2.4
239.81007	1.8
249.04044	2.4
250.24559	1.8
258.24551	2.3
293.27802	2.1
295.70886	1.9
332.35028	1.9
341.11081	2.4
357.16904	2.1
492.85132	2.1
503.16135	10.0
504.16727	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.2
57.03321	1.7
58.00473	2.5
59.01253	100.0
60.01575	1.1
61.98711	3.7
71.01256	42.5
71.04893	0.8
71.37954	0.8
71.38290	1.0
72.01630	1.1
72.99190	3.1
73.02834	4.6
75.00742	1.2
78.95818	2.0
83.01284	2.5
85.02827	10.5
87.00760	2.9
87.04394	0.7
89.02320	44.5
90.02678	0.8
93.12859	0.8
95.01283	2.5
96.95913	1.1
99.00772	2.3
101.02328	24.5
109.06502	1.0
113.02338	18.1
115.70659	0.7
119.03394	18.1
125.02350	2.4
131.03436	1.9
143.03439	3.0
143.04497	1.3
149.04448	1.8
159.02902	1.0
161.04474	7.5
163.04155	0.7
169.01393	1.7
179.05559	8.5
207.21277	0.6
209.06013	12.9
209.11876	2.9
210.06557	1.2
235.08330	0.8
271.99783	1.1
273.00488	2.0
281.17767	0.8
311.33276	0.7
341.27158	2.4
371.07950	1.4
462.88354	0.8
503.12408	1.6
503.19699	1.6
503.33289	15.6
504.33606	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	502.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.2
57.03315	1.5
58.00468	1.1
59.01251	31.3
60.01563	0.7
61.98701	1.7
66.30312	0.6
69.03320	0.6
71.01254	26.2
71.15972	0.9
72.01591	0.8
72.99171	2.9
73.02820	4.4
76.98540	0.6
81.03328	2.9
83.01242	2.7
83.04897	12.8
85.02825	9.1
85.03303	1.0
87.00769	2.5
88.56419	0.6
89.02316	14.0
95.01273	2.4
97.02843	0.5
99.00755	1.6
101.02323	16.2
102.02674	0.8
107.01288	1.5
109.06409	0.9
111.00777	0.8
113.02328	9.6
114.02676	0.6
115.07541	1.9
117.03349	3.4
118.03680	1.3
119.03416	5.4
119.04875	1.0
120.05244	1.0
123.00769	2.9
125.02325	5.7
126.02720	0.7
127.03897	0.6
132.02092	0.9
133.02411	0.9
134.03667	1.2
137.09651	1.0
139.00314	0.9
139.07553	21.0
139.08644	1.1
139.11160	1.0
140.01074	1.1
140.07924	0.9
140.10667	1.3
143.03352	0.9
145.02849	11.1
146.03204	6.6
149.06024	0.7
151.00244	1.5
156.10194	2.7
157.08621	1.3
158.11780	6.4
159.02904	0.9
160.01567	4.7
161.02013	2.3
161.04500	2.1
161.05988	0.5
161.34645	0.6
162.12677	0.7
163.03946	2.1
164.04311	0.8
164.10713	0.9
164.22322	0.6
165.63669	0.6
168.00546	1.0
169.01337	6.0
170.01668	0.8
175.03934	4.8
176.04254	2.6
180.13867	2.0
181.12271	12.0
183.10234	2.2
187.11258	0.6
188.11592	0.6
191.05501	2.7
191.34933	0.5
192.40579	0.6
193.05016	2.2
194.05389	1.3
199.13344	1.1
202.02660	1.1
206.11821	2.2
224.12842	6.8
235.06252	0.7
247.02406	0.7
252.11705	0.6
265.07303	0.9
266.07660	0.6
299.99133	0.6
300.99908	1.1
307.08502	0.6
308.08585	1.8
308.68289	0.6
320.17093	1.8
329.14041	1.0
337.09326	0.6
404.19275	10.6
405.19614	1.7
467.26053	0.6
475.89185	0.6
484.25485	2.9
502.26605	100.0
503.09164	0.9
503.21112	8.4
503.27094	14.2
525.77240	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83533	0.5
55.01748	2.3
57.03326	3.1
58.00455	1.1
59.01254	31.2
61.98714	3.0
65.00201	0.6
67.01739	1.2
68.99695	1.6
69.03319	1.3
71.01256	33.6
71.35507	1.1
72.01566	0.8
72.99191	3.0
73.02822	9.6
75.00746	0.9
78.95747	1.1
79.01760	1.8
81.03300	1.2
83.01274	4.7
83.04914	1.1
85.02824	15.0
85.99958	0.7
87.00755	4.2
89.02322	10.7
95.01270	6.2
95.04924	0.7
96.95871	1.0
97.02818	2.6
97.06469	1.2
99.00788	4.2
101.02329	22.2
101.02998	1.1
102.02673	1.1
107.01266	8.6
107.04902	1.5
108.01559	0.6
109.06472	0.6
109.99947	0.6
111.00774	4.1
113.02334	13.8
119.03413	2.9
119.04931	0.6
120.05656	0.6
121.02773	0.8
123.00770	21.9
124.01566	1.3
125.02339	30.9
125.06005	0.7
126.02654	0.7
127.00286	1.2
128.03453	0.9
129.01825	0.9
131.03435	0.7
135.04402	0.7
136.98686	2.3
137.02345	0.7
139.00266	6.5
140.01070	6.0
141.01831	3.6
141.09042	1.3
143.03384	1.3
145.02834	4.1
151.00279	13.0
151.03934	1.2
152.00627	0.6
159.02899	3.1
161.04468	7.3
161.05711	1.1
161.09668	2.9
161.13287	2.0
163.03879	1.1
166.99768	0.7
168.00552	8.0
169.01341	41.0
170.01651	2.0
174.43745	0.6
175.03960	0.7
177.01868	0.9
179.03380	1.0
179.05577	0.6
187.11258	4.2
189.09169	2.8
202.02545	0.6
205.12292	2.0
206.99803	1.1
207.10245	1.0
209.11732	1.3
211.02417	5.3
214.01236	0.6
225.33913	0.6
247.02466	0.8
249.11363	0.8
251.11320	1.8
267.12363	1.1
271.04681	5.1
273.00424	1.6
279.19431	0.6
291.23126	0.7
297.06354	0.6
299.99017	0.7
300.99814	2.2
304.57361	0.6
307.22800	1.3
313.05569	3.1
337.09149	0.7
339.25302	2.8
487.85855	0.6
489.32358	0.7
501.19812	100.0
501.30701	40.3
502.19623	11.8
502.30457	3.2
522.11328	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70584	1.1
55.13412	1.0
62.35124	1.2
62.81234	1.3
69.39333	10.6
86.51629	1.2
107.01300	1.6
111.00765	1.6
119.74648	1.2
123.00784	3.2
125.02329	5.3
135.76474	1.2
137.02362	1.7
138.89844	1.2
139.00243	3.7
139.90736	1.3
140.01015	1.4
145.02797	1.6
163.00240	1.5
166.99818	4.0
169.01398	7.4
172.01492	1.9
182.99225	1.5
185.00854	1.2
187.00270	2.7
200.01074	2.5
201.01912	1.7
214.99734	1.5
216.00478	2.2
217.01341	2.0
228.00502	1.7
229.01335	1.6
242.99345	10.8
244.00014	2.2
245.00862	1.7
255.99841	1.5
257.00867	3.0
270.98843	42.1
271.99390	4.8
273.00415	2.3
283.99664	7.6
285.00201	3.2
297.00525	1.4
298.01102	6.0
298.98337	50.4
299.99100	74.3
300.99832	41.5
302.00079	1.7
311.99048	3.4
312.99918	25.3
314.00345	3.0
316.99310	2.5
323.00607	2.4
324.01596	5.1
327.01419	3.0
328.99390	11.6
329.99701	1.7
339.00165	29.2
340.00879	6.1
356.98761	2.3
445.04135	6.9
457.20660	1.4
462.04404	100.0
463.04694	11.8
502.06207	38.8
502.18860	1.2
503.06903	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51085	0.3
55.01742	0.7
57.03317	0.8
58.00463	0.4
59.01254	8.4
65.00189	0.5
67.01763	1.2
68.99671	0.9
69.03310	0.5
70.72216	0.4
71.01254	7.1
71.58360	0.5
72.99173	1.0
73.02827	1.7
79.01746	1.1
81.03326	0.5
83.01244	1.8
85.02827	3.2
87.00745	1.3
89.02303	1.8
95.01254	2.6
97.02827	1.0
99.00755	0.9
101.02328	3.9
107.01270	6.7
109.99954	0.6
111.00761	3.2
113.02326	3.6
118.97913	0.4
119.03367	0.8
123.00769	16.6
123.01672	0.8
124.01546	1.3
125.02337	26.1
126.02671	1.1
127.00246	1.0
136.98697	1.5
137.02333	0.5
139.00272	5.0
140.01079	4.0
141.01839	2.1
141.09108	1.1
145.02823	0.9
151.00269	11.5
152.00627	0.4
153.01802	0.9
159.02890	0.5
161.04433	0.6
161.09599	1.0
161.13301	0.4
161.33031	0.4
163.00267	0.3
163.03879	0.7
166.99815	0.5
168.00555	5.7
169.01337	33.2
170.01683	1.6
174.98940	0.4
187.11195	0.8
189.09050	0.7
191.03342	0.5
201.01837	0.4
211.02402	5.4
217.01407	0.6
229.01274	0.5
245.00841	0.6
247.02469	0.7
249.11401	0.6
251.11380	0.6
253.03580	0.6
261.39355	0.4
267.12277	0.5
271.04623	5.3
273.00275	0.6
297.06235	0.6
299.99182	0.7
300.99738	1.7
302.00464	0.4
313.05655	3.2
331.06918	0.5
401.10901	0.5
501.19711	100.0
502.20038	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	501.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.0
59.01248	12.9
65.00195	1.0
67.01750	2.3
69.03336	1.4
71.01250	8.5
71.57459	1.0
72.99188	2.0
73.02818	2.0
78.92909	0.9
79.01769	3.3
80.29153	0.9
83.01258	1.9
85.02827	2.9
87.00776	1.4
89.02311	3.3
95.01288	6.2
97.02824	1.6
99.00741	1.7
100.40618	0.9
101.02316	6.8
107.01276	13.1
109.02842	1.0
111.00761	6.1
113.02319	2.9
123.00773	33.0
124.01519	3.6
125.02342	51.6
126.02659	1.3
127.00278	1.7
136.98706	4.0
137.02354	1.6
139.00259	10.8
140.01065	7.1
141.01813	4.4
145.18167	1.0
151.00276	20.2
153.01859	1.0
160.03920	4.8
160.59143	1.1
163.03860	1.0
165.01743	1.5
166.99748	1.4
167.03432	2.0
168.00552	13.0
169.01338	66.7
170.01653	2.9
179.03313	1.0
180.41534	1.0
181.04945	1.0
203.03502	1.6
211.02425	39.9
212.02795	2.2
225.05658	0.9
241.03511	1.2
271.04614	65.5
272.04959	3.3
299.01956	4.4
300.99838	2.3
301.03439	1.3
313.05551	1.5
322.03595	1.0
331.06577	8.1
339.03735	1.3
340.04669	1.1
429.13977	1.8
457.17148	42.7
458.17529	4.6
483.18759	12.0
484.19345	1.1
501.19781	100.0
502.10092	2.9
502.20071	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	501.146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35070	0.7
57.03331	0.9
59.01251	2.0
61.73452	0.7
71.01239	1.6
71.56695	1.4
81.56130	0.8
85.02831	13.7
87.00762	2.6
93.03329	6.2
101.02309	1.4
109.02850	1.2
111.04380	1.5
125.02355	0.9
127.03898	3.2
133.19737	0.8
141.42627	0.8
171.02878	1.4
173.04443	2.5
191.05544	100.0
192.05907	4.6
193.01239	1.3
203.03476	0.9
249.69441	0.8
337.02405	1.0
389.69250	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3065
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
56.92081	0.7
59.01271	3.6
69.99656	3.2
73.02801	0.7
73.49870	0.7
76.27678	0.7
83.04863	0.7
94.25253	0.7
96.95889	1.1
97.06456	1.4
98.13181	0.6
125.75462	0.7
159.49405	0.7
182.61423	0.6
183.01326	0.6
187.11249	3.1
189.12781	10.1
205.15923	33.0
206.16266	2.0
231.13814	1.3
247.13290	0.7
249.14868	5.2
250.15077	0.7
251.16556	1.6
254.86981	0.7
277.21732	2.1
395.29636	3.8
411.32852	5.5
412.33362	0.8
437.30734	1.0
455.31815	8.9
456.31836	1.5
481.29758	1.0
499.30661	100.0
500.30960	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	500.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.3
59.01247	15.6
65.00193	2.0
67.01749	1.8
69.03321	3.8
71.01259	14.1
71.58150	1.8
72.99155	1.3
73.02813	2.7
79.01750	1.8
83.01266	2.8
85.02807	3.3
89.02310	8.3
95.01258	13.4
97.02855	2.7
99.00731	1.4
101.02319	8.4
102.02687	1.2
107.01277	24.0
109.02804	2.0
111.00761	3.7
113.02313	3.8
117.03318	2.9
119.03447	1.3
119.04878	2.5
121.02819	1.4
123.00772	30.0
124.01041	1.9
124.01617	1.5
125.02341	77.1
126.02655	3.1
127.00258	1.7
128.00603	1.3
130.31204	1.1
131.01276	1.3
133.02876	3.0
135.04327	2.1
137.02383	2.5
139.00281	6.3
140.01054	2.1
141.01805	3.0
143.01303	1.2
145.02831	6.3
147.04446	1.6
149.02351	2.3
151.00327	5.7
159.04422	1.8
160.01532	1.7
161.02399	6.7
163.00272	3.9
163.03894	4.0
165.01886	1.6
166.99763	12.2
167.10722	3.2
168.00560	5.9
169.01344	100.0
170.01707	6.5
171.00821	1.5
173.02365	4.4
174.03134	1.1
175.03906	2.0
176.01036	1.1
177.01854	3.8
178.99681	1.6
179.03346	1.6
183.02895	2.1
187.00285	2.8
189.01878	8.3
190.02541	2.7
190.99788	1.4
191.03415	7.1
194.99243	1.4
198.03136	1.1
201.01846	6.3
202.02583	1.6
203.03423	2.7
205.01408	1.7
205.12224	1.2
209.00902	2.0
211.02373	3.2
212.02707	1.3
214.99748	3.9
216.00510	3.2
217.01360	8.6
218.01974	2.5
219.02930	3.5
227.03517	1.9
229.01447	6.0
231.02931	2.2
233.00838	1.7
235.02451	2.3
242.99321	3.2
244.00092	1.3
245.00870	8.0
247.02461	4.4
251.06972	1.3
257.00946	2.5
259.02469	1.3
261.00357	4.1
263.01846	1.5
267.02869	2.1
270.98849	4.2
271.04706	1.9
271.09436	1.1
272.04999	1.4
273.00415	5.8
274.00836	1.4
275.01889	5.5
281.04633	1.5
289.07233	2.4
295.05832	1.3
297.07727	3.8
297.98096	1.4
298.98309	3.4
299.09103	1.3
299.99039	3.6
300.99893	20.0
302.00293	2.7
307.05704	1.3
316.99295	1.5
323.05606	4.0
325.07230	3.5
339.54834	1.2
341.06506	2.2
343.08179	1.5
347.17102	7.0
348.17456	8.5
351.05045	3.2
369.06128	3.2
410.03751	5.1
410.53683	2.0
416.03604	1.3
424.03738	3.3
424.53845	1.5
438.03223	1.9
449.06158	2.6
463.05991	2.1
477.05746	2.1
482.17517	2.8
499.18158	22.0
500.18503	51.9
501.20029	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	499.292
Annotation	Tricalysioside T
Peak:m/z	Relative Intensity
55.01770	5.2
57.03325	5.3
58.00460	1.0
59.01257	33.2
61.95626	0.8
61.98689	3.3
61.98980	0.8
68.99677	0.8
69.03305	1.3
71.01256	80.9
72.01598	1.3
72.99170	2.0
73.02822	26.4
75.00734	1.7
75.43832	0.8
81.03286	0.8
83.01263	10.6
83.04890	1.3
84.02032	0.7
85.02824	38.2
87.00759	4.2
89.02318	11.0
93.03331	0.7
95.01256	8.0
97.02819	2.6
97.06495	1.2
99.00764	10.4
101.02325	57.1
102.02657	1.5
102.98512	0.7
107.01299	1.6
107.04925	0.8
111.00742	2.8
113.02333	31.0
114.02681	0.9
119.03381	3.0
123.00741	4.8
125.02355	9.1
126.02607	0.9
129.01801	2.2
131.03355	3.0
135.04420	0.9
139.00230	1.8
140.01041	1.0
141.01773	0.9
143.03365	2.5
151.00233	2.1
151.07608	1.1
155.07018	0.9
159.02914	7.6
161.04475	33.3
161.09637	1.2
162.04813	1.2
166.99800	1.0
168.00542	2.2
169.01341	8.7
179.05473	0.8
179.10695	1.8
205.03435	1.8
205.12135	1.1
211.02327	1.6
222.01984	0.8
233.99379	0.8
249.01511	2.0
271.04520	1.5
293.08807	1.3
299.99200	1.0
300.99948	4.3
319.22775	2.8
337.23746	8.1
347.16351	1.1
381.22794	3.9
392.10443	0.8
397.09534	1.6
435.46695	0.8
443.53812	0.8
455.19177	1.1
499.12128	2.7
499.21738	13.2
499.29019	100.0
500.21924	2.9
500.29395	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	499.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73635	0.6
55.01741	1.4
57.03316	0.7
58.00448	1.1
59.01254	26.6
61.98691	2.4
65.00204	1.0
67.01767	1.4
69.03311	1.0
71.01257	24.5
71.58044	0.6
71.58427	0.8
72.99181	1.8
73.02826	4.5
79.01762	1.9
81.03341	0.8
83.01263	3.0
85.02834	7.2
86.65763	0.5
87.00750	1.7
88.13252	0.6
89.02322	15.5
95.01266	6.2
96.34448	0.6
97.02829	1.9
99.00755	2.1
101.01694	1.2
101.02323	16.2
103.97743	0.6
107.01272	8.9
108.02033	1.9
109.02846	1.2
109.77853	0.6
111.00761	2.5
113.02338	9.0
119.03394	5.9
122.14304	0.6
123.00775	20.7
124.01509	0.8
125.02343	32.3
126.02646	1.3
127.00255	0.8
131.03400	1.2
133.02858	0.9
134.03615	1.4
135.04387	1.0
136.98721	1.3
137.02373	0.9
139.00270	5.9
140.01060	3.1
141.01842	3.3
143.03392	1.3
145.02820	1.7
151.00276	8.8
152.01068	1.3
153.01849	0.9
155.07072	1.3
159.02872	1.4
160.01608	0.8
161.02303	1.9
161.04454	5.8
163.00256	1.8
163.03908	1.0
165.01852	0.7
166.99796	6.0
167.10703	12.3
168.00543	4.6
169.01344	40.2
170.01648	1.3
173.02301	1.0
173.04529	0.6
173.06055	0.9
175.03877	1.7
175.07573	10.7
177.01817	1.6
179.03514	0.8
179.05582	1.7
183.02971	3.4
185.11783	1.8
187.00238	1.2
189.01836	2.2
190.02402	0.6
190.99812	0.8
191.03397	2.0
193.04971	1.8
201.01834	1.7
208.64557	0.7
211.02386	5.2
214.99657	0.7
216.00671	0.7
217.01399	1.9
219.02991	0.7
221.06583	0.7
229.01410	1.3
230.33139	0.6
235.06091	2.4
242.99359	1.0
245.00909	1.7
246.01857	0.7
247.02448	1.0
257.00729	0.9
270.98779	1.3
271.04663	4.8
273.00323	1.3
298.98080	1.0
299.99109	0.9
300.99954	4.9
323.05698	2.0
325.07205	0.7
329.05148	0.8
331.06567	0.8
347.17102	16.8
351.05127	2.6
356.63898	0.6
409.10257	1.8
424.03409	1.1
460.06085	0.7
471.18472	0.9
481.17282	3.9
499.18210	100.0
500.18570	12.5
515.47394	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.9
55.61116	1.1
59.01251	28.8
59.39418	1.3
65.00175	1.5
67.01791	1.9
67.03798	1.3
69.03319	3.2
69.52743	7.3
69.53144	2.4
71.01254	23.4
72.99174	4.0
73.02816	3.6
75.00748	1.6
75.58506	1.4
83.01243	3.9
85.02818	5.9
87.00760	2.9
89.02309	15.4
95.01260	5.7
98.19769	1.5
99.00694	1.5
101.02337	16.5
107.01265	4.6
109.02843	1.6
111.00771	10.7
113.02333	10.1
117.03322	1.9
119.03371	7.9
123.00763	16.3
123.04388	2.4
124.01568	32.7
125.02338	34.8
127.00275	3.3
132.02098	1.6
133.02805	1.5
134.03584	2.8
135.04471	1.6
136.98682	3.9
137.02342	3.0
139.00275	18.3
139.03900	2.1
140.01079	12.7
143.03343	1.6
145.02859	4.3
147.04291	1.3
147.86385	1.6
150.03108	1.3
151.00291	3.9
153.01810	1.9
154.99696	1.8
160.01607	8.1
161.02330	4.8
162.03065	1.5
163.00264	2.3
165.01802	2.2
166.99757	6.6
168.00558	100.0
169.01344	46.6
170.01784	2.4
173.02484	1.8
175.03915	11.0
176.04291	1.5
177.01837	2.4
177.04016	1.7
178.99780	1.6
179.03413	1.5
185.00838	3.1
188.04729	8.9
189.01825	3.1
190.02625	1.3
191.03439	2.7
192.00410	1.6
193.05002	3.6
194.91299	1.5
201.01820	1.6
201.05507	1.8
205.01295	4.7
207.85968	1.4
211.02437	4.4
214.99689	2.2
219.03004	2.0
221.00854	2.5
229.01395	2.7
231.14008	2.0
233.00874	2.4
234.01459	2.2
240.04167	1.9
245.00783	3.6
247.13412	3.5
249.04079	1.8
258.98654	2.1
261.00436	3.9
265.01376	1.6
267.02933	2.1
271.04575	2.3
273.00211	1.9
275.01755	1.6
275.12869	26.4
276.13135	2.1
277.03659	1.4
286.98398	1.9
291.12292	2.1
293.13898	4.8
297.00394	1.6
297.06305	2.8
298.01114	2.0
299.99054	2.4
300.99826	14.2
304.99384	1.8
305.02936	3.5
313.05579	2.6
313.10928	2.3
316.99268	6.4
319.11874	25.9
320.12100	1.9
323.01953	2.1
325.07141	3.3
337.09238	8.1
341.10059	2.5
348.99866	2.5
367.01273	2.1
378.00092	2.8
379.00616	2.5
383.11511	2.2
385.09073	7.9
409.04163	2.0
409.11185	3.0
437.01740	3.2
437.09045	1.3
455.03256	1.5
455.09625	4.1
455.19278	18.2
456.19214	1.7
471.19165	2.4
481.16177	1.5
499.01483	14.1
499.08798	16.6
499.18121	76.2
500.01883	1.9
500.09067	3.4
500.18784	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	499.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70564	1.9
59.01261	4.8
65.31018	1.9
67.01756	6.0
71.01260	5.4
71.56890	4.4
82.95303	3.3
83.01240	2.8
85.02824	3.8
95.01274	11.0
97.02826	4.2
98.10962	2.1
99.00755	3.1
101.02322	3.1
107.01273	5.4
111.00759	29.1
112.01089	2.3
117.01764	2.3
123.00780	28.6
125.02328	45.0
133.02878	2.4
139.00278	38.1
140.01064	19.0
141.01843	100.0
142.02161	4.0
148.26665	2.3
153.01852	2.4
163.00282	2.8
165.99001	3.9
166.99786	66.2
167.01204	3.5
167.03453	3.2
168.00456	6.7
169.01355	65.1
170.01688	4.3
177.01773	2.7
182.99261	4.3
183.99850	3.4
185.00839	21.3
189.01756	2.3
191.03380	2.7
211.02417	22.4
233.55472	2.2
247.02679	2.0
271.04611	73.5
272.05136	2.5
273.00354	2.3
300.99817	5.4
303.07233	42.2
304.07773	3.0
313.05603	13.9
316.99326	3.2
331.06686	27.7
337.07660	7.8
347.05701	4.5
372.18396	2.5
385.08969	5.3
444.61115	2.1
455.01987	2.1
455.08337	42.5
456.08707	5.7
499.07101	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	499.1827
Annotation	Rolapitant
Peak:m/z	Relative Intensity
58.00492	0.9
59.01247	20.3
61.98378	1.2
67.01775	1.9
69.03305	1.9
69.49532	8.0
71.01254	13.9
72.99184	1.7
73.02824	2.4
79.01760	1.5
81.05792	0.9
85.02837	3.0
87.00742	1.4
89.02324	9.3
95.01250	7.8
97.02852	1.9
99.00699	1.0
101.02321	9.5
107.01274	8.6
111.00762	3.9
113.02323	6.4
117.03336	2.4
119.03403	4.1
123.00777	19.1
124.01591	1.1
125.02341	30.9
127.00304	1.2
133.02876	3.9
134.03635	16.6
134.61996	1.0
135.04436	2.4
136.01521	1.4
136.98706	2.0
137.02269	1.0
139.00250	7.8
140.01041	2.3
141.01831	2.0
145.02884	1.4
147.04472	5.5
148.05217	2.7
149.05981	3.9
151.00288	7.4
151.03851	1.1
158.03658	1.3
160.01537	5.0
161.02333	3.2
161.04356	1.1
162.30991	1.0
163.03928	2.1
166.99774	11.0
167.10703	7.5
168.00507	3.5
169.01337	37.0
170.01631	1.0
173.02376	1.9
175.03906	8.1
176.04683	8.8
177.01860	3.3
177.05298	1.3
178.02422	1.5
183.02919	8.8
185.00847	1.4
185.11800	1.5
189.01857	1.6
191.03484	1.7
191.07065	12.3
192.04199	1.5
193.04987	22.6
201.01836	2.0
207.06580	5.2
211.02420	4.0
214.99759	1.4
217.01309	2.7
220.03726	2.0
235.06082	31.8
236.06332	1.4
245.00885	1.8
257.03607	1.0
265.07175	4.4
271.04562	3.7
273.00455	1.3
281.08234	1.4
295.08203	5.2
297.07455	1.1
297.16037	1.0
299.99039	1.4
300.99835	4.3
309.17767	1.0
312.68546	0.9
321.67462	1.0
323.05548	1.1
323.13452	6.7
347.17075	14.9
351.05142	2.4
354.98901	1.1
424.03912	1.5
429.98264	1.1
469.10443	1.0
481.17114	4.4
499.18204	100.0
500.18497	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	499.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.9
62.11214	2.3
62.69827	2.7
67.01752	3.7
71.01241	2.9
81.57735	2.5
88.43144	2.8
91.94871	2.3
95.01263	11.7
96.95880	7.2
97.02847	2.5
107.01288	6.4
111.00764	20.0
113.02338	5.3
119.03409	2.6
123.00766	39.0
124.01502	2.7
124.53696	2.5
125.02336	50.7
137.02354	4.1
139.00273	40.2
140.01099	17.0
140.50192	2.5
141.01831	56.2
142.02176	3.5
148.09116	2.9
151.00359	3.0
163.00279	3.4
165.01840	4.3
165.99031	8.7
166.99782	71.2
167.01230	5.2
168.00499	9.0
169.01341	96.3
170.01706	4.5
184.00089	22.3
185.00818	25.2
189.01894	3.1
194.99355	7.0
211.02420	12.6
217.01477	2.8
229.68344	2.8
271.04633	42.0
271.07333	5.3
274.35251	2.5
275.01953	3.7
287.07626	4.4
300.99976	8.4
303.07245	34.5
313.05679	11.0
329.05115	10.6
331.06696	100.0
332.07138	9.9
341.10400	3.1
347.06161	12.0
385.09308	6.1
386.81183	2.8
428.61905	2.9
437.07224	10.7
455.08316	46.6
456.08655	5.8
481.06470	8.5
498.70026	3.8
499.07166	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71833	0.4
58.86008	0.3
59.01250	6.1
61.45225	0.3
61.46349	0.3
61.98714	2.2
71.01244	2.0
73.02828	0.9
81.78331	0.4
85.02839	1.0
87.00713	0.4
89.02330	1.3
101.02316	1.8
107.01302	0.5
108.02058	11.1
113.02338	0.9
119.03391	0.6
123.00759	1.0
125.02347	1.5
138.01874	100.0
139.00246	0.4
139.02208	3.0
151.00267	0.5
161.04462	0.7
162.41887	0.4
169.01343	1.6
267.10751	0.6
454.13998	0.4
497.27710	0.4
498.20685	0.8
499.22232	3.6
499.28738	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00180	10.6
57.10937	5.3
59.01258	21.8
65.00194	8.9
67.01774	12.8
68.57663	5.6
69.03348	9.1
71.01263	22.3
71.29858	4.9
80.99708	9.3
83.01285	16.1
85.02840	12.6
87.00790	12.1
88.35287	4.9
89.02320	10.7
95.01252	28.1
97.02869	6.8
99.00815	5.4
101.02328	11.7
107.01262	11.9
108.02055	74.4
109.02840	26.3
109.24957	6.1
111.00771	58.1
113.02331	15.0
119.03405	6.4
121.02895	8.2
123.00778	38.3
124.01586	23.5
124.98781	5.7
125.02370	58.6
127.00294	8.2
135.04448	5.6
136.98782	5.5
137.02362	7.7
139.00287	65.6
140.00905	5.7
141.01895	8.8
145.02840	10.7
147.04486	7.2
151.00301	6.9
152.01074	100.0
153.01842	38.4
154.99774	19.2
157.01248	5.8
161.02406	10.1
164.98241	9.8
165.01895	6.2
166.99774	77.9
168.00592	75.5
169.01329	63.6
173.02431	7.5
175.03874	11.4
177.01840	12.7
179.03432	7.7
182.99278	18.3
185.00850	13.9
190.02626	6.6
211.02502	15.2
219.02917	7.2
230.38287	6.2
233.00926	17.1
240.04375	7.2
242.02087	7.9
243.72720	5.7
262.03790	6.2
271.04587	49.6
275.12943	12.5
299.09033	6.6
300.99921	17.0
311.01813	8.6
313.10803	23.3
315.07285	48.2
316.99319	7.0
331.06747	71.4
332.07162	7.8
341.10303	22.9
367.08481	8.1
385.09357	75.9
386.09576	7.2
429.08130	19.6
437.07230	15.7
453.06732	11.5
455.09116	19.7
455.19315	21.4
456.19324	7.1
465.07040	10.0
481.06198	60.1
499.07565	63.0
499.17999	40.2
500.07971	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	497.2758
Annotation	Simplexin I
Peak:m/z	Relative Intensity
50.65050	0.5
58.00455	0.6
58.70148	0.5
59.01252	100.0
60.01582	0.7
61.98714	1.6
62.85968	0.5
71.01260	9.9
73.02828	0.9
82.74174	0.5
83.01273	0.8
85.02827	2.5
85.45189	0.4
89.02320	11.9
95.01291	0.5
96.95885	3.8
99.00774	0.5
101.02319	7.2
101.16908	0.5
113.02348	4.2
113.03096	0.7
119.03384	5.3
119.03973	0.5
131.03430	1.0
143.03450	0.8
149.04491	0.8
159.02934	0.6
161.04506	1.5
179.05533	3.2
278.17496	0.7
305.19785	1.1
437.24612	4.3
453.96127	0.6
497.27850	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2756
Annotation	beta-D-glucopyranosyl ent-16beta,17-dihydroxykauran-19-oate
Peak:m/z	Relative Intensity
53.43582	0.2
55.01752	0.3
56.23362	0.2
57.03295	0.3
57.10938	0.2
58.00447	0.3
58.74213	0.2
59.01251	4.9
60.01560	0.2
61.98702	1.6
68.78726	0.2
70.67725	0.5
70.68069	0.3
71.01254	3.6
73.02806	0.7
79.97058	0.2
83.01238	0.5
85.02825	1.8
89.02318	1.1
95.01241	0.4
99.00728	0.2
101.02322	2.2
102.44207	0.2
113.02335	1.1
117.70993	0.2
119.03403	0.3
125.02326	0.4
128.21220	0.2
131.03381	0.4
159.60907	0.2
160.01550	0.2
161.04427	0.5
169.01402	0.3
172.67311	0.2
190.56331	0.2
205.12215	0.7
220.09067	0.2
233.15500	0.3
234.16223	0.3
235.16878	0.5
275.20111	0.4
305.21408	3.9
317.21268	1.2
335.22275	100.0
336.22614	10.2
353.23151	0.4
365.19452	0.2
434.38452	0.2
437.23810	0.2
497.11682	0.4
497.27631	14.6
498.27921	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	497.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	4.8
57.03315	5.4
59.01253	97.7
61.98711	6.8
69.03328	1.4
71.01256	55.4
71.58181	1.4
72.99178	5.5
73.02824	21.9
75.00723	1.2
83.01262	17.2
85.02340	2.2
85.02825	27.1
87.00744	3.8
89.01766	1.2
89.02322	22.9
91.26300	1.2
91.54675	1.3
95.01250	3.5
97.02802	1.7
99.00750	7.9
101.02322	58.4
102.75516	1.3
103.03898	3.4
111.00785	2.0
111.59628	1.4
113.02335	23.5
119.03423	7.7
123.00784	1.6
125.02332	5.6
129.01819	2.2
131.03401	3.1
143.03450	3.0
149.04491	1.2
159.02887	3.5
160.01552	1.3
161.04463	13.2
169.01358	3.1
179.05565	3.4
193.04987	1.4
291.18152	99.4
292.18387	5.9
305.19800	2.1
335.22372	2.2
437.23920	100.0
438.24283	11.7
488.17422	1.7
497.11035	1.8
497.20114	2.2
497.27853	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	497.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67009	1.0
55.01753	2.2
57.03325	2.4
59.01251	69.2
60.01582	1.3
61.98701	5.8
71.00893	2.0
71.01255	27.8
72.54102	1.1
72.99166	2.0
73.02825	10.8
79.05396	1.2
80.21535	1.2
83.01255	8.6
85.02831	18.3
89.02312	5.4
95.01255	2.0
96.27830	1.2
99.00737	6.0
101.02322	33.4
113.02341	11.8
119.03408	1.7
125.02345	3.1
129.01886	1.4
131.03403	34.3
131.04399	2.0
136.45708	1.1
139.24854	1.3
159.02942	1.5
161.04457	12.2
161.85283	1.1
202.86429	1.2
276.75513	1.2
305.19693	100.0
306.19983	6.8
335.22339	3.4
400.08673	1.3
410.66617	1.4
437.23947	11.1
497.27673	11.4
498.28433	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	497.1665
Annotation	Cypellocarpin A
Peak:m/z	Relative Intensity
55.06929	0.6
59.01255	22.9
61.89679	0.6
63.11795	0.5
67.01751	2.4
69.03320	1.3
69.50808	5.4
70.17917	0.6
71.01258	12.9
72.99172	1.5
73.02822	0.9
75.00748	1.0
78.39890	0.6
79.01757	1.2
81.03345	0.6
83.01263	2.5
85.02832	4.4
87.00763	1.2
89.02316	10.7
92.23750	0.6
95.01266	4.7
97.02837	1.3
98.20541	1.3
98.44041	0.6
101.02319	10.5
107.01286	7.7
111.00779	4.5
113.02345	5.1
119.03401	5.7
121.10112	0.8
123.00774	19.4
124.01563	2.3
125.02341	31.5
127.00277	1.0
136.98729	1.3
137.02405	1.0
139.00241	7.9
140.01057	4.9
141.01852	3.7
143.03447	1.1
145.48885	0.7
151.00278	7.8
163.20375	0.7
165.01917	0.8
165.09108	3.9
166.99773	5.4
167.03368	1.3
168.00552	8.7
169.01341	33.6
170.01646	1.7
177.03961	1.7
183.10182	1.9
185.00929	1.1
208.27252	0.7
211.02440	23.4
212.02893	0.9
241.03337	0.7
271.04605	18.1
272.05255	0.8
275.59256	0.7
300.99927	2.9
313.05743	0.9
345.15536	32.1
346.15833	2.1
385.10498	0.7
479.15921	2.3
497.16711	100.0
498.16946	11.7
521.00842	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26382	1.9
59.01256	18.3
67.01747	1.8
69.56268	12.6
71.01259	11.2
72.99185	2.8
73.02808	2.0
75.00746	17.0
76.18507	1.8
80.04939	6.1
83.01257	3.2
85.02833	5.5
86.77670	2.2
87.00752	2.7
88.77346	1.7
89.02316	7.1
92.04920	4.3
94.02913	2.4
94.06500	13.2
95.01286	3.4
96.08075	4.2
97.01589	5.5
97.02757	2.2
97.76505	1.8
98.06033	2.0
99.00755	3.2
100.03886	1.9
101.02319	6.0
106.02855	4.0
106.06505	3.4
107.01283	6.9
108.04478	2.9
109.02834	2.7
109.05251	5.2
110.05980	2.1
111.00790	2.4
113.02334	4.3
119.03420	3.2
120.04456	20.9
121.05206	5.7
122.06014	35.6
123.00774	6.1
124.07573	42.0
125.02357	21.9
135.04437	3.3
136.03928	10.3
139.00323	4.6
140.01065	2.1
140.07091	3.2
145.12323	2.5
148.03954	83.1
148.07498	2.8
150.05508	18.1
152.07054	3.5
161.02341	4.2
163.00256	2.3
163.03908	2.3
165.01834	2.6
166.05008	10.8
166.99823	7.2
168.06557	20.8
169.01326	26.5
170.01749	3.1
172.30930	2.0
173.02325	2.2
175.03932	3.3
179.03490	3.3
183.05585	2.5
183.09221	2.4
185.00835	2.1
189.01865	3.0
194.04594	3.3
197.07123	8.0
198.07985	3.0
199.12373	2.9
200.09462	11.2
203.03429	2.7
209.00848	2.3
210.04103	4.1
211.08711	5.9
212.09425	12.4
213.06415	2.1
213.10263	4.9
215.11844	26.5
225.06660	29.5
225.10339	6.2
226.07375	5.5
226.11078	7.3
227.08405	2.0
227.11855	33.3
228.08932	2.5
228.12268	4.1
229.01315	2.6
231.11374	8.4
236.09311	1.9
239.08272	4.5
240.09003	40.3
241.09598	3.1
243.11368	17.5
245.12750	2.8
255.11380	69.9
256.11777	6.8
271.04657	2.5
271.10889	3.6
271.99536	2.3
272.11633	6.7
273.00537	4.2
273.12469	100.0
274.12711	7.7
275.02014	2.8
275.10385	5.2
287.10361	7.4
291.01395	2.7
291.13513	14.2
299.10388	22.0
300.99951	15.4
305.06552	2.9
316.10690	14.7
316.99585	4.2
317.11432	99.4
318.11768	9.4
319.00821	3.3
325.11722	2.3
333.83005	2.1
334.11688	5.1
335.12506	37.7
367.12927	2.3
437.15619	4.3
437.45212	2.1
449.15894	2.2
479.16714	54.8
480.17056	6.3
497.11209	3.5
497.18085	17.5
498.18185	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	497.1665
Annotation	Eucalmaidin B
Peak:m/z	Relative Intensity
53.26881	0.7
59.01000	0.6
59.01254	13.9
65.00182	0.7
67.01769	1.7
68.99721	0.7
69.27729	8.0
71.01248	7.7
72.99211	0.8
79.01762	0.8
82.11483	0.7
83.01260	1.5
85.02831	2.5
89.02326	6.5
95.01280	4.3
99.00774	0.8
101.02324	5.3
107.01264	5.0
110.00018	1.0
111.00790	5.2
113.02319	2.9
119.03387	2.9
121.10141	1.5
123.00773	9.5
124.01592	2.1
125.02338	34.1
126.02642	0.9
127.00256	1.3
136.98698	1.7
137.02380	0.8
139.00282	9.6
139.03914	1.0
140.01054	5.2
141.01791	1.4
151.00296	5.6
152.03357	1.0
155.07053	3.0
161.04375	0.8
165.05482	1.4
165.09132	2.9
166.99806	5.5
167.03424	2.7
168.00558	14.1
169.01350	47.3
170.01709	2.0
177.01859	1.1
179.05539	1.6
185.00851	1.0
190.48761	0.7
211.02432	64.2
212.02715	2.7
241.03510	2.2
259.76141	0.8
271.04593	100.0
272.04922	6.6
301.00146	0.7
313.05585	1.6
331.06683	8.5
332.06714	0.8
345.15485	2.3
352.11533	0.9
429.14203	0.7
453.17661	14.3
453.23456	1.4
454.17905	1.4
479.15494	1.2
497.16638	56.4
498.17261	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1302
Annotation	Sodium methotrexate
Peak:m/z	Relative Intensity
59.01262	2.9
63.46085	0.5
65.00186	0.8
67.01756	1.4
67.27470	0.4
69.03310	1.3
70.50369	0.5
71.01250	5.1
71.15123	1.2
72.99171	1.2
73.02807	0.6
79.01754	1.4
83.01235	1.5
85.02805	2.2
86.83669	0.5
87.00727	1.4
89.02285	0.5
93.03328	0.6
95.01266	2.7
96.95903	0.5
97.02810	1.8
99.00759	0.7
101.02322	2.5
107.01271	10.3
109.02827	0.6
109.99960	0.8
111.00776	6.1
113.02316	1.7
122.99915	1.0
123.00778	17.0
124.01550	1.9
125.02337	44.7
126.02669	1.6
127.00251	2.0
129.73430	0.5
136.98691	2.2
137.02296	1.0
137.99529	0.6
139.00273	10.4
139.03891	1.3
140.01060	7.3
141.01767	2.0
151.00272	8.7
151.03827	0.5
153.01839	22.0
153.03085	1.2
154.02591	3.0
155.03404	1.1
161.02304	1.0
165.01881	0.8
166.99754	2.3
167.03525	0.5
168.00568	9.3
168.04192	15.2
169.01341	53.6
170.01653	2.1
179.03305	0.7
183.02887	6.6
183.06546	1.7
205.01257	0.7
210.28516	0.5
211.00691	0.5
211.02332	2.7
211.80110	0.5
215.81981	0.6
223.02444	0.6
241.03589	0.6
252.77223	0.6
271.04514	1.9
273.00403	0.6
297.06027	2.1
300.99850	1.4
309.11542	0.5
313.02341	1.0
313.05664	14.6
314.06003	1.1
327.07187	4.5
367.17813	1.0
390.71991	0.6
482.10004	1.1
497.12900	100.0
498.13214	12.3
504.12387	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1669
Annotation	Cypellocarpin A
Peak:m/z	Relative Intensity
50.33019	1.4
55.01751	2.0
55.72775	1.4
57.03323	2.7
58.00446	3.3
59.01250	50.2
60.01580	1.9
61.98706	8.0
71.01257	46.7
71.58121	2.7
72.99173	6.2
73.02799	6.6
83.01219	6.7
83.21346	1.5
85.02435	1.6
85.02826	17.3
87.00741	4.1
89.01841	1.8
89.02314	22.5
95.01215	6.8
96.95857	1.9
97.06470	1.7
99.00738	2.3
101.01723	2.3
101.02322	33.3
103.93112	1.5
104.73706	1.7
107.01270	9.9
108.02025	1.8
109.02779	2.5
110.43911	1.5
111.00714	3.4
113.02322	15.2
113.10065	1.6
119.03339	6.0
120.37769	1.7
121.10111	25.5
123.00755	9.8
125.02336	31.6
125.05961	3.8
131.03270	1.6
133.02837	1.7
135.04378	3.7
137.09608	7.8
139.00209	4.1
139.03806	2.2
140.01009	2.7
141.51093	1.6
143.03424	2.3
151.00172	5.6
153.01785	3.7
161.02286	4.7
161.04544	8.2
165.09125	31.8
167.03339	1.6
168.00546	8.7
169.00012	2.6
169.01341	35.6
170.01660	1.6
175.03825	2.3
179.03343	1.8
183.08682	2.0
183.10204	32.3
184.10487	2.4
207.10196	1.7
211.00790	2.0
211.02437	25.1
225.11163	1.8
271.04663	17.3
279.03223	1.8
282.01743	1.6
291.12265	3.3
291.17978	3.5
313.05505	4.8
333.20609	2.0
335.01917	3.6
335.11371	8.6
335.22015	5.2
344.31363	1.8
345.15524	98.3
346.16077	7.9
361.18546	3.2
364.52661	1.7
379.32925	1.8
437.23581	3.4
497.10516	12.2
497.16354	100.0
497.27390	15.1
498.10654	2.3
498.16470	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	497.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84194	1.1
59.01247	4.7
65.00175	1.2
66.92298	1.2
71.01251	3.2
73.02852	1.4
83.01273	1.2
88.15565	1.1
89.02325	3.6
95.01292	2.6
98.20586	2.5
101.02348	2.3
107.01241	3.0
113.02345	1.8
123.00760	2.9
125.02372	6.3
139.00195	1.7
151.00259	2.8
152.39772	1.2
155.07045	5.0
169.01372	7.3
178.99863	2.2
179.07066	2.0
208.97722	1.5
221.05948	1.7
237.05560	2.3
249.05525	1.4
251.03406	2.8
253.04651	1.4
255.03032	2.4
263.03558	1.6
264.04456	2.4
265.04993	3.5
269.04517	1.5
271.02432	1.7
276.04254	2.0
277.05045	3.4
279.03149	2.2
279.06546	1.5
281.04514	1.4
289.05588	1.6
292.03781	2.6
293.04599	3.3
294.05173	3.3
295.02380	3.0
297.03555	1.3
305.04462	2.0
306.01639	2.5
306.05228	1.9
307.02451	4.3
307.05927	1.8
308.03284	1.7
309.04221	2.8
310.04874	2.1
320.03052	1.7
321.03986	2.6
322.01312	4.6
323.01944	4.6
323.05597	3.0
333.04111	2.6
335.01935	1.7
337.03598	8.0
337.11020	1.8
338.03955	2.7
339.04880	1.7
347.09320	1.6
348.02304	1.7
351.01373	3.1
353.02841	1.9
361.03415	1.8
365.10214	5.3
367.00693	1.7
381.09869	1.9
393.02100	1.7
393.09937	7.5
395.07474	2.1
409.08881	6.6
410.02823	4.5
410.09912	5.7
421.09131	9.0
422.09689	1.6
425.12735	6.4
437.08670	7.7
441.11807	3.8
443.09735	2.2
453.11929	4.4
454.08768	2.2
469.11261	8.4
497.10892	100.0
497.16272	4.7
498.11111	15.8
498.17700	2.3
498.32465	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46741	3.0
54.48497	3.2
69.86299	18.3
71.01263	8.6
71.04896	24.3
85.02843	3.6
95.01278	7.3
96.81211	3.7
97.02824	9.8
98.19813	4.1
101.02324	4.8
107.01266	11.4
111.00752	18.8
122.03642	4.6
123.00790	14.7
125.02339	74.2
135.04439	3.5
137.02351	5.9
139.00285	29.9
139.03909	88.4
140.01044	4.3
140.04230	3.9
150.82536	3.5
151.00305	9.3
163.03969	3.8
165.01903	12.4
166.99782	45.8
168.00377	6.2
169.01344	100.0
169.02798	6.5
178.32941	3.3
179.03293	5.1
183.02905	4.1
185.00891	28.5
211.02412	11.8
245.00931	4.4
247.02426	4.1
271.04529	5.2
283.01273	3.5
300.99872	4.0
313.02185	5.8
313.05618	42.5
453.10379	66.1
454.10733	7.0
479.08423	97.5
480.08542	11.2
497.09341	97.7
498.09677	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	497.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40205	4.2
55.75456	3.6
59.01262	21.0
61.32535	3.5
63.02282	5.5
65.00197	7.8
67.01765	4.2
68.21603	3.7
68.99671	3.7
69.52329	30.9
69.52714	5.9
71.01247	13.7
75.00746	4.4
81.03284	4.5
83.01250	14.2
85.02797	5.2
86.67751	3.7
87.00744	6.9
89.02316	9.3
93.03333	12.5
95.01256	15.4
99.00747	9.2
101.02305	7.9
107.01259	20.4
107.04976	4.6
108.02068	7.7
109.02825	19.0
110.66310	3.8
111.00759	18.2
117.03367	9.9
121.02832	11.0
123.00784	25.3
123.04427	6.2
124.01552	6.0
125.02332	43.7
126.02649	5.5
127.00266	6.4
133.02904	5.9
135.00797	7.1
135.04442	5.2
136.98653	5.1
137.02319	16.6
139.00261	24.2
141.01830	7.5
143.04941	5.2
145.02786	5.9
147.04430	4.9
149.02327	6.1
151.00298	62.4
152.01004	13.0
153.01840	11.8
154.99786	8.1
157.01357	12.0
158.03740	4.3
159.04413	5.5
161.02354	9.0
163.00288	19.0
163.03926	5.5
164.01038	9.7
165.01810	13.3
166.99773	7.7
168.00523	6.7
169.01350	34.4
171.04379	9.8
175.03932	7.8
177.01830	5.9
178.99774	43.7
181.01352	4.8
187.03871	11.6
189.01862	16.9
190.02614	6.5
190.99782	5.5
191.03412	9.8
192.00569	10.8
193.01340	18.4
197.00845	11.5
199.03952	8.1
201.01840	4.5
203.03394	11.9
205.01436	7.2
206.99294	20.6
207.02943	4.6
208.00024	15.9
209.00797	11.3
214.05923	4.4
215.03534	6.4
216.03993	5.3
217.01308	8.1
217.04907	7.1
218.02187	5.3
219.02965	15.9
221.67490	4.2
227.03522	25.3
229.04930	5.1
231.02934	9.9
233.04477	5.0
243.02946	16.2
244.03664	6.1
245.00887	10.7
245.04546	8.9
247.02458	14.8
255.02977	37.6
256.03534	6.2
259.02435	12.8
261.03894	6.6
271.02341	32.3
272.03143	12.2
273.03970	26.7
283.02454	16.3
284.03244	13.4
285.03989	10.5
287.01926	10.7
288.02725	7.3
289.03568	31.2
290.03864	5.1
299.01993	29.4
300.02692	13.2
301.00284	5.3
301.03537	16.0
316.02188	11.1
317.02954	53.4
318.03659	13.1
319.04620	19.3
335.04205	4.5
361.07285	4.5
371.06348	10.6
377.07312	18.9
419.15262	10.2
431.14645	6.7
447.09268	23.6
453.17535	7.7
463.08798	20.9
469.11395	5.7
479.08148	17.3
497.09583	100.0
497.16510	8.6
498.10196	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	495.1145
Annotation	tarocin A1
Peak:m/z	Relative Intensity
54.48420	0.7
59.01252	10.3
67.01742	1.0
69.03349	1.1
69.69520	4.2
69.69935	1.8
71.01254	4.1
72.99162	0.8
75.00735	0.9
76.11600	0.7
79.01792	1.2
81.03335	1.3
83.01302	0.8
85.02824	1.5
93.03375	1.4
95.01260	2.1
96.95895	0.8
97.02829	1.6
98.20435	1.6
101.02320	2.3
107.01286	7.9
109.02843	5.1
109.06467	3.4
111.00764	1.7
112.37058	0.9
113.02311	1.7
119.04903	4.2
121.02857	6.0
122.03673	0.9
123.00774	10.1
125.02341	46.8
126.02655	1.9
135.04439	5.4
136.98796	0.9
137.02344	3.5
137.05988	29.6
138.06313	1.4
139.00266	5.2
140.01135	1.4
141.01814	1.0
151.00246	6.9
161.02350	1.5
163.00269	2.0
163.03922	2.7
164.00963	1.0
165.01857	0.9
165.05463	0.8
166.99777	2.3
168.00517	2.7
169.01344	54.9
170.01704	2.5
171.13159	0.8
178.99809	1.3
179.03409	1.6
181.04987	80.0
182.05435	3.8
191.03496	1.1
194.99271	1.5
206.99223	0.9
211.02498	1.1
217.01373	1.1
223.02525	1.2
253.03293	1.0
261.00458	1.1
273.00217	1.9
300.99744	6.3
313.05640	26.5
314.06027	1.7
315.01526	2.0
332.01862	0.9
343.10376	9.5
477.10007	1.1
495.11505	100.0
496.11841	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	495.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32677	0.8
58.00461	1.9
59.01250	100.0
60.01589	0.9
60.83584	0.9
61.98702	1.4
69.59259	2.0
69.59672	6.0
71.01257	40.1
72.99171	1.8
73.02821	3.2
83.01254	2.3
85.02821	8.0
87.00771	1.5
89.02317	53.2
94.08630	0.9
95.01248	1.7
99.00764	2.8
101.01693	1.9
101.02325	25.6
113.02335	12.0
119.03387	12.5
125.02353	2.7
125.03961	0.9
129.01804	1.4
131.03397	43.1
132.03714	1.6
140.42195	0.9
143.03392	3.6
147.61957	1.0
149.04456	28.2
155.88498	1.1
161.04411	4.6
169.01300	1.8
170.79742	1.0
174.78783	0.9
177.01836	1.1
179.05540	10.9
182.72200	0.9
191.03745	1.2
191.05544	23.3
251.07692	1.0
303.18100	2.2
382.36859	1.1
435.22226	4.3
435.28766	1.8
444.59402	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88322	1.6
70.65039	3.6
70.65406	3.4
71.01267	1.9
84.80447	1.7
94.16019	1.7
96.20282	1.7
97.24349	1.9
123.00805	3.1
134.87337	1.7
140.14569	1.9
155.04733	1.6
159.51199	1.7
185.02306	2.9
201.01782	2.7
229.01424	6.4
245.00883	3.3
257.00928	7.8
275.01944	9.8
280.52295	1.9
283.99686	2.6
299.99155	3.2
300.99881	100.0
302.00204	6.6
359.08649	1.9
463.05078	3.5
495.07761	26.4
496.08670	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01274	1.1
70.27309	1.3
70.27713	0.7
71.01295	1.8
85.02843	1.0
95.01296	1.2
109.02878	0.5
109.81997	0.5
113.02360	0.9
123.00801	1.3
125.02340	1.7
133.02888	0.5
137.02347	0.7
137.72986	0.5
145.02931	1.4
147.22852	0.5
157.02885	0.8
161.02385	0.7
163.03966	0.9
166.99780	0.7
169.01398	1.8
173.02412	1.9
181.01405	0.6
182.46223	0.4
185.02341	2.4
189.01920	1.2
190.02673	0.7
191.03435	1.8
191.05576	1.3
201.01833	3.3
203.03493	1.1
213.01854	0.7
217.01396	0.8
219.02946	1.0
229.01421	4.9
230.01817	0.7
231.03026	0.7
245.00925	2.4
247.02510	0.7
257.00897	5.4
258.01608	0.7
261.00339	0.8
273.00360	0.9
274.01166	0.7
275.01953	10.3
276.02396	0.6
283.99573	2.6
299.99020	1.9
300.99887	100.0
302.00232	6.5
355.17401	0.5
423.05569	1.2
463.05099	1.9
495.07672	23.6
496.07846	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	495.0779
Annotation	Hibiscetin 3-glucoside
Peak:m/z	Relative Intensity
59.01243	7.1
65.00199	5.4
69.03331	3.3
69.65141	24.5
71.01231	8.3
83.01245	7.6
95.01255	7.7
96.99149	4.2
106.00503	6.0
107.01310	9.1
109.02827	19.9
111.00753	11.3
121.02823	3.9
123.00769	11.4
124.98679	5.4
125.02352	9.0
133.02898	5.3
137.02441	3.8
139.00272	9.9
141.01839	5.0
147.04309	3.1
148.01572	4.4
148.98743	3.7
149.02390	3.1
149.05875	3.1
149.99492	10.2
151.00299	24.5
152.01070	5.8
153.01869	6.8
159.04422	6.0
163.00249	3.9
165.01990	4.2
165.99017	4.0
166.99802	10.4
168.00536	7.3
169.01343	7.2
171.04498	3.7
173.02286	4.5
175.03888	10.9
177.98985	7.6
178.99774	41.2
180.00363	3.7
181.01337	5.7
184.01965	3.5
187.03967	14.7
189.01826	7.0
189.05501	4.1
193.01343	6.5
194.99294	5.0
197.02357	3.7
198.03096	3.8
199.03969	8.2
203.03415	15.8
204.04033	5.0
204.97804	4.4
206.99265	3.5
214.02771	3.8
215.03479	12.8
217.01355	5.5
219.02963	6.3
223.10101	3.5
227.03499	4.6
229.01338	4.6
230.02184	4.1
231.02953	12.4
232.03708	11.4
233.00912	4.3
233.04495	13.8
242.01967	4.0
243.02924	15.0
245.00804	4.1
247.02531	4.0
257.01053	5.2
258.01706	4.4
259.02466	10.7
260.03018	4.5
261.03900	6.7
269.00784	4.0
271.02554	22.0
272.02927	4.5
286.01263	5.9
287.01956	47.5
288.02527	9.0
289.03610	7.4
297.00354	7.0
299.01971	12.4
303.01541	5.7
315.01459	100.0
316.01837	8.7
332.01706	15.4
333.02487	9.9
347.17148	5.1
355.06735	4.5
359.05975	6.5
395.09818	15.2
395.14560	4.2
451.08853	5.8
477.06686	6.4
495.07764	68.6
495.14630	3.3
496.07962	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	495.0415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	8.2
65.00195	5.6
69.64400	21.1
71.01257	6.3
71.87457	2.7
80.04935	3.3
80.49387	3.0
85.47419	2.7
89.02326	3.8
95.01266	4.8
98.19794	5.8
99.00738	3.1
103.01686	3.1
106.55101	3.1
107.01272	6.2
111.00759	7.0
117.03335	6.8
121.31673	3.1
123.00747	10.3
125.02347	31.6
131.01311	2.9
132.02095	3.3
133.02870	6.6
135.67168	2.7
137.02348	8.3
139.00293	4.1
140.01051	4.0
143.01282	5.0
145.02831	11.2
147.00821	5.4
148.01563	7.8
149.02356	4.3
159.00804	2.9
159.70934	2.8
160.01567	9.3
161.02354	23.7
163.00244	7.5
163.03947	5.5
164.03384	3.8
165.01868	3.0
166.99771	10.7
168.00533	3.6
169.01334	39.1
171.00911	4.5
172.01595	3.9
173.02324	6.1
175.00325	5.8
176.01071	15.4
177.01860	13.8
181.04988	6.8
187.00247	16.3
188.01039	10.5
189.01833	21.7
191.03436	7.4
201.01839	7.9
204.00562	12.3
205.01369	11.6
213.99065	3.3
214.99826	24.4
216.00557	19.9
217.01399	30.5
218.99275	5.0
226.99922	4.1
229.01402	7.3
230.99310	14.0
232.00061	24.2
233.00853	23.9
242.99356	17.7
244.00032	11.5
245.00871	37.6
246.98769	9.2
247.02399	4.9
247.99712	7.6
257.00778	6.0
258.98779	8.0
259.99597	53.4
261.00391	100.0
262.00793	5.7
270.98898	36.1
271.99500	8.2
273.00482	9.0
274.01071	4.3
274.98639	5.7
275.01923	19.1
275.99072	12.9
276.01910	4.1
276.99908	7.3
285.00558	4.3
285.97443	15.4
286.98318	48.8
287.01343	5.8
287.99060	37.3
288.99866	35.1
290.00690	3.8
298.98279	9.5
299.99030	23.4
300.99860	56.1
302.00220	9.2
312.99896	7.2
313.05530	3.8
313.97281	4.1
314.97787	24.7
316.99319	9.6
331.98083	7.3
332.98785	7.9
395.06281	4.0
402.04568	3.4
407.06177	7.9
423.05719	31.0
433.04117	3.9
439.05121	11.7
449.03503	20.7
450.04547	3.8
451.05075	23.3
452.05911	5.6
462.04300	11.1
467.04840	13.9
477.03116	16.3
478.03925	4.6
495.04233	56.4
495.10934	5.6
496.04620	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67842	0.7
55.01750	1.2
57.03314	1.7
58.00459	3.1
59.01251	100.0
60.01588	1.1
69.87090	2.0
69.87502	3.0
71.01255	67.3
72.01576	1.4
72.99183	6.6
73.02805	2.8
75.00737	1.9
76.85489	1.0
81.03302	0.9
83.01263	3.1
85.02825	12.1
87.00747	4.1
87.58052	0.9
89.02319	77.3
90.02655	1.5
95.01254	2.8
97.02808	1.0
101.02327	38.1
107.01273	1.6
110.57548	0.9
113.02335	26.0
119.03394	40.8
125.02341	6.8
131.03418	4.5
143.03409	6.6
149.04515	4.2
159.13622	0.8
159.34773	0.8
161.04427	6.1
167.80695	0.8
169.01367	7.8
179.05573	11.0
179.06996	1.9
223.48621	1.0
245.63234	0.9
300.99692	2.0
302.00128	1.3
323.11658	1.0
328.06558	0.8
331.17667	1.6
363.14944	1.4
493.13440	1.9
493.22885	8.7
494.23444	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1365
Annotation	Ericifolin
Peak:m/z	Relative Intensity
55.01746	0.9
56.38484	0.7
57.03315	1.7
59.01252	13.6
60.01609	1.2
66.92775	0.7
67.01760	1.6
69.03323	1.5
69.68948	2.5
69.69373	2.2
71.01260	13.7
71.01642	0.5
72.01575	1.9
72.99191	2.0
73.02821	2.9
75.00674	0.8
77.55544	0.6
79.01761	1.3
83.01259	1.8
85.02834	4.0
87.00760	1.5
89.02319	7.3
90.02621	0.8
95.01260	5.9
96.51157	0.7
97.02839	3.0
99.00773	1.5
100.45205	0.7
101.02324	7.2
102.02667	0.7
107.01277	15.0
107.22903	0.7
111.00774	2.9
113.02311	5.5
114.02656	1.1
119.03384	2.4
123.00779	17.5
124.01578	2.1
125.02341	71.8
126.02685	3.3
127.00284	1.7
135.04462	3.4
136.98711	1.8
137.02327	1.7
139.00275	8.4
139.03940	0.8
140.01106	4.3
141.01836	2.6
145.02841	0.9
146.03632	16.5
147.04385	1.7
149.02350	0.8
151.00287	9.0
151.03996	0.9
155.70461	0.7
161.02417	1.2
161.05977	5.4
163.00279	2.8
163.03935	1.7
163.42700	0.8
164.04704	10.9
165.01816	1.1
165.05377	1.5
166.99748	2.2
168.00595	5.0
169.01344	89.2
170.01700	4.4
179.03395	1.5
179.05542	0.6
179.07036	10.6
181.01236	0.8
183.02890	1.4
203.03342	0.8
204.03712	0.7
209.61537	0.7
211.02409	1.7
214.99854	0.8
241.03374	1.1
247.02325	0.8
271.04797	0.9
285.00455	0.7
288.29077	0.8
288.91278	0.7
297.06207	2.0
300.99915	7.8
302.00357	1.2
303.00311	0.9
313.05676	28.7
314.05951	2.2
327.07050	1.7
329.16202	2.1
330.16470	2.0
331.06720	1.4
331.16580	3.9
454.19547	0.9
469.17917	0.8
493.13571	100.0
494.13858	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	493.1201
Annotation	16-Oxonapyradiomycin A2
Peak:m/z	Relative Intensity
59.01249	8.3
67.39994	0.7
69.90590	3.9
71.01256	7.1
71.59295	0.6
76.04936	0.7
78.85568	0.7
79.01768	1.1
79.26597	0.6
85.02831	2.4
87.00781	1.9
89.02319	5.0
95.01279	2.6
101.02335	4.0
105.31728	0.7
107.00591	0.9
107.01271	6.1
111.00789	2.2
113.02322	2.6
119.03436	1.5
123.00777	12.6
124.01574	1.0
125.02348	29.3
126.02665	0.9
127.00288	1.0
136.98682	1.3
139.00272	3.0
140.01045	2.9
141.01852	2.5
147.49881	0.6
151.00287	7.5
161.04486	2.0
167.03445	1.6
168.00592	5.4
169.01340	49.5
170.01682	2.0
179.05583	3.4
195.02940	0.6
211.02429	27.9
212.02829	2.0
241.03426	0.8
271.04596	42.1
272.04962	2.5
273.00314	1.0
313.05701	4.9
314.05994	0.7
331.06656	2.6
484.83948	0.9
493.12003	100.0
494.12354	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71893	1.5
51.88796	1.5
57.03313	2.6
59.01250	34.5
61.98693	1.7
62.12086	1.7
65.31998	1.5
67.01778	2.5
71.01256	26.4
72.99185	4.8
73.02825	6.5
75.00752	7.2
81.93528	1.6
83.01254	4.9
85.02831	13.2
87.00760	2.1
89.02309	14.1
90.18065	1.7
93.03365	3.0
95.01253	5.1
95.04887	2.2
97.02831	1.9
99.00755	2.9
101.02318	18.4
105.03361	2.5
106.32812	1.5
107.01260	5.5
107.04945	3.3
108.02074	1.9
109.02816	5.3
109.06495	2.9
111.00729	5.2
113.02344	16.7
117.03348	3.2
117.97823	1.6
119.03372	6.3
119.04910	5.2
121.02838	5.8
121.06445	1.9
123.00780	10.1
123.04400	4.0
124.01572	3.4
125.02345	26.0
127.00407	1.6
131.03401	2.1
133.02863	4.1
133.06483	8.9
135.04410	9.2
137.02330	10.7
138.03008	2.0
139.00270	3.3
145.02826	5.6
147.04411	9.4
149.02354	12.2
149.06006	3.9
150.03081	1.9
151.00307	3.5
151.03889	7.1
151.07466	2.5
152.01151	1.5
155.07034	1.9
159.04448	9.4
161.02345	6.6
161.04463	6.6
161.05959	18.9
162.03145	2.8
163.00278	5.5
163.03961	13.8
164.01077	3.7
164.04662	17.9
165.01843	4.6
165.05527	8.7
166.99785	2.9
167.07071	9.2
168.00560	1.8
169.01353	33.1
170.01776	2.1
171.07857	1.8
173.02414	2.0
175.00293	3.2
175.03949	10.3
176.01036	2.1
177.01791	10.7
177.05447	6.0
178.99777	7.0
179.03369	2.3
179.05623	2.5
179.07039	15.5
179.08600	2.5
180.02852	1.7
180.07367	1.6
187.03961	11.9
188.04779	1.6
189.01852	10.0
190.02699	7.9
190.99654	2.2
191.03384	6.1
192.00555	12.1
193.01357	32.6
193.04970	2.7
195.02866	2.5
203.03474	25.9
204.03961	3.9
205.01291	2.2
205.05009	53.4
206.05370	3.9
207.02917	5.2
211.02362	2.3
213.01857	2.4
217.01361	3.3
219.03018	2.2
221.04506	2.6
223.05911	1.6
224.77208	1.6
229.01447	3.5
230.02025	1.7
231.02954	43.9
232.03365	3.2
233.00806	4.6
235.02351	5.0
237.00436	10.0
238.56783	1.7
245.00908	2.5
247.02425	4.4
249.04018	14.6
250.04347	2.1
261.00427	2.5
273.00348	2.0
275.02075	8.1
279.01471	2.5
285.03827	2.1
293.03061	4.8
299.99039	3.6
300.02795	2.2
300.99936	26.7
302.00168	2.7
313.05652	7.5
319.01010	3.9
322.03400	3.5
331.17667	3.1
337.02039	31.8
338.02283	2.3
361.09195	2.4
375.07111	12.7
411.06567	2.8
412.07202	19.3
412.57428	6.6
475.08810	100.0
476.09119	11.6
493.09702	6.0
493.13950	1.6
493.23483	4.1
493.30081	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	493.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78783	1.0
57.03305	1.8
59.01253	10.2
65.00195	1.1
67.01747	1.7
69.03323	2.1
71.01253	13.5
71.57450	1.6
72.99167	3.0
73.02821	2.1
75.00735	2.2
83.01282	2.5
85.02831	3.5
87.00763	2.7
89.02324	5.5
95.01265	4.4
97.02840	1.3
99.00754	1.6
101.02322	8.2
107.01273	14.0
107.04948	1.4
109.02833	2.2
111.00743	4.5
113.02332	4.3
119.03404	2.4
119.04884	1.5
121.02885	1.4
123.00776	11.4
123.04443	1.3
125.02335	61.5
126.02631	3.1
131.91362	1.1
133.02861	2.6
134.03616	2.6
135.04419	100.0
136.04768	3.4
136.14874	1.2
136.98732	1.2
137.02295	1.9
139.00259	8.1
140.01025	2.3
141.01912	1.3
145.02837	1.6
146.03603	1.2
149.02336	1.7
151.00266	5.9
151.03871	1.9
152.03378	2.2
161.02350	7.4
163.00320	2.3
163.03918	2.5
164.04781	1.7
166.99780	6.1
168.00470	3.9
169.01337	76.4
170.01627	6.6
171.01778	2.4
175.03961	3.2
177.01872	2.2
179.03413	4.3
179.05542	1.5
179.07048	1.4
185.00867	2.6
189.01894	1.4
190.99857	1.4
191.03381	2.1
193.01343	3.0
203.03406	4.2
205.01329	2.1
205.05028	1.7
207.02985	1.8
211.02405	4.7
215.60927	1.1
221.04547	2.7
231.02925	2.1
241.03577	1.2
245.00841	1.7
247.02399	3.7
249.03949	2.0
264.91159	1.1
270.98849	2.2
271.04611	6.2
273.00381	1.8
275.01938	4.9
276.02261	2.0
297.09805	4.0
298.98053	1.5
299.99103	3.1
300.99860	15.4
302.00232	6.5
313.05658	29.8
314.06186	2.3
316.99384	4.7
330.16214	1.4
331.06903	1.4
331.16672	1.5
337.02017	4.0
433.04077	2.1
449.10895	61.7
450.11215	6.9
462.54663	2.8
493.09351	4.7
493.13440	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	491.3379
Annotation	28-Homodolicholide
Peak:m/z	Relative Intensity
57.03314	1.5
59.01248	1.4
69.03329	0.7
70.92223	0.6
70.92558	1.0
71.01277	0.7
78.45168	0.4
85.02840	1.2
87.04392	62.3
88.04736	1.5
99.04393	0.6
127.33199	0.5
127.65891	0.4
169.01314	0.7
194.20779	0.4
211.68932	0.4
297.22198	1.0
313.25400	5.6
314.25665	1.0
329.28561	4.7
347.29559	4.4
359.33398	0.9
373.27527	0.6
391.28922	0.8
413.30713	1.6
414.30768	0.7
447.34906	6.2
448.35114	0.9
457.20090	0.5
468.79749	0.5
473.32721	1.3
491.33783	100.0
492.34171	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	491.3744
Annotation	Sipholenol G
Peak:m/z	Relative Intensity
57.03323	4.8
57.23882	0.7
59.01263	2.9
71.04909	1.5
72.23612	0.7
87.04395	17.7
87.04884	1.2
95.04912	0.8
96.95907	0.8
98.19762	1.6
101.05965	9.1
101.06588	1.0
105.26851	0.8
116.16222	0.9
130.70456	0.8
140.34003	0.8
229.32204	0.9
291.23135	0.8
313.25400	1.7
329.28644	1.4
333.24823	0.9
341.28622	3.0
357.31802	1.8
359.29474	1.6
359.33359	1.9
371.29764	2.2
385.31287	1.8
387.32922	1.8
401.34506	1.9
429.33490	1.9
445.36908	17.8
446.37567	2.5
455.35770	0.9
473.36423	41.3
474.36920	6.3
491.37665	100.0
492.37943	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	491.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.8
57.03328	1.8
59.01252	20.9
61.98718	1.0
68.99692	1.8
71.01259	19.3
71.01659	0.9
71.57823	1.0
72.99187	1.4
73.02824	5.9
75.00732	0.7
76.07233	0.6
80.27388	0.6
83.01276	2.9
84.02039	0.7
85.02832	7.1
87.00261	0.6
87.00760	1.9
88.05190	0.5
89.02316	9.9
93.03338	36.5
94.03686	1.1
95.01263	2.2
96.99196	0.7
97.02876	0.7
98.02377	1.2
99.00774	2.1
101.02326	14.1
107.01355	0.8
108.02068	1.3
111.00684	0.8
112.75421	0.6
113.02339	7.0
119.03403	2.8
121.02844	1.7
125.02353	2.7
133.02820	0.8
135.04433	0.7
136.01556	1.8
137.02347	90.8
138.02702	3.5
143.03426	1.8
147.04469	0.6
149.05977	0.9
149.09653	1.5
153.12692	0.9
161.04457	3.0
163.03900	1.0
167.10658	3.0
169.01350	2.0
179.05540	7.4
181.12274	2.2
191.03416	0.6
191.10733	1.8
209.11772	1.4
209.15408	2.4
221.04506	1.2
282.04257	0.6
300.99850	0.8
329.23352	1.1
341.10880	10.3
445.85535	0.8
477.20258	0.7
491.22855	100.0
492.23230	15.0
492.30106	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1924
Annotation	Toonaciliatin F
Peak:m/z	Relative Intensity
51.09228	0.2
55.01749	0.9
57.03330	0.4
58.00458	0.7
59.01253	12.0
69.61222	2.2
71.01254	9.2
72.99178	1.2
73.02816	2.6
75.00756	0.7
76.16238	0.2
83.01273	1.7
85.02822	2.8
85.99969	0.7
87.00768	1.5
89.02317	3.8
93.03330	0.3
95.01266	0.9
98.57301	0.3
99.00754	1.2
101.02325	5.4
101.30619	0.3
107.01264	0.6
108.02043	0.7
109.02811	0.8
111.00735	0.7
111.51562	0.3
113.02342	2.5
115.54289	0.3
119.03389	0.8
121.02843	5.6
123.00760	0.6
125.02349	1.8
131.03412	0.3
133.02916	0.3
134.03627	0.7
135.04396	0.6
137.02350	0.4
145.02933	0.3
147.04413	0.6
149.05989	0.4
150.03162	0.4
152.01054	0.7
159.04430	2.8
161.04514	0.5
165.05540	0.3
166.99803	0.3
167.07158	0.3
169.01340	1.9
175.03824	0.3
176.45120	0.3
187.90302	0.2
193.04906	0.3
195.06596	0.3
197.90984	0.2
204.49275	0.3
211.03870	0.3
212.04698	0.5
227.07050	0.5
237.05521	0.4
240.04228	1.2
241.04742	0.3
251.07014	0.4
253.05150	0.4
253.08636	0.7
254.05789	0.7
255.06647	2.5
256.07239	0.4
263.07101	1.1
267.06775	0.3
268.07382	3.0
269.08221	4.6
270.08902	2.6
271.09711	0.8
281.08206	11.3
282.08710	2.1
283.09753	4.9
284.10092	0.5
296.10550	1.5
297.11295	1.3
297.97565	0.6
299.09225	4.3
299.99179	0.4
300.02524	0.3
300.09982	1.5
300.99936	1.1
301.10645	0.5
302.07877	1.1
312.99960	0.8
313.10855	0.4
314.11600	9.4
315.12308	5.6
316.12912	0.3
328.02148	0.6
328.09515	0.8
329.13947	11.8
330.14328	1.1
343.11938	3.4
344.12338	0.5
357.13538	0.8
413.28302	0.3
431.23105	0.3
461.14560	2.3
462.14990	0.4
472.35092	0.3
476.16876	9.3
477.17252	1.1
491.19235	100.0
492.19592	15.0
492.26941	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	8.7
59.01252	100.0
61.98707	6.6
62.44493	2.9
69.03323	3.8
69.30782	26.1
71.01254	44.2
72.99184	4.4
73.02824	6.5
78.63870	2.5
81.52838	2.3
83.01264	5.5
85.02832	11.5
87.00775	6.8
89.02320	41.6
95.01285	3.7
98.19816	4.3
99.00759	3.4
99.04412	2.8
101.02319	24.8
101.72818	2.5
113.02336	19.1
119.03408	10.8
123.00797	2.7
125.02322	10.5
131.03439	3.3
143.03426	4.9
161.04478	11.1
163.07526	4.9
167.10696	9.6
169.01324	9.4
179.05501	18.7
215.63623	2.4
256.17078	2.4
270.98868	2.4
297.97501	3.1
300.99838	6.5
312.99939	4.0
313.22073	3.0
328.02310	3.6
339.05426	3.0
341.10892	48.5
342.11368	4.0
429.26553	3.0
431.26248	3.8
447.27231	5.1
457.05963	2.9
459.09091	3.4
491.26440	21.3
491.32843	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	491.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16057	2.4
57.03330	7.0
59.01253	100.0
61.98711	9.2
71.01256	42.6
71.04897	2.8
71.58229	4.3
72.99177	3.4
73.02828	7.5
83.04916	4.1
85.02845	10.9
87.00766	5.4
89.02322	42.7
93.03348	3.3
95.01283	2.9
99.00754	4.5
101.02332	30.0
101.48251	2.4
107.01264	3.4
113.02338	16.8
119.02689	2.5
119.03371	15.3
121.02823	2.7
125.02314	12.5
125.05895	2.9
143.03406	7.1
150.06795	5.9
161.04532	12.9
163.00284	3.4
167.10684	15.6
169.01346	12.1
178.36247	2.8
179.05554	19.5
179.10715	3.1
245.00896	3.9
247.05478	2.8
300.99750	6.1
312.99734	4.2
328.02353	5.2
331.04971	2.8
341.10864	45.3
429.26550	3.1
431.26532	6.6
445.03296	3.0
447.27411	3.0
459.09186	3.0
491.26349	27.1
491.32913	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	491.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.4
59.01257	28.8
61.98702	2.4
71.01261	7.9
71.38083	1.1
72.99187	1.7
73.02826	3.3
75.00759	1.4
81.96864	0.9
83.01239	1.3
84.60711	1.0
84.65438	1.1
85.02834	3.9
87.00809	1.4
87.04357	1.5
89.02332	5.1
93.03368	1.6
95.01254	2.1
95.04889	1.5
101.02345	6.8
113.02358	3.1
119.03392	2.8
122.03632	1.7
123.00797	2.0
123.63481	1.3
125.02338	3.0
126.84503	1.1
127.07526	1.4
137.09560	1.2
147.00830	1.2
152.03438	14.8
153.03810	6.8
161.04474	3.7
166.99806	1.1
167.10757	1.6
169.01343	5.4
175.00389	1.4
179.05539	2.2
181.12195	1.2
182.77003	1.1
193.01416	1.7
195.08051	1.8
198.03183	1.9
208.05283	1.2
211.03888	3.1
211.07564	2.5
213.01750	1.2
213.05771	1.3
214.02518	1.5
214.99750	1.2
223.04051	1.4
223.07602	1.8
224.04622	2.0
225.05479	2.4
227.03502	2.5
229.01285	1.9
232.00146	1.1
238.02544	1.9
239.03476	13.0
239.07123	2.9
240.04178	3.0
240.16855	2.0
241.05127	1.7
242.02185	1.4
245.00925	1.9
246.98566	1.2
249.05688	2.2
251.03386	1.6
251.07242	3.2
252.04187	2.3
253.05165	4.8
254.02115	2.0
255.03055	1.7
255.06638	2.3
256.03833	2.0
257.00873	2.3
265.05042	1.9
266.02234	4.3
266.05838	1.4
267.03149	7.5
267.06543	10.1
268.03583	1.5
268.07303	2.7
269.00986	5.6
269.04272	2.8
270.01520	3.0
270.05246	1.2
270.98904	1.1
271.02408	1.4
277.05206	2.0
279.03036	2.2
279.06705	3.4
280.03690	5.9
281.01086	1.9
281.04636	4.3
282.01746	3.1
282.05197	2.4
283.02527	4.7
283.06155	4.6
284.06964	2.4
285.00574	1.4
285.03986	2.0
289.03586	1.6
290.73819	1.2
293.04364	2.0
294.01761	3.2
294.05405	2.9
295.02628	5.4
295.06174	24.0
296.03189	5.8
296.06741	4.7
297.00839	1.9
297.04013	8.0
298.01151	2.8
298.04666	2.3
301.00101	1.7
301.03464	2.4
307.06027	2.3
308.03271	3.8
309.00702	2.3
309.04105	3.6
309.07620	2.1
310.01297	4.0
310.04767	2.1
311.02005	25.0
311.05643	10.2
312.02579	3.3
312.06476	5.0
312.99884	2.7
313.03546	2.4
313.07236	3.5
322.01239	1.8
322.04825	1.9
323.02069	1.4
323.05554	24.5
324.06253	4.6
325.00000	2.2
325.03561	13.6
325.07092	2.0
326.04172	2.7
327.01797	5.6
327.05261	2.4
327.08862	3.7
328.02118	2.2
328.05594	1.6
329.03015	4.5
331.04361	1.3
338.00745	1.9
339.01343	3.0
339.05112	22.4
339.09030	2.0
340.05701	8.3
341.02945	1.7
341.06793	1.6
341.10706	2.0
343.08127	6.8
351.05142	9.3
353.03003	2.4
355.04523	7.2
355.08401	9.4
356.05096	2.2
365.03040	2.1
367.04620	22.6
368.05060	2.8
369.02435	1.7
371.07739	13.5
372.08282	2.1
374.02945	3.9
383.03799	2.0
383.07828	13.8
384.04666	1.8
389.05063	1.7
395.04214	3.8
399.07224	76.1
400.07660	9.4
409.05560	4.1
415.10452	2.7
427.06717	35.4
428.07138	4.1
431.10031	1.8
431.26495	3.1
447.12741	1.9
447.28116	1.3
459.09338	100.0
460.09750	11.2
491.12024	45.0
491.26526	7.7
491.33649	1.7
492.12317	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1195
Annotation	Burkinabin B
Peak:m/z	Relative Intensity
50.17049	0.5
53.67194	0.6
57.03326	0.7
57.85262	0.7
59.01257	13.4
64.55658	0.7
66.48752	0.6
69.03327	0.6
71.01260	11.0
72.99186	1.5
73.02808	0.7
75.00751	1.0
81.03331	1.4
83.01254	1.0
85.02809	3.5
87.00747	0.7
89.02323	5.7
93.03325	1.0
95.01271	2.7
98.19784	1.7
101.02323	4.8
103.22260	0.6
108.02058	55.4
109.02856	32.4
110.03191	1.4
113.02353	4.2
117.03352	1.4
119.03393	3.4
121.02847	2.5
123.00784	2.8
123.04429	1.2
125.02357	4.3
126.99773	0.6
132.02068	6.8
133.02849	4.9
134.03659	8.5
135.00768	1.9
135.04462	3.7
135.08049	1.5
137.02348	0.8
145.02893	0.8
149.05977	1.7
149.09624	0.7
151.03900	2.4
152.01068	69.8
153.01857	31.7
154.02191	1.3
160.01582	31.2
161.02365	18.1
161.05966	0.8
162.02771	1.0
163.03903	1.8
165.01820	1.7
165.62752	0.6
166.99753	1.0
169.01347	5.1
175.03926	23.8
176.04521	0.6
177.05481	0.9
179.03430	3.0
190.02687	0.8
193.01549	0.6
193.04958	4.5
229.50415	0.7
243.06601	0.9
287.15201	0.6
293.15408	3.4
300.02493	0.9
300.99933	1.8
311.16501	1.8
315.07239	24.4
316.07547	1.5
323.07797	4.3
337.09332	2.0
401.14594	1.0
447.12827	2.3
459.09286	1.5
473.21686	1.5
491.11957	100.0
492.12262	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	491.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.8
58.68929	0.8
59.01031	0.6
59.01249	6.3
61.98684	1.6
66.12437	0.7
66.43810	0.6
71.01255	2.4
72.99200	0.7
73.02796	1.0
75.02263	1.4
77.53271	0.6
78.09270	0.7
78.95757	1.7
85.02816	1.2
91.01762	4.3
93.03345	1.0
95.01263	1.8
95.04914	0.7
97.02790	0.7
97.06433	0.7
101.02345	1.3
108.02034	3.2
109.02802	2.4
119.01291	5.6
121.02843	1.9
123.00826	0.9
125.02321	1.8
131.01273	4.8
132.02068	1.4
133.02858	0.8
135.00740	1.3
135.04431	2.2
137.02322	1.3
145.02823	0.9
147.00787	22.1
148.01572	4.4
149.02322	1.8
149.57414	0.7
151.03906	1.3
159.00784	4.5
163.00256	0.9
163.03888	1.8
164.01003	0.9
165.01855	1.9
168.80299	0.9
169.01279	1.6
175.00290	18.4
176.01068	22.1
177.01773	2.9
179.03436	4.1
190.02660	3.2
190.99799	2.9
191.03424	9.2
192.00565	2.2
193.01344	2.0
202.02388	0.9
202.99791	28.1
204.00194	1.1
207.02881	3.9
209.00781	0.8
215.03308	0.9
218.99330	2.3
219.99992	2.0
221.00827	6.6
229.01318	1.4
235.02432	24.3
236.02873	1.0
246.98793	29.8
247.99159	2.2
260.03235	0.8
271.05841	1.0
279.01456	100.0
280.01825	5.6
288.02802	1.3
289.45395	0.7
295.22803	1.9
300.99792	1.1
315.04977	0.9
332.01654	1.2
347.07474	1.6
374.92108	0.7
385.27621	0.9
429.26511	1.4
447.27130	1.6
490.32300	1.8
491.12067	8.2
491.25781	7.5
491.34247	1.3
492.12396	1.4
492.27295	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
62.62168	0.2
63.02288	0.2
65.00195	0.6
67.01753	0.6
68.99689	0.3
69.28754	2.6
75.02275	1.0
76.27912	0.3
80.02562	0.3
89.03854	0.2
91.01771	3.4
93.03331	0.8
95.01263	0.9
103.01777	0.6
105.03363	0.5
107.04887	0.8
108.02049	2.5
109.02843	1.4
119.01276	5.1
119.04941	0.4
120.02084	0.4
121.02824	1.3
123.00780	0.4
123.04402	0.6
124.01527	0.6
131.01292	4.5
132.02034	0.7
133.02838	1.1
135.04428	1.9
136.01570	0.4
137.02324	1.7
140.01062	0.3
145.02843	0.6
147.00783	19.6
147.04416	0.5
148.01582	5.2
149.02283	1.1
151.00302	0.4
151.03922	1.4
153.05478	0.4
153.40248	0.2
159.00797	4.0
161.02357	0.3
163.00261	1.2
163.03928	1.7
164.01035	0.7
165.01819	0.9
173.02376	0.4
175.00293	19.5
176.01079	19.9
177.01784	2.2
178.99796	0.6
179.03445	3.4
181.04973	0.3
190.02675	2.3
190.99815	1.4
191.03439	8.1
192.00562	2.3
192.03790	0.4
193.01382	1.1
201.01900	0.4
202.99809	33.3
204.00192	1.5
205.01353	0.5
207.02928	3.5
209.00890	1.3
215.03419	0.6
218.99326	1.5
220.00079	2.0
221.00887	4.8
228.00655	0.6
229.01387	0.4
229.05074	0.4
235.02452	22.2
236.02682	1.6
244.07396	0.7
244.21556	0.2
246.98822	31.4
247.99246	1.9
256.00119	0.6
258.88376	0.2
259.02457	0.3
271.06183	1.2
279.01456	100.0
280.01810	6.3
288.02679	0.5
303.08624	0.3
315.05133	1.1
325.07635	0.3
331.00729	0.4
332.01581	0.8
347.07660	0.9
363.03610	0.5
383.07739	0.3
459.09430	0.5
491.11920	3.7
492.12201	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45995	0.3
53.46259	0.2
59.01246	0.7
65.00190	0.7
66.86990	0.3
67.01746	0.5
68.99685	0.3
69.81759	0.2
75.02254	1.3
77.44493	0.2
79.01772	0.3
80.02556	0.3
89.69664	0.3
91.01765	4.6
93.03326	1.1
95.01285	0.6
103.01799	1.0
104.02579	0.4
107.04895	0.6
108.02052	3.2
109.02849	1.5
111.00718	0.3
113.12481	0.3
119.01273	5.6
120.02096	0.3
121.02840	1.7
123.00764	0.4
123.04419	0.5
124.01551	0.8
125.02315	0.3
131.01279	5.7
132.02058	0.4
133.02863	0.5
135.00810	0.3
135.04445	1.8
135.69682	0.3
136.01561	0.7
137.02319	1.7
140.01120	0.3
145.02827	0.6
147.00778	22.9
147.04420	0.5
148.01575	5.3
149.02350	1.4
151.00279	0.5
151.03925	1.7
153.05487	0.4
159.00789	4.0
160.01141	0.3
161.02327	0.4
163.00244	1.1
163.03922	1.9
164.01033	0.6
165.01888	2.0
173.02473	0.4
175.00284	23.3
176.01062	22.4
177.01736	2.5
178.99794	0.7
179.03407	3.9
190.02646	2.7
190.99782	2.3
191.03432	7.6
192.00600	2.8
192.03766	0.2
193.01323	0.9
198.83511	0.3
200.01250	0.3
202.99800	33.3
204.00162	1.9
205.01398	0.5
207.02937	3.7
208.00089	0.3
209.00870	0.9
211.09663	0.3
215.03448	0.7
218.99182	1.3
220.00078	1.8
221.00873	4.9
222.01172	0.4
227.06992	0.7
228.00603	0.8
229.01331	0.3
235.02446	22.5
236.02802	1.2
244.07320	0.5
246.98813	31.6
247.99196	2.3
256.00143	0.4
260.03290	0.5
271.06091	1.7
279.01453	100.0
280.01807	6.0
287.01782	0.5
288.02783	0.7
303.08609	0.6
315.05075	1.9
331.01016	0.4
332.01779	0.8
347.07684	1.1
363.03745	0.8
383.07663	0.5
459.09192	1.5
491.11880	4.2
491.26120	0.4
492.12152	0.8
507.58093	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0832
Annotation	2,12-Dichloroisoplagiochin
Peak:m/z	Relative Intensity
59.01248	1.0
61.36718	0.5
64.95853	0.5
69.27918	2.8
69.28349	2.5
87.00748	0.8
92.40779	0.5
100.47280	0.5
101.02318	0.6
107.01273	4.4
118.43528	0.5
123.00736	1.0
125.02352	10.0
130.00505	0.9
163.00212	1.3
166.99701	0.7
169.01337	16.1
170.01637	0.7
173.02225	0.6
174.66779	0.5
185.02313	0.9
185.99545	0.6
189.01910	0.6
197.99524	1.6
213.98947	1.0
229.01361	1.7
241.98517	2.1
245.00890	1.0
254.99358	3.1
257.00894	2.2
269.98056	36.0
270.98297	3.2
282.98929	0.9
283.99695	1.0
285.00412	18.6
286.00711	1.6
297.97540	69.6
298.97940	5.5
299.99200	1.0
300.99896	11.2
302.00385	1.0
312.99902	100.0
314.00229	8.6
328.02237	79.3
329.02570	8.6
453.03943	1.7
475.99384	0.8
476.06006	9.4
477.06296	1.2
491.08331	87.2
492.08698	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	490.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02539	1.9
59.01254	16.6
65.00192	3.2
65.99734	3.1
71.01248	15.1
71.57558	2.9
73.02829	2.3
83.01273	4.0
85.02834	3.9
89.02310	5.8
93.03334	3.1
95.01277	7.1
96.95915	2.0
97.02837	3.4
101.02319	4.9
107.01267	26.8
107.21452	2.2
109.02834	10.0
111.00798	3.9
113.02351	3.3
121.02859	2.5
123.00781	16.2
123.04385	2.3
124.01582	4.5
125.02336	62.4
126.02601	3.0
129.03371	2.2
131.01295	1.9
133.02863	6.8
134.02383	3.2
135.00760	2.9
135.04443	4.5
137.02362	8.4
139.00291	3.5
139.03934	2.8
141.01904	2.7
145.02879	5.6
148.01570	15.9
149.02348	8.0
151.00278	12.4
152.01065	2.3
152.21620	1.9
159.04401	3.1
161.02365	8.1
161.04454	2.5
162.01903	8.8
163.00310	8.4
163.03961	6.2
164.01077	3.0
164.03487	6.1
165.01884	2.3
166.99788	9.3
167.03459	2.1
168.00513	4.8
169.01346	100.0
170.01663	6.0
171.04449	2.0
173.02403	3.7
173.04395	2.5
175.00322	2.5
175.03824	2.3
176.01120	2.4
177.01854	21.2
178.99762	9.3
179.03407	2.8
181.01408	2.1
183.04521	3.4
185.02298	2.6
186.01921	5.4
189.01909	7.8
190.01299	4.0
191.03447	3.1
199.03877	3.4
201.01895	6.0
202.99837	6.8
203.03513	4.9
204.02957	17.8
205.01421	2.7
211.04045	2.9
215.03543	3.7
216.00554	2.0
217.01372	5.9
227.03441	5.9
229.01321	5.5
229.04988	2.1
230.00880	12.2
231.02956	5.6
233.00824	3.4
235.02499	2.7
242.02211	2.0
242.15202	2.2
242.99232	2.1
243.02968	6.1
244.00099	2.9
245.00784	5.4
249.04077	4.1
255.02936	3.1
256.03671	2.3
257.00809	3.9
261.00302	2.3
270.98880	4.9
271.02438	19.4
271.04880	3.2
272.03088	5.5
273.00342	5.0
273.03989	5.6
274.00864	2.0
275.01950	7.7
281.06680	2.7
287.02081	2.9
294.04102	3.8
299.01953	24.8
299.99136	6.1
300.02704	8.4
300.99881	66.2
301.03214	4.0
302.00189	5.2
312.02621	2.3
312.99915	4.3
313.03250	5.0
316.02222	8.0
317.02933	14.8
322.03659	9.3
325.05667	3.7
339.03757	16.0
340.00919	1.7
340.04620	25.4
354.08203	25.1
357.04858	8.6
358.05472	10.3
359.14752	2.5
362.02969	3.9
380.06305	16.7
405.08487	4.0
432.07111	4.5
438.03317	15.3
438.53610	5.5
449.07227	12.3
450.07422	2.2
472.08942	16.9
473.09344	2.7
490.09961	57.8
490.17184	3.3
491.10324	13.1
491.19406	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	489.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26806	0.9
57.03342	1.1
58.00467	2.7
59.01252	100.0
69.57372	7.4
71.01253	31.0
71.01659	1.3
72.99200	5.3
73.02824	31.7
83.01270	2.7
85.02823	11.9
85.99980	1.1
87.00750	9.2
87.04402	3.7
89.02317	26.8
89.02833	1.8
93.63898	1.0
95.01244	1.2
97.02854	1.5
98.20553	1.1
99.00766	1.9
99.04434	1.3
101.02327	59.0
103.03894	23.6
113.02340	5.1
115.03886	8.1
119.03389	13.9
119.04847	0.9
125.02338	8.2
127.03936	2.0
129.77611	0.9
131.03384	10.1
142.05200	1.0
143.03398	13.3
145.04959	6.3
163.06036	81.0
164.06427	1.9
168.00510	1.1
169.01372	7.0
205.07130	24.2
206.07613	1.1
211.02451	2.8
265.09244	5.8
271.04544	3.9
276.06177	1.0
300.99744	2.5
337.15076	1.5
429.17444	7.7
430.17621	1.4
489.16235	3.5
509.13248	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	23.8
65.99707	3.9
69.58196	32.3
71.01253	11.1
78.54408	3.5
85.02801	7.0
89.02312	10.8
98.20589	7.5
101.02299	5.9
107.01244	7.8
109.02831	18.5
113.02295	4.4
121.02863	7.6
124.01537	5.0
125.02324	16.5
133.02870	6.7
134.02386	7.7
137.02318	17.5
148.01588	30.4
148.02580	5.8
149.02301	10.7
151.00266	14.4
152.00986	4.6
155.89690	4.4
159.04405	4.5
161.02361	9.0
162.01872	16.1
163.00258	10.6
164.01042	4.0
164.03395	13.2
166.99753	7.6
169.01317	15.4
177.01860	42.5
177.05522	3.8
177.61952	4.3
178.99716	6.6
186.01913	7.5
186.24109	3.8
190.97560	4.7
191.02046	6.2
198.97827	3.7
202.01407	5.3
202.99768	9.3
203.01952	6.1
204.02959	42.4
215.03450	5.2
230.00871	22.2
243.02901	6.5
245.04541	4.6
255.02994	6.2
271.02502	28.3
272.02960	6.1
281.06799	7.7
285.04080	7.4
287.01956	5.3
299.01993	25.0
300.02414	6.7
300.99884	8.9
313.03256	11.1
316.02216	12.6
317.02914	23.4
322.03503	14.5
325.05554	11.9
339.03693	27.6
340.04605	45.6
354.08273	38.6
355.08545	4.4
357.04840	14.9
358.05579	9.6
380.06183	40.1
403.17746	20.1
432.06970	6.1
449.07074	13.5
451.45505	4.7
472.08972	34.8
490.09897	100.0
491.10123	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88331	3.9
57.01357	4.1
59.01250	100.0
59.87294	4.3
60.69271	4.0
62.30796	3.6
62.90271	4.2
63.96115	6.9
65.02911	4.4
67.01766	4.7
69.97275	9.7
69.97667	11.2
71.01254	49.6
72.99196	6.9
73.02823	23.5
83.01270	7.2
85.02824	13.9
87.00751	8.5
87.04407	7.8
89.02325	18.9
93.03348	5.7
95.01264	8.7
98.19913	5.2
101.02318	44.5
102.26857	4.7
103.03868	12.2
107.01280	13.6
111.00784	11.5
111.04439	7.0
113.02316	13.0
117.03403	5.5
117.97188	34.8
119.03391	11.4
119.04935	12.3
123.00754	13.1
125.02338	39.0
131.03378	9.9
131.48782	3.8
135.04449	13.7
139.00255	13.0
140.63107	4.5
143.03392	10.3
145.02791	4.5
151.00244	6.9
161.02380	10.1
161.04485	10.0
162.46184	5.5
163.03915	13.1
163.06010	51.6
166.99765	8.6
169.01343	43.0
173.04453	17.9
179.03419	6.6
185.00679	5.4
191.05493	15.3
201.01918	4.3
205.07133	18.9
211.02361	7.7
237.04221	4.8
241.14426	22.8
243.06625	9.6
265.14523	6.8
269.00693	4.8
271.02261	4.8
283.11703	7.1
286.12573	4.6
298.03662	5.1
300.02692	9.7
300.99945	19.4
301.03094	5.2
313.05734	5.8
316.99393	5.1
337.09485	6.5
429.17740	10.8
489.20111	8.0
489.30298	13.3
489.36221	6.0
489.48639	4.5
490.13486	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	489.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	9.0
60.04073	1.5
67.66412	1.6
68.99693	3.0
69.81255	9.6
71.01257	37.3
71.48101	1.5
72.99182	8.2
73.02816	2.5
83.01254	2.6
85.02833	6.6
87.00745	14.4
87.28800	1.8
89.02301	5.7
99.00757	4.1
101.02341	5.2
107.01254	2.7
109.02820	2.7
111.00799	2.6
113.02342	9.9
113.99485	13.0
115.00285	18.2
123.00763	1.8
125.02359	10.7
127.00259	3.9
129.01842	14.1
139.00336	1.7
147.02910	28.7
147.06548	3.9
153.01811	2.4
157.01346	8.1
169.01321	9.1
170.01596	2.2
174.01620	16.5
175.02419	2.4
179.05414	3.8
191.05499	3.6
196.37448	1.7
277.05655	28.9
300.99911	3.9
319.06659	3.5
337.07773	100.0
338.08115	5.2
341.10828	6.9
404.85626	1.5
429.06628	1.7
489.08569	40.5
490.09244	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	489.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.3
59.39640	1.1
59.43464	1.2
68.99682	4.4
71.01257	2.7
71.28851	2.1
83.01275	1.6
85.02826	7.4
87.00729	2.3
95.01240	1.6
99.00755	5.3
101.02358	2.6
111.00775	1.6
113.02332	6.4
113.99485	15.3
115.00277	7.9
123.00822	1.4
125.02296	3.2
127.00249	3.3
129.01788	2.3
132.66096	1.3
141.01839	1.9
156.00583	1.9
157.01360	7.2
169.01331	4.4
174.00227	1.3
174.01628	15.2
175.02249	1.9
254.93604	1.3
277.05661	27.6
280.96475	1.4
296.89697	1.3
298.51227	1.3
319.06790	3.4
337.07770	100.0
338.08105	5.0
429.07077	2.3
489.08853	44.5
490.09454	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	489.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.0
59.01259	11.2
70.66910	3.0
71.01246	6.7
71.04891	2.1
72.36705	1.5
73.02828	2.9
77.64372	1.5
83.01232	1.5
85.02823	4.0
85.06471	2.0
86.84789	1.5
87.04398	2.3
87.80947	1.3
96.95882	2.9
97.06444	3.0
97.66466	1.4
101.02319	3.0
113.02305	2.8
125.02338	1.6
139.11221	1.8
171.00827	1.6
187.00290	2.0
202.99786	1.9
214.99837	3.6
226.99849	5.3
229.01318	3.1
233.00919	1.9
242.99330	11.0
245.00818	2.3
247.02609	1.7
253.05133	2.2
259.02362	3.0
259.99673	4.4
267.06644	2.1
270.98795	12.9
283.02487	2.0
283.05844	1.6
283.22833	6.7
285.97601	2.1
286.98352	2.3
287.99188	4.9
293.00845	1.6
298.04767	2.0
303.01407	12.8
311.05576	3.9
318.00043	12.0
325.03406	6.8
325.07208	3.7
327.08878	1.7
333.02536	2.3
337.07013	1.6
339.05060	2.8
343.04517	3.1
353.06580	4.6
354.07489	3.9
356.05325	2.2
357.06015	1.6
370.06995	3.3
381.06250	5.3
385.09125	6.7
398.06302	3.4
399.07214	1.9
413.08871	6.0
445.11353	3.6
445.29724	2.7
457.08020	7.4
489.10397	100.0
489.31842	25.8
490.10657	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	489.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50175	1.3
57.03310	2.9
59.01255	15.1
67.46463	1.4
71.01257	100.0
72.99182	25.8
75.55214	1.3
85.02837	2.3
87.00754	28.5
89.02329	10.8
98.19796	4.9
101.02328	6.2
107.01299	2.4
110.72308	1.6
113.02338	4.4
113.99458	1.6
115.00259	21.3
119.03374	4.3
123.00751	1.6
125.02341	6.7
129.01823	15.7
133.01332	3.5
138.39099	1.4
147.02902	75.1
147.06535	3.7
147.38992	1.4
148.03201	1.6
152.60107	1.6
169.01353	7.8
174.01631	1.7
179.05525	6.6
191.05502	2.2
225.85387	1.5
258.76950	1.5
277.05722	2.9
300.99863	4.6
324.86914	1.5
337.07767	6.6
341.10974	17.2
342.11243	1.6
371.40399	1.5
489.08618	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3431
Annotation	Emarginellic acid
Peak:m/z	Relative Intensity
54.85086	2.3
55.93586	2.2
60.20618	2.5
64.80620	2.3
66.60734	2.0
69.52321	1.9
71.48910	4.3
74.74602	2.0
85.06453	20.9
87.04375	4.0
132.39763	2.4
174.77756	2.2
229.49088	2.2
329.65759	2.8
354.45987	2.4
399.36322	18.2
400.37000	3.6
425.33994	3.0
443.35339	100.0
444.35736	13.6
487.34299	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	488.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07732	1.4
59.01253	100.0
69.64839	9.9
71.01257	21.2
71.69749	1.4
73.02822	3.4
78.95757	1.6
83.01263	3.0
85.02817	3.8
87.00793	1.7
89.02329	15.9
94.02872	2.7
95.01247	4.0
96.96841	3.9
97.02848	1.6
98.02354	15.8
99.00754	2.3
99.01851	2.5
101.02328	13.6
102.01860	2.8
107.01231	2.8
110.02361	20.1
111.00735	3.3
113.02338	9.0
119.03384	7.2
120.27281	1.4
121.02833	2.6
123.00799	3.1
125.02343	11.8
129.01837	1.8
137.02338	2.8
139.00302	2.1
159.02859	3.5
161.04427	6.2
166.99780	2.0
169.00137	1.5
169.01335	9.6
179.05502	3.5
189.01820	1.9
203.22948	1.5
217.01437	1.8
266.17679	10.5
300.99841	5.4
314.32388	1.5
321.52704	1.6
323.81995	1.6
428.22830	4.9
440.62888	1.5
453.30142	1.7
489.19788	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19179	0.5
51.65897	0.5
55.01747	0.7
57.03334	0.5
59.01252	100.0
60.01595	1.6
61.98703	3.4
63.74686	0.5
66.17060	0.5
69.49057	2.9
69.49458	1.4
71.01256	8.3
72.99177	0.7
73.02819	2.5
83.01268	1.5
85.02809	3.0
87.00755	0.7
89.02328	1.8
95.01285	0.8
96.95895	1.3
99.00760	1.2
101.02322	5.3
107.01312	0.8
111.00761	0.7
113.02296	3.0
114.02676	0.5
123.00785	3.5
124.01530	0.5
125.02350	4.1
135.32172	0.5
139.00269	0.8
140.01138	1.0
141.01863	0.5
151.00308	2.3
153.05467	0.5
155.66589	0.5
159.02818	0.6
161.04486	4.6
168.00610	1.0
169.01337	4.8
173.77974	0.6
209.11736	5.6
265.18085	6.2
266.18170	0.6
274.01208	1.1
299.99045	2.5
300.99948	1.1
351.00302	0.5
353.91580	0.5
427.27246	4.4
441.11407	1.2
485.14301	1.1
487.12463	1.4
487.21899	16.9
487.28867	2.0
488.22382	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	487.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05619	1.2
55.01759	2.5
57.03325	7.8
59.01251	57.5
71.01254	26.0
71.04898	1.3
73.02824	6.6
75.00748	3.7
79.05363	1.3
83.01270	3.8
83.04910	5.0
85.02835	12.0
87.00748	11.5
89.02333	4.4
91.15388	1.2
95.01277	2.9
97.06499	1.3
99.00791	3.2
101.02335	18.2
107.01262	1.7
107.04908	7.2
109.06520	1.3
111.00749	2.7
111.90439	1.5
113.02317	9.8
120.05702	5.6
123.00732	7.2
125.02335	7.4
127.17988	1.2
133.10216	1.6
134.98734	1.5
135.04414	5.1
135.11732	1.7
139.00200	1.9
140.01064	2.2
151.00296	3.6
152.04703	1.3
155.07068	3.8
157.06493	1.8
159.02931	2.2
159.08067	2.0
161.04468	10.2
161.09642	27.7
161.13287	13.1
162.09987	2.4
162.13478	1.5
163.11249	2.3
168.00546	3.1
169.01329	12.7
179.10712	5.8
183.02901	5.8
187.11220	37.5
188.11546	2.6
189.09148	25.5
190.09602	1.7
203.10582	1.2
205.12289	15.5
207.10197	10.9
211.94022	1.6
223.13409	2.2
237.06152	3.1
237.09761	19.7
248.92888	1.4
249.11217	8.0
264.19922	1.4
267.12354	8.8
271.04578	1.5
300.99683	1.8
343.13922	2.4
349.18704	2.0
469.20239	2.3
487.21878	100.0
488.22137	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	487.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46585	1.0
57.03321	5.0
59.01253	47.5
69.36972	3.8
69.37396	7.4
71.01254	20.8
71.04883	1.3
73.02822	6.4
75.00747	1.3
81.32082	1.1
83.01261	4.4
83.04906	3.3
84.43095	1.1
85.02817	9.6
85.06409	1.3
87.00752	9.7
89.02316	3.3
95.01263	3.2
97.02828	1.7
98.15145	1.1
98.19801	1.6
99.00764	2.3
101.02329	17.4
107.01298	1.8
107.04897	7.8
111.00735	1.2
113.02322	8.1
119.03393	1.9
120.05708	4.4
123.00780	4.8
125.02345	7.1
130.06573	1.2
135.04433	3.2
135.08081	1.8
135.11681	1.6
137.02345	2.3
139.00255	1.8
140.01093	1.2
146.07242	1.7
147.04401	1.6
151.00319	2.1
152.04660	2.4
157.06503	1.4
159.02985	1.7
159.08063	1.3
161.04453	8.4
161.09634	23.8
161.13240	17.7
163.11235	2.5
165.01859	4.0
168.00604	2.4
169.01413	5.8
179.03395	3.2
179.10690	4.8
180.04192	2.4
187.11214	34.6
188.11534	2.6
189.09140	21.2
195.06580	7.6
203.10707	2.2
205.12265	15.0
207.10251	3.6
223.13312	2.0
237.09799	16.4
249.11246	8.3
267.12347	13.1
285.04102	1.2
343.13953	2.3
359.13107	1.2
432.22482	1.2
487.21829	100.0
488.22208	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	487.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	1.6
57.03327	2.6
59.01255	80.8
66.96236	1.8
69.03297	2.9
69.27306	18.5
71.00891	3.2
71.01257	42.7
71.01630	1.4
72.99165	2.9
73.02815	9.6
80.96383	4.4
83.01250	6.1
85.02832	13.7
87.00735	3.6
89.02326	33.9
93.03336	11.7
95.01248	5.6
97.02800	2.7
101.02332	30.5
107.01265	4.9
109.02765	2.3
111.00752	4.4
111.04414	2.0
113.02313	15.1
119.03389	10.1
119.04887	4.3
123.00775	17.3
125.02335	28.4
125.05952	2.1
131.03383	2.0
134.03616	2.3
135.04388	6.2
137.01494	1.8
137.02371	16.5
139.00298	4.3
140.01033	2.0
143.03404	4.4
146.02383	2.4
148.05200	16.8
151.00301	10.5
152.01100	2.3
155.03354	2.1
155.07048	13.8
155.10698	7.4
159.02846	2.4
161.02335	8.2
161.04478	15.6
163.03935	2.7
163.07574	9.0
167.03424	3.6
168.00566	4.4
169.01361	24.5
173.11731	9.1
179.03433	2.5
179.05531	3.6
211.02377	7.7
221.06522	3.8
247.02545	1.9
255.02942	2.1
271.04617	6.8
289.09268	4.2
299.98938	2.0
300.99783	7.8
335.17087	40.3
336.17322	2.3
469.16959	2.6
483.78299	2.2
487.18118	100.0
488.18408	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	487.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00266	1.2
52.39160	1.7
55.01754	3.0
57.03319	6.4
59.01254	49.1
59.85368	1.4
69.40274	11.0
69.40681	2.1
71.01255	27.8
73.02827	10.4
75.00735	2.7
83.01263	5.4
83.04904	5.2
85.02817	10.4
87.00746	11.9
89.02311	5.1
95.01286	2.4
96.60762	1.4
97.06479	2.9
98.19814	3.4
99.00730	2.5
101.02322	23.5
107.01279	2.4
107.04940	7.3
113.02343	11.5
117.03345	6.7
119.04912	5.1
120.05686	6.8
123.00769	4.8
125.02358	13.5
133.02878	12.2
134.03693	2.0
135.04414	28.3
135.11665	1.7
136.04733	2.0
139.00262	3.4
141.05595	1.7
143.03397	1.8
145.02855	12.5
146.07393	1.4
149.06013	2.1
151.00282	3.8
152.04727	2.9
153.05482	1.8
155.07062	3.8
157.06406	2.0
159.02921	1.6
159.08144	1.7
159.11673	1.5
161.02361	40.4
161.04388	11.5
161.09637	31.2
161.13284	20.0
162.02751	2.1
162.09955	2.4
162.24568	1.5
162.88858	1.4
163.03877	2.1
163.11230	2.1
164.89798	1.3
168.00571	4.1
169.01349	17.2
170.01764	1.9
171.08125	1.5
174.06807	1.7
177.05537	3.6
179.03424	26.9
179.10683	5.3
180.03796	2.1
183.02943	26.2
187.11224	43.5
188.11491	4.1
189.09166	26.6
203.10713	3.7
205.12306	21.8
206.12628	1.8
207.10211	5.0
220.91132	1.5
221.04541	6.2
223.13220	1.8
231.10208	2.9
234.91270	1.5
237.09747	21.2
247.02480	1.9
249.11263	10.7
250.11674	2.0
251.05557	7.3
267.12369	16.6
281.06696	8.8
285.04007	2.0
295.39969	1.7
301.00015	1.6
301.03436	2.0
323.07645	7.4
335.04337	2.0
341.08691	7.0
343.13959	2.4
380.09653	1.8
399.71527	1.6
465.07486	1.6
465.43625	1.5
487.12720	7.0
487.21878	100.0
488.22183	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	487.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	16.3
70.72291	8.4
70.72642	11.7
71.01273	11.8
89.02316	15.4
96.95898	11.5
101.02312	8.0
119.03373	7.3
125.02356	25.6
127.65227	4.9
153.84596	4.6
169.01370	26.2
177.30173	4.5
191.98294	6.3
211.02332	22.9
257.04419	4.9
271.04666	31.4
295.77554	4.9
335.13483	23.8
337.36401	5.5
401.79364	5.5
404.72339	4.8
415.95392	5.6
487.14871	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	485.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83907	0.6
59.01249	5.2
69.03314	1.0
71.01259	5.4
71.04904	1.6
71.57283	0.8
83.31067	0.7
85.02830	0.8
87.04374	1.3
89.02319	4.0
96.95898	2.2
99.08106	1.0
101.02311	1.5
113.02333	1.6
121.06479	0.9
137.05963	2.0
138.15221	0.8
152.99512	0.8
153.01608	2.0
155.07033	2.0
167.10721	7.4
168.49156	0.8
179.05487	1.2
233.15469	2.7
246.05006	0.8
255.23064	1.1
257.23950	0.7
295.22647	0.9
301.21664	1.2
313.24194	1.1
341.28769	0.7
355.30203	3.6
374.35672	0.8
391.22443	1.8
397.31577	0.9
407.25641	0.8
421.27094	2.3
423.28555	34.4
424.28925	5.0
441.29300	5.7
441.35138	1.2
467.27563	2.2
485.27985	100.0
486.28452	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2887
Annotation	Tubelactomicin A
Peak:m/z	Relative Intensity
59.01224	2.3
69.28330	4.8
69.28740	1.2
71.01267	3.0
75.61514	0.6
85.06429	0.7
89.02326	3.6
96.95848	1.3
97.06415	0.6
98.19804	1.1
99.08018	0.9
101.02304	0.9
102.87265	0.6
111.08034	0.6
113.02287	0.8
119.03369	1.1
128.26527	0.7
129.67950	0.5
131.03342	0.9
137.05907	2.1
153.01517	1.9
153.02707	0.7
155.06958	2.5
161.80122	0.6
167.09521	0.6
167.10698	7.6
179.29021	0.6
255.22998	0.8
256.23517	1.0
257.23755	0.7
341.28323	0.8
345.93942	0.6
353.28201	0.8
355.30017	4.4
391.22269	2.1
421.27237	1.0
423.28580	30.1
424.28922	3.9
438.23492	1.0
441.29489	5.5
467.27194	2.8
485.28494	100.0
486.28882	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	487.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03398	0.7
55.01768	1.2
59.01255	5.1
60.18524	0.9
60.84263	0.8
67.01762	1.9
69.03315	2.8
70.44601	3.2
71.01256	10.5
73.02825	4.6
79.01762	2.4
81.03320	2.3
82.32490	0.9
83.01257	6.2
83.04900	7.4
85.02831	3.1
85.74177	1.0
89.02322	3.5
93.03336	22.4
95.01274	5.0
95.04916	1.1
97.02826	2.6
99.00764	2.5
99.04442	1.1
101.02320	3.9
107.01275	14.2
107.04910	3.6
109.02833	6.4
111.00777	8.4
111.04404	32.2
113.02325	4.2
123.00774	33.3
123.04420	1.9
125.02335	53.4
125.05978	1.8
126.02673	1.8
135.04401	3.3
137.02357	6.6
139.00241	5.6
139.03905	1.8
140.01033	3.6
141.01851	6.6
145.25317	0.7
151.00278	19.9
151.03867	2.4
153.01859	4.7
153.05486	2.3
155.03407	16.8
165.01837	1.1
167.03397	1.9
168.00580	5.9
169.01338	100.0
170.01698	4.4
173.04466	10.7
179.03336	2.1
183.02890	2.2
193.01370	2.4
197.04488	3.7
211.02432	15.9
212.02745	1.0
215.05595	1.1
253.03484	1.8
262.13675	0.8
271.04736	3.7
313.05731	9.8
331.06711	49.2
332.07056	3.3
409.07751	1.2
411.40179	0.9
451.08850	7.3
469.09857	45.3
470.09970	5.1
487.10910	37.9
488.11475	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	487.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32883	2.0
59.01255	9.0
67.01785	2.1
69.03360	2.1
71.01260	11.9
71.57175	3.2
73.02818	5.7
80.47268	1.7
81.03343	2.1
83.01237	3.6
83.04889	4.6
84.45895	1.7
85.02822	3.3
88.15121	2.2
88.27026	1.8
89.02337	8.8
89.39102	2.0
93.03331	16.3
95.01270	4.4
97.02847	4.0
99.00761	4.8
101.02318	5.7
107.01273	12.6
109.02847	6.1
111.00742	6.6
111.04407	32.3
113.02334	4.1
123.00767	31.9
125.02345	51.9
125.06025	2.1
127.54977	1.9
135.04453	3.7
137.02373	9.5
139.00264	6.4
140.01065	2.5
141.01826	4.3
145.06027	3.2
151.00261	17.0
153.01836	3.1
153.05452	3.0
155.03372	16.2
165.01851	2.8
168.00542	8.2
169.01344	100.0
170.01741	4.6
173.04478	11.9
173.35342	2.1
179.03630	2.0
179.24001	2.0
181.63116	1.7
191.03229	1.9
191.05539	6.0
193.01347	3.0
193.05037	3.0
197.04529	4.6
211.02463	20.3
212.02765	2.1
237.03958	6.6
245.58536	1.8
271.04568	7.9
281.02847	4.8
313.05630	6.7
325.05667	2.5
331.06708	41.0
332.07007	3.0
451.08682	4.7
469.09903	33.5
470.10178	5.0
487.09943	28.4
488.11511	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01731	1.5
57.43196	1.6
59.01251	44.6
69.30023	14.2
70.22211	1.2
71.01256	28.4
72.56560	1.4
72.99168	3.5
73.02792	2.5
82.95287	1.4
83.01239	2.5
85.02820	6.4
87.00716	2.0
89.02319	28.5
95.01244	4.7
97.02818	1.7
98.20557	3.5
99.00758	1.9
101.02317	19.3
107.01257	3.2
109.02819	4.0
111.00778	2.3
113.02316	11.9
117.03341	2.6
119.03407	11.0
123.00764	4.9
125.02331	13.1
129.05484	1.9
132.02113	1.6
133.02852	22.1
134.03676	7.2
135.04420	94.4
136.04721	2.6
137.02293	4.9
139.00238	2.7
139.03923	2.3
140.01155	1.6
141.55687	1.3
143.03386	1.7
148.05157	2.2
149.05992	17.4
151.00293	2.4
159.04416	1.9
161.02356	79.6
162.02725	3.3
163.00188	1.9
166.99768	2.9
168.00574	2.6
169.01338	16.0
170.01666	1.9
171.04433	2.3
175.03911	5.1
177.04018	2.8
177.05478	28.4
179.03426	77.1
180.03673	2.7
189.01720	1.4
203.03406	2.9
221.04492	33.9
233.04399	1.5
251.05629	21.1
271.04620	2.2
281.06656	37.8
282.06934	2.1
296.00494	1.8
299.99121	3.1
300.99652	2.1
309.11896	10.1
315.01453	7.2
323.01993	3.5
323.13467	86.8
324.13855	7.8
324.99765	3.6
325.03265	1.8
326.00421	1.9
341.08713	10.2
352.99219	5.6
353.03040	2.3
369.02374	3.1
397.01810	2.1
413.01523	14.1
484.99994	6.2
485.16568	100.0
486.16867	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	485.203
Annotation	DHP-mOx-NS-DHB
Peak:m/z	Relative Intensity
51.08848	0.6
55.01737	0.9
57.03311	0.6
59.01256	12.8
61.98690	2.2
67.01752	1.2
68.99692	0.9
69.03339	0.9
71.01255	7.9
72.99177	1.2
73.02818	0.9
79.01772	1.5
83.01249	1.2
85.02829	2.8
87.00712	0.7
89.02307	2.8
95.01254	3.4
97.02808	0.7
98.19754	1.2
101.02312	2.6
103.83768	0.6
107.01274	8.2
109.99973	0.8
111.00771	4.1
113.02367	2.9
119.03431	0.7
123.00777	22.3
124.01547	1.8
125.02345	34.4
126.02673	1.0
127.00249	1.7
128.30653	0.6
136.98717	2.8
139.00267	5.9
140.01070	5.6
141.01839	2.8
151.00282	12.4
153.01839	0.6
154.99712	0.7
167.03418	1.3
168.00555	10.2
169.01344	46.4
170.01691	1.4
183.02905	0.7
211.02449	46.1
212.02808	1.8
229.70996	0.8
241.03510	2.7
271.04593	84.0
272.04941	3.3
313.00095	0.6
313.05728	1.0
331.06708	7.3
485.20294	100.0
486.20590	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	485.2031
Annotation	DHP-mOx-NS-DHB
Peak:m/z	Relative Intensity
51.13552	0.3
55.01745	0.5
56.14510	0.3
59.01258	5.5
61.98718	0.5
63.21314	0.4
64.18992	0.4
67.01754	1.2
68.99704	0.5
69.03335	0.9
71.01256	3.9
71.57902	0.4
72.99180	0.8
73.02815	1.4
79.01767	1.5
80.07997	0.4
81.03354	0.4
83.01246	1.2
85.02813	2.5
87.00745	0.5
89.02320	0.8
95.01278	3.0
97.02818	1.1
99.00771	0.7
101.02311	2.5
107.01286	4.3
109.02833	0.5
109.99994	0.6
111.00766	3.2
113.02340	1.6
121.02907	0.4
123.00773	19.9
124.01614	0.9
125.02341	17.1
126.02722	0.8
127.00249	1.2
135.04384	0.5
136.98695	2.5
139.00279	5.1
140.01057	4.6
141.01854	3.2
147.04399	0.4
151.00282	11.7
153.01878	1.0
153.05513	0.5
155.07039	1.1
161.04428	0.6
163.03841	0.5
165.01865	0.9
166.99715	0.5
168.00560	4.5
169.01344	22.4
170.01610	1.1
177.01830	1.3
182.21664	0.4
206.75072	0.4
211.02432	1.5
271.04636	1.6
283.72137	0.4
299.99225	0.7
300.99924	1.2
313.05685	1.0
315.01486	0.5
352.99210	0.7
413.01447	0.9
455.19281	0.5
485.20309	100.0
486.20703	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	485.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13552	0.3
55.01745	0.5
56.14510	0.3
59.01258	5.5
61.98718	0.5
63.21314	0.4
64.18992	0.4
67.01754	1.2
68.99704	0.5
69.03335	0.9
71.01256	3.9
71.57902	0.4
72.99180	0.8
73.02815	1.4
79.01767	1.5
80.07997	0.4
81.03354	0.4
83.01246	1.2
85.02813	2.5
87.00745	0.5
89.02320	0.8
95.01278	3.0
97.02818	1.1
99.00771	0.7
101.02311	2.5
107.01286	4.3
109.02833	0.5
109.99994	0.6
111.00766	3.2
113.02340	1.6
121.02907	0.4
123.00773	19.9
124.01614	0.9
125.02341	17.1
126.02722	0.8
127.00249	1.2
135.04384	0.5
136.98695	2.5
139.00279	5.1
140.01057	4.6
141.01854	3.2
147.04399	0.4
151.00282	11.7
153.01878	1.0
153.05513	0.5
155.07039	1.1
161.04428	0.6
163.03841	0.5
165.01865	0.9
166.99715	0.5
168.00560	4.5
169.01344	22.4
170.01610	1.1
177.01830	1.3
182.21664	0.4
206.75072	0.4
211.02432	1.5
271.04636	1.6
283.72137	0.4
299.99225	0.7
300.99924	1.2
313.05685	1.0
315.01486	0.5
352.99210	0.7
413.01447	0.9
455.19281	0.5
485.20309	100.0
486.20703	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	485.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46727	0.4
55.01736	0.4
57.03307	0.3
58.00457	0.4
59.01250	11.1
66.72549	0.3
67.01763	1.2
67.06380	0.3
69.03320	0.6
70.44224	1.1
71.01256	8.0
72.99185	1.2
73.02821	0.4
75.00761	0.4
79.01801	0.5
79.05402	0.8
81.03336	0.4
83.01261	0.8
85.02833	1.4
87.00736	0.6
89.02321	7.2
91.05392	1.8
93.03343	1.0
95.01266	1.6
97.02852	0.8
97.06477	0.7
101.02330	5.0
107.01269	6.1
107.04917	1.2
109.06477	9.1
109.99992	0.6
111.00769	2.6
113.02319	3.4
119.03393	2.8
123.00771	6.5
123.04424	0.5
124.01545	3.2
125.02340	36.5
126.02645	1.4
127.00283	0.9
135.04401	0.4
136.98721	1.9
137.02307	0.5
139.00276	3.8
139.03885	0.9
140.01067	4.0
141.01895	0.7
143.03400	0.4
149.02328	0.4
149.04395	0.5
151.00298	3.1
151.04002	0.3
153.05482	1.3
154.99751	0.5
161.02362	0.3
161.04449	0.6
165.01819	0.8
166.99768	1.0
167.03423	1.7
168.00557	16.3
169.01343	54.0
170.01677	2.7
171.01764	0.4
171.06561	0.9
175.03928	0.5
177.04025	2.0
179.05554	0.9
193.01364	0.7
203.03436	0.7
211.02429	75.9
212.02774	3.6
241.03497	2.1
247.02359	0.4
253.03462	0.4
271.04590	100.0
272.04950	5.8
275.01852	0.5
300.99854	1.9
302.00098	0.5
313.05710	1.4
329.05209	1.0
331.06705	10.1
332.07135	0.4
333.11902	6.0
382.88571	0.4
425.10864	0.4
467.11832	1.8
485.13031	82.5
486.13351	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	485.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	12.0
70.98098	8.8
71.01239	11.7
73.02831	5.5
81.66248	3.6
83.01293	3.1
85.02821	6.0
87.00732	4.2
89.02312	12.9
93.03334	8.6
96.24308	3.2
101.02332	12.9
107.01278	10.0
109.02793	3.8
109.06458	7.1
113.02328	4.7
119.03371	6.3
123.00792	10.8
124.01517	4.6
125.02338	67.3
126.02671	7.4
163.03923	7.0
168.00539	12.8
169.01337	100.0
170.01654	12.2
173.04564	8.2
175.03949	3.8
177.05402	3.7
191.05569	7.3
193.01335	9.5
202.15666	3.5
203.03474	8.2
205.04987	11.2
211.02434	62.9
212.02623	5.2
215.03383	3.9
231.02872	7.5
243.03059	3.9
245.01163	4.2
247.02501	7.3
249.03964	20.3
271.04572	66.7
272.05005	8.8
275.02066	10.2
291.00983	4.0
300.99905	42.1
302.00272	5.2
331.06586	8.0
337.01938	4.7
408.78265	3.8
439.27631	3.2
485.13101	66.4
486.13324	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	483.273
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
52.26531	0.5
78.95778	17.6
96.96867	1.3
150.98024	0.6
152.99495	32.8
171.00584	1.4
185.19934	0.5
227.03192	3.8
229.70854	0.5
245.04214	1.0
255.23273	100.0
256.23627	9.3
391.22464	0.9
483.27151	46.7
484.27472	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	483.273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70918	0.2
54.92118	0.3
70.90754	0.7
78.95777	11.2
96.96842	0.9
108.68535	0.3
150.97859	0.4
152.99489	17.7
153.99858	0.4
171.00542	1.1
194.92352	0.3
227.03210	3.7
245.04230	1.4
250.73843	0.3
255.23270	100.0
256.23611	9.6
256.26370	0.4
483.27274	25.3
484.27576	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	483.2963
Annotation	Mucronine J
Peak:m/z	Relative Intensity
50.76725	0.4
51.06241	0.4
55.01762	4.9
57.03325	3.4
58.00462	1.0
58.15342	0.3
59.01253	19.9
68.99693	0.5
69.03337	0.8
71.01254	55.1
71.58006	0.5
72.01574	0.5
72.99188	1.6
73.02818	21.2
75.00755	2.0
81.03329	0.7
83.01256	10.1
83.04909	0.8
85.02822	30.8
85.99972	1.2
86.03181	0.6
87.00755	2.5
89.02312	4.2
95.01259	4.7
97.02815	2.1
99.00763	8.7
100.76131	0.4
101.02319	40.5
102.02621	0.6
111.00769	2.2
113.02326	24.4
114.02688	0.7
115.78742	0.4
119.03367	0.9
121.02824	0.5
125.02351	1.9
129.01839	1.9
143.03389	2.5
159.02910	6.2
161.04463	25.6
162.04773	0.9
169.01401	0.8
205.03470	0.9
261.82727	0.4
303.23364	1.2
321.24414	1.7
365.23575	0.7
382.14508	0.5
437.23438	0.5
443.51682	0.4
453.28906	0.8
483.29611	100.0
484.29941	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	483.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	4.1
57.03316	2.8
59.01252	84.1
60.01571	1.2
61.98713	15.0
68.99678	2.8
71.01258	36.3
71.07058	2.6
71.07407	1.7
72.99184	2.8
73.02824	15.1
83.01244	7.5
83.04917	2.2
83.51582	1.2
85.02825	22.2
87.00758	3.6
89.02316	9.6
95.01265	4.2
97.02862	1.6
97.96086	1.2
99.00773	8.2
100.01807	1.4
101.02331	46.1
109.06549	1.3
111.00745	2.7
111.24045	1.2
113.02342	16.7
119.03379	2.3
123.00800	2.2
125.02344	10.5
125.05957	1.4
131.03401	43.5
133.02890	1.4
136.07408	1.2
138.01814	1.5
143.03439	2.8
151.00252	2.5
153.05333	1.2
153.42186	1.3
159.02882	3.4
161.04472	20.4
166.99861	1.4
169.01323	9.0
171.06540	2.5
183.02950	1.2
187.52237	1.2
189.09145	1.5
195.20697	1.3
199.32785	1.3
211.02411	1.5
291.18152	100.0
292.18576	6.1
300.99823	2.1
423.22382	15.8
483.18378	9.2
483.29764	1.9
484.18942	1.3
493.53937	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84723	3.1
54.83131	2.6
57.87024	2.8
59.01252	34.1
69.43260	6.2
69.43669	23.4
71.01247	27.9
72.99187	3.1
78.95774	9.0
83.04897	5.7
84.66607	2.9
85.06468	3.3
87.00756	7.1
89.02317	33.6
93.07027	3.4
97.06482	2.9
101.02326	13.2
111.99007	3.0
113.02323	11.3
119.03386	5.7
120.79485	2.8
121.10110	45.5
125.02385	8.1
137.05997	10.8
152.99490	4.6
155.07074	17.3
161.04526	3.8
165.09120	100.0
169.01317	11.0
179.05594	5.1
207.26187	3.6
245.04292	5.1
246.04527	3.8
247.04727	4.4
253.21663	4.8
254.22003	3.6
255.22495	4.1
301.00018	3.4
324.86008	3.4
363.02026	3.1
376.91840	3.1
381.27768	3.7
394.29919	3.2
439.32690	8.2
455.17010	4.1
465.30499	4.4
475.00568	3.3
483.16745	7.3
483.31610	71.4
484.31348	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	483.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.2
57.03316	1.8
59.01251	47.7
61.98692	3.5
69.51828	1.0
69.78458	1.9
69.78851	7.4
71.01258	27.2
72.99180	2.2
73.02818	11.9
75.00739	2.5
81.04398	1.0
82.82381	1.0
83.01247	9.5
85.02823	16.5
86.41418	1.0
87.00749	2.8
89.02308	5.9
95.01255	4.6
97.02817	1.9
99.00745	5.6
101.02322	30.0
103.03922	1.4
107.01263	5.0
111.00760	5.8
113.02328	12.3
114.47391	1.2
119.03415	1.0
123.00780	13.6
124.01568	4.0
125.02346	22.8
126.02702	2.4
127.00274	1.2
129.01799	1.2
131.03343	1.8
136.98682	2.7
139.00235	6.6
140.01077	7.6
141.01782	1.4
143.03430	1.6
151.00291	9.7
159.02890	1.9
161.04456	8.6
166.99767	1.2
168.00552	8.5
169.01350	30.0
170.01697	1.8
171.01793	1.2
175.03903	1.9
177.03955	2.4
181.01234	1.4
211.02470	3.7
231.78036	1.0
271.04623	3.5
277.16568	45.7
278.16779	3.0
291.18118	6.4
292.12979	1.2
301.00000	2.2
308.85376	1.3
319.11911	3.3
320.12231	4.9
321.12381	7.2
378.61755	1.2
423.22363	50.8
423.28110	2.8
424.22668	5.8
463.46075	1.1
483.18594	100.0
484.19003	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	483.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97297	1.2
55.01759	1.6
58.00471	3.1
59.01253	75.3
61.98702	11.6
63.13087	1.1
67.03216	1.2
68.99686	3.3
69.03336	1.8
71.01256	61.7
71.57949	1.6
71.58366	1.4
72.01614	1.5
72.99195	3.7
73.02818	19.9
74.15802	1.3
83.01250	2.2
83.04887	1.6
85.02827	10.3
87.00771	2.2
89.02319	100.0
93.03347	1.3
95.01308	3.0
97.02847	1.6
99.00763	27.7
101.02327	43.0
102.02647	1.3
107.01260	2.0
109.06475	1.8
111.00764	2.0
113.02346	12.2
119.03399	7.5
123.00809	3.5
124.40801	1.3
125.02340	10.9
131.03387	21.2
143.03404	2.3
143.07071	2.1
149.04466	55.1
150.04820	1.8
151.00298	2.1
153.05495	3.8
155.07118	1.8
158.81500	1.4
161.04495	8.5
169.01346	6.9
171.04970	1.4
171.06573	5.3
179.05463	2.1
191.05539	14.4
211.02316	1.6
221.06616	2.2
251.07692	1.9
274.68512	1.5
291.18124	9.9
300.99872	3.2
319.68701	1.4
368.89792	1.6
429.08301	2.0
447.22336	17.6
483.18805	15.9
484.19217	2.9
498.25635	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	483.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	30.3
67.96498	6.8
69.86098	30.6
69.86518	16.2
70.63754	6.3
71.01261	29.0
72.99224	8.6
89.02332	33.0
101.02314	14.5
121.10143	51.3
125.02325	17.2
137.05972	13.7
155.07098	13.8
165.09105	24.9
169.01344	21.7
179.05453	9.5
439.32260	26.8
483.31494	100.0
484.31635	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	483.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.5
59.01253	6.8
67.01759	1.2
68.99706	0.7
69.03336	1.1
69.25146	0.7
69.25549	2.9
71.01257	5.5
72.99190	1.0
73.02835	0.3
74.50935	0.3
75.00745	0.9
79.01756	1.6
81.03336	0.6
83.01252	1.1
85.02836	2.2
87.00773	0.7
89.02317	2.0
95.01263	3.5
96.99190	0.5
97.02824	1.2
101.02327	2.4
107.01273	7.1
109.99979	0.6
111.00772	3.6
113.02341	1.6
119.03374	0.5
123.00777	20.6
124.01571	3.4
125.02343	34.3
126.02675	0.8
127.00266	1.7
135.04379	0.4
136.98705	2.2
137.02327	0.3
139.00288	5.9
139.03867	0.7
140.01064	6.6
141.01860	2.8
151.00285	10.9
151.03830	0.3
152.00656	0.5
153.01863	0.8
154.99806	0.4
165.01842	0.5
166.99762	0.7
167.03413	1.1
168.00580	8.9
169.01352	44.4
170.01659	2.1
177.03970	2.7
179.03421	0.4
183.02913	0.6
211.02437	29.6
212.02895	1.5
220.03218	0.3
241.03650	0.8
271.04599	23.9
272.04880	1.8
313.05692	0.5
321.13416	0.4
329.04965	0.8
331.06784	0.7
363.14423	0.5
423.16675	0.5
483.18716	100.0
484.19049	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	483.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90562	0.2
55.01751	0.6
57.03329	0.6
59.01255	3.6
65.00204	0.4
66.58269	0.2
67.01761	1.1
67.28590	0.2
67.97090	0.2
68.99694	0.4
69.03328	0.9
71.01258	4.7
72.99181	1.0
73.02818	1.1
75.00742	0.5
79.01764	0.9
81.03297	0.3
83.01245	1.1
85.02833	2.0
85.39623	0.2
87.00739	0.6
89.02337	1.2
95.01273	2.1
96.99183	0.3
97.02824	1.0
98.19762	0.6
98.54763	0.2
99.00748	0.8
101.02330	2.3
107.01279	4.6
107.04961	0.2
109.02833	0.5
109.99992	0.5
110.37637	0.2
111.00068	0.3
111.00766	3.6
113.02351	1.4
119.03391	0.5
123.00777	15.4
124.01678	1.2
125.02344	18.9
126.02655	0.8
127.00265	1.3
129.01834	0.3
136.98694	2.0
137.02324	0.5
139.00276	5.4
139.03912	0.7
140.01065	4.7
141.01871	1.9
145.02794	0.2
151.00282	7.8
151.03860	0.3
152.00494	0.2
153.01840	0.7
153.05447	0.3
154.99800	0.6
161.02362	0.2
163.03925	0.5
165.01898	0.3
165.05534	0.3
166.99773	1.2
168.00558	6.2
169.01346	22.0
170.01686	1.1
175.03842	0.3
177.03955	2.0
179.03308	0.3
181.01289	0.3
181.04936	0.3
191.03539	0.4
193.01308	0.4
203.03383	0.2
207.41127	0.2
211.02423	3.4
229.66447	0.4
253.03557	0.3
262.00690	0.3
262.82202	0.2
266.04495	0.3
269.50562	0.2
270.03775	0.3
271.04556	1.2
298.98462	0.2
299.01828	0.3
300.99860	0.7
313.05756	1.2
329.05203	0.5
439.10547	0.3
483.18723	100.0
484.08350	0.6
484.19061	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1873
Annotation	Sachalinoside A
Peak:m/z	Relative Intensity
53.98918	0.6
55.01763	1.1
57.03335	0.7
58.00467	1.2
59.01253	25.8
61.98690	3.0
62.57514	0.6
67.01771	1.1
68.99668	1.4
69.03316	1.1
69.28016	7.8
71.01255	14.7
72.99174	2.3
73.02821	4.5
73.16544	0.6
73.85213	0.6
83.01238	3.4
85.02825	5.4
87.00719	1.8
89.02314	8.2
95.01261	3.2
97.02851	1.3
99.00776	1.0
101.02325	11.4
107.01269	5.8
111.00774	4.3
113.02351	6.1
119.03398	1.0
123.00778	15.3
124.01537	1.7
125.02337	27.4
126.02628	1.0
127.00265	1.6
131.03398	9.0
136.98677	3.1
139.00259	6.9
139.03835	1.2
140.01054	5.6
141.01820	2.7
149.04440	1.8
151.00284	9.5
157.91685	0.7
159.02899	0.9
161.04439	3.9
167.03329	0.8
168.00572	9.1
169.01343	39.6
170.01703	1.2
171.06558	1.2
182.19301	0.8
183.02916	1.0
191.05547	1.2
193.01385	0.9
211.02431	24.4
212.02750	1.1
271.04596	46.5
272.04929	3.2
273.00531	1.0
276.17477	0.7
277.18094	2.8
291.18146	16.6
292.18515	1.7
300.99829	1.9
303.12387	7.1
305.13974	1.7
313.05508	1.5
321.13638	1.4
331.06689	4.4
389.69998	0.8
397.05533	2.3
415.12427	1.7
423.22250	4.4
429.08286	3.2
453.66507	0.8
483.18695	100.0
484.12512	3.1
484.19113	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1872
Annotation	Globulusin A
Peak:m/z	Relative Intensity
57.03311	0.6
59.01259	3.5
61.66748	0.4
67.01762	1.6
69.03319	1.0
69.53618	1.6
69.54044	2.2
71.01262	3.1
71.01608	0.5
72.99200	0.5
73.02828	1.6
75.78309	0.5
79.01759	1.3
83.01258	1.6
85.02833	2.1
89.02309	0.5
89.11930	0.6
93.03352	0.5
95.01246	2.9
97.02833	0.5
101.02338	2.9
107.01271	4.6
111.00780	4.2
113.02350	1.1
113.66389	0.5
123.00775	24.7
124.01562	1.4
125.02344	20.9
126.02680	0.9
127.00286	1.1
136.98709	2.7
139.00285	6.8
140.01080	6.7
141.01837	3.8
145.53824	0.5
151.00281	13.9
151.01514	0.8
152.00648	0.6
153.01855	1.1
163.03932	0.6
168.00572	5.6
169.01353	23.2
170.01698	1.3
288.83856	0.7
313.05554	0.7
353.72018	0.5
453.17575	2.0
465.18066	0.6
483.18716	100.0
484.19037	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	483.1872
Annotation	Globulusin A
Peak:m/z	Relative Intensity
55.01762	0.4
57.03310	0.4
58.00460	0.3
59.01250	5.3
60.31148	0.2
65.00204	0.5
67.01760	1.4
68.99691	0.4
69.03324	0.9
70.85100	0.2
71.01254	4.8
71.57822	0.3
72.01617	0.2
72.99188	1.0
73.02820	0.7
75.00743	0.6
79.01761	1.3
81.03365	0.3
83.01261	1.3
85.02824	2.2
87.00761	0.7
89.02309	1.9
95.01263	2.5
95.04917	0.2
96.99194	0.2
97.02870	1.2
97.03450	0.2
99.00768	0.4
101.02322	3.0
107.01273	5.3
108.02071	0.6
109.02863	0.8
109.06475	0.3
109.99974	0.5
111.00764	2.9
112.50181	0.2
113.02339	1.5
117.03402	0.2
119.03397	0.6
123.00773	17.9
124.00367	0.2
124.01546	1.0
125.02341	21.5
126.02652	0.8
127.00272	1.3
129.01836	0.2
129.09131	0.2
135.04440	0.3
136.98694	1.7
137.02347	0.5
139.00267	5.2
139.03838	0.2
140.01065	4.6
141.01837	2.7
143.03539	0.2
143.40714	0.2
145.02818	0.2
151.00278	10.3
151.03891	0.3
152.01079	0.8
153.01828	1.4
153.05515	0.4
154.99738	0.3
159.02988	0.3
160.01564	0.3
161.02267	0.2
161.04486	0.2
163.03915	0.4
165.01811	0.2
166.99751	0.6
167.03397	0.4
168.00568	4.3
169.01338	28.1
170.01674	1.6
175.03922	0.3
177.03973	2.4
179.03409	0.4
181.01305	0.2
181.04991	0.5
191.03287	0.2
193.01448	0.2
193.04965	0.2
211.02423	2.6
212.02734	0.2
223.02386	0.4
229.01434	0.3
241.03577	0.2
245.00861	0.2
248.90753	0.2
253.03532	0.2
259.41769	0.1
271.04596	1.9
297.06277	0.3
299.99127	0.3
300.99872	2.0
302.00204	0.7
303.16101	0.2
313.05734	0.9
316.99673	0.2
321.17038	0.5
329.05246	0.8
483.18704	100.0
484.19083	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37763	0.6
57.20223	0.5
59.01252	0.7
59.49816	0.5
69.03333	1.2
71.00615	1.0
71.01270	1.3
74.68559	0.6
79.01767	0.6
89.13062	0.5
95.01299	1.3
97.02841	1.9
107.01286	4.2
111.00764	1.7
118.96647	0.6
123.00793	2.9
124.01569	3.6
125.02340	100.0
126.02678	3.9
127.81294	0.6
138.19757	0.6
139.00275	1.8
140.01108	1.5
145.02821	0.6
151.00247	1.1
166.99883	1.1
168.00572	6.9
169.01343	73.1
170.01666	2.6
211.02438	4.3
271.04568	6.2
287.07742	20.3
288.08099	1.8
300.99875	3.5
302.00580	0.7
313.05676	11.7
314.05933	0.7
331.06699	31.4
332.07001	2.5
439.08774	42.3
440.09073	5.0
465.07025	1.7
483.07736	17.5
484.08371	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	483.0783
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.45164	0.6
59.01267	2.0
69.03335	2.0
71.01261	2.8
71.56561	0.7
72.53639	0.5
72.99182	0.8
77.09819	0.5
79.01795	0.9
81.03353	0.9
82.54645	0.6
83.01281	1.1
86.56638	0.7
89.02327	0.9
93.03354	0.8
93.30109	0.5
95.01265	2.1
97.02845	2.2
101.02332	1.0
107.01266	5.9
111.00780	1.0
112.98658	0.6
113.02378	0.7
119.04915	0.9
123.00782	5.0
124.01572	2.6
125.02338	100.0
126.02671	4.0
133.02856	0.8
137.02278	0.8
139.00256	1.4
140.01071	2.0
141.01892	1.3
149.99460	0.7
151.00304	3.3
161.02370	2.6
163.03995	0.8
166.99774	1.4
167.03444	0.7
168.00557	9.1
169.01340	91.4
170.01656	3.6
173.02312	0.7
175.03851	1.1
179.05472	0.7
189.01842	2.4
191.03337	1.5
193.01350	1.7
201.01907	0.8
203.03487	1.0
211.02420	6.7
217.01390	2.6
219.02927	1.2
229.01291	0.7
235.02347	0.6
245.00894	1.8
261.00348	4.1
262.00772	0.6
263.01898	2.2
271.04596	6.2
275.01886	0.9
277.02441	0.7
287.07733	16.8
288.08145	0.9
288.97464	0.6
288.99973	5.9
300.99854	6.9
302.00128	1.9
303.00449	4.2
313.05667	15.2
314.05780	1.7
331.06696	29.3
332.06967	2.2
423.05328	0.7
439.08707	29.3
440.09207	3.1
451.05182	3.6
462.73425	0.7
465.06818	1.2
483.07507	24.6
483.17685	1.0
484.08002	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	481.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	8.4
65.00182	0.8
67.01747	1.0
69.03288	0.7
71.01257	5.1
72.99178	1.2
75.00735	0.7
78.15894	0.8
79.01761	0.8
81.03324	0.9
83.01255	1.5
85.02819	1.6
87.00772	1.1
89.02322	1.7
93.03320	1.4
95.01257	2.6
97.02821	1.1
101.02328	2.1
107.01280	8.6
109.02885	1.2
109.99970	1.1
111.00757	3.9
113.02319	1.4
119.04908	0.8
123.00771	9.5
123.04421	1.0
124.01572	2.4
125.02345	38.0
126.02648	1.6
127.00256	1.5
135.04446	0.8
136.98695	2.0
137.02402	0.9
139.00294	4.9
140.01094	4.1
141.01929	1.0
145.02899	0.8
147.82727	0.9
149.02339	0.9
151.00281	4.1
152.00996	0.9
153.00580	2.4
153.01712	0.7
153.38882	0.8
161.02403	1.7
163.00134	0.9
163.03949	1.3
165.01840	1.7
166.99783	2.4
167.03436	5.7
168.00583	16.2
168.02831	1.5
169.01349	44.5
170.01659	1.6
175.03960	0.7
177.01883	1.4
178.99753	0.9
181.01369	1.1
189.01892	0.8
191.03436	1.4
211.02432	53.5
212.02777	2.3
217.01427	1.6
229.01332	1.1
231.02861	1.0
245.01151	0.9
247.02579	1.0
255.02858	1.2
259.02563	0.7
271.04608	100.0
272.05005	5.4
273.00381	1.9
275.01688	1.4
285.03711	0.9
287.02072	1.6
300.02725	1.3
300.99939	7.5
301.03201	1.4
307.08304	1.4
313.05698	3.3
315.01495	0.9
331.00848	1.1
331.06732	10.8
339.85660	0.7
422.93420	0.8
481.09729	3.6
481.17181	13.1
482.09912	1.6
482.17560	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	481.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
63.15992	0.7
76.99047	0.7
78.95776	44.9
85.50860	0.7
96.96815	3.5
99.81714	0.7
104.80457	0.8
125.58490	0.7
138.95590	0.8
152.99490	64.5
171.00554	16.8
211.04729	0.7
219.62714	0.8
227.03214	3.3
229.49901	0.9
239.83055	0.7
245.04294	100.0
246.04637	3.1
253.21707	56.2
254.22049	5.9
481.25696	24.0
482.26187	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	483.078
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
69.03330	1.1
69.48740	4.8
71.01251	0.9
83.11134	0.6
95.01260	1.1
97.02837	1.2
98.19739	1.2
98.29279	0.6
107.01295	3.5
123.00769	2.5
124.01551	3.1
125.02341	100.0
126.02687	3.0
139.00290	1.3
140.01009	0.6
141.01852	0.8
151.00267	1.4
166.99825	1.5
167.03380	0.7
168.00574	5.6
169.01350	83.4
170.01732	2.6
193.01288	0.7
194.99257	0.7
211.02461	2.1
271.04553	2.7
273.14456	0.7
287.07736	23.1
288.08035	1.4
301.00000	2.1
313.05667	11.6
314.06116	0.6
331.06717	33.6
332.06985	1.9
390.76648	0.5
439.08792	46.9
440.09143	6.0
465.06592	2.7
483.07739	10.6
484.08054	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	481.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29063	0.6
58.00443	0.6
59.01245	4.8
67.01768	1.0
68.99693	0.8
69.03328	2.1
71.01256	4.8
72.99187	1.0
73.02840	0.6
79.01765	1.3
83.01262	1.4
84.61298	0.5
85.02834	1.9
87.00733	0.8
89.02333	1.6
95.01266	2.5
97.02834	1.4
98.20591	0.8
101.02313	1.8
107.01277	9.5
111.00772	5.2
113.02357	1.2
120.41912	0.5
123.00782	18.0
124.01566	4.0
125.02340	44.3
126.02712	0.7
127.00278	2.0
136.98724	3.0
139.00269	7.8
139.03873	0.9
140.01071	9.0
141.01823	2.3
151.00304	9.9
153.01772	0.8
165.01880	0.7
166.99852	0.9
167.03450	2.0
167.10721	1.3
168.00572	18.5
169.01349	72.5
170.01682	2.7
177.03954	1.3
181.01346	0.9
183.02992	1.6
199.56554	0.8
211.02437	71.7
212.02821	3.8
241.03477	3.2
253.03549	0.7
270.03754	1.6
271.04596	100.0
272.04950	6.2
297.06198	1.5
313.05692	4.3
329.05045	1.1
330.05960	0.6
331.06729	5.2
376.93225	0.6
432.01379	0.6
468.11096	0.7
481.17151	61.9
482.17532	7.6
509.50751	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0987
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
59.01260	3.6
69.64129	11.7
71.01250	8.2
72.90539	1.6
78.68433	1.6
79.01758	2.1
81.03356	2.3
82.99641	1.5
83.01280	2.5
85.02844	4.8
89.02313	2.7
91.06349	1.9
97.02844	3.2
101.02325	5.2
107.01256	14.1
108.02054	3.4
109.02843	3.3
111.00766	5.7
113.02330	5.5
115.46726	1.6
119.05061	1.8
121.02859	2.7
122.03616	13.1
123.00767	27.3
123.04394	16.7
124.01542	3.7
125.02335	65.2
127.00184	2.7
136.98718	2.9
137.02367	2.1
139.00278	7.1
140.01091	8.4
141.01828	3.7
149.02425	4.6
151.00281	18.7
166.99776	2.6
168.00587	9.8
169.01341	89.2
170.01686	5.3
179.03392	1.6
211.02515	2.5
300.99969	3.3
313.05573	22.1
393.23944	1.7
412.24738	1.7
437.10898	100.0
438.11383	10.3
463.02908	1.7
463.08826	50.6
464.09073	5.6
481.09906	70.4
482.10297	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40528	6.4
58.58740	5.2
59.01253	59.9
61.24989	6.4
64.30631	6.3
70.64745	13.7
70.65119	10.3
71.01255	66.1
72.99181	8.2
75.05431	7.1
85.02818	14.0
87.00746	8.5
89.02308	43.3
90.22918	5.9
95.01257	16.8
96.57309	6.9
97.02832	6.5
101.02329	26.7
107.01276	16.5
107.94939	6.1
109.02880	9.1
111.00763	10.5
113.02309	19.6
119.03410	14.6
121.02814	6.6
122.03627	10.9
123.00779	33.2
123.04428	18.4
125.02336	81.2
136.01566	27.3
137.02304	6.8
137.61777	6.4
139.00291	20.6
139.67502	6.6
151.00287	21.0
151.03894	21.7
157.59142	6.6
163.00169	8.1
166.99734	15.2
168.00493	13.5
169.01358	87.0
177.01871	8.5
190.99931	8.1
203.03444	10.7
209.05936	15.3
217.01404	7.6
225.05547	17.8
229.01347	12.3
237.05522	54.0
247.02353	9.6
252.07945	40.3
253.05080	29.5
253.08676	15.1
257.00858	11.6
268.07394	29.5
273.00296	8.7
275.01913	27.2
283.09753	70.1
298.98291	7.7
300.99908	71.2
313.05655	28.2
426.14682	6.7
437.11029	100.0
438.11292	12.0
481.09930	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76861	0.8
50.95362	0.8
52.08126	0.8
53.65401	0.8
54.39643	0.9
56.18395	0.9
59.01267	1.4
60.10458	0.8
65.33967	0.8
70.72041	1.0
70.72374	2.1
71.01248	2.7
75.86465	0.9
79.01743	0.9
83.01283	1.1
85.02819	1.1
95.01290	2.3
101.02337	2.8
107.01264	4.6
113.02354	1.2
122.03618	4.8
123.00772	9.9
123.04417	5.1
125.02349	20.4
133.65898	0.9
134.38730	0.9
139.00256	3.7
140.01115	2.4
145.02911	1.4
147.04431	1.1
149.02449	1.2
151.00305	5.1
151.03813	1.1
159.04465	1.4
163.03886	1.4
165.01837	1.0
168.00589	2.4
168.99942	1.9
169.01353	26.2
173.02373	2.0
175.03943	2.0
185.02371	1.5
192.58549	1.1
201.01886	3.7
203.03448	3.1
205.05060	1.4
211.02478	1.0
211.62354	0.9
217.01372	1.5
219.02975	0.9
229.01390	5.2
231.02980	2.3
234.15932	1.0
245.00958	2.8
247.02516	1.7
249.03824	2.1
257.00879	3.6
258.01569	1.3
270.99026	1.1
273.00500	1.0
275.01993	13.1
276.02512	1.7
283.99704	3.7
286.42386	1.2
293.02972	1.5
299.99106	2.6
300.99896	100.0
302.00323	8.3
313.05649	7.2
347.37085	0.9
356.54941	0.9
437.10950	42.9
438.11282	5.5
463.08978	11.9
481.05563	6.1
481.09952	12.4
482.10529	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0988
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
59.01254	2.0
63.02882	1.5
67.01764	2.0
69.03300	1.7
69.54821	4.9
69.55249	5.0
71.01250	8.8
72.99191	1.2
79.01735	1.5
80.28944	1.2
81.03324	1.8
83.01244	2.0
85.02809	3.7
89.02275	2.0
95.01266	3.6
97.02832	1.5
97.91591	1.3
98.19856	2.8
101.02339	2.4
107.01283	12.9
108.02073	2.9
109.02825	3.6
111.00762	5.4
113.02352	3.7
113.11820	1.3
122.03644	9.5
123.00775	22.4
123.04416	19.9
124.01594	1.8
125.02335	52.4
136.98688	2.9
137.02341	2.7
139.00235	7.6
140.01047	5.9
141.01852	3.1
151.00301	14.9
153.01849	1.6
153.05347	1.4
161.04474	2.1
166.99704	2.3
168.00539	8.1
169.01344	58.1
170.01701	3.1
179.03539	1.6
181.05042	2.3
189.01785	1.8
191.63435	1.4
211.02428	2.0
273.00378	1.6
275.01910	3.0
297.06119	1.7
300.99902	6.3
313.05673	15.4
371.31473	1.4
386.49530	1.4
437.10910	100.0
438.11139	10.6
481.10056	18.2
482.10205	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	481.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	0.9
61.67445	0.5
71.01250	1.5
71.57207	0.6
83.01242	0.6
95.01253	0.6
123.00764	1.7
123.04440	0.9
123.67004	0.5
125.02336	2.6
127.09027	0.5
133.01331	1.1
145.02855	1.4
157.02856	0.8
163.03899	0.6
163.94435	0.5
169.01305	3.5
173.02386	1.9
185.02386	3.5
189.01796	1.1
200.00955	0.5
201.01839	3.0
203.03476	2.0
217.01340	0.6
226.68782	0.6
229.01407	5.3
231.02982	1.2
245.00896	1.9
247.02515	0.9
249.04048	1.7
257.00897	4.5
258.01599	0.8
273.00430	1.0
275.02020	10.1
283.99585	3.4
299.99210	2.4
300.99902	100.0
302.00232	7.4
306.59634	0.7
313.05618	0.9
337.01895	0.5
389.50891	0.6
437.11197	3.2
438.11078	0.7
463.08920	1.0
481.05957	10.8
482.06528	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.3
61.28841	0.3
68.89417	0.3
69.72034	2.0
69.72433	0.7
71.01381	1.0
73.02953	0.3
81.89756	0.3
85.02911	0.4
89.02437	0.6
95.01354	0.7
98.19801	0.6
101.02461	0.6
106.63132	0.3
107.01392	0.5
113.02472	0.4
123.00913	1.3
123.04527	0.7
125.02348	2.2
129.03400	0.4
145.03023	1.0
147.04529	0.6
151.00360	0.6
157.03000	0.5
161.02466	0.4
163.03990	0.6
169.01370	2.9
173.02388	2.1
175.04013	0.7
185.02390	2.8
189.01981	0.8
191.03630	0.4
201.01877	4.0
202.02364	0.3
202.63414	0.3
203.03482	1.8
205.01567	0.3
213.01952	0.6
217.01530	0.9
228.00722	0.3
229.01369	6.3
230.01794	0.5
231.02983	0.5
244.00114	0.4
245.00792	1.5
249.04106	1.2
254.99493	0.4
257.00897	4.5
258.01648	1.5
273.00537	0.3
275.01974	10.7
276.02359	1.1
283.99600	3.1
299.95856	0.4
299.99081	2.6
300.99893	100.0
302.00229	7.6
311.17371	0.4
313.05670	0.7
347.70892	0.3
437.11032	1.9
481.05789	11.9
482.06448	1.6
482.12158	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02491	0.3
59.01252	2.1
71.01265	1.2
71.33720	0.4
71.34095	0.6
75.42090	0.3
77.92713	0.3
85.02827	0.6
89.02325	0.7
96.95891	0.3
101.02322	0.5
113.02312	0.3
123.00765	0.8
125.02293	0.4
129.03340	0.5
145.01395	0.3
145.02866	1.5
146.13397	0.3
147.04472	0.5
157.02855	1.6
159.04437	0.5
163.03925	0.6
168.91956	0.3
173.02371	2.3
175.03908	0.7
177.01836	0.3
179.03400	0.3
185.02405	3.2
190.02638	0.3
190.20267	0.3
191.03389	0.8
201.01854	3.8
203.03442	1.6
213.01837	1.2
217.01303	0.8
219.02837	0.4
226.99867	0.5
228.00522	0.5
229.01372	7.8
230.01709	0.6
231.02931	0.9
245.00957	2.0
257.00922	4.6
258.01587	1.3
273.00406	0.5
275.01981	10.7
276.02255	0.7
283.99661	3.3
299.99088	3.2
300.99896	100.0
302.00241	8.2
481.06177	7.0
482.06296	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	4.7
61.98702	1.7
67.01761	0.6
69.03340	0.8
69.54008	5.0
71.01266	6.0
72.99197	0.8
73.02830	1.6
79.01746	0.8
79.85669	0.6
81.26588	0.6
83.01273	1.4
85.02835	1.2
89.02341	1.4
95.01305	1.1
97.02853	1.2
101.02324	3.4
107.01265	10.4
108.02134	0.8
109.02859	1.1
111.00729	1.6
113.02357	2.5
121.05229	1.0
123.00762	10.9
124.01594	1.9
125.02340	56.2
126.02641	1.1
135.04408	1.0
136.05185	8.6
136.98680	1.4
137.02379	1.0
139.00262	3.2
140.01024	3.0
140.13364	0.6
141.01813	1.8
146.32121	0.7
151.00273	7.1
152.01097	0.7
153.01848	1.2
154.87004	0.6
154.99782	0.7
161.02322	0.7
166.05013	100.0
167.05380	3.8
168.00581	2.9
169.01337	83.3
170.01672	2.3
170.69496	0.7
211.02454	4.3
215.25548	0.7
229.57858	0.7
241.03484	2.0
271.04605	2.2
275.02002	0.8
300.99881	8.9
301.03180	0.8
302.00195	1.5
305.90051	0.7
313.05652	91.2
314.06012	6.5
318.23651	0.7
343.06805	0.7
404.05603	0.8
413.10828	1.1
480.11484	66.8
481.11185	6.4
481.17697	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	479.3379
Annotation	24-epi-Brassinolide
Peak:m/z	Relative Intensity
63.30056	1.0
71.01254	1.9
71.05316	2.6
78.95772	3.0
78.96214	1.2
104.50799	1.1
284.19067	1.2
307.81100	1.1
341.28378	6.1
343.30054	58.1
344.30521	5.2
345.31607	22.7
346.32059	2.9
357.27991	2.0
363.32724	1.4
373.34677	11.4
377.30591	5.9
389.30536	4.9
391.35971	2.0
417.33716	41.7
418.34085	5.5
435.34729	1.7
443.15192	1.4
447.96655	1.2
479.33762	100.0
480.34384	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	480.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.4
57.03312	0.4
59.01250	4.8
61.98705	1.6
62.93157	0.4
67.01749	1.1
68.99677	0.4
69.03318	1.1
69.23225	4.7
71.01254	7.3
72.99186	0.5
73.02815	1.4
79.01756	1.0
83.01270	1.2
84.56500	0.4
85.02843	2.8
87.00771	0.7
89.02327	1.5
93.03357	0.7
95.01250	2.4
97.02841	1.4
101.02340	3.4
107.01271	10.6
108.02100	2.2
109.02861	1.9
111.00769	2.3
113.02316	2.4
113.28189	0.4
121.02797	0.5
121.05201	1.0
123.00769	11.6
124.01563	1.0
125.02336	55.0
126.02659	1.6
127.00237	1.0
134.03612	0.7
135.04422	1.1
136.05196	10.7
136.98706	1.1
137.02336	0.7
139.00246	3.1
140.01086	2.7
141.01833	1.7
151.00255	7.4
151.03825	0.7
152.01007	1.5
153.01813	1.0
160.01494	0.4
161.02321	0.7
161.04477	0.8
161.46727	0.4
165.01831	0.4
166.05005	100.0
166.26535	0.4
166.99809	0.4
167.05359	4.2
168.00539	4.5
169.01334	66.6
170.01691	2.4
179.03510	0.5
181.01285	0.4
193.01349	0.6
195.02921	0.5
211.02411	3.1
241.03596	2.2
253.03539	0.6
257.00934	0.4
271.04578	2.1
285.04102	0.5
300.99966	7.0
301.03442	1.1
302.00116	0.9
313.05637	77.5
314.05954	4.5
465.06952	0.6
479.32092	1.5
480.11414	50.7
481.11566	4.6
481.17194	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2283
Annotation	Ineupatolide
Peak:m/z	Relative Intensity
57.03322	0.7
59.01243	2.0
65.00177	1.0
67.01761	2.2
68.99686	0.9
70.31818	2.2
71.01260	3.1
72.99188	1.8
73.02805	0.8
78.95785	1.0
79.01775	0.8
83.01244	1.9
85.02796	1.0
87.00730	1.2
87.04395	0.8
89.02337	0.9
95.01275	1.8
97.02860	0.8
99.00745	0.7
101.02312	1.0
107.01262	2.8
109.99988	2.4
111.00778	11.3
123.00782	11.3
124.01582	7.1
125.02345	19.0
127.00266	3.4
127.07600	0.7
129.09109	2.0
136.98695	6.5
138.03156	0.8
139.00267	11.5
140.00023	1.2
140.01056	18.8
141.01767	1.0
141.09052	1.3
151.00293	4.4
154.99728	1.4
155.10683	2.9
159.66057	0.5
165.12715	0.7
166.99811	3.3
168.00563	19.7
168.99960	1.3
169.01343	21.8
170.01683	0.6
171.10181	3.0
176.12328	0.5
181.12285	0.8
185.11768	4.0
197.11789	4.1
209.11789	1.3
211.13243	0.7
219.92671	0.6
236.88274	0.6
243.12651	0.6
245.28563	0.7
275.45834	0.7
291.19595	2.8
309.20764	4.1
310.20935	0.8
311.22229	1.6
327.21750	11.3
328.21976	0.9
331.22775	1.1
335.11356	2.5
404.33926	0.7
435.25739	0.8
435.31332	8.0
461.21426	1.3
479.22797	100.0
479.30008	19.0
480.23154	16.5
480.30240	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	479.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	2.4
57.03326	3.4
57.80067	2.0
58.00474	5.3
59.01256	60.0
65.00180	2.2
65.03822	2.4
68.99690	2.0
69.03326	4.9
71.01259	67.1
72.99178	5.1
73.02827	8.1
75.00755	10.2
83.01262	14.6
83.04906	5.6
85.02827	17.8
87.00758	43.6
89.02318	61.4
93.06969	6.6
93.92632	2.0
95.01288	7.7
97.02861	6.1
98.19752	4.4
99.00736	4.2
99.97914	2.3
101.02335	36.2
107.01260	2.5
107.04897	2.6
109.02876	2.7
109.06496	6.2
111.00746	5.6
111.08070	7.5
112.98570	2.3
113.02339	39.4
117.03322	4.7
119.03391	19.8
119.04958	3.1
121.06498	2.8
123.00800	4.2
125.02334	16.6
125.05939	3.3
126.02633	2.9
129.01855	3.9
131.03412	4.5
133.02869	3.0
133.06477	2.5
135.08040	2.6
137.02342	3.2
137.06004	4.3
139.00291	6.0
139.07520	5.9
143.03418	7.0
145.02856	5.7
147.04416	4.3
151.07536	3.7
155.07051	100.0
156.07430	3.3
161.02390	7.7
161.04482	17.9
161.05888	4.9
163.03883	3.2
169.01344	16.9
170.01692	3.3
171.01837	3.7
171.06601	2.1
173.02388	5.2
173.06058	2.3
175.03958	2.5
177.01910	4.1
179.05553	23.2
179.07014	3.1
185.02414	3.8
187.00363	2.5
188.00867	2.2
189.01744	5.2
191.03499	5.4
197.08113	7.1
201.01906	6.5
202.77950	1.9
203.03407	2.6
205.01559	2.0
214.99760	2.9
216.00656	3.8
217.01425	10.7
219.02943	4.2
229.01350	3.6
231.02853	3.2
242.99403	2.5
243.02928	2.1
245.00922	10.6
247.02518	7.1
253.57425	2.0
261.00363	3.6
270.98795	7.3
271.99664	4.0
273.00476	16.1
275.01773	2.7
298.98392	5.8
299.99045	4.3
300.99854	8.8
303.01434	4.7
315.99078	2.0
316.99362	6.8
323.09833	18.8
341.10883	88.3
341.14960	4.8
342.11292	6.6
345.26727	2.2
348.34283	2.6
451.04938	3.8
461.03226	2.8
464.86456	2.2
479.04648	4.1
479.17795	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	479.1195
Annotation	Ampelopsin 3'-methyl ether 4'-rhamnoside
Peak:m/z	Relative Intensity
59.01252	11.1
64.72240	0.6
65.91286	0.5
67.01774	1.2
69.03342	1.1
71.01259	6.4
71.05400	1.1
71.05747	0.8
72.99190	1.2
73.02827	1.4
75.00751	1.0
78.44695	0.6
79.01769	1.1
79.26816	0.6
83.01261	1.0
85.02831	2.5
86.09662	0.6
87.00769	1.4
89.02322	2.4
90.47655	0.6
93.03360	3.8
95.01278	2.5
96.71576	0.6
96.95834	0.8
97.02821	1.5
99.00778	1.1
101.02316	4.3
107.00596	1.2
107.01267	8.0
109.02866	1.1
111.00773	2.9
113.02340	2.9
119.03362	0.8
119.04910	1.3
121.02899	1.0
121.06469	3.1
123.00776	16.6
124.01588	1.2
125.02338	50.4
126.02710	2.1
135.04416	0.9
136.98705	1.3
137.02354	2.6
139.00258	5.6
140.01038	3.4
141.01845	2.7
143.03436	0.9
145.02887	1.0
147.00806	1.3
147.04517	0.8
147.98096	0.6
150.03191	0.8
151.00269	13.8
151.03928	2.3
153.01819	1.0
155.07095	0.9
161.02374	2.1
162.03163	1.5
163.00287	1.1
163.03943	1.6
164.01077	1.2
165.01839	1.1
165.05476	22.3
166.99744	0.9
167.03383	1.1
168.00569	3.6
169.01338	66.8
170.01715	2.8
177.01840	1.5
178.99815	1.9
179.03520	1.2
181.01419	0.8
189.01877	1.1
191.03430	0.9
201.01849	0.7
201.89830	0.6
206.30235	0.7
211.02434	1.9
214.99919	0.9
217.01233	1.3
229.01344	1.0
230.99196	0.9
231.95764	0.6
241.03453	1.0
245.00839	1.8
247.02585	0.9
253.03448	0.8
261.00333	1.3
263.35690	0.6
271.99561	1.8
273.00436	1.7
289.00009	1.2
289.94458	0.7
298.98410	2.1
299.01898	1.2
299.09283	3.2
299.98822	1.6
300.99731	2.6
302.00284	0.8
313.05682	14.8
314.00726	0.8
314.06143	1.1
315.01300	1.0
316.01511	1.6
316.99557	0.9
317.03149	1.2
317.19772	0.9
347.17249	0.9
460.08978	0.7
461.10800	10.8
461.16809	0.9
462.11594	1.1
479.12054	100.0
479.25101	4.4
480.12302	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	479.0835
Annotation	Myricetin 3-galactoside
Peak:m/z	Relative Intensity
57.03311	3.5
59.01250	25.3
65.00190	5.6
69.03336	3.1
70.32193	10.9
71.01266	22.0
72.99163	8.4
73.02808	3.5
75.00736	7.5
83.01244	11.5
85.02840	6.0
87.00755	2.8
89.02300	9.5
93.03323	2.7
95.01260	8.4
96.95861	4.6
97.02827	3.0
97.38421	2.6
98.19885	3.5
101.02293	10.8
102.44561	3.0
104.83847	2.7
107.01289	20.0
107.04908	3.4
109.02803	9.2
111.00735	5.6
113.02334	7.1
119.01264	3.5
119.03336	6.1
119.04911	8.0
121.02844	3.4
123.00740	10.6
124.01529	6.4
125.02339	43.0
126.02689	5.6
133.02818	2.8
135.04393	2.6
136.01515	7.6
137.02330	13.4
139.00259	7.1
145.02814	4.5
147.00760	17.7
147.04335	3.4
148.01524	6.1
150.03143	5.5
151.00269	56.5
152.01031	16.6
160.01538	3.5
161.02328	5.9
162.03117	20.8
163.00249	10.6
163.03922	5.9
164.01079	19.1
165.01767	7.4
165.05502	4.9
166.99753	10.9
168.00562	3.2
169.01347	42.4
170.01691	3.0
171.01817	3.5
173.02325	5.1
175.03880	7.8
178.99773	64.3
188.00899	2.8
189.01807	4.7
190.99706	6.0
191.03400	5.5
191.61627	2.3
192.00526	5.2
193.01282	7.2
199.03973	4.5
201.01868	9.9
205.01443	3.3
205.05000	3.0
207.03003	2.9
214.02551	3.1
214.99850	3.5
217.01405	3.9
219.02826	4.3
227.03444	5.8
229.01372	3.9
242.02231	3.4
243.03017	6.1
245.00792	6.8
247.02626	2.6
255.02950	5.6
257.00867	3.6
259.99472	3.2
261.00327	9.3
263.01981	4.4
269.04572	7.1
270.04849	2.7
270.99127	4.6
271.02438	34.2
271.99548	5.2
272.02625	4.2
273.00269	5.8
273.03757	3.5
275.01871	4.2
284.06799	7.8
287.02121	5.1
288.99838	3.8
298.98630	2.3
299.01974	58.0
299.09204	48.7
299.99036	4.1
300.02353	7.3
300.09677	2.9
300.99948	17.8
302.00266	3.9
303.00595	3.1
313.05688	3.2
316.02240	54.7
316.99545	3.8
317.02982	66.6
317.19818	3.0
318.03262	7.3
353.05148	4.2
363.01276	2.7
479.08167	100.0
479.25211	6.4
480.08350	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	479.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02589	1.7
59.01250	5.4
65.00185	8.1
67.01796	2.2
69.47863	3.3
69.48269	14.9
71.01244	2.9
72.99174	3.2
83.01254	5.3
85.02853	2.4
93.03331	8.4
94.37083	1.9
95.01256	5.6
97.67643	2.1
98.19807	3.2
99.00799	2.0
107.01243	5.4
109.02866	3.3
111.00739	13.1
117.03333	5.6
119.04905	4.2
123.00768	8.3
124.01580	3.5
125.02336	11.4
132.02046	2.7
133.02866	2.2
135.00774	3.4
137.02312	7.9
139.00285	18.4
143.04944	3.4
145.02892	12.9
149.99451	2.3
151.00305	19.5
152.01022	6.4
155.04913	3.3
159.04449	7.3
161.02400	3.5
161.05997	3.6
163.00243	5.5
163.03941	3.3
164.01065	5.0
164.98277	3.7
165.01822	3.6
165.99028	2.7
166.99756	3.0
168.00555	4.7
169.01358	6.7
171.04485	7.2
174.03122	6.6
175.03908	3.8
177.99307	1.9
178.99800	16.4
183.04419	4.3
187.03952	8.6
188.04500	2.7
189.05624	2.4
192.00565	3.1
199.03911	7.4
203.03395	3.8
206.31392	2.0
206.99254	3.3
208.00092	3.2
209.00867	2.9
210.78505	2.3
214.02641	5.2
215.03433	9.6
216.04208	8.0
217.01573	2.5
217.05016	24.8
227.03435	8.0
231.02966	8.0
232.03694	4.8
242.02161	5.2
243.02939	17.7
244.03671	4.1
245.00853	4.0
245.04424	4.8
255.02969	10.8
259.02496	17.3
260.02747	2.5
270.01755	8.0
271.02499	63.1
272.02988	8.9
273.04068	8.8
279.94800	2.0
285.04041	5.0
287.01935	22.5
288.02539	6.2
289.03308	3.7
298.01160	2.6
299.01971	50.1
300.02496	7.0
301.03485	5.0
315.01505	3.2
315.39526	2.4
316.02234	56.2
317.02933	30.4
379.10291	5.8
451.08762	2.7
479.08313	100.0
480.08615	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	479.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95237	0.6
59.01249	2.7
60.22224	0.6
63.02283	0.9
65.00194	3.4
65.53327	0.6
67.01761	1.1
68.99693	0.8
71.01249	1.4
71.57708	0.7
83.01263	1.3
86.32504	0.6
89.02316	0.8
93.03314	0.9
95.01260	3.0
95.46056	0.7
99.00788	1.3
101.02345	0.7
107.01276	2.9
108.02088	1.8
109.02856	6.1
109.99992	7.4
111.00781	4.4
119.01218	0.7
121.02838	1.0
123.00780	5.2
124.01548	4.2
125.02343	5.5
126.02673	0.6
133.02812	1.5
135.00769	1.3
136.98727	2.8
137.02356	2.4
137.99504	2.4
139.00266	10.2
139.03897	1.0
143.04980	1.0
145.02847	1.2
146.03616	1.2
148.01575	2.0
149.02362	2.4
150.03090	1.0
151.00279	13.3
152.01068	7.8
153.01833	2.6
154.04359	0.6
155.04932	0.8
157.02899	0.7
157.91586	0.8
159.04478	1.9
161.02356	2.6
162.02811	0.7
163.00264	3.7
164.01074	3.8
165.01775	1.5
165.05513	0.8
165.99002	6.0
166.99759	5.4
169.01340	4.7
170.03745	0.6
171.04427	2.9
173.02386	1.4
173.06017	0.8
174.03177	2.0
175.00327	1.1
175.03906	2.9
177.01845	1.1
178.99792	12.3
181.01361	1.1
183.04463	2.0
185.02365	0.9
186.03166	0.7
187.03964	3.9
188.04594	1.1
189.01883	1.9
189.05502	0.8
190.99875	1.1
191.03430	1.0
192.00578	1.2
193.98546	0.7
194.99226	1.4
195.06570	0.6
197.02328	1.0
198.03123	2.0
199.03894	5.2
200.04614	0.9
201.01846	3.2
202.02600	0.8
203.03523	3.9
205.01317	1.6
208.00095	2.0
208.12352	0.6
209.00774	0.9
211.04036	1.5
213.01898	1.2
214.02640	3.6
215.03397	6.4
216.04140	2.7
217.01422	1.3
217.05032	0.8
218.02083	0.8
219.02980	0.9
221.00998	1.0
225.01830	0.8
226.02686	1.8
227.03502	8.5
228.04042	0.9
229.01314	1.3
230.02161	1.9
231.02989	4.2
232.03688	2.1
241.01314	1.1
242.02132	7.3
243.02979	12.5
244.03601	2.4
245.00935	0.8
245.04460	1.7
247.02365	0.7
255.03047	6.4
256.03427	0.8
259.02457	6.1
260.03122	1.8
269.01202	0.7
270.01675	9.5
271.02463	51.4
272.03085	10.9
273.04080	4.5
286.98712	1.2
287.01974	23.0
288.02673	9.3
289.03552	1.6
298.01254	1.8
299.01968	38.6
300.02475	3.8
301.03152	1.4
315.01437	1.3
316.02216	91.3
317.02936	50.9
318.03244	3.9
343.06631	2.7
435.09198	1.4
461.07440	1.8
479.08279	100.0
480.08578	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	479.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01844	0.8
55.46875	0.7
58.17421	0.7
59.01237	1.1
65.00200	2.0
69.45602	4.3
69.46011	1.5
71.01260	1.9
86.02895	0.8
86.62315	0.7
95.01259	3.1
95.09596	0.8
107.01263	2.2
107.41368	0.7
108.02077	0.9
109.02825	4.1
110.00003	5.5
111.00780	3.9
119.01278	0.8
123.00813	4.2
124.01556	2.8
125.02339	1.9
135.00801	0.9
136.98817	1.1
137.02321	1.7
137.99490	2.1
139.00270	5.9
139.03894	0.9
146.03612	0.8
147.00729	1.1
148.01564	1.2
151.00310	9.0
152.01091	4.5
153.01823	1.5
155.04878	0.9
158.03691	0.9
159.04408	1.5
161.02322	2.4
162.98975	0.8
163.00288	3.7
164.01114	2.3
165.01811	1.3
165.99008	4.6
166.99770	6.0
169.01331	2.2
171.04457	2.0
173.02351	0.9
174.03125	1.3
175.03920	1.8
177.01801	1.5
178.99808	7.3
183.04417	1.0
186.03096	0.9
187.03920	3.4
188.04762	1.1
189.01820	1.3
190.02734	1.0
193.01329	1.2
193.98785	0.8
197.02469	1.0
198.03104	1.2
199.03911	4.4
201.01883	2.8
201.05559	1.0
202.02704	1.1
203.03427	3.0
205.01532	0.8
207.99968	0.9
213.02084	1.2
214.02678	2.9
215.03447	4.8
216.04201	2.5
217.01338	0.9
218.01953	0.8
226.02736	1.4
227.03430	6.5
230.01964	1.0
231.02950	3.4
232.03772	0.8
242.02164	5.2
243.02939	12.1
244.03593	2.6
245.00760	1.2
245.04471	1.4
255.02939	4.3
259.02408	4.4
260.03098	2.2
270.01746	5.2
271.02478	30.1
272.03183	7.4
273.04086	7.2
287.01993	13.2
288.02655	9.4
289.03351	2.3
291.72263	0.8
298.01297	1.6
299.01978	24.0
300.02454	2.8
315.01563	1.5
316.02237	58.5
317.02954	38.7
318.03345	3.5
343.06595	1.4
404.86398	0.8
435.09164	1.5
461.07059	1.2
479.08319	100.0
480.08588	13.8
487.58356	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.1
71.01254	2.7
81.18297	1.3
90.29176	1.1
95.01249	1.3
101.02346	1.2
104.02579	1.7
104.04177	1.2
111.00768	2.0
117.03366	2.5
123.00779	2.9
123.27641	1.3
125.02336	5.1
132.02092	6.5
133.02864	2.4
134.00020	1.3
136.01567	1.5
137.02364	1.7
139.00270	2.7
143.01384	1.5
144.02097	1.3
145.02837	5.4
148.01570	3.2
149.67802	1.2
160.01585	12.5
161.02289	3.9
163.00162	2.3
163.03897	1.6
164.01013	2.0
165.80573	1.1
166.96329	1.0
166.99821	2.5
169.01340	4.9
172.01570	4.0
173.02304	5.6
176.01126	1.7
177.01758	1.9
185.02408	1.6
187.00323	2.6
188.01048	11.7
189.01825	7.1
191.03429	1.3
191.05560	1.4
200.01208	5.8
201.01852	3.1
214.99799	3.7
216.00603	32.9
217.01357	7.9
229.01334	4.3
229.65189	1.9
230.99232	3.1
232.00078	1.2
242.99327	7.1
244.00093	42.8
244.02634	2.2
245.00859	35.3
246.01260	3.8
257.00610	1.7
258.01688	1.6
258.98914	1.3
259.99496	3.8
261.00336	2.6
269.98105	2.7
270.98816	25.3
271.99619	100.0
273.00369	74.5
274.00876	6.6
275.01874	3.5
286.01190	5.4
286.98224	3.4
287.01233	1.6
287.98755	3.3
288.99670	2.7
297.97464	4.0
298.98337	39.6
299.99057	10.1
300.99866	11.5
302.00247	1.8
303.01324	2.1
315.01410	2.1
315.94818	1.9
315.98584	38.7
316.01855	1.4
316.99390	53.8
317.99567	3.0
406.83081	1.3
435.05710	22.9
436.06293	3.7
451.04926	3.5
461.03720	4.9
462.04709	2.8
463.05035	2.0
479.04645	96.2
480.05035	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	477.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47070	0.5
55.01760	1.0
57.03317	1.2
58.00452	0.5
59.01251	14.1
61.98701	0.5
65.02070	0.4
71.01256	11.2
71.58097	0.5
72.99176	1.1
73.02815	3.2
75.00758	0.5
83.01258	2.3
85.02838	4.0
87.00760	1.9
89.02331	3.3
92.89813	0.5
95.01248	1.0
99.00730	0.9
101.02314	6.8
111.00752	1.4
113.02356	3.5
119.03379	1.2
121.02830	0.6
123.00784	0.6
125.02328	1.5
137.02330	0.6
153.01851	0.5
157.50378	0.5
169.01355	1.4
177.01820	1.5
209.00746	0.9
221.00908	1.7
270.98901	1.0
281.04855	0.5
295.02112	0.5
297.24371	3.1
298.98312	1.3
299.98965	0.6
300.99924	0.9
301.03394	0.7
313.23944	0.9
314.00565	1.3
315.19611	0.8
315.25403	24.6
316.25735	2.7
327.13144	0.7
327.25470	0.4
459.29672	1.6
477.07275	1.8
477.30701	100.0
478.31009	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	478.2938
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
71.23961	0.5
71.24303	0.4
78.95778	100.0
86.30415	0.3
96.95883	0.4
96.96846	6.5
97.97619	0.2
102.57751	0.3
150.75401	0.3
152.99492	16.8
153.99855	0.3
154.25571	0.2
160.55257	0.3
171.00560	17.6
172.00801	0.3
198.51363	0.3
214.04857	0.4
404.25650	1.8
478.29388	56.1
479.29672	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	477.2132
Annotation	Divaricin B
Peak:m/z	Relative Intensity
59.01255	7.0
65.00190	1.1
67.01752	1.6
68.99679	0.8
69.03309	1.5
69.32055	7.1
71.01257	4.9
72.99159	1.6
73.02784	0.8
75.17647	0.7
79.01768	0.6
82.02917	0.6
83.01264	2.0
83.04928	1.2
85.02825	2.3
89.02341	1.3
94.77058	0.8
95.01258	3.0
97.06467	1.0
99.00777	1.1
101.02347	1.7
107.01276	4.6
109.99961	1.8
111.00766	10.2
111.08039	0.7
113.02311	0.8
121.02818	0.8
123.00786	11.6
124.01578	6.6
125.02349	24.8
125.09604	0.8
127.00275	4.9
136.98705	5.8
138.03128	2.2
138.99228	1.2
139.00264	10.9
140.00049	1.1
140.01068	16.3
141.01813	1.1
149.02415	1.2
150.03146	4.6
151.00273	4.1
153.09131	2.0
154.99750	1.3
161.04491	0.9
165.05513	4.3
165.50279	0.6
166.99802	4.3
168.00557	20.9
169.01344	32.3
170.01636	1.8
171.10199	3.3
177.01900	0.7
177.99129	0.7
185.11859	0.7
191.03459	1.7
197.11784	1.0
209.11746	6.2
210.00430	0.7
210.12132	0.9
211.13239	0.8
211.30858	0.7
219.13750	0.6
245.19037	0.9
249.93227	0.7
269.40546	0.8
270.98819	1.7
273.11206	1.0
289.18008	1.9
298.98325	3.4
300.99899	1.7
301.03491	0.7
307.15723	1.0
307.19141	9.6
308.19388	1.0
314.00720	2.2
325.20218	7.5
335.11505	5.4
364.15509	1.0
415.21231	1.5
459.20145	2.2
477.07330	3.8
477.21295	100.0
478.21570	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71584	0.7
59.01254	6.9
60.05571	0.8
67.01759	1.4
71.01257	2.5
71.04884	1.5
72.99155	0.9
73.02832	1.2
80.02536	1.1
80.60526	0.9
81.03335	1.1
83.01263	1.7
83.04889	4.5
84.02061	1.0
85.70479	0.8
87.04390	1.0
95.01280	2.9
95.04892	1.1
96.95884	1.3
97.02837	1.1
97.06470	2.4
98.19801	2.9
99.08041	1.1
103.09705	0.8
104.47372	0.9
109.06479	1.6
109.95792	0.8
110.00005	0.9
111.00764	6.2
111.04390	1.0
115.07540	3.3
121.02801	1.0
121.57542	0.8
123.00766	8.1
124.01566	4.3
125.02341	7.5
125.09616	3.0
127.00266	3.4
136.98709	3.2
137.09633	1.3
139.00290	8.2
140.01054	11.8
151.00272	1.9
151.11247	1.3
154.99796	1.0
155.10692	3.2
163.11165	4.3
165.12744	2.5
166.99757	5.4
168.00554	11.4
169.01344	5.1
177.01830	1.9
178.09917	4.4
181.12250	1.6
190.02634	1.2
207.10255	2.0
209.11768	72.0
210.12137	3.8
211.13354	1.9
221.15437	0.9
247.09685	5.4
249.14995	0.9
253.18080	1.3
263.20239	1.0
265.18170	0.9
265.80634	1.0
270.98892	2.6
279.19724	1.5
281.21188	1.2
289.18127	2.9
297.00812	1.6
298.98456	2.9
299.98981	1.1
300.99911	2.9
301.03299	1.9
307.19135	55.6
308.19482	5.1
314.00833	3.3
325.20209	9.9
389.26730	1.2
389.31140	1.4
415.21466	1.1
415.28690	3.0
417.26563	2.7
433.29681	5.5
459.20383	3.9
459.27643	2.7
477.07288	6.1
477.21448	100.0
477.28714	21.6
478.07654	0.9
478.21637	13.4
478.28317	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22351	0.5
57.03318	0.6
57.07576	0.5
59.01254	11.4
61.98703	1.9
65.00198	0.7
69.40450	3.9
69.40880	1.7
69.80463	0.6
71.01261	5.9
72.99189	1.0
73.02810	1.7
75.59106	0.5
75.60760	0.5
77.03833	1.3
78.38268	0.5
79.64125	0.5
83.01249	1.1
83.04889	0.7
85.02838	2.3
85.06484	0.6
87.00759	0.7
89.02327	2.6
93.03343	8.1
95.01247	1.3
95.04888	2.7
97.02813	0.7
97.06476	0.9
101.02305	4.3
105.03357	4.3
107.01266	1.0
109.02823	1.4
111.00751	0.7
113.02348	2.0
113.54791	0.6
119.03425	0.8
121.02849	20.1
122.03131	0.7
123.00761	1.4
123.04416	11.3
125.02340	2.9
125.03120	0.6
131.01279	0.8
132.02080	3.1
133.02852	16.4
134.03146	0.7
135.00809	0.9
137.02354	4.0
139.03874	0.7
147.00781	1.7
149.01208	1.2
149.02348	14.0
150.02676	0.8
151.00233	1.7
152.66231	0.6
161.04430	1.3
163.00224	2.2
164.01131	2.8
165.01851	5.2
169.01350	2.0
175.00307	1.3
175.03983	0.6
176.01097	1.8
177.01859	62.1
178.02226	3.1
178.99768	2.0
189.01874	0.9
190.02637	0.6
193.01405	5.0
202.99719	1.2
203.03377	0.6
206.99277	2.3
208.00098	11.2
209.00864	9.0
210.01184	0.8
218.99380	1.5
221.00865	100.0
222.01207	5.6
222.03101	1.0
225.11375	0.6
227.03403	0.7
235.02554	0.9
242.60217	0.5
242.99222	0.6
246.98839	1.9
248.03221	1.7
253.17282	0.6
262.04889	1.6
264.99954	6.5
270.98798	2.6
279.01559	3.3
285.00522	0.8
286.00958	0.7
292.02145	0.8
298.98380	3.7
299.99051	1.9
301.00177	1.2
301.03525	1.1
312.99728	0.9
314.00616	2.9
315.15942	0.6
315.25497	4.4
325.07220	0.9
329.10541	0.7
357.09711	2.4
375.80499	0.6
389.12552	0.9
401.08749	4.7
402.09094	0.9
415.28961	1.0
417.24902	1.1
433.11282	1.7
433.25729	1.3
445.07877	1.2
459.27747	1.0
476.29184	3.1
477.05994	5.6
477.24808	2.0
477.30679	15.7
478.06042	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88052	0.4
59.01253	8.4
61.98703	0.5
63.29614	0.4
65.00195	1.0
65.03830	1.0
67.01752	0.5
71.01254	5.1
71.57668	0.5
71.58055	0.6
73.02831	1.3
74.71372	0.5
77.03850	1.4
79.01733	0.4
81.03345	1.2
83.01273	0.9
83.04908	0.5
85.02842	1.5
89.02316	2.3
89.03840	0.9
91.01791	1.3
93.03338	9.3
94.03645	0.4
95.01264	1.4
95.04903	2.7
99.00744	0.7
101.02328	3.0
105.03347	5.7
107.01283	0.8
108.02045	0.5
109.02836	5.3
113.02335	2.0
117.03343	0.6
119.01276	1.2
119.03378	0.9
119.04976	0.5
121.02847	20.3
122.03180	0.6
123.00783	1.2
123.04402	11.6
125.02327	2.6
131.01236	1.0
132.02078	3.3
133.02849	18.9
134.03206	1.2
137.02342	22.7
138.02681	0.9
139.00278	0.4
145.01797	0.4
145.02844	1.6
147.00806	3.2
147.04454	0.5
149.02345	15.1
151.00330	1.4
151.03946	1.0
155.03427	1.2
159.00803	0.9
160.01488	0.5
161.02339	0.8
161.04453	0.8
163.00270	8.4
164.01085	3.7
165.01846	28.4
166.02161	1.3
169.01363	2.7
170.01790	0.6
175.00276	2.4
176.01071	3.0
177.01860	72.2
178.02223	3.6
178.99771	2.7
179.07074	0.9
180.00606	0.7
181.04991	0.5
189.01845	0.8
190.02580	0.5
191.03400	0.5
193.01396	2.1
197.78619	0.5
201.01888	0.5
202.02711	2.2
202.99788	8.0
203.03419	0.9
206.99310	4.2
208.00085	11.8
209.00856	57.1
209.11783	1.3
210.01205	3.0
211.09731	2.3
215.03409	0.6
216.00645	0.5
217.01379	1.9
217.03267	0.4
218.99377	0.8
219.06560	2.3
221.00867	100.0
222.01201	4.9
229.01369	0.6
230.02177	1.8
235.02437	1.0
241.14380	1.2
243.02992	0.7
245.00949	0.7
246.98813	27.7
247.99249	1.7
251.09245	0.4
255.03009	0.5
259.99582	0.9
261.00516	0.7
261.03879	0.8
264.99957	3.1
270.98944	0.8
273.00330	1.3
274.01205	1.6
275.01819	0.5
279.01422	3.1
280.01465	0.5
297.07599	0.8
298.98407	1.1
299.99097	0.7
300.02759	0.4
300.99664	0.8
308.89340	0.5
313.10934	0.7
314.00635	1.4
315.25412	2.2
325.07245	1.2
329.10175	0.5
339.08420	0.5
357.09711	3.0
358.09927	0.4
389.12527	2.1
401.08578	3.0
433.11429	4.2
434.11484	0.4
454.69162	0.4
477.11234	4.6
477.24692	3.8
477.30518	8.5
478.10196	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06940	0.8
58.09924	0.7
59.01239	3.2
63.70892	0.6
65.00185	1.2
69.24112	9.8
71.01273	2.1
73.02829	1.0
77.03841	1.9
80.96429	0.9
88.85548	0.9
93.03345	10.8
95.04895	2.6
98.19733	1.8
105.03349	5.4
109.02856	6.2
115.51678	0.8
121.02850	21.7
123.00751	1.7
123.04411	10.9
125.02290	1.6
132.02037	3.5
133.02855	19.9
135.00769	1.4
137.02345	25.3
139.03877	0.8
139.91704	0.9
145.02887	1.5
146.03220	1.0
147.00827	1.2
149.02344	14.3
155.03392	1.9
161.97171	1.0
163.00287	3.7
164.01082	4.9
165.01851	32.9
166.02325	1.0
169.01344	1.9
175.00032	0.8
176.01065	2.6
177.01855	70.6
178.02199	3.6
178.99783	2.5
181.01253	0.8
193.01385	1.6
206.99271	3.0
208.00072	11.1
209.00854	60.1
210.01199	2.6
211.09698	2.8
217.01419	2.0
219.06584	1.4
221.00873	100.0
222.01228	3.9
246.98796	10.8
247.99040	0.8
249.85292	0.9
257.37006	0.9
261.03925	1.3
264.99863	5.0
274.01129	1.6
326.54526	1.0
357.09741	2.4
383.66132	1.0
389.12378	1.3
401.08813	2.9
433.11490	1.6
477.10272	3.7
477.30258	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.9
57.03320	2.6
59.00954	1.7
59.01252	27.3
61.98729	2.1
65.00194	1.4
71.01260	14.0
71.58236	1.8
72.99199	2.9
73.02821	4.0
73.68857	1.3
75.00751	1.8
85.02834	5.8
87.00759	1.5
89.02312	7.2
93.03352	1.9
95.01257	2.8
101.02341	12.7
106.72384	1.4
107.01207	1.5
109.02835	2.0
111.00739	1.8
113.02349	5.7
117.03330	1.7
119.03391	5.0
123.00787	3.5
123.04429	1.5
124.01567	2.8
125.02334	15.0
131.79562	1.2
133.02846	1.9
137.02403	3.2
139.00249	1.6
141.98152	1.4
143.04994	1.5
145.02867	5.9
147.00758	1.9
147.04437	1.6
148.05177	1.7
151.00273	2.6
159.02896	1.9
160.01561	2.3
161.02383	7.2
161.04439	3.6
161.05746	1.5
163.00298	4.8
164.01053	3.1
165.01869	1.9
168.00552	3.0
169.01329	16.8
171.04437	3.9
173.02377	4.7
175.03979	2.0
176.01099	1.5
177.01837	3.8
183.04475	1.8
185.05933	2.5
187.00302	8.1
187.03871	2.5
189.01866	10.6
190.02635	5.1
197.02367	2.1
199.03874	3.9
200.04727	1.4
201.01854	1.7
201.05453	1.4
213.05466	2.5
214.02728	2.1
215.03435	4.2
216.00586	5.0
216.04187	1.8
217.01422	7.5
225.01920	1.5
225.05548	1.6
226.02609	1.6
227.03487	5.5
229.01369	3.2
229.04961	3.4
230.02274	3.0
239.03458	1.8
240.04340	1.7
241.05032	4.8
242.02237	8.2
242.05867	2.4
242.99374	6.6
243.02960	93.0
243.06778	5.1
243.12740	1.5
244.00110	13.4
244.03299	8.8
245.00908	19.1
245.04590	1.5
246.01515	2.7
246.98892	2.9
251.06987	2.3
255.03027	2.9
255.06488	4.0
256.03870	2.2
256.07169	1.5
257.00909	2.2
257.04504	5.2
258.05319	3.1
259.06229	1.8
259.13257	1.6
267.03046	3.3
267.06583	2.1
268.07321	1.9
269.00998	2.6
269.08075	3.7
270.98862	18.1
271.02469	7.4
271.06146	11.5
271.09729	1.8
272.03101	2.0
272.06781	4.6
273.43173	1.6
277.14496	2.4
279.06625	1.4
281.08185	2.9
284.03287	2.5
285.03946	3.6
285.07620	3.9
286.04773	1.5
286.08344	2.5
288.99899	3.4
295.02469	1.9
297.04160	2.6
297.07672	3.4
298.01407	1.7
298.98337	6.3
299.98944	2.6
301.10846	1.9
311.01904	3.3
313.00146	2.5
313.03214	2.9
314.00693	9.3
314.07785	2.2
315.01163	1.8
315.08789	5.0
315.12369	1.9
315.25333	1.9
317.06723	3.3
317.14017	2.8
318.07422	11.8
319.08014	3.3
321.32410	1.6
325.07114	6.8
329.10281	5.4
331.08145	9.6
331.11850	3.1
333.13489	8.4
341.06781	4.5
342.07388	2.8
343.11856	5.1
345.13409	6.8
357.09811	10.9
360.08292	2.2
361.12933	75.1
362.13354	8.3
367.04422	1.8
369.06204	3.7
371.11108	2.1
387.10648	3.4
389.12433	76.8
390.12900	11.1
401.08801	2.1
405.11755	10.9
413.05011	1.6
415.10233	8.8
417.25064	2.5
433.11374	100.0
434.11829	10.5
477.10468	32.9
477.24338	3.4
477.26205	2.0
477.30972	8.8
478.10706	4.8
491.83569	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1063
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
53.39452	0.6
58.49521	0.6
59.01252	4.6
67.01785	0.7
69.03320	1.7
71.01250	2.5
71.57540	0.9
73.02803	0.9
75.00750	1.3
81.03326	1.0
83.01252	0.9
85.02804	1.7
89.02319	1.4
90.05135	0.6
95.01282	1.3
97.02810	2.3
97.84966	0.6
98.86515	0.6
101.02337	1.5
107.01285	2.5
111.00793	0.8
113.02290	1.4
119.04871	1.0
123.00795	1.5
123.29426	0.6
124.01521	1.5
125.02345	70.3
125.23151	0.7
126.02660	2.4
130.56485	0.6
135.04407	1.5
137.02356	0.9
139.00221	0.7
145.02818	2.8
149.99474	1.0
151.00235	2.5
161.02324	0.7
168.00592	1.9
169.01346	100.0
170.01709	4.3
171.04411	0.8
173.02357	0.7
175.02423	0.6
175.03940	1.5
187.04018	0.7
189.01813	0.7
193.01289	0.7
199.03944	3.0
201.01898	1.1
203.03502	1.4
215.03438	2.6
227.03517	3.0
229.01524	0.8
231.02924	1.2
242.02206	5.2
243.02972	26.4
244.03307	1.8
255.02899	0.9
257.04572	8.2
258.05038	0.9
261.12653	0.6
270.01700	8.0
271.02475	27.5
272.02887	1.3
285.04013	14.1
286.04721	4.7
298.98346	1.5
299.02002	5.8
300.02682	3.6
300.99826	2.2
314.00900	1.6
314.04300	27.7
315.01477	1.6
315.04968	5.8
357.06204	0.6
397.11221	0.6
420.74475	0.6
477.10474	55.2
478.10858	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	477.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68701	1.0
51.27279	0.9
51.51321	1.0
59.01249	11.4
65.00204	1.9
71.01251	7.7
73.02831	1.3
75.02270	2.0
75.89398	1.0
81.03326	1.7
83.01270	1.4
85.02831	3.6
89.02327	2.6
91.01768	4.6
93.03339	2.3
95.01247	2.6
97.92591	1.1
99.00774	1.3
101.02309	6.0
102.23788	1.2
108.02034	3.3
109.02843	8.4
113.02318	4.1
119.01283	8.0
121.02829	2.4
123.00770	2.1
125.02366	3.0
131.01279	5.1
133.02859	1.4
135.00841	1.3
135.04381	1.9
136.01559	1.4
137.02348	40.0
138.02707	1.7
139.00244	1.8
145.02773	1.1
147.00775	24.6
148.01535	5.1
149.02328	1.8
151.00230	1.3
151.03909	2.7
155.03416	1.4
159.00775	4.7
161.04477	1.2
163.00319	7.8
163.03903	2.3
164.01097	9.5
165.01852	51.3
166.02179	1.4
169.01314	1.5
175.00293	23.4
176.01076	35.4
177.01703	3.3
178.99785	6.6
179.03406	3.4
180.00604	1.9
190.02649	4.0
190.99779	1.6
191.03435	8.1
192.00592	3.4
202.99797	54.3
204.00569	7.4
206.99234	3.0
207.02953	4.0
208.00067	30.8
209.00858	76.0
210.01181	3.6
218.99260	1.6
221.00871	6.0
235.02443	23.2
235.04619	1.9
236.02824	2.2
246.98824	90.0
247.99451	12.9
273.00616	1.5
278.47900	1.3
279.01456	100.0
280.01892	10.6
297.07578	1.7
315.25375	2.4
325.07056	1.4
357.09756	1.4
373.08414	1.2
389.12180	1.9
401.08792	1.9
433.11395	4.1
477.10455	1.1
477.25058	2.0
477.30652	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	477.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46330	0.7
59.01248	2.0
69.57310	7.1
71.01254	3.0
80.13206	1.1
85.02844	1.3
87.00731	1.6
89.02320	1.1
90.10209	0.9
95.01266	1.5
97.02884	1.1
98.20524	1.7
101.02326	1.5
102.78315	0.8
107.01276	8.8
109.82259	0.9
113.02356	2.1
117.68147	0.9
119.04917	48.4
120.05251	1.0
123.00753	8.2
124.01588	0.9
125.02340	39.9
126.02670	2.6
127.14746	0.8
139.00259	2.1
140.01031	2.4
141.01837	1.2
151.00267	5.4
161.02345	2.0
163.03918	24.1
164.04343	1.3
166.99762	1.4
168.00594	1.2
169.01338	53.7
170.01659	3.5
192.36143	0.9
200.01146	1.3
242.99275	3.6
245.85960	0.8
258.01813	4.5
270.98843	48.8
271.99243	3.8
275.01968	1.6
283.99606	7.9
285.00345	15.4
286.01160	9.7
287.01456	1.3
297.00397	1.3
298.98325	62.9
299.98837	9.7
300.99918	7.8
301.04648	1.0
302.00217	3.1
312.99991	23.3
313.05615	35.2
314.00671	72.0
314.06363	2.0
315.01114	6.2
325.09137	1.2
341.37131	0.9
433.11209	1.6
477.06686	100.0
477.10797	35.2
478.05743	15.0
478.11368	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	477.1055
Annotation	Rumejaposide C
Peak:m/z	Relative Intensity
59.01253	6.4
67.01764	1.6
71.01263	6.0
72.99196	1.8
74.41981	1.2
76.74748	1.2
83.50642	1.2
85.02827	1.4
89.02286	1.3
93.03364	1.4
95.01273	2.9
97.02892	1.9
98.19721	2.0
101.02333	3.4
107.01269	18.7
107.04900	1.4
111.00794	2.8
113.02334	2.0
119.04916	97.5
120.05276	4.5
123.00782	14.6
124.01621	1.7
125.02338	78.1
126.02682	6.2
137.02322	2.1
139.00278	5.2
140.01080	2.6
141.01865	2.5
145.02885	2.2
151.00256	12.3
163.03931	38.0
168.00572	4.3
169.01337	100.0
170.01689	8.1
187.04132	1.6
201.01773	1.6
203.03555	1.7
211.02493	3.2
235.27159	1.4
258.01511	1.9
261.79932	1.3
270.98975	2.3
275.02054	1.7
285.00345	1.8
298.98264	2.2
300.99921	9.6
302.00336	5.3
313.05637	30.9
314.00723	2.4
314.05881	2.1
433.11426	10.7
459.09286	3.2
477.10510	99.9
478.10727	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	477.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25101	1.2
57.44268	1.1
59.01252	34.5
65.00185	3.9
68.99623	1.3
69.90063	2.9
69.90475	4.4
71.01257	12.3
73.02813	8.2
81.63960	1.2
83.01250	3.0
85.02818	6.0
87.00721	2.9
89.02328	7.7
95.01253	3.7
98.19894	1.8
99.00693	1.3
101.01802	1.4
101.02320	14.0
102.64508	1.1
103.03866	6.9
107.01305	7.8
108.02018	4.9
109.02810	5.6
109.06474	10.6
109.99961	1.6
111.00726	3.6
113.02251	1.9
115.03810	1.8
115.28274	1.2
117.03304	2.3
119.01202	1.3
119.03394	2.8
121.02816	2.8
123.00766	6.6
125.02338	12.6
131.03362	2.2
133.02827	3.6
136.98676	1.4
137.02313	2.5
139.00215	4.2
143.03355	3.2
143.04929	3.2
145.02783	4.2
146.03561	3.6
148.01549	2.1
149.02304	3.6
149.99461	3.0
151.00290	16.5
152.01053	7.4
153.01765	3.6
155.04915	1.3
157.02763	1.7
158.03525	3.4
159.04382	4.2
161.02357	10.8
163.00220	2.6
163.03897	1.7
163.06062	11.3
164.79022	1.5
164.98106	5.2
166.99718	4.0
169.01263	9.6
169.02783	2.9
170.03584	4.2
171.04417	6.6
172.01540	2.8
173.02231	4.8
173.92976	1.3
174.03152	7.0
175.03807	3.9
176.00963	1.9
177.01761	3.8
178.99789	10.9
185.02252	4.4
186.03049	4.2
187.03914	6.4
189.01772	4.2
190.02472	1.7
191.03345	2.3
193.01273	2.4
197.02290	3.9
199.03798	4.9
200.91135	1.3
201.01855	8.2
202.02705	11.2
203.03313	4.9
205.07173	1.5
206.99271	1.6
213.01894	6.2
214.02602	8.0
215.03516	9.7
216.00426	1.7
217.01277	3.2
227.03378	2.7
229.01353	6.1
230.02176	10.1
231.02719	5.7
241.01405	9.6
242.02213	12.7
243.02945	12.0
245.00757	5.6
247.02353	1.5
255.02765	2.0
256.98318	2.0
257.00867	28.2
258.01678	22.2
259.02454	13.5
261.00381	10.3
269.00974	10.6
270.01450	4.9
270.99078	2.6
271.02386	19.2
272.02805	1.3
273.04099	2.2
274.00986	1.8
274.27246	1.4
285.00540	1.4
286.01175	19.4
287.01950	35.9
287.08270	1.2
288.02237	1.5
297.00427	16.2
298.01022	7.4
298.98178	4.2
299.01831	8.1
299.98920	8.7
300.02261	2.5
301.00424	1.7
301.03452	11.4
311.01855	2.4
312.99829	1.6
314.00659	23.0
315.01471	100.0
315.07178	4.7
316.02023	10.4
317.03009	8.4
323.87158	1.7
357.02350	3.0
421.07407	3.4
449.07376	10.2
477.06400	69.2
478.07031	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	477.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81677	0.8
59.01250	11.5
69.53363	4.7
69.53788	3.9
71.01261	5.1
73.91003	1.0
75.00735	2.3
83.01270	1.2
85.02816	1.7
89.02319	2.7
93.03324	1.3
98.19854	2.1
101.02307	2.4
107.01273	1.3
108.08247	1.2
108.08942	1.1
114.02842	1.1
117.03347	2.8
121.02835	1.3
123.00784	1.4
125.02351	5.2
133.02820	2.0
135.04425	7.0
139.00288	1.2
141.25742	1.0
145.02866	4.5
151.00273	2.3
152.01009	1.6
153.43451	1.0
155.07014	2.0
161.02357	7.3
163.00215	1.1
169.01363	6.6
177.01872	1.9
179.03470	7.2
199.03928	1.2
201.98930	1.4
202.99649	1.1
213.98935	1.6
217.01170	2.4
217.76053	1.1
227.03462	1.8
242.99170	1.4
254.99138	2.0
255.03032	1.7
257.00745	1.3
259.99640	1.2
269.98074	10.4
270.98785	10.5
273.00327	2.0
281.06546	1.2
283.99420	1.2
285.00381	11.2
285.97565	19.2
286.00665	1.4
286.98102	3.3
287.01910	1.2
297.07922	1.1
297.97565	2.8
298.98331	10.1
299.01492	1.5
299.99118	2.2
300.02771	3.1
300.99875	10.1
301.03415	3.6
301.99924	1.5
312.99921	7.9
313.07047	1.5
313.97137	53.0
314.00653	10.7
314.97577	6.0
315.01208	2.1
328.99387	100.0
329.99911	13.1
344.01700	43.6
345.02362	9.3
357.06152	4.7
362.27460	1.0
401.05045	3.3
418.04944	1.1
433.07397	1.3
446.05029	1.6
447.05502	4.2
462.04236	5.6
477.06714	64.9
477.30380	1.4
478.07040	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	477.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16143	0.6
53.84050	0.5
53.92820	0.5
62.48763	0.6
69.59959	1.3
69.60368	2.6
84.70235	0.5
88.20470	0.6
98.19850	1.0
104.32433	0.5
119.04944	2.9
119.91827	0.6
123.00816	0.7
124.74431	0.5
125.02352	2.9
163.03894	1.8
169.01349	5.7
170.01703	0.7
202.02330	0.6
238.54057	0.6
242.02130	0.7
242.99367	3.1
258.01505	2.9
268.06491	0.5
270.98831	30.4
271.99127	1.7
283.99597	5.4
285.00363	11.7
286.01166	6.8
297.00211	1.1
298.98328	53.4
299.98871	6.5
300.99734	1.9
302.00125	0.8
312.99918	15.7
313.05389	3.0
314.00681	60.9
315.01172	5.5
404.24570	0.6
477.06625	100.0
478.06970	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	477.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54234	0.7
57.03337	1.1
59.01253	11.8
61.98684	0.9
64.82476	0.6
71.01259	5.3
71.58112	1.1
72.99176	0.7
73.02823	1.5
73.97456	0.8
75.00735	2.1
80.12885	0.7
85.02826	1.8
87.00772	0.7
89.02303	2.8
93.03323	0.8
95.01254	0.9
101.02327	3.1
107.01266	2.1
108.02077	1.3
109.70903	0.7
113.02310	1.7
115.00278	0.8
117.03354	2.0
123.00774	1.5
125.02347	5.7
133.02866	2.5
135.04442	8.4
137.02307	1.5
139.00255	1.3
142.13342	0.7
145.02861	4.8
147.37695	0.7
148.01433	0.7
151.00285	2.3
154.02631	0.8
155.07019	1.1
161.02354	7.4
161.04462	1.8
163.00270	1.8
163.03938	1.3
166.99837	0.8
169.01349	6.9
171.04391	1.0
171.06544	0.9
175.03966	1.0
177.01781	1.4
179.03416	7.8
180.03722	0.8
183.04398	0.8
184.48224	0.7
185.99583	0.7
189.01891	1.2
191.93965	0.8
199.09651	0.9
201.01653	0.9
201.99037	0.8
203.03552	0.9
211.13399	1.1
213.01889	1.0
213.98979	1.1
214.02643	0.9
217.01524	0.9
227.03473	2.2
229.01344	1.5
230.99237	0.8
241.98557	1.1
242.99413	1.0
245.00954	1.7
255.02950	1.5
256.03793	1.0
258.01770	0.9
259.99600	1.3
269.98080	8.2
270.98846	9.4
271.04721	1.0
273.00595	1.4
281.06613	1.6
283.99619	1.1
285.00470	12.1
285.97592	18.5
286.00943	2.3
286.98105	2.1
297.97467	2.7
298.98380	7.1
299.99274	1.5
300.02725	4.6
300.99832	9.3
301.03400	3.4
302.00418	1.2
306.66733	0.8
312.99872	5.7
313.06967	1.0
313.97128	51.4
314.00629	8.2
314.97580	7.4
315.01263	2.2
328.02060	0.9
328.99393	79.3
329.99835	9.2
344.01721	54.4
345.02310	10.6
357.06192	3.2
359.49609	0.9
401.05157	3.3
418.05658	1.6
433.07550	1.8
446.04962	2.0
447.05481	5.2
448.06097	1.0
449.07465	1.5
462.04330	8.4
463.04321	1.3
477.06732	100.0
477.12787	3.6
477.30743	2.2
478.07037	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	476.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.5
64.92827	0.3
69.55122	1.4
69.55542	1.0
71.75126	0.3
78.95782	23.1
84.39052	0.3
96.96841	1.6
97.47459	0.3
98.19831	0.5
122.00026	0.4
125.02303	0.4
134.71339	0.3
140.01086	2.1
152.99503	3.6
168.69977	0.3
169.01361	0.4
171.00580	3.2
193.76524	0.3
196.03688	1.0
214.04819	2.7
261.22217	0.3
279.23294	100.0
280.23636	9.5
280.26791	0.5
328.24490	0.4
402.23853	0.6
476.27835	14.1
477.28094	1.8
489.01184	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2782
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
59.01249	0.5
62.96291	0.3
69.25236	3.0
72.98249	0.3
78.95777	68.2
83.39724	0.3
86.01866	0.4
96.96818	3.0
99.10155	0.3
121.80489	0.3
122.00012	1.0
125.02323	0.4
140.01091	5.7
152.99493	8.6
169.01350	0.4
171.00560	8.2
196.03731	10.7
214.04832	2.7
261.22357	0.4
279.23291	100.0
280.23602	9.3
303.38593	0.4
378.83255	0.4
402.23984	0.7
462.23010	0.3
476.27826	44.0
477.28076	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	475.3429
Annotation	25-Methyldolichosterone
Peak:m/z	Relative Intensity
57.03303	2.8
59.01250	10.1
60.69232	0.6
64.05770	0.7
67.55981	0.6
69.03297	0.9
71.01244	2.3
71.04873	2.7
72.02013	1.2
73.02797	2.8
85.02814	1.6
87.04390	76.8
88.04698	1.6
99.04413	0.9
109.06445	1.3
115.03918	5.8
123.04359	0.8
125.02298	0.9
169.01357	1.0
229.44164	0.9
313.25400	3.3
327.26923	5.3
329.28345	2.3
331.29916	1.9
339.23306	0.8
341.24655	1.2
355.30023	0.9
357.27957	11.4
358.28012	1.0
367.29810	1.3
369.23376	1.2
369.27942	23.4
369.32260	1.2
370.28204	3.4
372.34399	0.8
375.29138	2.2
379.29984	1.7
395.33160	1.2
397.31137	9.1
398.31488	0.9
413.34149	4.5
414.34540	1.5
415.32007	2.1
429.33243	1.2
430.33856	0.9
431.35275	1.2
439.31583	0.9
457.33209	27.7
458.33502	4.9
475.34064	100.0
476.34439	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	476.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02073	0.2
54.86683	0.2
57.03320	0.2
59.01249	4.0
61.98709	0.8
63.46999	0.2
71.01253	1.9
71.58470	0.3
72.99180	0.3
73.02819	0.4
77.65771	0.2
83.01268	0.4
85.02834	0.9
87.00764	0.3
89.02320	0.8
98.18806	0.2
99.00763	0.3
101.02324	1.2
107.01275	0.5
108.02058	10.7
109.02369	0.2
113.02354	0.5
117.03351	0.3
119.03417	0.2
122.02341	0.3
123.00757	0.3
125.02322	1.8
132.02077	1.9
134.03630	0.8
137.02376	0.5
138.01872	100.0
139.02203	3.0
145.02856	0.3
160.01572	6.3
161.02197	0.3
161.04498	0.4
165.01929	0.3
168.02907	0.4
169.01335	1.9
170.01595	0.3
175.03925	5.1
176.04335	0.3
193.04985	0.3
194.99347	0.2
202.99850	0.4
203.03568	0.3
209.00822	0.5
246.98817	0.9
255.06738	0.9
270.99011	0.4
273.00415	0.2
283.99545	0.3
298.98303	0.6
300.99942	0.9
302.00107	0.5
312.99686	0.3
314.00647	0.7
314.04132	0.2
315.25476	0.3
325.07663	0.2
337.08969	0.9
341.10703	0.2
417.24939	0.3
432.10583	0.2
433.11493	0.4
475.28647	0.3
476.09085	0.2
477.06061	0.9
477.24585	1.0
477.30606	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1983
Annotation	Toonaciliatin G
Peak:m/z	Relative Intensity
57.03325	3.0
59.01244	7.4
67.01761	1.4
69.03311	2.3
71.01256	4.2
71.04895	2.0
80.02547	1.4
83.04916	4.5
85.02836	1.6
87.04421	3.1
95.01275	4.0
95.04942	1.7
97.06471	3.0
98.20547	5.3
99.00795	1.5
107.01295	4.9
107.04942	6.1
109.06479	2.8
109.99987	1.6
111.00762	7.4
111.08046	2.1
116.30477	1.2
123.00770	14.5
124.01592	4.0
125.02347	29.1
125.06020	3.2
125.09633	5.4
126.02689	1.5
127.00278	1.5
135.08075	4.0
136.98743	4.6
139.00272	9.8
140.01059	12.1
140.70752	1.3
153.09143	8.0
163.11227	4.8
165.12816	2.3
166.99771	8.8
168.00562	11.3
169.01344	27.7
170.01775	1.4
176.08183	1.3
177.01927	4.4
181.12195	1.3
185.11908	1.5
189.02054	1.5
191.03383	6.9
197.11792	6.9
207.10272	3.3
209.11769	48.4
210.12141	1.9
225.11302	3.5
229.01413	2.1
229.86621	2.4
236.10594	1.8
242.85979	1.4
253.10602	1.7
261.18695	2.6
261.39270	1.6
273.00388	1.4
275.01892	1.7
287.16550	4.3
300.99881	14.9
302.00305	2.7
305.17584	45.0
306.18100	4.6
323.18680	14.3
326.98331	1.9
369.28201	2.0
385.27286	1.5
387.29248	2.6
401.23209	1.7
413.26791	2.5
415.01587	1.4
431.28055	3.0
450.70337	1.4
457.06845	2.7
457.18912	2.1
458.06641	1.6
475.09305	2.9
475.19977	100.0
475.27078	22.9
475.34317	4.6
476.20416	13.9
476.27368	4.0
493.09015	2.7
494.09094	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.2
62.16869	0.4
65.80088	0.3
69.28393	4.0
71.01226	0.5
95.88854	0.3
125.02354	0.9
130.00441	0.4
145.99980	0.6
165.75525	0.4
169.01302	0.7
185.99477	0.7
197.99507	1.9
213.98972	0.7
229.01477	0.5
241.98572	1.5
254.99370	1.8
257.00830	1.9
269.98059	30.8
270.98434	2.8
278.72073	0.4
282.98975	0.5
285.00409	16.6
286.00876	0.9
297.00290	0.5
297.97543	58.2
298.97986	4.3
299.01239	0.6
312.99896	100.0
314.00223	8.0
327.01556	0.5
328.02234	59.4
329.02573	4.9
460.06418	9.7
461.06897	0.9
475.08823	53.7
476.09161	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	475.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.5
59.01249	4.1
69.03325	3.1
71.01263	9.0
71.26729	3.3
72.97413	6.6
72.99176	2.9
73.02824	2.4
75.00748	2.7
85.02831	4.2
87.00760	6.9
89.02342	2.0
92.07491	1.5
93.03333	3.5
93.47594	1.5
95.01275	3.9
97.02839	3.3
98.02352	2.1
99.00780	2.8
101.02309	3.0
105.01799	3.6
106.45602	1.4
107.01273	35.9
107.04904	1.5
109.02821	2.6
111.00734	3.2
111.04353	2.4
113.02313	2.5
115.00262	4.7
117.03315	1.9
119.04870	2.7
123.00755	6.7
124.01614	3.6
125.02342	79.2
126.02669	5.4
127.03894	1.6
133.01332	12.8
133.02827	1.9
133.04959	5.2
134.97414	1.5
135.04427	5.1
137.02354	3.8
139.00291	4.5
140.01120	1.5
145.02863	6.4
147.04401	3.3
151.00302	3.2
151.03899	1.9
153.05432	1.8
157.02919	2.0
159.04402	2.3
161.02353	4.5
162.28062	1.5
163.00229	3.6
163.03902	3.8
165.01888	3.4
165.03972	11.1
166.99861	1.6
168.00557	3.8
169.01347	100.0
170.01666	5.8
173.02318	4.4
173.04501	1.8
175.03905	4.2
179.03441	5.7
179.06993	2.7
185.02428	2.8
187.03920	1.9
189.01857	5.9
191.03395	6.4
191.05542	14.3
193.01207	1.9
201.01918	4.2
203.03372	2.9
203.45070	1.6
205.05005	2.5
211.02455	2.1
216.00751	1.9
217.01387	11.6
219.02872	2.9
222.01649	1.7
223.02364	2.6
225.07704	1.6
229.01385	6.5
245.00896	13.6
246.01622	2.0
247.02454	21.1
248.02713	3.8
257.00937	3.7
261.00378	2.2
269.06595	1.7
270.42233	1.6
271.04736	5.4
273.00403	22.6
274.00763	6.0
275.01987	6.3
291.01343	2.7
299.99124	3.1
300.99875	43.8
302.00229	5.3
313.05594	5.1
323.09750	1.7
377.02609	1.7
385.07715	4.7
431.11771	4.3
439.08539	1.9
453.03699	3.1
475.10461	23.0
476.11813	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	475.088
Annotation	Isoscutellarein 8-O-beta-D-glucuronide 6''-methyl ester
Peak:m/z	Relative Intensity
56.45126	0.7
59.01250	15.8
59.21230	0.7
61.98701	2.8
68.99669	0.8
71.01257	7.2
71.26264	0.6
71.57439	0.8
73.02813	1.8
75.00756	0.9
83.01253	1.2
83.04893	0.8
85.02819	2.2
89.02307	2.2
95.01272	2.5
95.04900	0.9
96.95882	0.8
101.02316	5.5
107.01261	3.2
108.02081	0.9
109.02840	1.1
113.02336	2.3
117.03289	1.5
119.01287	1.3
119.03395	1.3
121.02856	0.9
121.71380	0.8
123.00748	3.4
125.02334	9.8
128.02565	5.2
132.02075	2.0
133.02859	1.2
136.01439	0.8
138.07045	0.7
139.00230	1.2
143.01222	0.7
145.02852	3.7
147.00771	2.0
147.04367	1.2
148.01561	2.9
156.02089	2.1
157.02850	1.2
158.36644	0.8
159.00758	1.4
159.04451	0.8
160.01553	4.0
161.02396	4.2
161.04491	1.9
163.00256	1.8
163.03954	1.5
164.01044	1.4
166.99770	1.8
169.01343	10.5
171.00812	3.2
171.04509	0.8
172.01628	4.0
173.02377	3.6
174.03119	0.9
175.00290	1.1
175.03929	2.4
176.01070	1.4
177.01865	3.4
181.04965	0.7
185.02313	1.4
187.00288	4.7
188.01099	1.7
189.01872	6.7
190.02586	2.0
190.99820	1.4
191.03371	1.1
195.04384	1.4
199.00316	2.2
200.01088	26.1
201.01863	9.5
203.03400	2.8
205.01431	1.1
209.06046	1.6
211.03928	2.1
211.07669	0.8
213.05295	0.8
214.02646	2.1
214.99825	8.5
215.03413	2.5
216.00488	5.0
216.04086	1.5
217.01376	6.2
219.02957	1.6
219.06557	3.7
223.04031	1.0
223.07645	1.3
225.05544	1.3
227.03482	1.6
228.00511	1.3
229.01346	7.0
229.04889	1.1
231.02946	6.4
232.03365	0.9
239.03465	2.0
240.04266	2.3
241.05051	1.4
242.99216	1.7
244.00014	1.3
245.00879	11.0
247.02393	6.1
248.03101	2.2
250.02663	0.9
251.07092	2.1
253.05078	6.7
254.05745	1.7
255.03029	2.0
255.06561	2.0
259.02374	4.5
259.99603	13.7
261.00180	2.0
261.04022	6.7
266.02167	1.1
267.02979	5.9
267.06561	3.4
268.07333	2.2
269.04623	0.9
269.08115	3.7
270.98801	0.8
273.00571	1.4
273.04034	2.3
275.01926	3.6
279.06631	1.0
281.04492	3.4
283.09705	2.6
285.04056	5.9
286.98386	4.5
288.99811	0.9
294.01706	1.0
295.05963	3.5
295.22629	1.5
296.06842	7.0
297.04086	1.4
297.07379	1.1
298.04782	4.0
299.05612	1.0
299.09039	1.2
300.99942	7.2
302.00198	1.3
309.07693	1.1
313.07269	2.6
313.24026	1.1
314.07736	1.1
314.97821	2.1
318.00150	1.0
319.00885	10.5
320.01321	1.3
323.05606	2.3
325.03531	1.6
326.04324	2.1
327.08710	7.2
328.09436	1.5
340.05826	1.6
347.00613	1.3
355.04291	1.0
355.08310	11.8
371.07593	1.0
387.10840	4.9
399.07193	5.1
431.09872	6.6
443.06204	2.6
475.08795	100.0
475.29028	10.3
476.09167	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	475.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14949	0.8
57.03318	0.8
59.01258	14.5
61.98684	1.5
64.67366	0.9
70.42306	1.6
70.42702	1.2
71.01257	7.3
72.99183	1.2
73.02821	1.7
75.42164	0.7
83.01243	1.2
85.02834	3.1
89.02343	2.5
89.67984	0.8
90.29558	0.7
93.03371	1.3
95.01284	1.6
98.19899	1.0
101.02322	4.5
107.01268	4.3
111.97388	0.7
113.02325	3.1
117.05400	0.8
119.03390	2.0
119.47286	0.8
123.00733	2.9
125.02345	9.0
132.02092	1.8
133.02893	1.0
144.02156	0.9
145.02805	2.0
145.04973	2.5
159.03015	0.9
160.01578	1.4
161.02373	2.2
161.04518	2.4
163.00348	1.4
163.06001	0.9
166.99892	0.9
169.01376	9.2
169.02818	1.4
169.06299	1.1
172.01559	2.3
173.02296	1.9
176.01085	2.3
177.01854	1.1
177.05614	1.0
185.06042	0.9
187.00330	1.4
188.01068	2.4
189.01837	1.8
190.02594	1.3
195.04526	1.2
197.05946	2.1
200.01103	5.7
201.01880	2.9
201.09164	1.4
202.99780	1.2
203.03517	1.2
204.00594	0.9
209.06096	1.4
209.11807	4.0
211.03929	3.1
213.01813	1.0
213.05574	0.9
214.99876	1.3
216.00569	1.9
217.01448	2.8
223.07735	1.1
225.05560	2.3
226.02589	1.2
228.00598	2.9
229.01254	4.1
231.03047	2.2
232.00055	2.7
236.04895	1.0
239.03432	4.7
239.07153	1.4
240.04208	1.0
241.01369	2.6
241.05132	1.1
245.00964	2.1
246.01649	1.2
246.98810	2.0
247.02351	1.4
251.03545	1.4
253.05070	7.5
254.05643	1.6
255.03059	1.1
259.02304	1.5
259.99606	32.4
261.00137	2.6
261.04013	1.3
266.02243	1.1
267.03201	5.7
267.06354	5.0
268.07355	1.5
269.04553	3.5
269.08127	1.9
270.05240	0.9
271.99854	2.1
273.00391	2.6
275.01862	1.4
275.75845	1.1
279.06613	1.1
280.03802	1.5
281.04544	5.9
283.02573	1.2
286.98209	1.2
295.03195	1.0
295.06027	5.4
296.06653	3.9
297.03998	1.4
298.04831	9.9
299.05286	1.7
300.99863	9.0
302.00150	1.1
311.02112	1.5
311.05612	1.3
311.09390	1.1
312.02875	1.4
313.07343	1.9
313.24146	1.3
319.00876	2.7
323.05643	3.7
325.03571	8.1
325.11346	8.8
326.04514	4.3
327.08771	2.6
328.09451	0.9
340.05975	7.2
343.21225	2.2
355.08231	14.8
356.08527	1.8
387.10962	1.0
399.07224	100.0
400.07562	10.9
415.92593	0.9
431.09781	1.9
450.61868	0.8
474.26108	0.9
475.08905	19.6
475.22086	2.5
475.29111	6.9
476.09250	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	474.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.3
62.97939	0.4
63.28554	0.4
78.95776	30.0
96.96836	1.8
112.30903	0.4
123.97893	0.4
136.56844	0.4
140.01093	2.8
141.08774	0.4
152.99484	4.0
153.99869	0.4
158.24054	0.4
169.01312	0.8
171.00533	3.7
172.30276	0.4
196.03726	1.3
214.04825	3.4
229.56589	0.5
277.21719	100.0
278.22052	10.3
334.72995	0.4
474.26233	15.8
475.26642	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	474.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.6
61.95592	0.4
62.96280	0.6
68.09192	0.3
71.01244	0.6
71.04796	0.8
78.64443	0.3
78.95778	27.0
82.34261	0.3
83.04927	0.3
89.29540	0.3
97.06517	0.3
122.00006	0.7
125.02311	0.4
134.98398	0.4
140.01102	6.7
152.99527	1.7
166.02654	0.3
167.84908	0.3
169.01323	0.9
196.03749	14.0
196.05576	0.8
197.03983	0.4
214.04836	3.0
233.22752	0.5
277.21722	100.0
278.22070	10.9
278.24429	0.2
299.27615	0.3
405.03268	0.3
413.30533	0.5
417.91022	0.3
464.87601	0.3
474.26273	22.8
475.25629	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	474.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	25.4
65.00201	3.0
65.99706	1.7
71.01258	9.9
73.02824	2.3
83.01250	2.4
85.02811	2.8
87.00771	1.7
89.02311	4.3
91.01780	1.8
93.03345	5.6
95.01272	3.6
97.02858	2.5
98.19666	3.5
99.00763	2.5
101.02325	4.3
107.01269	13.4
108.02044	2.2
109.02852	3.7
111.00781	2.6
113.02356	2.9
117.03370	1.9
119.03413	1.6
119.04861	2.2
121.02811	3.9
122.02399	1.5
123.00761	13.5
123.04487	2.2
124.01559	1.6
125.02336	26.7
125.27135	1.8
126.02724	2.0
132.02083	5.6
133.02881	3.2
134.02423	6.6
135.00761	1.8
137.02341	15.0
139.00267	3.5
140.00999	2.6
145.02827	4.2
146.02367	2.5
149.02359	4.0
151.00275	19.5
151.57498	1.4
152.00977	3.6
161.02362	2.7
161.04526	3.3
162.01851	17.6
163.00301	6.8
163.03914	3.1
164.03444	22.0
165.01796	1.8
166.99760	4.6
167.03397	2.7
168.00539	2.3
169.01347	37.2
170.01657	2.8
171.03078	3.1
175.00270	2.1
176.01103	1.7
177.01849	20.1
178.99733	8.5
186.01939	6.5
190.01431	5.3
192.00511	1.9
193.01369	3.1
201.05501	1.8
202.99747	1.6
203.02190	7.1
204.02977	17.8
211.03973	3.0
215.03465	2.0
217.01328	2.4
227.03474	7.1
229.01387	3.0
229.05067	3.8
229.85835	2.1
230.01031	2.3
238.05034	2.4
239.03484	2.0
243.02945	3.5
245.04425	2.9
247.02415	2.1
250.05002	1.8
255.02966	18.9
256.03641	2.6
257.04398	4.5
265.07147	3.9
266.04669	2.4
268.03717	3.0
269.04510	3.3
270.04053	3.1
271.02518	5.2
272.03241	4.4
273.00522	2.5
273.04062	4.8
275.01941	3.3
278.04517	2.9
279.02975	9.1
283.02518	11.3
283.08328	1.9
284.00412	1.8
284.03159	9.1
285.03922	4.7
294.04156	3.2
295.04999	2.3
297.04108	4.8
299.99341	3.1
300.02835	11.5
300.99948	18.5
301.03574	25.9
302.00299	3.4
302.03824	3.0
305.03461	2.2
306.04129	17.7
309.06137	4.4
312.05243	1.7
313.05716	3.5
318.41061	1.9
323.04382	24.3
324.05106	43.2
325.05460	4.5
341.05383	40.4
342.06003	8.5
354.08249	11.1
380.06177	2.9
411.03699	2.8
416.07245	3.9
433.07718	19.2
456.09247	16.5
457.10242	2.7
474.10477	100.0
474.16644	6.3
475.10529	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	474.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	14.8
59.76500	1.5
65.00204	3.8
65.90107	1.5
65.99701	2.5
71.01273	4.8
79.49322	1.6
89.02319	5.2
92.37915	1.7
93.03336	5.7
94.83396	1.6
95.01281	4.4
96.00803	4.2
97.02899	2.2
98.20553	4.6
100.52161	1.7
101.02347	2.2
107.01289	9.5
109.02840	4.0
111.00858	2.0
117.03339	2.1
121.02820	4.5
123.00768	8.1
124.01569	1.9
125.02357	18.1
132.02069	4.9
133.02895	2.7
134.02368	7.0
135.00800	2.2
137.02354	15.6
139.00240	2.4
141.01816	2.5
145.02850	4.2
146.02271	2.3
149.02316	2.8
151.00294	19.1
151.03935	2.9
152.01103	3.1
161.02350	2.2
162.01874	17.7
163.00296	7.1
163.03935	2.8
164.03433	19.6
166.99736	2.2
168.00479	3.0
169.01355	29.1
169.22260	1.8
173.02325	2.0
176.01018	2.3
177.01865	22.7
178.99796	6.1
183.04459	2.1
186.01901	8.6
187.03912	2.2
189.03935	1.6
190.01477	5.7
193.01590	2.5
194.65518	1.7
201.05441	2.3
202.99956	3.0
203.02197	8.0
204.02956	15.7
227.03520	7.8
229.05069	2.8
229.28363	1.8
239.03482	2.2
243.02977	3.5
245.04523	2.3
251.03270	1.7
255.02942	20.2
256.03729	3.1
256.06204	2.7
257.04578	5.0
265.07126	4.2
266.04355	2.0
267.03085	1.9
269.04617	2.4
270.03992	2.6
271.02499	6.0
272.03168	2.6
273.03864	3.1
278.04568	2.8
279.03061	7.9
283.02469	10.7
284.03162	8.3
285.03894	3.5
294.04285	1.9
297.03961	4.5
299.04446	2.3
299.99597	2.7
300.02679	13.3
300.99908	14.6
301.03583	31.9
302.00464	1.8
302.03894	2.9
306.04095	17.0
309.06122	3.7
312.05392	2.8
323.04382	23.4
324.05151	48.0
325.05478	4.3
341.05435	34.2
342.06006	9.7
354.08344	11.9
380.06308	4.4
416.07758	4.3
433.07819	17.9
456.09207	16.4
473.16467	2.6
474.10461	100.0
474.16843	6.1
475.10904	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	473.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
61.87814	1.3
81.97417	1.1
96.95874	1.6
123.00767	1.4
131.42111	1.2
159.63625	1.3
169.01323	1.6
171.89560	1.4
221.47639	1.4
229.31615	1.5
292.25607	1.5
315.11218	1.4
473.28091	4.0
473.37253	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	473.3637
Annotation	Sipholenone E
Peak:m/z	Relative Intensity
67.43977	0.3
81.98893	0.3
84.45287	0.3
85.06464	4.9
87.04394	1.5
97.06432	0.5
109.31735	0.3
114.29523	0.3
130.38530	0.3
191.44832	0.3
229.26140	0.4
313.25232	1.8
321.81693	0.3
327.26709	0.4
329.28564	2.0
341.28381	1.2
348.15176	0.3
357.31598	2.8
357.35495	0.4
358.31982	0.4
369.31653	1.0
373.34763	27.2
374.34964	3.8
385.34705	1.8
399.32681	8.3
400.33206	1.0
411.36008	1.0
417.33755	47.2
418.34070	8.0
429.33661	13.4
430.33932	2.7
473.36374	100.0
474.36697	18.5
474.46951	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.8
57.03328	7.7
59.01252	60.2
71.01253	24.0
71.01616	1.8
71.04900	1.5
72.97218	0.9
72.99191	1.1
73.02821	9.5
75.00739	1.8
76.63809	1.0
79.05414	1.1
83.01273	4.1
83.04881	5.9
85.02827	14.6
87.00755	12.1
89.02321	5.8
95.01256	2.9
97.02872	1.1
97.06474	2.5
99.00773	2.8
101.02330	26.1
102.02625	1.4
107.01320	1.6
107.04910	7.5
111.00765	2.4
113.02325	11.7
119.03379	1.6
120.05732	7.1
123.00763	2.7
125.02341	7.8
133.10159	1.2
135.04449	4.7
135.08087	1.8
135.11729	4.3
141.05399	1.0
143.08618	1.2
145.02913	2.2
145.10167	1.3
149.03946	1.0
151.00313	1.7
151.03932	1.3
152.04738	2.3
159.02882	2.3
159.08125	1.5
159.10239	2.2
161.04456	13.1
161.09636	28.3
161.13297	16.0
162.09973	1.4
162.13670	1.4
163.11272	3.0
166.99850	2.5
168.00606	1.3
169.01347	8.8
171.08109	1.0
179.05583	1.1
179.10693	7.4
180.06660	1.4
187.11227	42.5
188.11581	3.5
189.09149	28.2
189.10786	1.7
190.09532	1.5
203.10748	1.3
205.12291	18.8
206.12624	1.5
207.10196	6.4
223.08177	20.7
223.10255	1.3
223.13303	1.5
229.36195	1.2
231.10294	2.7
249.11368	10.1
267.12524	12.7
268.12848	1.8
285.04138	1.2
298.98227	1.2
299.99213	1.3
301.00015	4.6
321.15558	2.7
329.12598	2.8
330.12543	1.1
455.19458	2.5
473.20438	100.0
474.20627	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	473.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61522	1.0
55.01758	1.8
57.03311	5.0
58.02871	2.0
59.01255	53.5
61.98699	1.9
69.03331	1.6
69.62064	3.3
69.62473	4.4
71.01256	18.8
72.99171	2.2
73.02828	6.7
75.00743	1.7
79.05406	2.4
79.17437	1.0
83.01273	4.7
83.04893	4.0
85.02829	10.4
87.00754	11.3
87.72861	1.1
89.02312	4.8
93.03332	1.4
94.27006	1.1
95.01258	4.5
96.00834	1.5
97.06489	2.0
99.00751	2.6
101.02330	33.2
101.05968	1.7
102.01854	2.0
104.93242	1.1
105.06988	1.3
107.01270	8.1
107.04917	5.8
111.00778	2.6
113.02350	7.2
120.05700	4.8
123.00777	6.9
125.02341	22.1
129.01779	1.3
133.10129	1.3
135.04443	9.3
135.11703	1.8
136.98747	1.3
139.00256	3.5
139.06360	1.0
140.01062	1.8
146.07231	1.6
148.19402	1.1
151.00256	3.9
157.06500	1.7
159.02911	1.9
161.04448	9.2
161.09637	25.4
161.13284	13.9
162.09964	1.7
163.00290	3.3
163.11240	2.8
164.04755	1.2
168.00537	2.3
169.01353	31.0
170.01657	1.5
171.08073	1.5
179.10745	6.1
187.11221	41.1
188.11531	2.6
189.09152	25.9
190.09424	1.4
205.12303	17.7
207.10220	5.1
209.00864	2.3
223.08191	18.7
231.10231	2.1
249.11365	8.7
255.02931	1.4
267.12408	12.2
300.99899	17.5
301.03360	2.9
302.00235	2.6
329.12463	3.3
343.32999	1.2
391.77890	1.1
400.36890	1.4
429.08597	2.6
455.19415	2.3
473.06995	6.3
473.20300	100.0
474.20609	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	473.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42304	2.0
55.57934	1.7
57.03325	7.4
59.01252	75.2
66.02661	1.7
67.90580	2.1
69.03305	3.0
71.01259	30.9
72.99211	2.1
73.02803	9.5
83.01262	7.0
83.04910	3.7
85.02826	12.4
87.00742	16.7
89.02313	6.4
95.01257	5.2
95.04896	2.6
97.06483	2.4
98.20657	4.2
99.00745	3.9
101.02319	25.4
107.01282	5.3
107.04918	7.6
109.06494	2.3
111.00741	2.3
113.02361	10.9
113.03059	2.0
119.04919	2.5
120.05699	6.7
123.00751	9.8
123.04442	4.0
125.02348	19.1
135.04408	10.5
135.11705	4.1
139.00279	3.9
140.01045	3.3
151.00256	6.3
152.04721	2.2
159.02988	2.2
161.02425	2.8
161.04482	13.9
161.09625	27.0
161.13269	16.5
163.03831	2.3
163.11217	3.5
167.03441	6.5
168.00589	8.1
169.01337	29.9
170.01636	2.8
176.66888	2.4
179.10745	9.9
187.11209	43.1
189.09148	28.3
191.56819	1.8
203.68381	1.9
205.12300	18.3
207.10124	12.6
211.02441	7.0
223.08215	21.1
223.13197	2.1
224.08359	2.0
229.01291	2.4
230.26106	2.0
230.30246	3.4
231.10121	3.0
249.11337	10.4
267.12427	12.5
271.04626	9.0
273.07785	6.4
274.07990	3.0
300.99878	5.7
301.03317	2.6
329.05365	2.7
428.12680	2.3
463.91763	2.1
473.20248	100.0
474.13989	5.7
474.20673	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	471.3478
Annotation	3alpha-Hydroxy-2-oxofriedelane-20alpha-carboxylic acid
Peak:m/z	Relative Intensity
58.57119	1.0
69.38702	7.8
69.39121	2.6
85.06466	43.2
86.06837	1.0
95.04882	1.4
97.06490	2.9
130.82977	0.9
150.51144	0.9
297.22314	1.9
301.73639	1.1
306.94513	1.0
308.09360	1.1
312.11649	1.0
313.25473	7.7
321.06281	1.1
329.28531	4.8
385.34738	20.1
386.35159	2.5
393.31677	2.6
399.32657	1.3
409.34720	2.8
427.35782	4.7
471.34808	100.0
472.35217	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	472.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	2.2
66.65681	1.3
71.01247	3.6
72.99184	1.1
76.02955	1.2
91.32713	1.2
95.01262	2.9
107.01270	3.1
111.00790	1.8
123.00782	6.3
124.01456	1.6
125.02329	10.2
127.00214	1.5
134.03627	1.5
139.00276	2.1
139.60986	1.1
140.00990	1.3
151.00288	2.5
151.08662	2.4
157.08585	3.6
161.02393	1.4
161.83728	1.3
163.00337	1.8
166.99757	1.7
168.00533	1.7
169.01311	12.6
175.03873	2.1
185.02435	1.6
199.00433	1.5
200.01118	3.2
214.99794	3.6
216.00565	3.0
228.00754	1.7
229.01312	2.7
242.99219	7.6
243.99973	2.5
247.02205	1.3
254.99287	1.4
256.00092	2.0
257.00919	3.6
270.98846	60.7
271.99347	5.5
283.99524	8.1
285.00305	2.7
297.00436	1.9
298.01163	5.3
298.98343	72.0
299.99075	91.2
300.99847	37.3
302.00165	3.2
310.10501	1.7
310.98425	1.4
311.99207	1.9
312.99896	22.2
314.00357	3.6
319.14105	1.5
323.00555	2.9
324.01468	4.0
327.01489	3.2
328.99442	12.4
329.99994	1.4
339.00177	29.4
340.00717	7.2
351.33911	1.5
356.98648	6.1
387.04202	1.4
415.02908	4.9
432.03320	100.0
433.03738	10.1
444.61420	1.3
445.04010	1.9
471.15256	12.7
472.05231	34.4
472.15274	18.2
473.05707	3.0
473.16617	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	471.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08419	0.5
57.03332	0.7
59.01253	10.1
61.50702	0.5
61.98703	0.6
65.00192	0.8
67.01747	1.1
69.03335	1.3
69.79242	3.7
71.01258	7.9
72.99158	0.7
73.02818	1.1
75.00734	1.0
81.03350	2.7
83.01266	2.6
85.02814	3.6
89.02315	4.1
93.03358	1.4
93.16468	0.5
94.68190	0.5
95.01266	1.8
96.96849	0.7
97.02810	0.8
98.19855	0.9
99.00778	1.0
99.04433	0.6
101.02325	5.4
107.01245	2.6
108.02041	1.6
108.38281	0.5
109.02862	1.0
111.00745	2.7
113.02326	3.2
116.07897	0.6
116.23480	0.5
119.03376	0.9
119.04928	2.0
123.00774	11.9
123.04424	6.7
124.01568	0.7
125.02342	20.2
126.02676	1.0
127.00253	1.3
135.04379	0.9
136.60075	0.5
136.98676	1.0
137.02351	0.9
139.00276	5.8
139.03909	1.1
140.01054	3.0
141.01799	1.3
141.28133	0.6
144.88046	0.5
146.59067	0.5
149.02336	0.8
151.00282	9.1
152.00960	1.4
153.01735	0.7
153.05496	0.7
155.07048	0.9
161.02365	0.7
161.04547	0.8
163.03918	0.8
166.99878	1.0
167.03416	20.6
168.00569	4.5
168.03770	0.6
169.01347	22.9
170.01695	0.8
171.06560	2.3
179.03458	3.1
185.08133	2.2
195.06622	1.2
205.01321	0.6
211.02451	8.1
213.07654	1.3
271.04630	11.3
273.07690	30.6
274.08044	2.3
301.03534	1.1
311.22845	0.5
313.05695	4.1
317.12378	1.1
323.17056	1.0
388.75214	0.6
435.12836	2.0
471.18756	100.0
472.19156	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	471.3478
Annotation	Hispidone
Peak:m/z	Relative Intensity
50.40046	0.4
50.77031	0.5
55.01775	0.4
57.03333	0.6
59.98393	0.6
73.02830	3.1
85.06483	1.4
89.54683	0.4
96.35957	0.4
96.87817	0.5
97.06491	1.5
108.96106	0.4
111.08046	0.7
123.08039	0.5
135.08118	0.5
172.34422	0.5
177.12761	0.5
183.13831	0.8
191.14510	0.5
193.15985	2.0
221.19159	1.1
229.38287	0.5
232.46715	0.4
259.16931	2.2
287.20291	1.4
289.21811	1.2
305.99927	0.5
383.33524	1.5
398.61188	0.5
409.30914	0.7
411.32693	4.8
412.33142	0.9
427.31326	3.7
427.36597	1.7
428.32437	1.0
471.35034	100.0
472.35440	19.0
481.74606	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08419	0.5
57.03332	0.7
59.01253	10.1
61.50702	0.5
61.98703	0.6
65.00192	0.8
67.01747	1.1
69.03335	1.3
69.79242	3.7
71.01258	7.9
72.99158	0.7
73.02818	1.1
75.00734	1.0
81.03350	2.7
83.01266	2.6
85.02814	3.6
89.02315	4.1
93.03358	1.4
93.16468	0.5
94.68190	0.5
95.01266	1.8
96.96849	0.7
97.02810	0.8
98.19855	0.9
99.00778	1.0
99.04433	0.6
101.02325	5.4
107.01245	2.6
108.02041	1.6
108.38281	0.5
109.02862	1.0
111.00745	2.7
113.02326	3.2
116.07897	0.6
116.23480	0.5
119.03376	0.9
119.04928	2.0
123.00774	11.9
123.04424	6.7
124.01568	0.7
125.02342	20.2
126.02676	1.0
127.00253	1.3
135.04379	0.9
136.60075	0.5
136.98676	1.0
137.02351	0.9
139.00276	5.8
139.03909	1.1
140.01054	3.0
141.01799	1.3
141.28133	0.6
144.88046	0.5
146.59067	0.5
149.02336	0.8
151.00282	9.1
152.00960	1.4
153.01735	0.7
153.05496	0.7
155.07048	0.9
161.02365	0.7
161.04547	0.8
163.03918	0.8
166.99878	1.0
167.03416	20.6
168.00569	4.5
168.03770	0.6
169.01347	22.9
170.01695	0.8
171.06560	2.3
179.03458	3.1
185.08133	2.2
195.06622	1.2
205.01321	0.6
211.02451	8.1
213.07654	1.3
271.04630	11.3
273.07690	30.6
274.08044	2.3
301.03534	1.1
311.22845	0.5
313.05695	4.1
317.12378	1.1
323.17056	1.0
388.75214	0.6
435.12836	2.0
471.18756	100.0
472.19156	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	471.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	6.3
60.56689	0.3
63.78619	0.3
65.00214	0.4
67.01750	1.2
69.03321	0.8
71.01254	5.3
71.57462	0.7
72.99180	1.0
73.02818	0.8
76.40211	0.4
79.01759	1.3
81.03344	0.5
83.01250	1.2
85.02843	1.7
87.00736	0.7
89.02312	4.1
95.01244	2.7
97.02818	0.8
99.00739	0.7
100.37157	0.4
101.02324	4.0
107.01268	4.0
107.67873	0.3
109.02813	0.5
109.06493	0.6
111.00763	2.1
111.08035	3.6
113.02340	2.5
113.09576	0.4
119.03417	1.8
119.04858	0.4
123.00771	16.9
124.01526	1.3
125.02335	16.9
126.02638	0.6
127.00260	1.0
131.45490	0.3
135.04402	0.3
136.98694	1.3
137.02313	0.4
139.00273	5.5
139.07549	14.8
140.01042	2.9
140.07877	0.8
141.01843	2.4
145.02821	0.6
151.00278	10.2
151.03828	0.6
152.00677	0.6
153.01816	0.8
154.99751	0.8
157.07379	0.7
157.08606	9.6
158.08929	0.4
161.02318	0.5
163.00267	0.5
163.03935	0.7
166.77144	0.3
166.99741	0.9
168.00565	3.6
169.01337	19.7
170.01680	1.1
190.99854	0.4
211.02394	1.8
217.01427	0.5
223.77000	0.3
271.04578	1.0
273.00354	0.4
300.99973	1.8
302.00375	0.7
313.05548	0.9
319.13962	14.9
320.14240	1.0
354.28067	0.3
433.79770	0.4
453.13943	4.1
454.13885	0.5
471.15027	100.0
472.15396	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	471.151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37117	0.4
58.00478	0.5
59.00948	0.7
59.01251	11.7
67.01765	1.0
69.03320	1.0
71.01257	5.9
71.20949	1.3
72.99189	1.2
79.01768	1.6
81.03341	0.5
83.01263	1.5
85.02825	1.8
87.00764	0.5
89.02321	5.4
95.01272	3.1
95.45470	0.5
97.02831	1.1
99.00815	0.6
101.02316	4.8
102.09612	0.4
107.01272	4.0
109.02814	0.6
111.00797	2.5
113.02329	2.6
119.03384	2.9
123.00777	18.2
124.01650	0.9
125.02339	22.0
126.02694	0.7
127.00246	1.0
136.98718	1.4
139.00267	4.8
139.07562	5.6
140.01077	3.8
141.01881	2.7
151.00278	12.5
153.01857	0.6
157.08673	0.6
161.02333	1.2
166.99821	0.4
167.03409	0.7
168.00566	4.4
169.01341	25.3
170.01671	1.4
175.03914	0.8
211.02444	10.7
212.02635	0.5
215.18631	0.4
215.21303	0.5
233.50620	0.6
270.98877	1.4
271.04575	6.7
298.98398	1.2
299.98944	1.2
300.99936	1.7
309.11923	1.0
313.05673	0.8
319.14017	1.7
339.00317	0.4
374.85257	0.4
427.15704	0.5
432.03308	1.2
453.13992	7.5
454.14542	1.1
471.15057	100.0
472.05118	0.7
472.15421	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	470.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.6
59.01250	50.2
61.98701	3.2
67.01765	1.6
69.56227	6.9
71.01259	17.6
72.99169	1.3
73.02830	5.7
74.82389	0.9
78.95779	4.8
80.96397	3.1
83.01253	5.0
85.02834	6.3
87.00774	2.7
89.02314	9.7
94.02882	1.8
95.01262	4.5
96.95889	2.7
96.96843	7.5
97.02798	2.4
98.02359	46.8
99.00775	4.9
99.01888	9.3
101.02332	13.3
106.02865	1.2
107.01281	5.5
109.02818	1.3
110.02367	14.5
111.00769	4.9
113.02322	7.9
115.91963	1.7
119.03397	4.0
121.02808	1.5
122.02329	1.5
123.00771	21.2
125.02346	20.9
127.00246	1.9
127.50340	1.0
135.04398	1.3
136.98743	1.3
137.02335	1.6
139.00275	7.5
140.01074	4.9
141.01837	3.3
143.03459	1.1
147.74480	1.1
151.00266	9.3
153.01814	1.3
159.02917	2.5
161.04466	6.1
164.03397	1.2
166.59215	1.0
166.99754	1.7
167.89639	1.1
168.00571	3.6
169.01344	24.1
179.05577	3.0
211.02400	1.0
248.16562	1.8
277.96082	1.1
287.05859	1.1
290.03772	1.2
300.99948	2.2
301.03387	1.7
383.20776	7.7
410.21991	6.0
470.17831	9.6
471.18765	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	471.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59920	0.6
59.01245	2.1
59.08265	0.6
61.98686	0.7
64.09360	0.6
65.00200	1.8
67.01759	1.9
68.99635	0.5
69.03336	0.9
71.01258	2.2
72.22424	0.6
72.99175	1.9
81.03331	1.0
82.95615	0.6
83.01272	2.5
84.99290	0.6
87.00755	0.8
90.54459	0.6
95.01255	1.5
96.99231	0.7
97.02874	1.0
101.02348	0.8
107.01265	6.5
110.00008	2.3
111.00764	14.9
111.01479	1.2
123.00760	5.3
124.01546	11.0
124.98745	0.7
125.02340	35.7
126.02702	1.5
127.00260	6.0
131.75572	0.6
134.70900	0.6
136.98714	10.5
139.00275	15.9
140.01057	26.1
141.01730	0.5
151.00294	1.2
151.55925	0.7
154.99803	1.9
168.00558	41.3
169.01341	58.3
170.01680	2.6
181.01273	0.9
188.04820	0.9
191.35689	0.7
223.06056	1.1
241.21121	0.6
244.47214	0.6
257.11862	1.7
275.12857	2.9
289.10831	2.5
291.12375	3.3
301.10852	5.8
301.84448	0.6
302.11447	2.2
309.20718	0.7
319.11856	100.0
320.12186	10.5
409.12820	0.9
427.13788	3.3
471.12946	50.7
472.13342	7.3
479.91666	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83862	0.6
55.01746	1.2
58.00459	0.8
59.01257	15.4
67.01762	1.6
69.03304	0.8
71.01256	15.9
71.57575	1.1
72.99190	1.5
73.02818	2.7
79.01759	1.3
79.05386	0.8
83.01267	3.3
85.02826	3.8
87.00759	1.3
89.02328	7.6
91.05404	1.7
93.03354	1.2
95.01264	3.9
97.02820	1.2
99.00764	1.4
101.02331	11.4
102.02644	0.6
107.01268	4.7
107.04916	2.6
109.02776	0.7
109.06480	7.9
111.00797	3.4
113.02335	5.2
117.03310	0.8
119.03431	3.9
119.04961	0.8
121.06477	1.9
123.00768	20.3
124.01601	1.1
125.02343	19.2
126.02650	0.9
127.00249	0.8
131.04999	0.7
133.06439	0.6
136.98666	1.4
139.00299	4.6
139.07547	6.1
140.01064	4.9
141.01808	2.7
143.04958	0.9
147.04445	1.1
151.00291	10.2
153.01848	0.7
153.05484	1.8
155.07039	6.5
157.08594	0.9
161.04620	1.0
161.05984	2.9
167.03540	0.8
168.00584	4.9
169.01335	22.6
171.06546	0.8
173.06107	0.7
175.03851	0.9
177.06667	0.6
179.05663	0.6
181.96954	0.7
193.01360	0.8
193.05080	0.7
197.08069	3.1
211.02489	5.8
271.04636	6.0
313.05820	1.0
319.13992	25.8
320.14398	1.5
427.16095	7.5
428.16629	0.7
453.13928	10.1
467.96655	0.7
471.15012	100.0
472.15353	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	469.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52975	0.9
55.01756	1.3
57.95675	0.9
59.01248	17.9
61.98685	2.0
68.99668	1.3
69.34917	5.9
69.35341	4.0
71.01256	20.6
72.99179	2.7
73.02825	3.1
83.01285	2.4
83.04932	1.1
85.02821	3.5
87.00747	1.5
89.02311	10.4
93.03339	9.0
95.01263	4.0
97.02838	2.0
99.00765	1.7
101.02322	9.9
107.01263	7.4
108.02120	1.1
109.02826	1.6
111.00761	3.1
113.02332	8.6
113.03019	1.5
117.03346	12.1
119.03406	4.5
119.04916	75.4
120.05238	3.4
121.02839	7.9
123.00780	6.5
123.04433	2.5
124.86060	1.0
125.02335	23.5
126.02690	1.6
131.04912	2.9
132.05742	6.2
133.02863	2.8
133.06496	30.6
134.03664	2.5
135.04410	4.8
137.02286	1.4
139.00267	4.2
140.01038	1.2
141.01772	1.7
141.88034	1.1
143.04890	1.5
145.02852	59.6
146.03261	2.0
147.04434	5.4
149.05980	1.8
151.00288	2.8
159.04495	2.6
160.01582	4.8
161.02338	4.5
161.05992	71.7
162.03128	3.9
162.06323	2.9
163.03918	100.0
164.04245	4.2
164.72508	1.1
165.01866	1.2
166.99820	5.7
167.01033	1.0
168.00529	1.7
169.01338	30.6
170.01729	1.3
171.06538	1.2
173.02406	1.4
174.02946	1.0
175.03926	7.9
177.05490	43.4
178.05855	3.0
179.03326	1.5
185.00899	2.7
187.03923	2.1
189.01842	1.6
203.03464	1.8
205.05000	84.8
206.05400	3.8
209.00934	1.1
211.02327	2.9
217.01337	1.5
217.04982	1.4
222.00737	1.2
227.03508	1.4
229.01372	2.7
235.06082	29.8
236.06390	2.3
245.00870	1.7
245.11971	1.3
247.02460	3.2
257.00925	1.5
265.07162	53.6
266.07550	4.4
271.04691	2.0
273.00433	2.4
275.01877	2.2
286.98648	1.1
289.03558	3.2
291.01474	1.3
299.99130	1.8
300.99954	6.5
301.99969	1.5
307.08234	2.5
316.99417	1.7
323.13455	43.8
324.13879	2.6
325.09317	2.5
337.52121	1.2
368.02344	1.1
469.17169	74.7
470.17459	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	469.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61896	0.4
50.64042	0.4
57.03324	0.5
59.01245	2.1
61.98703	1.6
67.01759	0.6
69.03333	0.6
71.01249	1.9
72.99170	0.5
73.02814	0.6
83.01262	1.3
83.04899	1.8
89.02312	0.5
95.01282	1.4
97.02822	0.8
98.20546	1.2
101.02310	0.9
102.40183	0.4
102.75173	0.4
107.01269	10.5
111.00736	3.2
111.08044	1.1
111.32407	0.4
113.02314	0.5
121.02832	0.6
123.00774	7.5
124.01595	2.0
124.62949	0.4
125.02345	47.1
125.05975	0.6
126.02661	1.5
127.00242	2.0
135.04460	0.6
136.98709	1.4
139.00256	4.1
140.01053	4.6
141.01836	1.2
151.00287	9.6
154.99736	0.6
155.07069	8.3
160.01573	0.5
166.99788	1.2
168.00562	6.8
169.01347	73.4
170.01646	2.6
175.00230	0.8
175.03917	1.0
193.01314	0.7
219.10303	0.6
248.76138	0.5
289.07132	0.8
300.02597	0.6
307.08237	100.0
308.08615	7.9
320.08829	0.5
387.57858	0.9
388.07919	1.5
469.12668	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	469.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45833	0.4
55.01799	0.4
58.00448	0.4
58.62431	0.3
59.01251	11.9
67.01760	0.7
69.03319	0.8
69.37444	2.9
71.01256	6.7
72.99179	0.9
79.01768	0.6
79.75397	0.3
83.01260	0.9
83.92613	0.3
85.02819	1.4
88.41913	0.3
89.02319	7.6
93.06985	1.1
95.01261	1.5
97.02827	0.6
99.48885	0.3
101.01695	0.5
101.02325	5.9
107.01272	4.0
111.00780	1.8
113.02328	3.1
114.71327	0.3
114.94542	0.4
115.03880	0.4
119.03403	3.6
123.00761	8.8
124.01518	1.4
125.02338	22.4
126.02695	1.2
127.00214	0.5
136.98689	1.0
137.05966	3.3
139.00290	2.0
140.01025	2.1
141.01813	1.3
151.00291	4.1
153.01846	0.4
155.07074	0.8
165.01846	0.5
167.03436	0.7
168.00558	5.9
169.01337	30.9
170.01674	1.8
177.03998	0.4
179.05504	1.0
193.01291	0.4
210.03632	0.3
211.02431	23.8
212.02783	1.1
241.03497	1.0
271.04590	25.6
272.04858	1.1
275.01910	0.4
276.02338	0.4
300.99835	3.3
302.00131	1.4
313.05652	1.8
317.12415	23.0
318.12772	1.3
331.06772	1.0
409.11337	0.5
426.86368	0.4
451.12415	2.0
469.13498	100.0
470.13873	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	469.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99590	0.6
59.01251	1.1
68.35938	0.6
69.03323	0.7
69.49165	4.4
69.49574	1.9
71.01249	2.1
74.11575	0.6
79.01771	0.9
83.04891	1.5
95.01273	1.4
97.02822	1.0
99.58300	0.7
107.01269	7.3
111.00744	2.7
115.04211	0.7
123.00775	6.5
124.01552	3.3
125.02341	31.0
127.00294	1.3
136.98737	2.1
139.00267	3.5
140.01054	4.7
141.01747	1.1
151.00261	5.4
153.89854	0.7
155.07059	3.9
159.48265	0.7
168.00580	4.7
169.01335	45.0
170.01640	1.6
197.36273	0.8
198.68466	0.8
289.07129	3.4
307.08234	100.0
308.08517	8.8
349.09311	10.7
389.88535	0.8
398.62650	0.8
409.11337	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	469.1141
Annotation	Lysidicichin
Peak:m/z	Relative Intensity
50.56382	0.5
54.30610	0.5
59.01243	2.7
61.98691	0.8
71.01260	1.7
78.95766	0.5
85.02814	0.9
94.98754	0.5
96.95892	1.1
98.19740	0.9
101.02341	1.0
113.02351	0.8
125.02347	1.0
145.02861	0.6
145.89998	0.5
169.01300	0.6
172.01491	0.7
172.18207	0.6
173.02362	1.0
185.02341	2.6
194.35268	0.5
200.01091	2.0
201.01869	1.6
214.02524	0.8
216.00554	1.2
217.01253	0.6
226.99850	0.6
228.00653	0.8
229.01361	5.1
242.99205	0.9
244.00055	1.1
256.00082	0.5
257.00934	8.2
258.01239	0.5
270.98999	1.0
271.99619	0.7
273.00552	0.7
282.99048	1.0
283.99640	13.2
285.00180	1.2
297.00421	2.2
298.01154	8.1
298.98340	1.5
299.01505	0.6
299.99115	56.6
300.99869	44.3
302.00229	3.1
309.00412	0.7
311.01953	1.3
323.99356	0.7
324.99747	0.7
425.08777	0.9
441.11826	9.8
442.12570	1.6
469.11398	100.0
469.27551	1.8
470.11679	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	469.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	6.7
57.03319	6.3
59.01252	17.1
67.01766	4.4
68.99688	8.4
69.03362	3.3
71.01251	35.7
72.99188	16.0
73.02817	7.9
73.41993	2.3
75.00745	8.9
75.02454	2.7
83.01256	21.4
83.56287	2.3
85.00912	4.7
85.02815	11.9
85.91347	2.5
87.00747	10.2
88.98688	4.8
89.02328	3.9
93.03355	13.1
96.95904	5.1
99.00749	32.2
101.02328	8.2
103.00273	2.7
107.01280	5.2
111.00773	34.6
111.04423	7.0
112.98691	87.0
113.02290	2.2
113.99052	2.8
114.98317	5.5
115.00255	14.8
117.01815	7.5
117.77457	2.1
123.00784	4.6
124.98727	2.8
125.02339	25.6
127.00204	3.9
128.03413	3.0
129.01822	23.2
137.02338	4.3
139.00243	2.9
142.99768	20.8
143.01488	3.9
143.03470	3.5
145.01329	85.2
146.01657	4.9
157.01329	3.6
169.01338	32.3
171.00980	10.4
173.00832	20.7
173.04469	23.9
175.03888	2.8
187.02359	3.7
190.02599	3.2
191.03502	2.7
201.05550	22.5
205.03523	7.1
219.03017	5.3
231.03131	6.5
245.04601	3.9
261.00198	4.3
262.01114	5.4
263.01889	5.6
263.05737	64.6
288.99780	5.6
293.78506	2.4
307.04636	18.9
313.05594	14.1
347.08124	2.5
354.94675	2.7
365.09210	5.0
391.06940	5.4
409.08087	3.7
425.07193	44.6
426.07474	4.8
451.09375	11.7
469.10086	100.0
470.10522	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	468.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01734	0.6
59.01251	11.9
67.01759	1.7
68.99664	0.6
69.03330	2.7
71.01256	10.2
71.57275	0.5
72.99172	1.0
73.02817	1.1
79.01754	1.4
83.01265	1.2
85.02814	1.8
87.00731	1.0
89.02315	7.9
89.02829	0.7
93.03316	0.8
93.06978	1.9
95.01283	5.0
97.02832	2.0
101.02318	5.6
107.01276	12.6
108.01553	0.9
109.06503	0.9
110.00017	0.6
111.00753	3.7
113.02324	4.1
119.03391	3.6
119.04839	0.6
121.02850	0.7
121.06502	0.5
123.00776	22.6
123.04409	0.5
124.01599	2.6
125.02341	64.6
126.02697	2.9
127.00311	1.0
133.02837	0.8
136.98717	1.8
137.02342	1.2
137.06012	3.0
138.14436	0.5
139.00252	6.6
139.03909	1.0
139.07588	1.1
140.01062	4.3
141.01822	3.4
143.03346	0.7
145.02829	1.2
151.00278	9.0
153.01826	1.0
154.01347	7.2
155.07066	2.1
159.04430	0.6
161.02368	1.0
163.00215	0.6
163.03911	0.9
165.01906	1.2
166.99731	3.2
167.03323	1.2
168.00562	11.4
169.01340	100.0
170.01700	4.4
173.02341	1.4
175.03922	1.2
175.52396	0.5
177.01811	0.5
177.03902	1.0
183.02875	0.8
185.02405	1.3
189.01903	1.1
190.02379	0.6
191.03465	1.1
193.01181	0.8
200.01048	0.7
201.01898	1.3
203.03366	1.0
205.01366	0.7
211.02431	27.5
214.99834	0.7
217.01381	1.5
219.02855	0.8
229.01337	2.3
231.10358	0.7
241.03499	0.8
245.00893	1.6
247.02371	1.9
248.03110	0.7
249.04063	1.4
253.03780	0.6
257.00897	2.0
258.01416	0.7
261.00259	0.5
270.98730	0.7
271.04590	19.9
273.00409	2.5
274.01044	1.4
275.01999	6.6
276.02426	0.7
283.99893	1.0
291.01453	0.7
299.99011	2.5
300.99890	28.0
302.00220	5.3
303.00476	0.8
306.06851	0.7
307.08270	1.1
313.02872	0.5
313.05753	5.2
314.05667	0.6
316.06851	1.1
317.12421	16.1
331.06729	1.0
392.03836	1.9
392.53839	0.6
409.11420	1.1
451.12405	2.5
465.06799	1.0
467.15662	1.1
468.12650	0.8
468.15970	2.0
469.13495	95.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	4.1
58.00476	3.5
59.01252	100.0
60.01575	2.2
69.03342	2.2
71.01258	44.8
71.57336	2.9
72.99190	3.5
73.02823	22.0
83.01268	5.8
83.04903	3.7
85.02819	16.7
87.00755	9.4
87.04393	3.3
89.02317	37.5
95.01277	6.2
99.04418	5.3
101.02328	51.7
103.03886	18.7
107.01286	5.5
108.02042	2.9
109.02847	7.6
111.00780	3.4
111.07993	4.4
113.02333	13.1
115.03878	3.8
119.03394	12.4
122.03632	43.3
123.00768	9.2
123.04414	20.4
125.02327	31.5
125.05925	2.0
127.03875	2.9
131.03392	11.0
135.04477	3.0
137.02371	4.6
137.48929	1.9
140.01013	2.4
143.03380	12.3
145.04958	6.4
151.00278	4.6
154.01350	11.0
155.07051	38.3
161.04500	5.6
163.06017	70.3
166.99745	4.0
168.00500	4.7
169.01335	35.7
179.05623	4.2
189.01740	2.2
189.06618	3.7
202.02792	2.0
205.07118	24.8
211.02411	7.7
217.43282	2.2
231.10274	2.8
235.08073	2.2
243.56108	2.1
245.01053	2.9
255.03055	2.5
259.02383	4.6
261.04065	2.4
261.07724	3.5
265.09393	5.8
271.04666	13.4
273.03073	4.3
274.03232	3.5
275.03552	2.7
287.02029	4.5
300.99939	10.2
301.03085	4.6
302.03357	8.7
303.03827	8.7
304.03860	7.0
305.04376	3.0
305.11487	4.0
313.05472	2.2
323.12476	6.2
407.19147	25.1
408.19897	3.4
459.53470	2.9
467.09354	17.8
467.32077	3.6
468.08356	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.7
58.00466	3.0
59.01253	100.0
65.67234	1.7
65.95448	1.5
67.01765	2.9
69.03331	2.4
70.58234	1.6
71.01256	34.8
71.21197	2.6
71.21513	2.8
72.99183	3.9
73.02817	24.6
73.03198	2.3
81.03388	2.0
83.01250	4.7
83.04858	1.9
85.02817	14.2
87.00722	8.5
87.04385	2.3
89.02320	34.2
95.01292	5.3
97.02760	1.8
99.04416	2.8
101.02326	55.4
103.03889	19.4
107.01272	6.0
108.02080	2.7
109.02837	4.5
111.08040	1.7
113.02335	7.2
115.03887	5.9
116.80695	1.5
119.03400	11.8
121.02754	2.3
122.03633	19.0
123.00753	10.0
123.04445	11.0
124.01579	2.8
124.16636	1.7
125.02345	30.9
131.03404	8.7
135.04398	2.2
139.00279	1.9
141.01797	2.0
143.03387	12.9
145.04994	5.5
150.03044	2.1
151.00281	5.3
152.00972	1.7
154.01332	5.4
155.07037	23.8
159.04472	2.3
161.04449	3.8
161.07062	1.8
163.00342	1.8
163.06041	67.3
164.06441	2.2
165.05492	1.7
166.99774	4.7
168.00571	3.7
169.01344	38.6
170.01685	3.2
173.02362	1.7
175.03891	1.9
179.05536	5.8
187.03970	2.4
189.01805	2.9
189.06682	2.9
190.02713	1.7
191.03487	1.8
201.01825	2.0
203.03522	4.0
205.01205	1.9
205.07126	26.2
211.02455	4.3
217.01404	2.2
229.01372	2.1
231.02792	3.1
231.10252	2.0
234.17107	1.6
243.03043	2.1
257.03595	2.3
259.02310	3.2
261.04166	2.2
261.07608	3.4
261.13556	2.3
265.09253	3.7
271.04761	8.1
272.02667	3.1
273.02911	8.7
274.03296	4.4
275.03580	3.0
287.01865	7.8
292.17728	1.6
300.99921	14.1
301.03143	5.2
302.00226	2.5
302.03320	13.4
303.03839	11.6
304.04053	11.4
305.04272	2.6
305.11530	3.5
316.03400	2.0
323.12534	5.2
407.19318	22.0
467.09528	26.8
467.15897	4.2
467.32498	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11280	0.8
59.01239	1.0
67.50929	0.8
69.03314	2.3
69.66004	5.4
69.66406	2.1
71.01258	2.6
73.02834	1.2
78.99746	0.8
79.01772	2.2
81.03323	1.5
83.01243	1.0
85.02840	2.9
95.01265	2.9
97.02808	2.6
98.20588	1.0
101.02313	1.3
107.01265	9.4
108.02055	42.9
109.02858	17.0
111.00730	2.0
121.02837	1.0
123.00766	15.2
123.04417	1.2
124.01575	1.3
125.02341	38.0
135.00761	1.3
137.02338	1.0
139.00281	3.4
140.01051	3.1
141.01857	1.8
151.00299	6.7
152.01062	36.6
153.01881	9.2
163.03796	1.2
165.01907	0.9
168.00528	3.0
169.01338	42.6
170.01689	1.3
177.01729	0.8
179.03439	1.0
192.74683	0.9
193.98497	6.6
194.99178	1.1
211.02399	1.6
297.06290	0.9
300.99881	2.8
313.05685	7.5
315.07199	11.3
316.07559	1.0
340.96991	1.0
423.09323	26.3
424.09747	1.5
437.42001	1.0
449.07315	2.8
450.86566	1.0
467.08289	100.0
468.08566	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	467.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	12.1
59.01253	100.0
67.71747	2.0
69.03336	3.1
71.01254	37.0
71.57489	3.1
72.99174	5.4
73.02821	18.0
75.00776	2.6
77.90315	2.0
82.65129	2.0
83.01262	5.7
83.04898	2.1
83.89120	2.0
85.02826	17.4
86.00031	2.3
87.00754	6.7
87.04404	3.4
89.02315	31.0
95.01257	8.0
97.02843	3.0
99.00759	4.8
99.04399	5.9
101.02326	54.3
102.02654	2.0
103.03890	18.7
107.01283	12.6
108.02040	3.5
109.02863	5.2
111.00800	6.1
113.02340	9.7
115.03907	4.2
119.03391	18.7
122.03613	7.5
123.00764	15.8
123.04369	3.9
125.02340	51.3
127.03851	2.2
131.03398	11.8
135.04433	2.2
139.00177	5.1
140.01117	2.9
141.01840	3.1
143.03400	9.5
145.02831	3.0
145.04984	4.8
151.00290	8.2
151.03893	2.8
152.01013	3.7
153.01833	2.6
154.01360	10.1
155.07024	8.7
159.04399	2.4
160.06317	4.2
161.02388	3.9
161.04474	6.9
161.07118	14.4
163.00278	2.5
163.06041	75.2
165.01837	2.3
166.99777	9.9
168.00513	7.6
169.01347	81.5
169.02791	4.1
170.01717	3.0
173.02367	2.3
175.08676	7.1
177.01921	2.7
178.99814	2.5
179.05579	3.9
187.03958	5.1
189.01891	6.5
189.06670	19.5
191.03575	2.7
201.01889	3.9
201.10327	2.3
203.03499	6.3
203.08165	10.0
205.01314	2.9
205.07127	26.6
211.02649	5.2
215.03683	2.1
217.01324	5.7
219.02872	2.8
229.09782	4.4
231.02965	6.4
232.03677	2.8
233.04498	3.8
235.02362	3.0
243.03017	4.4
245.00981	3.1
245.03250	2.4
247.02257	3.4
256.03305	4.8
257.00961	2.6
257.03485	5.3
259.02390	8.2
260.03104	2.5
261.04153	4.1
261.07666	7.2
265.09235	6.0
271.02191	3.8
271.04785	5.6
272.02908	4.6
273.00464	3.8
273.03018	11.5
274.03412	6.1
275.01685	3.2
275.03952	3.5
275.15167	2.6
277.03644	2.9
287.01962	12.5
293.10345	2.8
299.99265	5.1
300.02850	3.6
300.99866	22.6
301.03162	8.2
302.00198	3.8
302.03384	24.1
303.03946	17.8
304.04190	19.9
305.04172	4.1
305.11450	22.4
313.05722	5.9
315.06915	2.3
323.12436	28.6
324.12756	4.5
331.06711	2.8
357.05911	3.1
392.03830	3.5
407.19244	25.3
438.86606	2.7
456.45810	2.5
467.09375	58.7
467.15845	3.6
467.32184	5.4
468.09357	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	466.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	9.0
61.98692	3.5
62.67229	1.0
65.00169	1.1
67.01747	2.3
69.03319	1.7
70.20840	1.3
71.01256	13.2
71.90345	1.0
72.01524	0.9
73.02797	1.9
75.00734	2.0
79.01756	1.5
83.01228	1.9
84.87576	0.9
85.02808	3.2
87.00729	1.5
89.02338	2.0
93.03366	1.8
95.01270	7.1
95.38308	1.0
95.88244	1.0
96.92476	1.1
97.02811	2.7
98.20541	2.2
99.00753	2.0
101.02335	4.9
107.01273	14.6
108.26196	1.0
109.02829	1.9
111.00764	4.7
113.02306	3.6
114.02682	1.0
121.02808	1.3
122.03652	6.8
123.00774	19.2
124.01566	1.9
125.02340	80.5
126.02673	3.8
127.00272	2.2
133.02884	1.2
134.03699	1.1
135.04401	1.3
136.98695	1.3
137.02379	1.3
139.00279	5.9
140.01015	2.9
141.01837	1.5
143.03287	1.1
145.02916	2.3
147.04291	1.0
149.02367	1.1
151.00272	9.2
152.03444	52.3
157.02876	0.9
159.04408	2.0
160.36548	1.1
161.02304	1.8
163.00237	1.3
163.03893	1.2
164.00935	1.0
165.01842	1.2
166.02629	1.2
166.99762	8.2
168.00572	7.0
169.01347	100.0
170.01712	3.4
170.38431	1.2
173.02319	1.4
177.01855	2.1
178.99748	1.9
185.02357	1.7
187.00261	1.1
189.01918	1.3
190.99789	1.2
191.03357	1.5
193.01294	3.8
201.01849	2.1
209.00880	2.2
211.02336	2.4
214.99838	1.5
217.01343	2.0
229.01288	1.8
230.99178	1.1
241.03542	3.4
242.99170	1.4
245.00900	2.5
249.03955	1.3
257.00940	1.2
258.98587	1.0
261.07574	3.8
271.02301	1.3
271.04736	1.1
273.00394	2.2
274.01138	1.5
275.01926	4.0
299.99173	2.3
300.02365	1.1
300.99960	24.2
301.03442	4.9
302.00232	2.5
305.06674	2.5
313.05679	72.2
314.06119	6.7
317.02661	1.2
387.20386	1.4
388.20731	1.4
465.06812	1.4
465.26642	5.0
466.09781	48.2
466.27414	2.5
467.10822	5.5
473.81149	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3222
Annotation	Varanic acid
Peak:m/z	Relative Intensity
55.01772	12.2
59.01240	6.2
71.01256	12.2
71.56787	2.5
81.76286	1.9
83.04895	2.4
85.81834	2.0
93.32320	1.8
109.06477	3.8
125.02335	4.6
169.01305	5.0
171.10103	2.6
291.26871	2.8
301.00079	4.6
311.22427	3.1
331.26144	4.0
331.30087	72.6
332.30457	7.3
337.84598	2.2
357.31775	3.7
359.33160	14.1
375.29016	55.9
376.29486	9.2
377.34280	9.8
378.33920	1.9
386.22705	2.0
403.32211	31.9
404.32333	3.1
421.33398	3.4
447.24875	3.7
447.31174	92.0
448.31628	15.7
465.32181	100.0
466.32379	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	466.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.5
61.98710	0.3
65.00201	0.7
67.01758	0.7
68.99706	0.3
69.03316	0.9
71.01255	4.0
72.99161	0.2
73.02820	0.5
75.00759	0.3
79.01757	0.4
81.03330	0.5
81.39459	0.2
83.01269	1.0
85.02827	0.8
87.00780	0.5
89.02335	0.3
93.03339	0.2
95.01241	1.8
97.02847	0.9
99.00769	0.3
101.02332	1.5
107.01273	6.5
109.02846	0.5
111.00755	1.7
113.02343	1.2
121.02859	0.5
122.03632	14.8
123.00761	8.5
124.01591	0.8
125.02335	40.4
126.02676	1.1
127.00282	0.5
133.02884	0.4
134.03659	0.6
135.04446	0.7
136.98676	0.8
137.02370	0.5
139.00266	2.5
140.01065	1.5
141.01810	0.9
143.03471	0.3
145.02884	0.7
151.00282	5.9
152.03441	100.0
153.01869	0.5
153.03821	3.5
154.99733	0.2
161.02383	0.7
163.03833	0.3
165.01863	0.4
166.99768	1.6
167.03450	0.4
168.00571	2.8
169.01337	52.6
170.01678	2.0
175.03975	0.3
177.01814	0.7
178.99803	0.6
179.03398	0.4
187.00224	0.4
189.01784	0.3
191.03368	0.5
193.01321	0.5
207.02954	0.3
210.06186	0.2
211.02419	1.7
214.99849	0.3
217.01198	0.3
227.03600	0.3
229.01376	0.6
229.66026	0.3
231.02997	0.3
241.03551	1.0
245.00801	0.3
253.03548	0.6
257.00888	0.3
270.98990	0.3
271.02344	0.7
271.04700	0.7
273.00516	0.3
275.02090	0.5
287.01910	0.3
295.04584	0.4
299.01956	0.2
299.99277	0.5
300.02750	0.7
300.99951	3.7
301.03561	1.2
302.00256	0.6
313.05646	66.8
314.06033	4.8
317.03046	0.4
319.39920	0.2
436.97681	0.2
465.06860	0.4
466.09903	28.8
467.10214	2.7
467.15817	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41203	0.7
55.01775	1.2
57.03320	1.7
58.00472	1.0
59.01255	26.5
61.98702	2.2
65.00193	1.8
67.01758	1.4
69.03336	2.0
69.37244	6.4
69.37650	2.2
70.78637	0.7
71.01257	14.5
72.99179	1.6
73.02818	2.6
75.00749	2.7
76.59236	0.7
81.27619	0.7
82.24649	0.8
83.01263	3.7
85.02831	6.3
87.00766	1.5
89.02319	5.6
93.03342	2.5
94.80372	0.9
95.01278	6.1
97.02834	2.3
99.00762	2.9
101.02318	9.6
107.01279	9.1
109.02824	1.9
111.00778	5.1
113.02325	4.8
119.03405	2.0
120.08091	1.1
121.02853	1.4
123.00773	13.4
123.04437	0.8
124.01550	2.8
125.01437	1.8
125.02348	35.2
126.02705	1.3
129.01816	1.9
131.01253	1.4
133.02837	1.8
135.04395	1.4
137.02356	7.9
138.03099	5.6
138.05482	1.9
139.00291	9.2
140.01045	2.7
141.01837	1.7
145.02850	3.6
147.00813	1.8
147.04456	1.9
148.05203	2.3
149.02374	2.7
150.03127	1.9
151.00198	3.9
151.03889	1.6
153.01837	1.2
154.01349	2.7
159.00784	1.2
161.02301	1.7
161.04482	2.5
161.05917	0.9
163.00264	0.9
163.03889	2.8
163.07613	1.9
164.01056	0.8
165.01865	0.8
166.99803	4.4
168.00551	6.2
169.01346	42.4
170.01668	1.5
173.02310	1.7
173.05928	1.0
175.03926	2.9
176.01082	7.1
176.04546	1.3
177.01912	7.1
177.03984	1.6
177.05360	0.9
178.06331	1.9
179.03453	1.1
183.02917	1.5
184.14087	1.0
185.02452	0.9
187.00346	5.3
188.00977	1.1
189.01909	2.3
189.05463	2.2
190.06039	0.9
190.99800	1.3
191.03384	2.6
191.07042	3.4
193.01328	2.4
201.01846	1.6
202.99734	1.1
203.03445	9.4
203.07065	0.8
204.04227	4.1
205.04858	1.5
211.02423	1.9
214.99809	6.7
217.01279	1.8
217.05038	2.7
218.02344	1.0
218.05788	11.6
219.06413	1.2
223.02353	1.1
229.01312	1.8
230.99158	1.0
231.02928	1.3
235.06102	1.7
242.99345	2.1
245.01015	1.6
247.02451	1.5
248.03337	1.1
249.04033	1.7
257.00894	1.9
258.98792	1.5
259.13358	2.9
259.99591	1.7
261.00476	1.5
261.14984	5.4
270.98929	1.3
273.00400	1.5
274.01135	1.1
275.01941	7.3
277.14456	1.3
283.99731	1.1
285.04175	1.3
287.12897	4.1
295.04559	1.2
297.06131	1.3
298.98367	1.7
299.99161	2.9
300.99924	14.4
301.03122	1.6
301.99905	2.0
303.12366	4.4
303.21823	0.9
305.13962	3.1
313.05634	9.8
332.09027	0.9
333.13321	1.1
370.56763	0.8
405.24939	1.9
432.09207	1.0
465.07367	20.9
465.17612	100.0
465.27014	19.2
466.07272	1.8
466.18060	12.9
466.27701	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.6
57.03325	2.0
58.00476	0.9
59.01252	82.7
61.98698	3.6
65.00194	2.4
67.01743	1.5
68.99690	0.8
69.03315	0.9
71.01257	27.1
71.13449	0.7
72.99177	1.9
73.02825	10.0
75.00770	4.0
79.01749	0.9
80.71373	0.8
81.03336	1.0
83.01261	9.0
85.02824	14.4
85.99977	1.3
87.00751	3.8
89.02314	7.0
95.01257	6.6
97.02839	2.0
98.20592	1.9
99.00761	2.8
100.05802	0.8
101.01695	1.6
101.02324	21.0
104.89448	0.7
107.01263	7.3
109.02848	1.8
111.00754	2.8
113.02333	11.7
119.03395	1.9
119.04890	1.1
121.02854	1.5
123.00779	13.5
124.01624	1.3
125.02335	21.8
132.02055	1.1
133.34431	0.8
135.04463	1.1
137.02332	1.4
138.01852	1.9
139.00240	3.0
140.01051	1.5
143.03394	1.4
145.02817	2.9
147.04408	7.4
149.02353	1.3
151.00272	5.1
151.03952	1.1
152.00650	1.6
152.03448	2.2
153.00684	1.0
159.02899	1.7
159.04399	1.3
160.01563	0.9
161.02309	2.4
161.04453	3.9
163.00238	1.3
163.03886	1.3
164.12624	0.9
165.01845	1.0
165.05479	1.6
166.99792	5.9
168.00484	3.0
169.01344	32.2
170.01726	2.2
173.02315	1.2
175.03929	1.7
177.01828	3.0
178.99763	2.5
179.03426	1.2
183.02934	0.8
185.02371	1.4
187.00200	1.7
189.01822	1.7
190.99843	0.9
191.03481	1.1
191.97249	0.9
201.01854	2.6
203.03410	0.9
214.99780	2.5
216.00482	1.1
217.01361	1.3
218.01953	0.9
229.01477	1.9
230.03883	1.0
242.99323	2.0
243.02896	1.4
243.19562	1.4
243.99876	0.9
245.00859	2.7
247.02531	1.9
248.03088	0.9
255.02911	2.0
256.03400	1.1
257.00836	1.3
257.03644	0.8
261.00314	1.6
270.98770	2.5
271.02463	2.6
273.00421	1.6
273.03119	1.7
275.01917	3.7
283.99649	1.1
284.03070	0.8
285.04053	3.3
298.98264	1.9
299.99136	11.6
300.02374	1.6
300.99823	44.2
301.03412	10.0
302.00070	5.6
302.03625	7.3
303.00552	1.4
303.03973	7.8
303.13330	1.2
303.21762	2.1
304.04416	1.1
313.05814	7.1
405.24893	5.3
438.03012	1.2
447.08298	1.8
447.25998	5.3
465.07864	5.4
465.26920	100.0
466.09753	1.0
466.27240	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	27.5
69.03329	3.0
71.01279	5.0
74.86372	2.2
91.66653	2.5
96.95853	2.5
118.63100	2.2
141.55077	2.5
187.91319	2.1
271.02563	3.5
299.99097	19.8
300.02710	10.3
301.00000	17.4
301.03192	5.0
315.26886	7.9
327.26938	27.7
328.27249	3.3
343.30206	10.6
359.26050	4.1
369.27979	3.6
387.29037	79.4
388.29327	9.4
390.68610	2.4
391.28482	8.4
415.73703	2.6
431.27994	100.0
432.28134	17.2
463.05157	9.6
463.33987	7.0
464.05563	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	465.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.0
59.01255	20.5
60.01601	1.9
61.21571	1.8
65.00202	10.5
69.03332	3.0
69.98476	7.3
71.01256	19.2
72.99158	2.2
73.02808	5.2
75.00713	2.9
79.01772	3.8
83.01248	6.4
85.02820	4.8
87.48438	1.7
89.02333	16.3
93.03321	2.8
95.01263	10.7
96.99150	2.7
97.02831	3.1
99.00748	6.7
101.02316	9.1
106.00448	5.3
107.00747	1.7
107.01286	19.6
109.02842	13.0
110.00006	4.1
111.00761	16.5
113.02325	4.4
115.05441	2.4
117.03330	2.2
119.03343	3.5
119.45792	1.9
121.02831	4.0
123.00784	26.4
124.01566	5.6
124.98746	2.5
125.02340	57.4
126.02702	2.6
127.00207	2.1
131.03351	2.8
131.49916	1.9
133.02843	6.8
133.99980	2.6
135.00760	4.3
135.04457	2.2
136.98697	3.8
137.02336	5.0
139.00278	22.2
139.03920	2.2
140.01067	3.7
141.01825	5.8
143.04910	4.8
145.02780	1.9
147.04460	2.6
148.01526	4.5
148.98633	2.2
149.02309	7.6
149.04422	8.1
149.99490	8.1
150.03122	2.9
150.99126	2.6
151.00276	32.6
152.00957	5.8
153.01784	5.7
155.04834	2.8
156.26247	2.0
159.04395	7.8
161.02318	6.4
163.00323	3.1
163.03922	3.3
164.01054	2.7
164.98254	3.2
165.01851	2.9
165.05534	2.7
165.99026	2.5
166.99716	5.9
167.03304	1.8
168.00560	11.5
168.99969	3.8
169.01355	61.4
171.04372	7.2
173.02328	4.5
174.03143	2.7
175.03914	9.5
177.01849	5.3
177.98961	8.7
178.99796	36.2
180.00319	3.7
181.01268	2.3
185.11819	2.2
187.03940	12.6
188.04498	2.7
189.01823	8.2
190.02533	3.0
191.03456	3.3
192.00537	5.5
193.01289	4.2
194.99261	3.5
199.03900	9.3
199.24623	2.2
201.01822	6.2
202.02538	2.9
203.03424	14.5
204.04106	3.0
205.01323	5.4
206.99295	4.0
207.02985	3.2
207.99956	2.3
209.00793	3.5
211.02309	4.6
214.02519	3.2
215.03566	10.9
216.03925	2.4
217.01297	4.4
218.01961	2.4
222.98863	3.7
227.03482	4.1
229.01312	4.4
231.02931	11.2
232.03674	18.0
233.04454	9.5
241.01299	5.1
242.02103	5.5
243.02953	18.1
244.03232	2.4
245.00803	5.4
245.04430	2.6
247.02464	3.7
257.00800	3.5
258.01474	5.5
259.02472	16.0
260.03128	5.3
261.03900	3.3
270.01694	2.5
271.02463	29.8
272.02707	5.6
273.03375	2.7
275.01862	3.7
286.01166	3.0
287.01944	47.3
288.02728	13.2
289.03516	6.3
297.00293	6.9
297.06122	2.8
299.01981	10.7
300.02557	3.9
300.99789	4.6
302.03610	3.8
303.01260	4.8
313.05667	23.6
314.00629	3.5
314.06116	2.3
315.01471	96.3
316.01788	7.4
325.05557	6.1
329.04968	7.5
332.01740	22.2
333.02484	11.8
365.08603	11.1
393.08047	3.1
447.05585	7.3
465.06625	100.0
465.13889	4.0
466.07278	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	463.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50388	1.1
59.01248	3.9
65.00201	2.5
67.01764	2.3
68.42316	1.1
68.99694	1.3
69.03340	2.0
69.95100	1.3
71.01247	3.7
71.43314	2.1
72.99202	3.2
73.32529	1.0
75.22193	1.3
83.01253	3.6
87.00772	2.4
87.04417	1.3
91.22044	1.1
95.01265	1.8
96.95887	1.2
99.00774	1.4
109.99998	2.8
111.00773	18.5
116.94588	1.1
123.00759	12.1
124.01557	14.8
125.02371	7.8
127.00281	7.0
127.11227	1.2
129.72557	1.6
136.98698	12.6
139.00253	17.5
140.01060	32.5
141.01805	1.7
151.00246	9.1
154.99811	2.7
166.99774	5.4
168.00562	55.0
169.01216	4.8
180.02585	1.1
185.67862	1.4
200.01193	1.3
209.11877	2.1
216.00632	2.3
217.00317	3.1
228.00601	1.3
229.01506	1.9
243.03012	3.3
244.00049	1.5
255.02972	3.7
271.02460	9.6
271.99750	1.2
273.11368	2.5
278.07910	1.2
282.98755	1.3
289.14267	1.6
293.21118	7.5
299.99133	44.1
300.02710	14.9
300.99927	42.5
301.03455	8.2
302.00281	2.9
302.03772	1.1
311.22293	12.2
335.11423	5.9
383.28662	1.2
401.23251	5.2
403.28506	1.2
419.32120	9.2
463.04761	33.7
463.23373	100.0
463.30481	25.4
464.05157	3.5
464.23663	15.5
464.30646	4.3
476.35556	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86856	0.5
59.01245	2.1
65.00185	1.5
67.01740	1.5
68.99696	0.9
69.03311	0.7
71.01263	1.2
72.45824	0.6
72.99181	1.5
77.45236	0.5
78.95787	0.8
83.01245	1.5
95.01271	1.5
96.95900	0.8
97.02830	1.3
97.06528	0.8
99.00789	0.6
105.53298	0.5
107.01277	4.0
109.99955	1.7
111.00772	9.8
121.12768	0.6
123.00770	6.9
124.01583	5.0
125.02337	32.0
126.02714	1.2
127.00307	3.2
136.98718	6.5
139.00281	11.3
140.01057	16.6
140.02147	0.8
141.01855	1.0
148.99976	2.0
151.00270	4.2
154.99802	1.3
166.99802	1.7
168.00555	17.2
169.01343	40.6
170.01619	1.8
185.02399	0.8
194.98804	6.1
195.13840	2.1
195.75778	0.6
209.11769	1.8
216.00534	1.2
217.00247	1.4
227.12807	1.2
229.01414	1.4
229.25011	0.9
243.02971	1.1
244.00000	1.2
255.02957	2.3
271.02463	5.2
271.99692	0.7
293.21289	1.5
299.72052	0.7
299.99100	23.1
300.02728	8.1
300.99823	22.3
301.03384	5.4
302.00104	1.1
311.22269	17.4
312.22568	1.3
401.30658	0.9
419.24091	0.8
419.31723	0.8
445.22400	2.6
463.04785	17.0
463.23349	100.0
463.30338	6.9
464.05533	2.6
464.23703	13.5
464.30252	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	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00495	0.8
59.01252	13.3
65.00217	1.6
65.52823	0.7
69.03347	1.2
69.51733	6.2
71.01256	6.4
72.99223	0.9
73.02840	1.7
78.19672	0.9
80.02570	1.0
81.03339	1.8
83.01254	2.4
83.04900	5.2
84.02057	1.2
85.02838	1.4
87.00739	1.0
89.02316	6.0
93.03371	2.9
94.94816	0.9
95.01276	1.6
101.02346	4.8
107.01283	4.1
109.02893	1.1
111.00838	1.6
111.04424	1.6
113.02360	2.6
121.02882	1.4
123.00803	3.6
124.01592	1.1
125.02338	19.7
125.03244	1.3
129.69907	0.8
131.03366	1.2
135.07977	1.1
137.02403	1.9
139.00267	1.2
144.47327	0.8
148.01599	1.5
149.04509	1.6
151.00276	12.2
153.01869	0.8
155.03441	1.7
155.07059	1.1
161.02402	1.1
161.04485	1.2
163.00322	3.5
163.04036	0.9
163.11258	3.8
165.12753	1.9
166.99806	2.6
168.00587	1.7
169.01352	27.4
173.02379	1.5
174.03226	1.0
175.04007	1.4
177.01813	0.9
178.99803	6.2
181.12381	0.9
187.03987	1.1
189.01991	1.1
190.02658	0.8
191.10760	1.3
192.00623	1.0
193.01349	1.2
199.04033	1.7
201.02042	1.4
201.05530	1.9
203.03525	1.4
203.35867	0.9
205.01291	1.0
209.11783	100.0
210.12109	5.8
211.04004	1.1
226.02756	2.4
227.03529	3.3
227.12859	17.5
228.13263	1.0
229.01506	1.4
229.05060	1.1
230.02342	0.9
231.03070	2.7
239.03629	1.2
243.02988	8.7
244.03302	1.2
245.04578	2.4
253.09302	13.1
254.02402	2.0
255.02989	20.1
256.03427	1.5
257.00912	1.0
259.02472	1.1
271.02490	44.0
272.02805	5.5
273.04092	1.2
283.02686	1.6
285.00476	1.3
287.02124	2.4
299.02081	1.7
299.99277	6.5
300.02722	70.5
300.99997	9.6
301.03635	42.7
302.00681	2.2
302.03998	4.0
303.01639	1.6
307.04657	1.8
313.00134	1.5
330.00375	1.1
331.01044	3.7
419.10001	1.2
435.05896	1.2
463.09079	40.5
464.09818	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	463.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82283	0.6
59.01249	4.9
61.03184	0.6
62.96274	1.0
68.52589	0.8
69.59463	0.9
69.59866	5.2
70.21078	0.9
71.01266	1.4
72.99222	1.1
78.95779	8.6
85.02811	0.8
96.95881	1.1
97.06487	0.7
98.20560	1.1
105.89080	0.7
109.41718	0.7
111.00774	2.1
123.00768	1.1
124.01581	1.6
127.00233	0.9
136.98708	1.8
139.00256	3.2
140.01022	3.8
149.00000	33.6
151.00270	1.0
160.01578	1.2
166.99771	2.1
168.00555	13.7
169.01285	1.1
175.03925	1.8
178.37621	0.8
185.02386	1.0
194.98790	100.0
195.99129	2.1
209.11763	3.4
216.00626	1.1
217.00291	1.1
229.01376	1.3
229.75481	0.8
243.02966	0.9
244.00102	1.6
245.00775	0.8
247.19170	0.7
255.02904	2.3
257.00909	0.9
265.21561	1.1
271.02429	5.5
283.99557	1.0
299.99088	29.6
300.02704	9.0
300.99963	26.1
301.03433	5.4
302.00250	2.2
357.27997	0.9
375.29303	1.2
401.30441	2.7
418.30426	1.8
419.31952	1.4
444.28149	0.9
462.28723	4.7
463.05096	21.8
463.11063	58.9
463.23364	9.1
463.30515	15.9
464.05347	2.2
464.11371	4.9
464.31116	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77895	1.8
59.01236	7.3
64.95156	1.9
65.00195	3.2
65.86770	1.8
66.33864	1.6
68.42585	1.7
71.01259	2.4
72.48981	1.7
73.21706	1.9
81.03341	2.6
82.65696	1.7
83.01263	2.2
85.64763	1.6
86.00039	1.7
89.02322	2.6
92.15739	1.8
93.03323	8.9
95.01251	2.4
95.04910	7.3
105.03343	3.4
107.01272	2.3
109.02845	24.9
111.00701	2.5
121.02837	10.0
121.06480	10.8
123.00768	4.3
123.04443	4.6
125.02351	23.6
126.02706	3.2
127.07600	3.2
133.02846	6.8
135.00761	2.3
135.04457	2.5
136.38313	1.5
137.02350	100.0
138.02855	2.5
139.00230	2.7
139.03903	2.3
147.00787	3.4
147.04391	3.1
149.02338	10.2
150.03154	3.5
151.00298	5.2
151.03908	5.6
153.09125	16.8
155.03391	2.4
163.00266	7.3
163.03926	2.4
163.53946	1.9
164.01076	17.9
165.01855	56.1
165.05453	3.8
169.01344	21.4
170.01692	4.2
173.02388	2.8
174.03169	3.4
175.00311	4.4
175.03906	5.0
176.01027	3.2
177.01862	65.6
177.05450	7.0
178.02475	4.2
178.99780	11.4
179.03471	11.1
180.00539	2.8
181.01248	1.7
182.42195	2.0
189.01828	3.8
190.02631	5.9
191.03406	9.1
193.01285	2.2
193.08627	3.6
198.68813	1.7
202.02684	5.9
202.99771	16.4
203.03497	13.5
204.04080	6.8
208.00082	42.1
209.00870	56.3
210.01447	3.0
214.73953	2.2
217.01418	2.1
218.01967	1.9
221.00880	68.4
221.59283	2.2
222.01465	3.8
227.03596	2.8
230.02090	5.4
237.05527	2.2
241.05141	2.3
243.02934	2.4
243.93671	2.3
245.00832	3.2
246.98816	77.4
247.02512	5.5
247.99214	5.7
255.02946	7.6
255.10287	8.2
269.08142	2.2
271.02481	9.1
271.09790	7.5
295.23245	2.0
297.07565	2.7
299.09192	17.5
299.99133	12.7
300.02771	23.0
300.09561	2.4
300.99814	12.6
301.03473	11.4
308.77567	2.1
331.11835	37.4
332.12134	5.1
343.08234	23.0
361.09250	11.1
373.09024	2.7
375.10843	34.8
401.08743	22.6
402.09109	4.2
419.09927	4.5
463.04330	6.1
463.08929	11.9
463.25061	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	463.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21650	0.7
54.69991	0.7
59.01251	10.0
63.02278	2.3
65.00210	4.9
69.58083	2.9
69.58512	2.7
71.01250	4.9
78.56060	0.7
83.01261	3.4
85.02816	1.8
89.02308	4.4
93.03355	1.0
95.01234	0.9
98.20543	1.4
101.02312	3.4
107.01273	12.0
108.02106	1.3
108.77004	0.7
109.02833	1.8
113.02328	2.6
114.81853	0.8
115.07550	1.8
119.03394	0.8
121.02850	9.8
123.00757	1.8
125.02364	3.7
125.17443	0.8
125.55421	0.7
137.02324	1.3
139.03905	0.8
139.11201	1.4
149.02364	1.2
151.00278	46.3
151.53412	0.8
152.00969	1.3
163.00237	2.2
164.01025	0.9
165.01788	0.9
166.99762	1.3
168.00536	2.3
169.01320	7.7
178.99788	24.5
189.01830	1.2
193.01245	1.1
209.00819	1.4
211.03975	1.3
212.39169	0.9
213.01826	0.8
215.03391	0.8
216.00470	1.0
226.02536	1.0
227.03461	2.3
229.04968	1.0
243.02992	4.9
245.04465	1.7
254.02156	1.3
255.02940	9.1
256.03452	1.5
257.04510	1.2
271.02490	23.0
272.02982	3.6
273.04004	2.7
299.99091	14.2
300.02737	31.7
300.99878	14.4
301.03473	100.0
301.20233	6.4
302.00131	2.1
302.03839	8.6
330.02704	1.2
419.09644	0.9
445.02301	1.0
445.07889	10.2
463.09570	24.5
463.25522	23.8
464.09491	1.9
482.06839	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69692	0.4
63.02274	1.2
63.37136	0.5
64.14069	0.4
65.00186	2.6
72.10737	0.4
83.01262	1.5
107.01270	4.9
108.02067	3.0
109.02821	3.1
119.01279	0.6
121.02823	2.6
122.62962	0.4
135.00710	1.1
135.57588	0.5
139.03899	0.5
148.01564	3.5
149.02373	0.5
150.99127	0.9
151.00275	14.4
159.04385	0.7
161.02237	0.4
163.00294	4.6
164.01035	2.0
167.87956	0.5
169.01299	0.6
174.03119	0.9
175.03943	0.5
178.99797	6.1
183.04503	1.1
187.03914	1.3
189.76295	0.5
190.99828	0.6
192.00592	0.8
197.26694	0.4
199.03940	2.0
201.01811	0.6
201.05603	0.7
203.03383	0.7
211.03932	2.3
213.02010	0.6
214.02574	0.5
215.03442	1.1
216.01376	0.5
216.04128	1.1
226.02640	3.0
227.03429	5.6
228.03902	0.7
229.04919	0.8
230.84647	0.4
243.02965	23.0
244.03345	1.9
245.04457	2.2
254.02197	2.7
255.02965	43.1
256.03275	2.9
266.02051	0.5
271.02472	100.0
272.02899	8.1
273.03967	0.9
283.02344	1.1
299.02026	2.8
300.02734	89.6
301.03491	51.9
302.03781	2.8
463.08817	61.1
464.09109	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	463.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31503	1.4
52.15259	1.3
59.01252	25.1
61.98712	2.0
62.95134	1.3
65.00198	2.8
71.01243	6.5
71.02120	3.7
77.03865	2.2
81.03324	2.1
82.87850	1.3
85.02818	3.2
89.02306	4.1
90.45712	1.6
91.01765	1.4
93.03320	7.6
95.01283	3.3
95.04924	4.9
99.00802	1.6
101.02317	5.7
105.03329	4.1
108.02038	3.3
109.02840	16.0
111.00758	2.7
113.02331	2.6
121.02839	14.9
121.06486	7.8
123.00790	4.9
123.04389	9.5
124.01525	2.1
125.02330	9.4
132.02060	2.5
133.02882	14.7
135.00795	1.7
136.01558	2.3
137.02348	55.2
139.00270	1.9
139.03877	1.3
147.00764	5.9
148.01442	1.6
149.02347	14.3
151.00299	7.8
151.03946	4.7
153.09146	11.9
161.04530	1.6
163.00264	6.7
163.03952	3.4
164.01051	13.1
165.01859	27.0
165.05499	4.5
169.01347	5.2
174.03001	1.5
175.00270	4.7
175.03928	3.7
176.01053	6.0
177.01863	71.5
177.05452	3.3
178.02335	4.8
178.99806	12.9
179.03412	6.8
180.00443	3.1
181.01221	2.6
183.04297	1.6
183.13902	1.9
189.01924	2.1
190.02621	6.3
191.03424	5.6
193.01328	4.1
193.08589	3.6
200.01187	1.6
202.02617	7.3
202.99814	18.5
203.03427	5.8
204.04169	6.1
206.99306	2.5
208.00081	47.8
209.00845	30.8
209.11736	3.3
210.01422	2.6
215.30751	1.8
216.00658	2.6
216.04152	2.1
221.00873	87.6
222.01241	6.2
227.03471	3.8
229.01375	2.1
230.02167	3.9
241.05081	1.8
243.02953	4.8
244.00117	2.8
245.00764	3.4
246.98827	100.0
247.02534	6.4
247.99411	7.0
253.08760	1.9
255.02953	10.3
255.10274	6.3
256.02798	1.4
264.99817	4.8
271.02499	20.9
271.05759	2.4
271.09491	3.3
271.99664	2.1
272.02832	2.7
273.00510	1.9
297.07706	3.7
299.05966	2.1
299.09171	13.5
299.99084	53.9
300.02716	34.8
300.09570	2.0
300.99841	53.3
301.03464	17.9
302.00266	5.0
325.06995	1.9
331.11914	22.6
332.12311	2.4
343.08313	12.5
357.09866	1.7
361.09323	8.5
375.10916	24.3
376.10852	2.1
401.08829	29.5
402.08972	4.8
419.09869	6.6
445.07596	1.9
455.82712	1.5
463.05136	27.2
463.09625	10.3
463.24179	2.4
464.05212	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	463.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	0.6
63.02272	0.7
65.00197	1.0
83.01271	0.9
91.01797	0.4
93.03370	0.3
96.37746	0.3
98.19730	0.7
105.29599	0.3
107.01276	2.9
108.02068	1.7
109.02816	1.6
111.00744	0.3
119.01308	0.3
121.02872	2.2
123.55460	0.3
125.02322	0.7
135.00778	1.0
148.01575	1.7
149.02324	0.4
150.49072	0.3
150.89986	0.3
151.00284	11.1
152.00508	0.4
159.04431	0.5
163.00299	3.0
164.01074	1.0
169.01378	0.8
174.03015	0.5
175.03932	0.4
178.99780	6.0
180.00220	0.5
183.04500	0.6
187.03958	0.6
198.03125	0.5
199.03891	1.0
200.04321	0.4
201.01999	0.3
203.03458	0.5
211.03954	1.3
213.01906	0.5
215.03453	0.8
216.04198	0.8
226.02681	2.1
227.03432	3.9
228.04033	0.4
229.05019	1.1
239.03273	0.4
243.02975	13.5
244.03419	1.3
245.04530	1.3
254.02196	3.1
255.02982	27.7
256.03339	2.4
271.02484	69.3
272.02936	6.2
273.03995	1.0
283.02481	1.3
299.02005	1.3
300.02747	100.0
301.03445	41.1
302.03836	2.9
316.02277	0.3
369.77170	0.3
463.08829	49.1
464.09109	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	463.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69533	0.8
54.16754	0.8
55.15040	0.8
59.01253	1.8
61.42706	0.9
65.00185	3.0
69.47365	7.5
83.01275	1.0
85.38503	0.8
87.26676	0.9
93.03319	2.1
95.01278	1.7
107.01295	1.3
108.02042	1.6
109.02871	1.6
111.00789	2.0
123.00774	2.8
125.02348	1.4
132.02110	1.4
136.98694	2.6
139.00267	3.0
151.00201	5.3
152.01010	3.1
153.01776	1.6
159.04379	1.5
163.00241	2.2
165.98955	1.9
166.99783	2.3
169.01288	1.3
171.04424	2.5
173.64731	1.0
178.99776	4.4
181.01317	1.4
183.04405	1.5
185.05963	1.1
192.80817	1.1
193.01416	1.1
199.03963	2.6
200.04790	1.2
201.05519	1.2
206.31377	0.9
209.11691	3.2
211.03929	1.5
213.77708	0.9
215.03529	2.3
216.04259	1.5
226.02657	1.5
227.03468	12.0
228.04016	1.7
239.03575	1.2
243.02925	17.3
244.03549	2.2
245.04445	1.2
254.02129	3.0
255.02965	37.4
256.03455	5.5
257.04541	13.6
271.02460	42.6
272.03189	18.1
273.03851	3.1
283.02444	7.2
284.02979	1.3
299.99591	1.9
300.02725	54.8
301.00116	1.2
301.03452	35.4
302.03888	1.6
343.06760	1.9
419.10208	1.6
445.07831	1.2
463.08829	100.0
464.09250	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	463.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.0
59.01253	37.7
63.02268	1.8
65.00200	4.6
69.87411	1.1
71.01260	16.5
71.57617	2.0
72.99175	1.0
73.02810	4.4
73.28113	1.0
80.07664	1.0
81.03316	1.7
83.01276	5.7
83.04905	2.2
84.01954	1.2
85.02818	7.6
87.00778	1.8
89.02314	6.0
93.03366	1.6
95.01282	3.1
99.00749	1.8
101.02325	12.2
107.01270	11.8
107.04881	1.5
108.02070	4.0
109.02844	3.4
109.06472	1.1
111.00792	2.2
113.02356	4.9
119.03437	2.6
119.04919	1.4
120.18871	1.1
121.02852	2.5
122.03631	1.4
123.00762	4.7
124.01525	1.9
125.02354	18.6
127.70425	1.3
131.03404	4.0
132.00595	1.1
135.00751	1.4
137.02419	1.4
137.05980	1.6
139.00308	2.1
147.00771	2.5
147.04486	1.2
148.01563	3.2
149.02377	5.4
149.06020	2.5
151.00272	19.1
152.01050	1.3
155.07069	10.2
161.04437	8.4
163.00345	6.6
163.03947	2.6
163.11269	2.2
166.99834	2.6
167.03389	1.5
168.00520	1.6
169.01349	9.7
171.04387	1.4
171.10168	2.1
173.02432	2.1
177.01863	2.2
178.99744	7.2
185.02364	1.4
187.00270	2.2
187.03999	2.2
188.01013	1.2
189.01985	1.9
190.99782	1.4
193.01357	1.6
199.03873	1.8
199.09712	1.4
200.01059	2.7
201.01862	2.1
201.05524	1.7
203.03467	1.8
209.11781	46.3
211.04095	2.5
214.99821	1.5
215.03357	1.6
216.00636	3.3
227.03497	5.5
227.12883	8.9
228.00601	1.4
229.01413	2.3
229.05112	2.2
242.99300	5.0
243.02977	15.7
244.00104	4.2
245.00916	1.9
253.09236	6.1
254.02257	3.3
255.02972	28.0
256.03387	2.3
257.00836	1.7
257.04550	1.5
259.02487	1.4
265.12973	5.7
269.98120	1.6
270.98895	20.7
271.02493	66.1
271.99423	3.7
272.02994	7.2
273.00378	1.6
273.03952	1.3
282.98825	1.2
283.02475	5.1
285.00391	1.3
286.01196	6.7
286.98325	5.3
287.01978	3.6
297.97635	1.6
298.98361	8.3
299.01907	2.5
299.99112	46.5
300.02750	100.0
300.99872	42.0
301.03519	82.8
302.00262	2.6
302.03864	3.2
303.01340	2.3
312.99908	3.9
314.97845	8.1
315.01147	2.5
315.98569	24.5
316.02005	2.5
316.98877	1.6
330.00092	7.5
331.00974	26.3
331.17569	4.4
332.01361	2.7
401.14328	1.2
432.03220	7.1
433.03680	1.2
463.04688	31.6
463.09152	38.2
463.22195	3.0
464.05151	4.6
464.09814	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	461.2912
Annotation	Norquadrangularic acid A
Peak:m/z	Relative Intensity
57.03314	0.6
57.88549	0.6
59.01236	1.9
60.69149	0.6
63.06473	0.5
68.99666	0.6
69.85428	1.9
69.85844	1.7
71.01250	0.8
78.95773	1.0
81.03231	0.6
87.04324	0.6
95.01266	0.9
96.95859	0.8
97.06431	1.2
99.54023	0.6
105.83002	0.7
109.06470	0.9
111.00739	1.7
111.08045	0.6
123.00724	1.4
124.01508	0.9
125.02284	2.4
127.00259	0.9
136.98656	1.6
139.00259	3.0
140.01042	3.6
151.00218	0.7
153.15572	0.6
154.99728	0.7
168.00557	5.4
169.01276	2.6
175.10999	0.5
207.10143	1.3
225.11169	1.4
314.22372	0.8
357.88336	0.7
381.24161	1.0
397.27420	9.9
398.27728	2.0
399.29004	50.3
400.29352	7.8
417.30124	15.9
418.30380	2.1
443.28018	2.9
461.21936	9.4
461.28949	100.0
462.22192	2.2
462.29269	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	463.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36844	0.3
59.01263	0.4
61.56927	0.3
63.03304	0.3
69.50777	2.4
83.25633	0.4
88.95859	0.3
99.49270	0.3
122.66977	0.3
123.00710	0.6
125.02280	0.8
132.02110	0.5
145.02840	0.4
148.01508	0.4
154.01363	3.5
155.01669	1.3
160.01579	0.6
169.01343	1.0
172.01566	1.3
173.02332	0.5
185.02339	1.4
188.01083	0.8
200.01132	2.5
201.01747	0.6
216.00581	2.7
217.01263	0.3
226.99738	0.6
228.00571	1.2
229.01360	1.3
242.99210	1.5
244.00040	2.8
245.00688	0.5
255.05800	0.3
257.00928	1.7
270.98849	0.9
271.99515	1.3
282.98947	0.4
283.99625	0.9
298.98264	1.0
299.99109	100.0
300.99838	51.2
302.00214	3.6
371.11633	0.3
463.05170	36.3
464.05392	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	463.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.69236	0.6
69.42369	0.7
75.45522	0.5
79.74878	0.6
109.31300	0.7
166.38113	0.7
172.01541	2.5
176.60344	0.6
185.02307	1.4
188.01079	1.1
200.01065	2.4
201.01825	1.5
216.00534	3.9
222.87578	0.6
226.99809	0.8
228.00662	1.4
229.01390	1.4
242.99335	1.8
244.00095	4.5
245.00829	1.1
257.00845	0.7
258.36060	0.7
270.98779	1.5
271.99539	2.5
282.98737	1.8
283.99612	1.0
298.98358	0.8
299.99115	100.0
300.99829	42.4
302.00189	3.0
310.49463	0.7
387.95618	0.7
463.05209	37.8
464.05481	3.7
484.02042	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.0
59.01253	37.7
63.02268	1.8
65.00200	4.6
69.87411	1.1
71.01260	16.5
71.57617	2.0
72.99175	1.0
73.02810	4.4
73.28113	1.0
80.07664	1.0
81.03316	1.7
83.01276	5.7
83.04905	2.2
84.01954	1.2
85.02818	7.6
87.00778	1.8
89.02314	6.0
93.03366	1.6
95.01282	3.1
99.00749	1.8
101.02325	12.2
107.01270	11.8
107.04881	1.5
108.02070	4.0
109.02844	3.4
109.06472	1.1
111.00792	2.2
113.02356	4.9
119.03437	2.6
119.04919	1.4
120.18871	1.1
121.02852	2.5
122.03631	1.4
123.00762	4.7
124.01525	1.9
125.02354	18.6
127.70425	1.3
131.03404	4.0
132.00595	1.1
135.00751	1.4
137.02419	1.4
137.05980	1.6
139.00308	2.1
147.00771	2.5
147.04486	1.2
148.01563	3.2
149.02377	5.4
149.06020	2.5
151.00272	19.1
152.01050	1.3
155.07069	10.2
161.04437	8.4
163.00345	6.6
163.03947	2.6
163.11269	2.2
166.99834	2.6
167.03389	1.5
168.00520	1.6
169.01349	9.7
171.04387	1.4
171.10168	2.1
173.02432	2.1
177.01863	2.2
178.99744	7.2
185.02364	1.4
187.00270	2.2
187.03999	2.2
188.01013	1.2
189.01985	1.9
190.99782	1.4
193.01357	1.6
199.03873	1.8
199.09712	1.4
200.01059	2.7
201.01862	2.1
201.05524	1.7
203.03467	1.8
209.11781	46.3
211.04095	2.5
214.99821	1.5
215.03357	1.6
216.00636	3.3
227.03497	5.5
227.12883	8.9
228.00601	1.4
229.01413	2.3
229.05112	2.2
242.99300	5.0
243.02977	15.7
244.00104	4.2
245.00916	1.9
253.09236	6.1
254.02257	3.3
255.02972	28.0
256.03387	2.3
257.00836	1.7
257.04550	1.5
259.02487	1.4
265.12973	5.7
269.98120	1.6
270.98895	20.7
271.02493	66.1
271.99423	3.7
272.02994	7.2
273.00378	1.6
273.03952	1.3
282.98825	1.2
283.02475	5.1
285.00391	1.3
286.01196	6.7
286.98325	5.3
287.01978	3.6
297.97635	1.6
298.98361	8.3
299.01907	2.5
299.99112	46.5
300.02750	100.0
300.99872	42.0
301.03519	82.8
302.00262	2.6
302.03864	3.2
303.01340	2.3
312.99908	3.9
314.97845	8.1
315.01147	2.5
315.98569	24.5
316.02005	2.5
316.98877	1.6
330.00092	7.5
331.00974	26.3
331.17569	4.4
332.01361	2.7
401.14328	1.2
432.03220	7.1
433.03680	1.2
463.04688	31.6
463.09152	38.2
463.22195	3.0
464.05151	4.6
464.09814	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	461.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40927	0.8
52.61781	0.9
57.03330	1.1
59.01245	3.9
65.00200	1.4
67.01772	2.0
68.99677	1.6
69.99739	4.4
71.01245	3.6
72.99189	2.1
83.01257	3.0
85.06437	1.0
87.00725	1.2
95.01255	2.4
97.02832	1.7
99.00741	1.0
109.02848	1.2
109.99990	2.0
111.00766	19.3
123.00771	11.6
124.01576	13.4
125.02351	10.0
127.00272	6.9
136.98705	11.2
138.03119	1.3
139.00261	18.1
140.00026	1.6
140.01056	23.8
141.01753	1.3
151.00272	7.2
154.99782	1.5
156.45166	0.9
165.12682	0.9
166.99818	5.8
167.26875	1.0
168.00554	50.3
169.01349	5.6
206.02068	1.6
207.10216	1.1
217.16147	1.0
225.11258	1.6
253.86836	1.1
273.11368	2.4
289.14371	1.8
291.19617	7.4
292.20102	0.9
309.20721	11.9
309.58566	0.9
317.10321	1.5
328.02051	1.0
335.11298	7.1
373.23810	1.7
376.50989	0.8
381.20999	1.0
395.35593	1.0
399.21573	4.4
417.22812	3.0
417.30374	1.2
443.20294	1.2
461.21799	100.0
461.28964	16.1
462.22156	12.8
462.28946	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	461.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31876	1.4
59.01236	4.6
65.00195	3.0
67.01759	2.6
71.01257	2.5
71.20427	1.7
71.20760	3.1
72.99173	3.5
87.00762	1.6
95.01252	2.6
107.01263	1.8
111.00767	23.9
123.00757	11.9
124.01546	16.7
125.02319	6.2
127.00241	9.5
136.98709	13.5
139.00262	24.9
140.01057	35.7
151.00270	2.7
154.99825	2.5
165.42108	1.5
166.99768	15.6
168.00555	100.0
169.01263	9.3
169.02559	1.6
207.10150	3.8
225.11267	2.0
268.19226	1.5
291.19525	1.5
301.29874	1.4
309.20746	7.2
391.86160	1.6
399.21539	2.4
399.29001	3.3
417.22348	7.1
417.30347	2.3
443.27878	2.3
461.21738	62.1
461.28949	14.9
462.22107	11.3
462.28967	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	461.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70584	0.6
50.76035	0.5
57.03328	1.4
59.01260	2.9
65.00205	0.8
67.01752	1.4
68.99704	1.5
69.03309	1.3
71.01245	2.6
71.36609	1.3
72.99197	1.5
83.01269	2.7
83.04926	0.8
85.02862	0.8
85.06471	4.7
87.00777	0.9
87.04385	1.1
87.76351	0.6
95.01285	1.5
95.04911	0.8
96.95893	1.0
96.99209	0.8
97.02845	1.5
97.06478	2.1
99.00776	1.2
100.48128	0.7
101.02326	0.6
107.01267	5.4
108.87968	0.6
109.06445	0.9
110.00007	2.1
110.18973	0.6
111.00763	11.0
113.09626	1.1
123.00769	7.5
124.01562	6.6
125.02345	43.6
126.02689	1.7
127.00279	5.1
136.98695	8.0
138.03148	2.5
139.00279	13.2
140.01071	20.3
141.01770	0.8
149.09718	0.7
151.00275	4.5
154.99660	0.8
165.12747	0.8
166.99763	1.4
168.00565	20.6
169.01343	50.8
170.01755	1.7
181.12289	0.8
199.90758	0.6
207.10251	1.8
209.11884	0.8
225.11295	1.4
290.09564	0.7
291.19681	6.1
292.19705	0.9
293.21201	3.7
303.19730	2.2
309.20709	17.3
310.21085	1.7
319.22733	1.7
329.24872	0.9
329.28464	1.8
331.22781	7.6
373.27356	1.5
375.29160	3.6
383.25958	1.7
389.26746	1.8
399.28979	8.6
401.26950	0.7
417.30518	8.3
418.30310	1.7
443.20761	2.4
443.27979	4.3
461.21808	100.0
461.29044	61.7
462.22156	16.6
462.29413	7.5
487.02072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.5
55.92274	1.8
57.03334	3.7
59.00952	3.2
59.01252	67.3
69.03313	2.6
71.01254	44.0
71.14990	5.3
73.02826	17.3
80.39012	1.9
83.01258	5.6
85.02821	19.2
86.03172	2.3
89.02323	7.1
95.01280	5.2
99.00769	9.3
101.02316	37.0
107.01278	11.2
109.20165	2.0
111.00780	3.1
113.02338	16.5
119.03407	2.7
121.02863	2.5
123.00777	5.5
125.02335	29.5
126.02688	2.8
131.03397	26.5
133.02942	2.4
137.02350	2.4
139.00333	5.6
145.02893	3.9
159.02914	4.9
161.02336	4.3
161.04471	27.8
163.03923	2.4
166.99765	14.4
168.00533	3.9
169.01341	46.7
170.01704	3.6
173.02361	2.2
175.04019	2.8
185.00839	6.8
189.01869	3.8
201.01855	2.8
203.03349	4.5
211.02473	2.2
214.99786	3.0
216.00639	2.0
217.01372	4.9
219.58409	1.9
229.01418	5.6
245.00891	5.2
247.02393	4.9
249.03944	2.9
257.00909	2.3
260.43515	2.0
261.00256	2.5
269.10287	100.0
270.10669	6.2
270.98831	9.5
273.00357	5.6
275.01984	6.6
288.99936	3.2
298.98291	9.1
299.99078	9.1
300.99915	31.3
302.00171	5.7
313.00131	2.4
314.22754	2.2
364.08005	2.3
401.14404	11.2
433.04037	4.0
461.03583	13.2
462.03979	5.8
462.10187	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50103	0.8
55.01746	1.1
58.00467	1.0
59.01252	34.4
63.96104	2.0
66.96189	0.7
67.01771	0.9
71.01252	20.6
72.99196	3.9
73.02812	2.2
83.01259	1.9
83.04918	1.4
83.53444	0.8
85.02823	5.4
87.00761	1.2
89.02319	23.7
95.01262	3.0
97.02842	1.0
99.00776	1.3
101.02323	17.7
107.01259	4.0
108.93613	0.9
111.00793	1.5
111.04445	1.0
113.02325	8.2
117.97184	7.6
119.03385	11.0
119.26756	0.8
123.00758	5.8
125.02334	19.1
126.40600	0.8
129.05475	13.4
136.98740	1.5
137.02298	0.8
138.06732	1.0
139.00269	2.7
140.01059	1.9
141.01898	0.8
147.06523	2.4
151.00290	2.4
151.07524	1.0
152.08432	1.0
153.09137	6.8
154.99695	0.9
161.04510	1.8
163.00212	1.0
164.90227	0.7
165.09206	1.2
166.99744	1.1
168.00565	5.1
169.01349	23.1
170.01634	0.9
185.01016	0.9
189.01874	1.0
211.02405	14.1
214.99873	0.9
217.01410	1.6
221.11758	3.8
229.01299	1.1
230.59993	1.2
239.12822	4.6
245.00943	1.8
247.02380	1.1
261.00327	1.3
270.98804	3.5
271.04593	15.5
273.00409	3.4
275.01932	2.2
298.98306	4.0
299.99084	6.3
300.99908	7.2
302.00061	1.1
309.11908	66.5
310.12299	3.9
313.05789	1.5
316.99377	0.8
331.06741	1.2
361.69827	0.8
371.00333	1.2
394.81973	0.9
415.12350	2.0
443.02344	1.0
443.12137	0.9
461.03796	6.5
461.13007	100.0
462.03882	2.2
462.13470	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83995	0.8
55.89190	0.8
58.00451	1.7
59.00954	1.6
59.01253	28.5
65.00183	1.1
69.03325	1.5
69.88271	6.1
71.01250	12.6
72.99183	3.2
73.02822	1.2
83.01249	2.0
85.02824	4.1
87.00742	1.6
89.02319	13.5
95.01262	3.1
98.20531	1.4
101.02333	8.9
107.01272	10.5
110.00075	1.0
111.00758	3.9
113.02309	5.5
117.03321	1.5
119.03391	6.9
121.02836	1.6
123.00774	7.4
124.01591	2.6
125.02345	51.8
126.02615	1.7
126.90369	1.2
127.00249	1.8
132.02119	1.1
133.02864	1.7
136.98726	2.8
139.00294	6.9
139.03831	1.8
140.01042	4.5
141.01883	1.5
145.02867	3.2
147.04420	1.4
147.06528	3.3
149.02373	1.0
151.00287	2.6
153.11775	1.0
159.04440	1.1
161.02356	4.1
161.04506	1.8
163.00290	2.0
163.03931	2.0
165.01768	1.2
166.99770	4.3
167.03394	2.0
168.00569	20.3
169.01341	65.5
170.01703	3.2
171.00720	1.4
173.02435	1.2
173.35011	0.9
175.00208	1.5
175.03915	1.9
177.01820	2.4
183.02905	1.1
185.00819	1.2
185.02376	1.9
187.00317	1.9
189.01823	3.0
190.02597	1.3
191.03362	2.0
200.01103	2.1
201.01848	3.2
203.03479	1.6
203.10699	1.5
205.01509	1.4
211.02429	68.9
212.02785	4.0
214.99733	2.4
216.00517	1.7
217.01350	4.3
219.02937	1.0
228.00786	1.2
229.01344	2.5
230.99239	1.0
235.02333	1.0
242.99286	2.8
244.00032	2.2
244.54549	0.9
245.00926	5.4
247.02455	3.5
248.03000	1.2
257.00842	1.2
261.00461	3.0
263.01807	1.8
270.98798	6.8
271.04593	69.4
271.99438	1.5
272.04965	3.2
273.00381	4.0
274.01016	1.5
275.01959	3.8
289.00095	1.0
298.98282	6.3
299.01578	1.4
299.99115	23.1
300.99878	24.6
302.00220	2.4
309.11911	34.9
310.12231	1.6
313.00183	1.2
316.99481	2.6
317.99738	1.6
331.06577	3.8
343.00958	3.8
371.00452	6.5
405.04578	1.3
415.12534	1.6
433.04007	1.7
443.02686	2.1
443.89337	1.0
461.03513	24.1
461.13000	100.0
462.03790	5.2
462.13379	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04912	1.0
58.49099	0.9
59.01259	6.1
66.27504	1.0
67.01758	1.0
70.91943	3.0
71.01258	5.3
83.92706	1.0
85.02806	1.6
88.96477	1.0
89.02327	2.4
99.00752	3.1
101.02325	1.4
107.01266	5.0
111.00767	3.2
113.02379	1.0
123.00794	6.2
125.02335	29.6
125.08307	1.1
126.02718	1.2
126.69011	1.0
136.98717	2.7
139.00276	3.8
140.01076	4.3
141.01775	1.3
151.00262	3.1
165.01888	1.4
168.00584	16.7
169.01346	47.2
170.01721	1.8
211.02426	74.6
212.02783	4.8
248.80382	1.3
271.04590	100.0
272.04932	6.6
275.23929	1.1
331.06720	17.7
461.08905	11.6
462.09781	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	461.1091
Annotation	Isoswertiajaponin
Peak:m/z	Relative Intensity
53.25563	0.3
59.01254	3.6
69.03332	0.6
70.13188	0.3
71.01244	2.0
72.00154	0.3
73.02830	0.4
74.62289	0.3
83.01280	0.5
85.02834	0.6
89.02313	1.6
92.17793	0.3
99.00729	0.3
101.02329	0.8
109.36172	0.3
113.02324	0.5
123.00811	0.6
123.04344	0.5
125.02354	1.9
149.05980	0.4
151.00203	0.4
152.51375	0.3
161.02382	0.5
167.03470	0.4
167.10649	0.4
169.01315	2.5
175.03943	0.8
177.01871	0.8
183.04416	0.4
185.02353	0.6
185.30000	0.3
189.01834	0.5
191.03606	0.5
193.05046	0.4
197.40372	0.3
201.01884	0.6
202.02637	0.8
203.03447	2.0
205.01413	0.4
211.03978	0.5
213.01834	0.5
214.02617	0.8
217.01355	1.0
218.02100	0.6
219.02878	0.5
225.05705	0.5
226.02640	0.6
227.03458	9.8
228.03990	1.1
229.01434	2.3
229.04909	2.2
230.02095	0.8
230.05521	0.5
231.03001	0.5
233.06728	0.5
235.06026	0.6
240.04201	0.9
241.05054	3.3
242.02110	1.9
243.03047	2.3
245.00835	1.0
247.02316	0.7
248.03212	1.1
249.04048	0.5
253.04921	0.7
255.02919	3.2
255.06642	1.8
256.03674	0.5
257.04593	0.5
261.04089	2.1
267.02902	0.8
269.04526	1.0
269.08160	1.7
270.05640	0.4
270.08792	1.8
270.99600	0.6
271.02420	3.8
271.05319	0.5
271.09518	0.5
272.03125	0.6
273.07788	0.4
273.41577	0.4
277.03659	0.6
279.06671	0.4
281.08081	0.7
282.05292	0.4
283.02686	0.7
283.06097	0.9
283.99686	1.0
285.00812	0.6
285.03970	3.3
285.06992	0.6
286.04865	0.6
286.08527	0.4
287.05627	6.4
288.06015	0.9
296.03326	0.6
297.07635	5.3
298.01065	0.6
298.08139	0.6
299.02090	0.6
299.05670	0.7
299.09311	1.3
300.99881	1.8
301.03540	3.3
312.99884	0.8
313.07132	0.8
314.07922	1.1
325.07083	4.3
326.07629	0.8
327.05304	0.6
341.06625	0.7
342.07364	1.2
343.08307	0.6
353.06653	1.4
357.09799	10.1
358.10211	0.7
370.06729	0.4
385.09512	3.1
386.09589	0.5
415.03229	0.4
417.12164	2.3
429.08270	1.4
461.10934	100.0
462.11313	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	461.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81914	0.3
54.42768	0.3
56.08726	0.3
56.65171	0.3
59.01244	0.4
65.00191	0.3
71.01266	0.3
77.42979	0.3
107.01266	0.7
108.59088	0.3
121.94585	0.3
123.00801	0.5
125.02306	1.1
130.00510	0.6
142.00476	0.4
145.02841	1.1
145.65800	0.4
145.99898	0.5
169.01334	1.9
197.99538	1.1
213.99008	1.0
215.10211	0.3
238.54019	0.3
241.98508	1.2
242.99248	0.3
254.99319	1.8
257.00888	1.6
269.98068	26.0
270.98383	1.8
282.98895	0.7
285.00427	13.9
286.00867	1.1
297.01093	0.4
297.97546	54.5
298.97968	4.7
299.01663	0.7
300.99838	1.0
312.99896	100.0
314.00281	9.3
328.02240	55.3
329.02570	4.6
431.02371	0.4
446.04938	6.8
447.05396	0.6
461.07266	44.3
462.07559	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	461.0726
Annotation	Stenophyllin
Peak:m/z	Relative Intensity
69.26098	7.9
69.26412	1.8
71.30093	0.7
82.07858	0.7
96.37180	0.8
130.00467	1.1
169.01312	1.4
197.99509	1.7
213.99075	0.8
241.98534	1.7
254.99323	3.9
257.00967	3.1
269.98056	42.1
270.98242	3.7
285.00421	19.9
286.00684	1.5
297.97559	79.2
298.97885	5.1
312.99911	100.0
314.00168	7.4
328.02249	76.2
329.02646	3.6
398.31839	0.8
446.05103	6.5
454.23279	0.7
461.07281	47.7
462.07568	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	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.6
57.03322	1.0
59.01250	100.0
60.01589	1.0
61.98709	1.2
64.71507	0.6
66.80460	0.6
69.53619	1.9
69.54049	2.9
71.01256	9.2
72.99200	0.7
73.02836	1.0
83.01269	1.0
85.02839	2.4
87.00771	1.5
89.02322	9.0
96.95908	0.7
98.19817	1.0
101.02324	5.9
113.02336	3.3
119.03397	4.7
125.02336	1.5
132.02080	1.1
143.03419	1.2
160.01587	4.0
161.04518	1.8
169.01385	1.2
175.03906	4.3
179.05658	1.1
202.99878	1.1
210.03244	0.7
211.03973	0.7
239.07191	0.7
246.98804	1.3
253.01439	0.9
255.03076	0.8
270.01920	0.8
281.00955	1.5
282.01825	1.2
297.00592	1.1
301.03540	1.4
307.19330	0.9
309.00534	1.7
311.01923	0.8
311.05539	0.7
315.25262	0.7
325.00021	1.1
336.99854	1.2
352.99405	0.9
383.07993	1.5
396.82629	0.7
399.07462	1.1
399.24069	1.2
413.01483	9.5
414.02090	1.7
415.10068	5.1
416.10880	0.9
459.09354	2.5
459.16855	2.2
459.29849	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	459.2905
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
56.04684	0.9
59.82827	0.7
63.06241	0.7
63.90763	0.7
70.89092	0.7
70.89424	2.0
76.61382	0.7
83.62331	0.7
86.79781	0.7
91.76686	0.8
96.76384	0.8
103.70165	0.8
107.04914	30.9
108.05232	1.3
125.19282	0.8
163.11201	100.0
164.11577	5.2
165.73225	0.7
173.36917	0.8
177.03983	0.9
191.60909	0.7
222.66463	0.8
283.17035	23.2
284.17426	1.7
295.17010	12.8
296.17435	1.9
349.97205	0.8
442.24033	0.8
459.29053	74.8
460.29410	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	459.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14025	0.7
55.01764	1.9
57.03316	3.3
59.01256	100.0
60.01607	1.1
67.01779	1.4
69.03320	1.8
70.21754	2.8
70.82062	0.8
71.01260	29.0
71.11111	0.8
72.04533	0.8
72.99173	2.6
73.02827	7.5
81.03354	0.8
83.01262	5.8
83.04913	5.8
85.02827	13.8
86.00005	1.0
87.00756	8.6
87.04385	1.4
89.02319	11.4
91.01792	1.1
93.03355	1.0
95.01273	5.8
96.95886	1.2
97.02818	2.1
99.00760	2.6
99.04393	1.4
101.02332	21.5
107.01275	5.1
107.04879	0.9
109.02840	2.3
111.00788	3.0
113.02344	10.1
117.03350	3.4
119.03406	4.7
119.04920	1.5
121.02839	1.3
123.00783	12.3
124.01491	1.0
125.02336	21.7
135.04449	1.6
136.98775	1.1
137.02339	1.3
139.00243	3.8
140.01068	2.6
141.01875	1.7
143.03442	1.0
145.02866	11.2
146.03204	0.8
151.00307	9.8
151.03899	1.3
151.07558	9.2
153.01810	1.2
159.02914	1.0
161.02379	1.6
161.04492	5.3
163.00276	1.5
163.03946	1.1
165.09111	0.9
166.99762	3.1
168.00583	3.0
168.99962	1.5
169.01350	27.3
169.02780	1.5
170.01683	1.2
175.03857	1.2
178.99829	2.4
179.10732	1.5
191.03365	1.8
201.01720	1.6
211.02443	1.7
214.99744	0.8
219.13849	2.6
223.13371	8.7
224.13695	0.9
237.14899	1.8
243.03093	0.9
245.00909	0.9
255.02956	1.7
267.12451	5.0
271.02292	1.8
273.00278	2.5
274.01123	2.4
275.01901	1.7
283.02478	0.9
296.26904	0.8
299.99402	1.3
300.02441	1.6
300.99899	4.5
301.03528	11.5
302.03876	1.9
307.08456	0.9
313.05682	1.2
315.14557	1.1
369.15616	3.1
383.05011	2.3
399.20129	3.1
415.06543	4.0
415.13705	1.5
441.21384	8.3
442.21146	1.0
443.84906	0.8
459.22971	94.8
460.23285	11.8
465.06641	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2022
Annotation	brugunin A
Peak:m/z	Relative Intensity
52.82619	1.0
59.01241	3.9
59.68631	1.0
65.00191	1.7
67.01755	2.6
67.73376	0.8
68.99674	2.5
69.91858	2.5
69.92255	1.5
71.01250	1.7
72.99182	2.2
78.00935	0.9
81.92075	0.9
83.01257	1.8
95.01259	2.8
96.95862	1.3
97.02840	1.1
98.29495	0.8
99.00745	1.0
101.96590	0.8
102.69866	0.8
107.01255	2.6
109.99985	1.7
111.00762	15.4
113.97327	1.0
121.02793	1.6
123.00767	14.9
123.04409	0.9
124.01547	12.0
125.02338	20.4
125.09608	1.1
127.00252	6.4
136.98723	9.8
138.03116	1.5
138.99248	1.3
139.00262	18.1
140.01060	24.2
141.01846	1.2
143.12894	0.9
151.00290	5.6
154.99750	1.8
157.79973	1.0
166.99762	5.8
168.00552	39.3
169.01321	19.8
170.01563	1.0
191.03325	1.5
191.14357	2.1
206.02162	1.6
219.24423	0.8
224.40559	1.0
245.19066	2.7
247.13348	1.7
251.23125	0.9
273.11374	4.3
289.14658	2.0
289.18121	6.7
291.12524	1.5
307.19101	9.3
317.10175	3.4
327.91110	1.2
335.11343	18.7
336.11661	1.3
351.14703	0.9
379.19492	1.4
397.20355	4.7
397.24722	0.9
415.21283	2.4
441.19131	1.8
459.20255	100.0
459.26740	5.1
460.20615	14.5
468.44989	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.8
56.98278	0.8
57.03341	0.8
59.01252	11.2
59.51508	0.8
67.01761	1.2
68.99702	1.1
69.57780	6.1
70.98112	0.8
71.01253	9.7
72.99175	2.1
73.02827	1.3
75.00787	1.4
81.03335	1.0
83.01257	1.9
85.02803	3.7
87.00769	1.1
89.02325	6.5
95.01278	4.6
97.02849	1.1
99.00759	1.5
101.02317	6.8
107.01263	5.3
109.02826	1.5
111.00779	2.4
113.02328	4.1
117.03341	2.9
117.56316	0.9
119.03362	1.5
121.02902	0.9
121.04954	4.5
123.00769	5.7
125.02341	16.7
126.02679	0.9
127.00373	0.9
132.02080	17.7
133.02815	3.4
134.03642	26.6
135.04410	2.4
137.02332	2.1
139.00273	4.0
140.00981	1.0
141.01854	1.0
145.02869	2.1
147.00769	1.5
149.06015	4.5
151.00296	0.9
151.03850	0.8
156.93172	0.9
159.00806	1.2
160.01573	83.0
161.02383	5.6
163.00325	2.1
166.99805	6.5
168.00459	1.4
169.01341	18.6
170.01634	1.0
175.03928	100.0
176.04291	4.6
177.01825	1.7
178.02580	1.7
179.03523	1.0
185.00854	1.3
185.02420	1.0
187.00372	2.1
188.01122	1.1
189.01863	1.9
190.02643	1.1
191.03415	1.9
191.07124	1.3
193.04994	41.5
194.05420	2.3
201.01892	1.6
202.99893	1.2
203.03488	1.9
214.99927	1.5
217.01427	3.0
220.39432	0.9
227.03152	0.9
229.01251	1.6
235.06134	4.6
243.99960	1.0
245.00891	3.2
247.02695	1.1
261.00354	1.8
265.07324	1.4
270.98929	1.2
271.04706	1.0
273.00327	1.8
275.01868	2.7
283.10400	1.1
286.98172	1.6
288.99808	1.3
295.08243	1.6
298.98285	1.6
299.99146	1.6
300.99887	12.7
302.00174	1.2
307.04556	1.3
329.06628	1.0
337.09369	1.7
430.03860	1.1
459.15097	60.8
460.15448	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	457.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44224	1.2
57.03316	3.2
58.00472	1.8
59.01254	48.2
66.53536	1.3
68.99694	1.4
69.03329	4.8
69.25420	13.7
71.01256	35.6
72.55416	1.3
72.59418	1.4
72.99166	3.0
73.02814	5.1
73.48163	1.3
83.01259	5.0
83.04902	2.0
85.02821	12.8
87.00738	3.3
89.02321	20.9
93.03363	1.7
93.06951	3.0
95.01270	5.0
97.02853	2.1
99.00741	3.9
100.42725	1.3
101.02338	17.5
109.06485	4.0
111.08054	26.6
112.12708	1.4
113.02338	13.4
113.09613	2.4
119.03398	7.4
123.00792	7.2
125.02345	8.7
125.05984	2.1
131.03474	1.3
137.05951	2.3
139.00320	1.4
139.07556	100.0
140.07892	3.6
148.05167	1.6
151.00267	4.6
155.07051	24.1
157.08617	72.0
161.04434	2.5
163.07437	1.3
169.01357	8.8
197.08153	1.3
212.23318	1.3
271.04651	2.5
285.03915	2.4
300.99973	2.7
301.03455	2.7
301.12933	69.7
302.13242	3.9
319.13980	96.6
320.14468	6.8
380.47119	1.5
439.19785	1.5
457.04953	2.5
457.21158	86.7
458.20932	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	459.1146
Annotation	7-O-6'-O-Malonylcachinesidic acid
Peak:m/z	Relative Intensity
50.30906	2.4
56.36351	2.7
59.01249	12.4
60.62592	2.1
65.03828	3.0
67.01777	3.6
69.03304	3.4
70.43758	9.1
71.01253	11.6
83.04907	5.1
85.02801	3.3
89.02308	4.9
95.01272	5.6
101.02273	4.8
107.01263	8.2
111.00758	5.1
113.02326	4.8
119.03413	2.9
123.00772	21.6
124.01585	3.0
125.02336	38.6
127.00193	2.9
127.03892	4.7
127.14859	2.2
139.00252	8.5
140.00993	4.5
141.01862	5.8
151.00252	11.0
163.00288	3.1
164.87581	2.3
166.99762	6.2
168.00534	9.7
169.01340	56.7
192.05881	3.0
200.56668	2.5
211.02472	26.8
214.99629	2.8
261.00116	2.5
271.01913	3.1
271.04633	46.1
275.01791	2.6
299.99393	2.7
300.99872	7.8
307.10339	5.4
331.06738	5.3
373.99515	2.4
441.10141	5.2
459.11368	100.0
460.11655	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	459.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	11.1
67.82663	4.3
71.01247	12.2
71.56848	7.6
72.67588	4.2
73.02817	56.4
85.02828	5.3
89.02279	6.1
95.01262	5.1
99.00781	7.1
106.53082	4.2
113.02357	8.3
116.92741	30.7
117.01829	100.0
125.02343	6.9
125.51653	4.3
128.03413	5.0
129.01863	4.5
140.14261	4.2
169.01283	7.0
197.50737	4.8
216.30838	5.2
245.86369	4.6
247.04462	4.2
271.04630	6.5
325.86728	4.3
428.83878	4.8
459.12726	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	457.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66662	1.3
55.01767	1.3
57.03329	3.1
59.01255	26.8
65.54114	1.3
67.01746	2.4
69.03337	2.1
71.01256	17.0
71.31807	1.2
71.57245	1.4
72.99186	2.7
73.02824	1.4
75.00740	3.2
83.01268	1.7
85.02821	5.0
87.00743	1.2
89.02322	14.9
95.01267	3.5
96.95893	2.0
99.00780	2.4
101.02329	9.2
107.01272	4.9
110.13197	1.2
111.00758	4.1
113.02365	5.7
119.03397	7.7
123.00786	16.0
125.02342	28.4
125.05951	2.3
127.00234	1.5
135.04407	1.2
136.98734	2.2
139.00285	5.3
140.01038	2.9
151.00273	4.2
161.04475	2.2
166.99748	2.3
168.00566	10.3
168.99965	2.1
169.01350	33.0
170.01660	2.0
179.05391	1.9
195.05069	3.5
211.02434	24.2
216.13991	1.2
222.25999	1.3
239.12741	2.2
241.36679	1.1
271.04626	19.0
296.43005	1.2
300.99896	6.0
305.12424	26.0
306.12616	1.4
387.20313	2.4
396.20184	1.5
439.12393	2.9
457.13446	100.0
458.13824	12.6
458.20148	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	457.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	3.2
55.87159	1.7
57.03305	1.8
58.00465	2.8
59.01251	48.0
69.03329	3.1
71.01256	35.8
71.57655	3.8
72.99191	1.8
73.02830	4.2
78.86127	1.9
83.01246	4.6
85.02812	11.1
85.20029	1.8
87.00732	3.2
88.16496	1.5
89.02312	21.1
91.97357	1.8
93.06977	2.3
95.01266	4.3
99.00748	3.4
101.02321	23.9
109.06449	3.7
111.08039	28.5
113.02331	13.3
113.09647	2.6
119.03383	9.6
123.00774	7.4
125.02348	9.6
137.05936	3.2
139.00237	3.9
139.07553	99.9
140.01064	2.4
140.07916	5.3
148.05190	3.2
151.00273	3.0
155.07042	21.9
156.07381	1.7
157.08609	78.1
166.99738	2.6
169.01320	9.2
180.67827	1.9
211.02367	2.9
211.55646	1.9
236.85510	1.8
271.04794	2.9
300.99951	3.1
301.09622	3.6
301.12939	65.3
302.13284	5.4
319.13980	100.0
320.14276	6.9
439.19357	2.2
457.04504	2.5
457.21191	81.3
458.21600	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	455.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57071	0.4
55.01767	0.5
59.01251	100.0
60.01584	1.0
61.98711	1.5
70.98245	1.2
71.01254	11.1
72.99178	0.5
73.02829	1.6
83.01230	0.9
85.02828	2.9
87.00797	0.5
87.04418	0.4
89.02320	9.7
95.01273	1.2
99.00776	0.8
101.02331	5.5
109.02888	0.4
113.02325	4.7
117.03345	0.4
118.88398	0.4
119.03397	3.5
121.06456	0.7
123.04431	0.4
125.02334	2.0
131.03413	0.7
137.09619	2.8
139.00377	0.6
143.03389	0.9
145.02853	0.7
147.04375	0.4
149.04420	0.5
153.05486	0.5
159.02977	0.5
160.01541	0.5
161.04460	4.9
163.11244	0.7
165.05495	0.5
169.01338	1.8
175.03966	0.6
179.05518	1.9
179.47716	0.4
233.15564	0.6
301.00015	2.1
309.08539	0.4
311.53668	0.4
312.05197	0.4
317.26041	0.5
384.10696	0.5
404.60159	0.4
408.22995	0.4
412.10608	1.0
423.00143	0.6
455.19269	0.6
455.35495	0.8
456.09940	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39199	1.4
57.94454	1.5
71.04916	4.1
94.89143	1.3
138.41103	1.3
146.32027	1.3
185.27847	1.3
196.63762	1.4
294.12997	1.6
328.71173	1.6
336.82910	1.5
437.30795	1.6
455.35501	100.0
456.35822	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	455.353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09462	0.4
71.17875	0.4
73.40480	0.5
75.44148	0.4
78.85506	0.4
79.86379	0.4
97.06496	0.5
140.66986	0.4
204.86188	0.4
210.09735	0.4
215.64145	0.4
282.80832	0.4
299.43896	0.5
308.08237	0.4
381.85703	0.4
407.33066	0.9
439.31924	0.5
455.35324	100.0
456.35681	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	455.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00021	1.1
53.92759	1.2
55.01753	4.0
57.03320	4.4
58.00473	2.8
59.01252	82.9
65.17905	1.1
67.50314	1.1
69.03342	2.2
71.01255	49.4
72.99191	5.1
73.02821	24.9
75.00753	1.8
81.03342	2.6
83.01257	19.4
85.02831	27.7
85.03352	1.5
85.99973	1.6
87.00757	5.6
89.02313	8.3
95.01280	4.9
97.02821	2.8
99.00774	12.6
99.04391	1.5
101.02324	57.8
103.03898	2.0
107.01302	6.8
109.02872	1.6
111.00762	2.9
113.02327	20.8
119.03385	2.7
119.04925	1.2
123.00771	7.5
124.01643	1.2
125.02345	25.2
126.02691	2.6
129.01831	1.7
137.02296	1.3
139.00253	2.2
140.01115	2.6
141.01807	1.4
143.03395	2.0
145.02870	4.7
145.04964	1.3
151.00269	3.3
159.02893	5.8
161.02380	2.2
161.04453	17.4
163.00299	1.8
163.03906	3.1
163.05989	1.5
166.99760	3.6
168.00531	3.8
169.01352	29.5
170.01695	3.6
173.02422	1.2
177.01923	2.4
189.01898	2.0
191.03407	1.9
201.01868	1.5
211.02473	3.0
214.99765	1.4
218.01974	1.3
229.01453	1.4
229.07225	1.4
239.12794	2.4
245.00819	1.9
247.02393	4.2
248.02852	1.6
249.13403	89.6
250.13797	5.5
259.99753	1.4
271.04578	3.5
273.00412	2.3
293.12210	1.2
299.98892	2.5
300.99866	5.3
302.00287	1.9
313.05609	1.8
395.19217	100.0
396.19635	9.3
429.17917	3.7
455.15836	14.3
455.21014	1.8
456.19196	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.9
57.03322	0.9
59.01253	100.0
60.01577	1.2
61.98699	3.0
67.01757	0.8
68.99670	0.9
71.01259	3.6
71.37437	0.9
71.37770	1.1
73.02823	1.6
85.02827	2.4
87.04392	82.8
88.04739	2.2
89.02322	1.4
95.01274	1.4
95.42910	0.8
101.02299	2.4
107.01273	3.1
107.04947	0.9
108.02058	3.1
108.05302	0.8
108.85323	0.9
109.02808	1.9
111.00752	0.9
113.02318	2.8
117.03286	1.1
119.03366	1.2
119.92023	0.9
123.00757	2.3
123.04305	0.8
125.02327	10.2
132.02089	1.1
133.02859	0.9
135.04463	1.4
139.00273	1.9
141.01749	0.9
145.02834	3.2
147.04442	0.9
151.00308	0.9
152.01080	2.0
153.01839	1.3
153.05518	1.2
155.07085	1.9
155.98534	0.9
160.01544	2.1
161.02347	2.4
161.04471	1.7
161.11749	4.4
163.00256	2.0
163.03879	0.9
165.01813	0.9
166.99765	1.9
168.00507	1.6
169.01344	13.1
175.03902	2.7
177.01906	1.4
201.01933	1.4
203.06723	0.8
217.01411	1.6
227.03474	0.9
229.01459	1.3
245.00941	1.9
247.02499	2.4
250.08073	0.8
273.00552	1.6
275.01880	1.7
285.03860	1.0
299.98947	1.3
300.99823	8.3
301.03232	1.4
302.00314	1.2
305.16046	14.4
322.67081	0.9
393.21060	2.0
453.00323	2.6
453.17661	1.7
454.05798	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	455.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.0
58.00456	0.9
59.01247	9.7
60.99170	1.2
61.98684	1.1
65.03819	1.3
69.03323	2.0
71.01257	6.4
72.99179	0.5
73.02824	1.9
75.00733	2.3
81.03336	0.8
82.62711	0.5
83.01244	0.7
83.04893	3.6
85.02810	1.5
89.02305	1.4
93.06974	5.5
95.01299	0.7
95.04899	1.0
101.02314	3.0
107.04887	0.8
109.06472	6.7
111.00690	0.8
111.08038	9.8
113.02324	2.1
119.04929	1.0
121.06466	1.6
125.02357	2.8
125.03105	0.5
125.05972	2.5
133.06458	1.2
135.08102	0.6
137.05980	3.6
139.00206	0.6
139.07553	2.0
145.02821	0.8
147.04457	1.0
149.06056	0.7
151.07526	0.8
155.07043	100.0
156.07361	4.8
161.05988	1.6
165.05455	1.8
169.01324	2.4
170.77930	0.6
173.06046	1.1
179.07050	1.3
180.61574	0.5
197.08113	2.4
209.08128	1.5
227.09308	1.0
276.66989	0.5
300.99869	1.6
311.01852	0.8
338.68954	0.6
411.03473	0.6
455.10440	4.2
455.16165	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02422	0.6
55.01754	2.3
55.36964	0.6
57.03314	1.1
59.01255	9.7
61.98709	7.6
62.77418	0.5
67.01776	1.2
69.03325	2.6
69.47073	1.6
69.47492	3.9
71.01250	4.4
71.43990	0.5
73.02826	1.4
79.05412	1.8
80.02534	3.2
81.03341	1.3
83.01269	0.7
83.04901	0.9
83.16207	0.6
85.02861	1.6
87.00730	0.8
89.02320	1.7
91.05413	20.7
92.05762	0.6
93.03343	10.3
95.01281	1.5
97.02835	1.3
99.00751	1.4
101.02341	2.4
107.01259	6.0
107.04915	14.0
108.02102	0.8
108.05238	0.8
109.02838	1.2
109.06480	100.0
110.06782	3.5
111.00775	0.7
111.08038	1.0
113.02324	1.5
119.03431	1.1
119.04945	1.0
121.02869	1.3
123.00784	1.9
123.04423	0.8
125.02345	13.9
133.06509	0.8
135.04373	0.9
137.02368	1.3
137.06075	0.6
145.02847	1.1
147.04391	1.2
151.00281	1.5
153.01917	1.2
153.05478	1.9
155.07057	6.1
159.04501	1.0
161.02359	0.7
161.05956	0.7
163.00304	4.4
163.03954	1.3
164.00946	0.8
166.99855	0.7
169.01347	17.2
170.01895	0.9
175.03946	1.6
177.01833	1.0
185.00800	1.0
189.01929	0.7
191.03508	1.0
195.06586	2.7
201.01997	1.1
217.01453	1.3
218.02286	0.8
219.02966	0.9
227.03223	0.6
229.01439	1.3
243.02817	0.7
245.01035	0.8
247.02495	1.8
273.00513	1.3
274.00974	0.8
300.02576	0.8
300.99915	9.4
301.03488	3.3
302.00473	0.8
302.03928	0.7
343.00827	0.8
453.04306	3.8
453.17819	0.8
453.54288	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02422	0.6
55.01754	2.3
55.36964	0.6
57.03314	1.1
59.01255	9.7
61.98709	7.6
62.77418	0.5
67.01776	1.2
69.03325	2.6
69.47073	1.6
69.47492	3.9
71.01250	4.4
71.43990	0.5
73.02826	1.4
79.05412	1.8
80.02534	3.2
81.03341	1.3
83.01269	0.7
83.04901	0.9
83.16207	0.6
85.02861	1.6
87.00730	0.8
89.02320	1.7
91.05413	20.7
92.05762	0.6
93.03343	10.3
95.01281	1.5
97.02835	1.3
99.00751	1.4
101.02341	2.4
107.01259	6.0
107.04915	14.0
108.02102	0.8
108.05238	0.8
109.02838	1.2
109.06480	100.0
110.06782	3.5
111.00775	0.7
111.08038	1.0
113.02324	1.5
119.03431	1.1
119.04945	1.0
121.02869	1.3
123.00784	1.9
123.04423	0.8
125.02345	13.9
133.06509	0.8
135.04373	0.9
137.02368	1.3
137.06075	0.6
145.02847	1.1
147.04391	1.2
151.00281	1.5
153.01917	1.2
153.05478	1.9
155.07057	6.1
159.04501	1.0
161.02359	0.7
161.05956	0.7
163.00304	4.4
163.03954	1.3
164.00946	0.8
166.99855	0.7
169.01347	17.2
170.01895	0.9
175.03946	1.6
177.01833	1.0
185.00800	1.0
189.01929	0.7
191.03508	1.0
195.06586	2.7
201.01997	1.1
217.01453	1.3
218.02286	0.8
219.02966	0.9
227.03223	0.6
229.01439	1.3
243.02817	0.7
245.01035	0.8
247.02495	1.8
273.00513	1.3
274.00974	0.8
300.02576	0.8
300.99915	9.4
301.03488	3.3
302.00473	0.8
302.03928	0.7
343.00827	0.8
453.04306	3.8
453.17819	0.8
453.54288	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48523	0.7
54.81202	0.8
56.78296	0.6
59.01240	2.0
69.03329	1.6
71.01248	3.1
71.01579	1.5
73.02819	1.3
74.48460	0.7
81.03330	2.0
85.02824	3.6
87.00774	0.8
89.02367	0.7
93.03357	1.2
95.01265	3.0
99.00786	1.1
101.02338	1.1
107.01257	1.5
108.02055	100.0
109.02857	41.8
109.03614	1.6
110.03142	1.1
113.02334	1.4
121.02844	1.3
123.00750	3.7
123.04389	1.4
125.02358	5.9
126.02637	0.8
135.00807	1.1
135.04420	1.4
137.02371	0.8
138.01860	1.1
151.00305	0.9
151.03889	1.5
152.01060	75.9
153.01859	26.4
153.05435	0.9
154.02165	1.9
155.07040	4.7
161.02396	1.8
163.03926	1.5
165.01842	2.6
165.05495	1.2
169.01340	7.3
170.01692	1.9
217.01381	1.0
225.04060	0.9
233.79671	0.9
247.02429	0.9
265.13943	0.8
273.23624	0.7
291.12482	0.7
300.99832	2.1
313.05771	0.7
314.06036	1.6
315.07187	2.5
453.13998	92.8
454.14340	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	453.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75790	0.3
56.95651	0.3
59.54772	0.4
71.01244	0.6
78.95779	100.0
87.00753	0.7
89.02357	0.4
96.95903	0.6
96.96793	0.4
110.98418	95.9
112.98737	0.4
113.02357	0.4
128.70753	0.4
129.01799	0.4
134.36787	0.4
191.05695	0.7
308.13339	0.4
341.10977	0.9
353.01486	0.4
362.94885	0.4
453.10550	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	2.0
59.01256	3.2
59.46773	1.3
65.00200	1.6
67.01768	3.1
69.03346	2.9
71.01273	5.4
71.09187	3.1
79.01775	1.6
83.01283	2.7
85.02859	4.0
95.01247	6.6
97.02863	3.5
101.02359	2.3
107.01273	24.0
108.96495	1.3
109.02860	3.4
111.00764	7.6
113.02363	3.7
117.03297	1.9
123.00787	27.0
123.01640	1.5
124.01566	27.1
125.02345	90.3
126.02718	4.6
127.00305	2.9
133.02812	1.9
137.02376	2.1
138.03194	2.6
139.00278	13.0
139.03905	9.0
140.01089	5.4
141.01866	3.0
145.02919	2.7
147.04485	2.2
151.00253	9.3
151.03941	1.8
153.01897	1.6
159.04434	1.7
161.02402	5.2
163.00339	4.3
163.03984	3.4
165.99203	1.4
166.99828	5.8
168.00522	9.4
169.01346	100.0
170.01767	4.8
173.02383	2.8
175.04002	2.5
177.01909	3.0
182.99400	1.8
183.02991	6.1
189.01947	3.2
190.02658	2.3
191.03459	4.9
194.18707	1.3
198.61089	1.5
201.01903	3.6
202.99879	1.5
203.03545	5.7
205.01534	1.8
216.00531	2.1
217.01527	6.3
219.03101	3.9
229.01604	4.7
230.01904	2.1
233.00879	2.5
244.00212	4.3
245.00841	7.4
246.01630	2.2
247.02458	19.8
248.02888	2.7
249.04021	3.1
257.01126	3.1
261.00385	3.0
271.99704	1.6
273.00372	13.6
274.01016	2.4
275.01981	7.9
285.06509	3.4
290.00650	12.3
291.01532	6.1
299.99228	3.9
300.99905	41.1
302.00375	6.1
313.05722	10.9
321.65845	1.7
327.07544	4.0
421.26294	1.7
435.05719	1.8
453.10739	89.4
454.10873	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	453.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
70.27742	2.4
70.28138	2.0
78.95779	17.9
104.87178	1.1
106.04123	1.1
107.01263	2.5
110.98424	13.0
117.03387	0.8
125.02333	4.5
147.04366	1.5
161.02342	1.0
163.03960	1.9
169.01340	6.2
173.02330	3.0
175.03851	1.1
181.11684	0.8
189.01833	4.0
190.02655	20.7
191.03467	10.0
203.03439	2.0
217.01376	19.4
218.02177	18.5
219.02943	4.2
246.01675	53.2
247.02444	100.0
248.02788	6.2
273.00452	2.5
275.02048	1.0
288.43439	0.9
290.00589	1.5
301.00037	3.0
344.28943	1.1
350.68604	0.8
409.07776	68.9
410.07965	6.4
453.06653	28.1
454.07108	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.69464	0.4
69.55874	0.7
69.56287	3.1
76.75006	0.4
93.32401	0.4
93.51284	0.4
97.56636	0.4
97.61925	0.4
98.20546	0.6
103.65060	0.5
107.01294	0.9
125.02330	2.4
145.02940	0.4
147.04404	1.1
150.32761	0.4
163.03957	0.6
169.01343	4.4
170.01633	0.5
173.02376	1.4
175.03940	0.6
183.05760	0.5
189.01848	1.0
190.02652	4.9
191.03394	4.8
203.03471	0.5
216.57356	0.5
217.01376	5.8
218.02162	5.0
219.02939	2.6
229.01157	0.7
245.00902	0.8
246.01692	16.8
247.02457	100.0
248.02840	6.4
273.00455	0.9
300.99847	2.2
409.07770	15.3
410.08075	1.5
453.06686	18.0
454.07077	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
70.90179	0.6
70.90534	0.6
85.16876	0.3
95.01292	0.4
98.20554	0.3
106.04128	1.4
107.01261	1.9
119.04883	0.4
121.02863	0.5
122.03558	0.3
123.00772	0.5
124.64895	0.3
125.02341	3.6
133.02898	0.5
135.04379	0.3
139.00243	0.5
145.02884	0.7
146.03668	0.6
147.04437	1.8
149.02328	0.4
159.04384	0.5
160.31528	0.3
161.02354	1.1
162.03166	0.4
163.00293	0.3
163.03876	1.2
168.00531	0.3
169.01346	5.6
170.01683	0.3
173.02365	2.1
174.03117	0.8
175.00294	0.4
175.03925	3.7
182.79965	0.3
189.01872	3.0
190.02644	16.1
191.03423	6.8
194.14436	0.3
197.87297	0.3
202.02556	0.5
203.03456	3.2
204.00652	0.4
205.01375	0.6
217.01381	15.8
218.02142	17.0
218.27605	0.3
219.02867	4.0
221.04561	0.5
229.01331	0.5
245.00909	1.6
246.01672	59.6
247.02443	100.0
248.02786	5.6
273.00476	1.7
278.00568	0.6
280.81558	0.3
290.00531	0.4
291.01492	1.7
300.99933	2.8
302.00165	0.5
409.07758	78.8
410.08118	7.3
435.05719	0.4
453.06696	32.3
453.90561	0.3
454.06970	2.9
470.31149	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	2.1
61.98716	0.4
63.09193	0.3
67.01775	0.5
69.03339	0.9
70.71916	0.3
71.01257	3.0
73.02819	0.4
78.95776	0.5
83.01272	0.6
85.02833	0.9
87.00763	0.4
95.01281	1.4
97.02830	0.6
101.02332	1.1
106.35001	0.4
107.01260	5.8
108.02058	14.4
109.90298	0.3
111.00739	0.7
113.02330	1.3
123.00774	7.3
124.01585	1.0
125.02339	35.1
126.02671	1.3
136.98653	0.5
137.02359	0.8
138.01872	100.0
139.00288	1.6
139.02213	3.6
140.01056	1.3
141.01849	0.7
151.00275	4.4
152.92667	0.4
153.01900	0.4
156.56015	0.4
161.02345	0.7
166.99792	0.6
168.00569	2.0
169.01346	46.5
170.01714	2.1
179.03394	0.4
187.00328	0.6
191.03445	0.6
193.01294	0.6
203.12901	0.6
204.13127	0.5
211.02412	2.2
216.00557	0.4
217.01227	0.5
230.40559	0.5
241.03532	1.2
247.02412	0.5
253.03464	0.5
271.04709	1.1
273.00275	0.7
300.99899	1.4
312.04910	0.4
313.05652	71.4
314.05984	5.1
436.89880	0.3
452.08301	25.4
453.08759	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2782
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
62.96278	0.3
68.40649	0.2
68.96001	0.2
70.88474	0.2
71.05025	0.3
78.95777	26.9
96.96849	0.8
100.77550	0.2
113.44648	0.2
122.00002	1.2
129.89961	0.2
134.98430	0.2
140.01088	5.1
152.99504	3.4
171.00563	2.1
196.03729	10.2
197.04102	0.3
214.04784	1.9
227.13200	0.2
229.10988	0.2
239.69023	0.2
255.23271	100.0
256.23621	9.5
452.27802	23.4
453.28125	3.5
456.14880	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.0
59.01247	5.0
61.98706	1.0
65.00182	1.0
68.99689	0.8
69.03324	2.0
69.43055	7.2
71.01255	9.6
72.99165	1.0
73.02803	1.2
75.00745	1.0
77.06228	0.8
79.01759	1.3
81.03323	1.2
83.01261	1.9
85.02811	3.2
87.00740	1.0
89.02304	1.7
93.03333	1.2
94.86337	0.7
95.01260	5.8
97.02819	2.6
98.20621	1.3
101.02312	2.6
107.01279	14.7
108.02058	71.9
109.02159	1.5
109.02848	26.0
111.00758	1.8
113.02320	3.0
117.03372	0.9
121.02837	1.9
122.03702	0.8
122.99905	1.3
123.00777	14.7
123.04382	1.0
124.01517	0.8
125.02339	76.7
126.02660	2.9
131.03413	0.8
133.02802	2.3
135.00848	1.3
136.98761	1.5
138.01874	34.4
139.00269	3.4
139.02191	0.7
140.01025	3.0
140.46155	0.8
141.01820	2.3
145.02838	1.9
149.02408	1.0
151.00294	7.2
151.03888	1.4
152.01065	44.0
153.01831	17.4
155.07057	2.2
161.02315	2.7
163.00269	1.0
163.03894	2.5
165.01965	1.4
166.99745	3.2
168.00603	3.6
169.01340	100.0
170.01663	4.3
173.02487	1.0
175.03926	1.8
187.00291	0.9
189.01822	1.2
191.03363	1.6
207.02859	1.2
211.02367	2.0
214.99814	1.8
217.01338	2.0
218.02139	1.2
229.01384	1.3
241.03487	3.2
245.00876	1.6
247.02475	3.2
257.00873	0.9
271.04749	0.9
273.00357	3.0
275.01877	1.0
299.98825	1.0
300.99957	7.4
301.03201	1.3
302.00244	0.9
312.53595	1.1
313.05658	79.4
314.06033	6.7
315.07028	1.9
382.71558	0.8
428.57401	1.0
452.00409	2.0
452.08246	44.1
453.08606	4.5
453.14014	60.2
455.92838	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.98700	0.9
62.96291	1.0
63.15157	0.9
71.56808	1.6
71.57256	1.4
78.91299	0.9
78.95780	2.7
80.97334	0.9
81.03342	3.3
83.04889	13.3
96.95905	1.9
103.70164	1.0
107.01244	1.2
113.02371	1.4
119.10177	0.9
125.02324	2.0
134.14972	0.9
158.90581	0.9
162.34537	0.9
169.01312	3.2
282.57013	1.1
315.23306	3.3
389.26968	2.1
391.29651	33.3
392.29996	4.1
408.40195	1.3
450.99139	6.6
451.15540	3.6
451.27286	6.3
451.99185	1.2
452.27310	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	451.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	8.5
57.03323	6.5
58.00469	1.8
59.01253	45.5
61.98704	1.5
63.66807	1.0
68.67676	1.0
69.03307	2.0
69.32323	11.7
71.01256	73.4
72.01591	1.5
72.99194	5.5
73.02823	38.0
75.00750	2.9
77.60056	1.1
83.01256	16.8
83.04911	1.7
85.02827	41.6
85.99980	3.2
87.00751	5.1
87.04381	2.3
89.02315	16.9
95.01261	4.8
96.95920	1.7
97.02815	4.2
99.00165	1.5
99.00764	18.9
99.64548	1.1
101.02328	81.0
109.06500	1.3
111.00761	2.4
113.02338	23.2
115.03880	3.0
119.51314	1.5
121.01482	1.2
123.00716	1.3
125.02349	9.8
129.01822	1.6
131.03430	6.2
137.02347	2.1
139.11166	1.4
143.03413	3.3
149.04474	2.8
151.03879	3.2
157.84715	1.1
159.02966	5.3
161.02406	1.4
161.04475	27.1
169.01398	1.8
179.03435	1.9
191.05531	1.7
227.16534	1.1
233.06599	3.7
261.10968	1.2
279.12265	5.6
319.21262	100.0
320.21576	7.0
363.19977	1.7
389.27032	2.1
395.00055	1.7
399.74396	1.2
413.17944	1.2
433.26132	2.5
450.99551	7.5
451.25546	85.7
451.99478	2.8
452.26117	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	451.1249
Annotation	6'-O-Galloylsalidroside
Peak:m/z	Relative Intensity
53.65953	0.7
59.01253	45.6
60.01591	5.1
61.01689	2.5
61.98700	1.5
65.00191	1.1
67.01762	2.5
68.94727	0.7
69.03344	1.5
71.01252	9.3
72.01583	1.4
73.02825	1.5
79.01762	1.3
81.03333	1.5
83.01268	1.9
85.02833	3.9
87.00743	1.4
89.02318	5.7
93.03349	6.0
95.01269	5.9
97.02811	1.6
99.00766	1.5
101.02342	5.3
107.01270	8.6
108.02061	9.1
109.02852	15.1
111.00766	4.2
113.02341	3.6
119.03407	1.6
119.04902	3.7
121.02790	0.8
122.97047	0.7
123.00771	28.0
124.01579	1.7
125.02335	35.7
127.00298	1.8
131.01352	0.9
133.02805	0.8
136.98709	3.0
137.02368	7.3
137.05992	1.2
139.00276	6.8
140.01088	6.1
141.01855	4.6
145.02817	1.1
149.02361	0.9
151.00284	12.9
152.01065	13.2
153.01851	14.5
154.02222	1.2
161.02345	1.5
161.04482	2.9
162.04816	1.0
163.00273	0.9
163.03903	0.9
165.01915	0.9
166.99805	1.1
168.00577	6.3
169.01349	42.3
170.01712	1.3
173.02342	1.8
177.01825	1.5
179.03452	0.9
181.42465	0.8
187.00304	2.4
189.01880	2.5
190.02692	1.2
191.03397	1.8
193.01367	1.8
201.01852	1.4
203.03439	0.8
211.02425	4.6
214.99767	2.3
217.01237	1.8
218.02199	1.1
227.16493	1.3
228.00414	0.9
228.16913	0.8
229.01395	1.0
229.17090	0.9
229.64403	0.9
245.00943	5.7
247.02269	0.9
249.03665	0.9
257.00858	1.6
261.00549	1.2
266.06525	0.8
270.98886	1.1
271.04562	3.6
271.99496	1.0
273.00388	11.4
274.01248	5.8
275.01990	4.7
288.02682	6.0
289.00415	0.9
289.03479	4.5
297.06161	3.0
299.99091	1.3
300.99887	9.6
313.05643	6.2
315.07291	1.9
390.22351	1.3
391.22745	1.5
407.05365	1.6
407.10358	5.5
421.78506	0.9
440.51428	0.8
451.13113	100.0
452.13654	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	451.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.6
59.01252	7.8
65.00187	0.8
65.07846	0.3
67.01760	0.9
69.03321	1.1
70.64494	0.3
71.01257	7.3
71.01652	0.4
72.99157	0.6
73.02813	1.3
75.00722	0.3
79.01759	1.0
81.03331	0.4
83.01263	1.2
85.02827	2.0
87.00751	0.8
89.02329	1.3
90.67343	0.3
93.03337	56.4
94.03657	1.9
95.01263	2.1
96.95918	0.3
96.99173	0.3
97.02833	1.2
99.00758	0.5
101.02334	3.0
107.01274	10.2
107.04903	1.0
108.01536	0.4
109.02834	0.5
111.00745	1.6
113.02322	1.4
120.99575	0.8
121.02828	0.8
123.00766	11.5
124.01610	0.8
125.02338	52.8
126.02680	1.8
127.00275	0.7
133.02834	0.9
135.04404	1.0
137.02344	100.0
138.02690	4.3
139.00261	3.6
140.01064	2.5
141.01828	0.8
145.02847	0.5
147.00761	0.8
147.04443	0.4
151.00285	6.6
151.03853	0.6
153.01848	1.2
159.00732	0.4
161.02325	1.2
161.04433	0.9
163.00333	0.6
163.03983	0.7
165.01886	0.4
166.99777	1.1
168.00520	3.4
169.01340	73.2
170.01688	2.8
173.02339	0.7
175.69875	0.3
177.00491	0.4
177.01849	1.9
179.03427	0.7
181.01457	0.3
187.00262	1.5
189.01811	1.3
190.02763	0.5
191.03459	0.7
193.01328	2.3
201.01866	0.7
202.99777	0.6
203.03419	0.8
204.04012	0.5
211.02473	1.7
214.99792	2.1
216.00424	0.4
217.01292	1.4
219.02921	0.5
222.75385	0.3
229.01245	0.8
231.02890	0.6
241.03484	2.6
242.99429	0.5
244.00160	0.4
245.00749	1.2
247.02454	1.0
249.04005	0.5
253.03636	0.5
257.00949	0.9
258.98853	0.7
259.99713	0.4
261.00351	0.6
263.16193	0.4
271.04602	1.3
273.00418	1.7
274.00958	1.5
275.02060	2.5
286.98376	0.6
288.02484	0.5
299.07755	6.4
299.98862	0.4
300.08127	0.7
300.99841	7.1
312.56787	0.4
313.05649	76.1
314.06018	5.9
363.14777	0.4
407.09921	11.1
408.10132	1.3
433.04385	0.6
451.08807	36.7
452.09067	4.0
453.58377	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.9942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	4.0
65.00191	0.6
66.12095	0.3
69.26260	2.5
69.26686	1.6
71.01260	1.1
71.72013	0.4
73.84248	0.4
83.01291	0.4
85.02820	0.8
89.02313	0.9
95.01304	0.6
101.02330	0.7
111.00786	1.0
113.02381	0.5
123.00761	0.9
125.02337	1.5
131.56364	0.4
135.04434	0.4
136.98741	0.4
137.02364	0.8
151.00290	0.7
165.01820	0.8
167.04956	0.7
169.01303	1.3
172.91405	0.4
183.04442	0.6
191.05101	0.4
195.04378	1.9
197.06042	0.7
203.03419	0.4
207.04462	1.3
211.03975	0.9
213.05515	0.5
219.04585	0.5
221.02380	0.6
223.03978	2.5
227.03415	1.0
228.03877	0.6
233.02454	0.5
234.03232	0.5
235.04012	1.0
238.02705	0.5
239.03456	2.2
243.02963	0.6
249.01884	0.4
250.02612	0.5
251.03404	2.5
253.01299	0.4
255.02907	1.1
257.03488	0.5
262.02405	0.3
263.03448	1.1
265.01440	0.9
266.02063	0.7
267.02979	4.0
271.02368	0.8
272.02609	0.6
273.03293	0.9
277.10803	0.5
279.02982	2.4
282.01553	0.8
283.02527	1.3
286.03888	0.4
287.04367	0.5
288.02603	0.9
289.02789	0.7
291.87973	0.4
293.00992	0.7
294.01468	0.6
295.02475	3.2
298.98514	0.5
300.02365	0.9
301.02966	0.8
305.00949	0.6
306.01636	0.6
307.02499	1.4
309.00247	0.6
310.01105	0.5
311.02072	2.4
316.02231	1.2
317.02600	2.4
318.02914	3.2
319.03491	1.1
321.00266	2.2
322.01044	1.3
323.01965	5.5
324.02161	0.5
324.99841	0.9
333.00500	1.0
334.00943	0.5
335.01971	4.8
336.02478	0.5
336.99939	0.9
338.00574	4.6
339.01425	6.0
348.99936	1.7
350.00629	1.6
351.01440	6.2
352.01627	0.7
352.99265	0.9
360.99954	1.2
363.01535	2.8
363.14697	0.8
365.99957	2.5
367.00961	8.6
368.01401	0.6
376.99365	2.8
379.01053	6.7
388.99463	0.5
395.00415	7.4
396.00604	0.4
404.98773	3.0
405.99442	0.8
407.00476	3.4
422.99945	4.3
432.98370	9.5
433.98883	1.0
450.08224	1.2
450.99429	100.0
451.07495	4.1
451.99759	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2757
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
52.94543	0.3
55.01763	1.8
57.03306	1.0
58.00464	0.8
59.01255	12.2
68.99671	0.3
69.03337	0.4
71.01256	10.6
72.99184	0.8
73.02823	3.8
83.01262	3.1
85.02824	5.7
85.99962	0.5
86.03139	0.3
86.93526	0.2
87.00751	1.7
89.02329	3.4
93.07236	0.3
95.01252	1.0
97.02827	0.4
99.00782	1.7
101.02321	7.8
111.00766	0.8
112.01534	0.3
113.02354	3.2
113.09624	0.7
119.03397	0.8
124.01586	0.3
125.02328	0.9
125.09663	0.3
127.11169	1.2
138.93321	0.2
141.12737	0.4
143.03467	0.4
143.10678	0.4
159.02899	0.4
178.99783	0.3
203.88164	0.3
239.20070	0.4
241.21718	0.7
269.21210	3.6
270.21558	0.4
285.20731	0.9
287.22287	42.8
288.22592	3.7
299.22168	0.5
301.23621	0.4
329.23502	0.8
361.23486	0.3
368.85464	0.3
431.26553	2.0
449.27570	100.0
450.27924	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2908
Annotation	Lemnabourside
Peak:m/z	Relative Intensity
51.45536	0.4
57.03326	0.8
59.01253	19.0
69.03321	2.3
70.43613	0.7
70.44004	1.1
71.01268	2.1
78.95815	0.6
82.35645	0.4
87.04369	0.4
96.95924	0.5
109.06519	0.5
111.93253	0.5
113.02326	0.5
114.01231	0.5
130.74196	0.4
151.86388	0.4
181.50325	0.4
311.23920	1.0
315.26880	4.3
322.24878	0.4
327.26932	12.0
328.27271	1.3
343.25958	0.5
343.30072	9.3
344.30463	1.1
345.27960	0.7
359.25970	3.5
360.13232	0.5
360.26407	0.7
361.31107	8.0
362.31555	0.6
369.28021	0.9
387.29044	45.4
388.29346	5.5
405.30063	8.1
406.30862	0.7
431.27991	18.2
432.28299	2.3
449.29044	100.0
450.29449	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	449.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.9
57.03351	2.2
58.00471	5.7
58.70316	0.4
59.01253	100.0
59.86088	0.5
60.01581	1.0
61.98704	2.0
62.70206	0.4
66.08626	0.5
69.03324	2.4
71.01255	57.8
71.57876	0.6
72.01588	1.0
72.19167	0.4
72.99186	8.6
73.02820	38.5
73.29671	0.4
74.03129	0.6
75.00759	1.6
81.03329	1.0
83.01269	3.6
83.04920	0.6
85.02829	21.9
85.99953	2.3
87.00757	15.7
87.04397	5.0
89.02322	46.8
93.03336	1.5
95.01277	1.2
97.02813	2.3
99.00743	1.9
99.04401	1.6
101.02326	70.4
102.02671	1.0
103.03894	27.6
107.71809	0.5
111.00789	0.6
113.02332	10.6
115.03901	6.3
119.03397	17.3
119.04239	0.8
121.02831	0.8
124.30251	0.5
125.02331	5.5
127.03931	2.8
127.50938	0.5
131.02469	1.0
131.03403	14.4
133.04970	0.7
137.02310	1.6
143.03404	20.8
144.03720	0.7
145.04971	8.6
149.04424	0.6
151.03873	0.7
161.04477	2.3
163.00299	0.7
163.06041	51.9
164.06335	1.8
169.01402	0.4
173.02393	0.5
179.03581	0.7
179.05521	1.9
189.03813	0.7
205.07118	41.2
206.07416	2.1
215.20447	0.5
221.00629	0.7
227.07100	2.4
265.09146	1.6
281.37109	0.5
287.22321	1.5
317.19504	2.6
329.10312	0.5
356.08911	0.5
373.08795	0.6
449.10516	1.0
449.28271	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	449.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.4
57.03329	0.4
58.00473	0.7
59.01252	100.0
60.01581	0.6
60.46770	0.4
61.93676	0.4
64.00841	0.4
71.01255	15.3
72.99175	1.0
73.02821	1.2
75.00763	0.4
83.01274	1.1
85.02821	2.7
87.00762	1.3
89.02320	21.1
93.03337	0.8
95.01299	1.0
97.02248	0.4
99.00755	0.5
101.02325	9.2
105.17498	0.4
107.01276	0.4
109.68920	0.4
111.08049	0.5
113.02326	6.9
119.03389	9.7
120.03745	0.5
123.00786	0.5
125.02325	2.2
131.03482	1.0
133.02919	0.5
134.03653	1.0
135.04413	0.5
137.02357	1.3
139.00299	0.5
143.03403	2.5
143.07051	0.9
149.04539	0.8
151.00285	0.8
153.09111	2.6
155.10722	1.2
157.08603	1.1
161.04491	3.4
169.01335	3.2
177.01918	0.5
179.05539	7.4
185.08054	0.5
191.05583	1.3
209.15404	3.1
227.03496	0.8
227.16553	0.4
230.02103	0.6
230.04381	0.4
231.10303	1.0
256.03387	0.6
257.03632	0.5
275.09213	2.4
284.03250	0.7
285.03970	1.7
286.04083	1.5
287.04800	1.6
287.22159	0.6
297.06702	0.5
345.06354	0.8
389.21814	6.3
390.22232	0.7
412.93839	0.5
449.10461	1.5
449.20386	0.9
449.27844	0.6
450.10483	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95836	0.9
55.01754	1.5
57.03328	0.9
58.00465	0.9
59.01253	100.0
60.01587	1.2
66.07095	0.9
71.01256	31.9
72.99174	2.8
73.02828	5.7
75.00742	1.9
83.01264	4.8
85.02827	10.5
87.00740	1.6
88.08541	1.0
89.02316	19.5
95.01259	3.1
96.95902	1.1
99.00758	2.0
101.02322	22.0
107.01240	1.4
111.00743	2.3
113.02335	13.7
119.03389	9.4
123.00745	2.9
125.02309	6.1
129.01791	1.3
137.02374	1.8
139.00272	1.3
143.03391	2.4
155.07048	3.3
159.02873	2.8
161.02461	1.5
161.04463	12.6
165.01755	1.3
166.99803	2.0
168.00488	2.6
169.01353	5.3
177.01900	1.3
179.05475	2.3
180.79793	1.0
191.05540	3.0
202.06158	1.2
205.01259	1.1
214.99806	1.8
217.01424	1.3
218.97084	1.0
227.16443	3.3
231.10197	1.4
245.00920	1.5
261.00540	1.0
271.02390	1.1
273.00250	2.1
275.09198	2.8
300.99594	2.8
316.01773	1.3
389.21829	68.6
390.22153	8.5
449.06503	3.1
449.19183	3.9
450.10910	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1497
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01252	12.6
62.95957	1.2
62.96281	24.0
64.70760	0.8
70.14322	3.5
78.95780	62.7
80.47281	0.8
80.97343	36.8
85.02819	1.0
96.95872	0.9
98.20479	1.0
149.00002	18.1
179.01012	1.2
185.76253	0.7
191.09538	1.0
197.30997	0.9
205.15916	8.1
211.13269	1.8
242.98146	6.0
257.24329	0.9
351.00354	0.9
355.16788	16.6
356.17120	1.8
385.17868	23.6
386.18097	2.3
420.65482	1.1
447.04196	0.9
449.14975	100.0
449.28488	3.0
450.15381	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	449.1502
Annotation	Suvorexant
Peak:m/z	Relative Intensity
56.80433	0.5
57.93209	0.4
59.01254	7.1
62.96281	25.2
70.62992	1.3
71.01268	0.7
73.02850	0.4
73.03394	0.5
78.95776	62.5
79.14407	0.6
80.14974	0.5
80.97343	31.4
96.95879	1.2
96.96859	0.7
101.75546	0.5
111.18819	0.4
125.34317	0.6
149.00002	17.3
151.01567	0.6
179.01083	2.1
205.15913	8.1
242.98195	4.8
285.12534	2.5
311.11514	0.5
355.16779	18.3
356.17206	1.6
371.18796	1.1
385.17862	22.7
386.18240	2.1
419.13351	0.7
449.14896	100.0
449.28586	2.3
450.15302	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	449.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.0
57.05784	0.8
59.01252	84.6
60.01595	1.1
69.03340	1.1
69.56071	7.3
71.01258	6.7
73.02831	4.7
81.70596	0.9
83.01263	4.0
85.02837	2.6
87.00774	1.3
88.45938	1.0
89.02322	2.4
95.01255	1.7
99.04411	1.1
101.02334	4.5
109.02832	2.2
109.99951	1.1
113.02329	2.6
114.02779	1.0
114.12573	1.2
117.03419	1.3
123.00784	1.4
123.04462	0.9
124.01570	1.5
125.02338	3.6
133.02858	5.3
139.00270	2.3
145.02884	3.4
149.02322	2.0
151.00259	3.0
151.03937	1.2
152.01083	1.9
161.02347	4.0
161.04555	0.9
163.00316	2.1
165.99036	1.0
167.10680	1.4
168.00526	2.1
169.01291	3.4
170.01619	1.0
172.05177	0.9
173.02336	2.6
173.20206	0.9
175.03905	1.6
175.07423	0.8
177.01880	1.1
178.99821	2.7
181.01361	1.1
187.03983	1.8
187.07570	5.6
189.01895	10.2
191.05528	9.1
199.03979	1.4
200.04710	0.9
201.01852	1.9
201.05637	1.5
202.06252	2.0
203.03381	1.3
207.13864	5.0
209.11754	6.0
213.09137	1.6
215.03676	1.1
215.07076	2.5
216.00632	5.5
217.01393	14.8
218.01732	1.5
225.14902	8.6
227.03456	2.0
227.12842	39.0
228.13266	2.5
229.01231	1.2
231.03021	1.0
231.10228	3.2
243.03004	2.5
244.00117	9.6
245.00877	24.9
246.01370	3.2
247.02368	1.1
251.12892	2.1
255.02850	1.5
257.08167	2.1
259.02286	1.0
269.13962	12.8
270.01718	1.3
271.02502	8.1
271.99438	1.5
272.03061	1.7
273.00412	96.2
274.00748	7.7
275.09250	4.5
287.01987	3.6
287.15021	100.0
288.02600	2.2
288.15366	7.7
290.00742	1.6
291.01349	1.2
299.01907	5.4
301.03525	2.6
308.83707	0.9
311.15128	1.6
316.02225	13.0
317.03006	9.7
329.16058	5.4
359.17151	2.0
389.17987	7.4
405.11588	2.0
413.14438	1.3
449.06647	15.5
449.19995	6.5
450.07373	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	11.7
69.94556	12.4
71.01240	7.5
76.32037	2.3
86.12260	2.4
89.02297	5.7
95.01254	3.7
96.95876	8.1
101.02335	2.6
107.01273	4.1
123.00759	16.0
125.02359	25.4
136.78534	2.6
139.00267	4.2
140.01047	4.1
141.01848	3.2
151.00304	13.9
168.00528	5.5
169.01370	34.0
178.93881	2.3
211.02422	8.2
271.04550	15.6
288.68646	2.6
325.73291	2.5
350.88196	2.4
449.13022	100.0
450.13513	9.9
455.93518	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	449.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43062	0.3
55.01748	0.4
57.03319	0.3
59.01252	100.0
60.01599	1.2
61.98719	2.0
67.01770	0.3
69.03339	0.3
71.01256	7.4
72.99194	0.6
73.02830	1.1
83.01270	0.9
85.02823	2.2
87.00751	0.7
89.02322	5.8
90.02634	0.3
91.02760	0.3
93.03355	0.5
93.06999	0.4
95.01288	1.3
95.23563	0.3
97.02836	0.5
99.00788	0.7
101.02331	4.4
107.01278	1.6
109.06526	0.3
111.00780	0.9
113.02338	2.8
115.12693	0.3
117.03349	0.5
119.03410	1.3
123.00767	1.9
125.02334	8.4
126.02690	0.4
127.00364	0.3
131.03456	0.3
134.03642	0.7
135.04419	25.8
136.04756	0.8
136.98724	0.3
137.02425	0.3
139.00316	1.0
139.07574	1.1
140.01044	0.4
143.03448	0.6
149.05974	0.4
151.00275	0.8
154.72264	0.4
155.07039	2.6
161.04489	3.5
161.06007	0.9
166.99922	0.4
168.00540	0.6
169.01335	10.1
171.06635	0.3
177.01877	0.4
179.05551	0.7
187.00381	0.3
191.03468	0.3
197.08177	1.0
214.99791	0.6
227.16498	0.7
237.85651	0.3
242.99348	0.4
245.00713	0.3
261.00562	0.3
280.19751	0.3
285.97537	0.5
286.98428	0.9
297.09784	1.2
300.99860	0.5
313.05679	7.6
314.05881	0.6
318.72330	0.3
370.71585	0.3
389.21814	2.4
403.23724	0.3
449.03928	0.9
449.10974	10.6
449.16797	4.9
450.11212	1.3
450.16858	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56727	2.9
58.00486	3.9
59.00954	4.7
59.01251	90.6
59.01536	6.7
61.95493	3.0
61.98705	6.7
65.00202	4.1
67.76560	3.6
71.01268	27.0
72.99187	3.3
73.02827	8.2
74.99002	3.0
83.01254	7.3
85.02831	12.5
89.02335	14.6
92.66599	3.1
93.03365	3.7
95.01262	4.2
99.00779	3.5
101.02332	21.5
102.97411	3.0
103.16280	3.0
103.57158	3.1
109.02836	16.3
112.33672	3.4
113.02325	14.3
117.03338	3.2
119.03345	4.7
123.00761	7.3
123.88728	3.3
124.01595	6.1
125.02349	22.0
131.03365	4.5
133.02878	4.1
133.06491	3.7
136.01579	3.7
137.02357	35.8
145.02844	7.5
151.00269	9.6
161.02379	7.4
161.04492	12.3
163.00269	49.1
163.03949	4.3
164.01057	9.8
165.01854	36.6
169.01329	8.0
177.01837	6.4
178.99800	27.6
181.01367	3.8
189.01917	4.2
190.02666	10.0
192.00569	4.9
193.98405	4.1
198.03175	5.6
199.03925	4.5
201.01900	8.3
202.99744	4.8
205.01355	4.8
206.99307	15.0
208.00081	21.0
209.00868	42.9
212.04802	3.8
213.14909	8.6
214.02560	6.3
217.01425	10.2
218.99323	4.4
223.99533	3.8
225.09225	3.8
226.02574	3.8
227.03453	11.3
227.07025	7.2
229.01440	3.9
233.00842	3.9
240.04257	6.3
241.05106	7.2
241.08694	7.9
242.02156	12.3
243.02979	25.3
245.00887	11.4
246.98856	9.4
248.03014	3.9
249.04027	6.6
253.08745	4.2
255.06590	16.8
256.03738	4.3
261.00394	5.9
269.01007	4.1
269.08200	15.5
270.98819	5.7
284.03409	6.2
285.04147	3.6
285.07718	8.3
286.08267	4.1
287.09418	4.8
297.07709	26.6
298.08209	4.6
299.05676	5.6
301.03564	4.4
301.10919	10.2
303.12195	4.7
313.07126	21.4
314.07635	5.0
317.10361	4.7
317.19693	15.5
329.10315	40.1
330.10501	5.1
341.06567	52.7
345.09836	10.7
373.09293	94.3
374.09616	10.5
405.11877	100.0
406.12296	10.5
417.08252	8.1
431.10037	4.8
449.10999	56.7
449.27783	14.2
450.11380	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	449.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	2.0
59.01253	56.7
60.01582	1.0
61.98693	2.0
62.17197	0.8
65.03861	0.9
69.03331	2.5
71.01255	12.5
71.56898	1.3
72.99178	1.6
73.02826	2.8
75.89095	0.9
83.01287	2.1
85.02831	2.6
87.00727	1.6
89.02326	19.4
90.02691	0.8
93.03333	1.0
93.06956	1.7
95.01284	1.1
97.02817	1.0
99.00768	1.2
101.02319	6.7
102.19720	0.9
106.84043	0.8
107.01279	5.7
107.04890	1.3
107.85145	0.9
109.02820	1.1
109.06428	1.0
111.00783	1.3
111.08070	1.1
113.02328	4.6
115.05444	1.2
117.03365	1.8
119.03396	2.1
119.05016	0.7
121.02848	0.9
121.06506	2.2
123.00766	4.9
125.02338	29.3
127.00234	0.9
133.06502	1.7
134.03609	2.6
135.04417	100.0
135.15334	0.8
136.04797	4.1
137.02335	1.0
139.00334	1.5
139.07544	5.6
140.01057	1.5
149.05936	1.6
151.00278	4.1
151.07500	1.5
155.07036	14.5
161.04491	2.7
161.06000	5.4
168.00607	1.7
169.01337	36.3
170.01694	1.9
173.04547	1.4
179.05504	1.3
179.06990	1.5
191.05525	1.8
197.08095	6.6
205.01410	0.9
211.02391	1.1
214.64330	0.9
242.99406	1.0
263.30164	0.9
285.97626	1.5
286.98288	2.8
297.09866	4.7
311.13535	1.0
313.05667	29.0
314.06012	1.2
389.21744	1.5
449.03873	2.4
449.10797	42.8
449.16660	36.0
450.11136	5.7
450.17081	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	449.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20722	0.8
55.81557	0.9
57.17775	0.7
59.01253	38.7
65.00192	3.1
65.20501	0.8
67.01743	1.1
68.99685	1.6
69.30066	5.7
69.30499	2.9
71.01247	3.1
72.99179	1.1
80.11843	0.9
83.01254	3.1
89.02329	2.0
95.01283	4.2
99.00748	1.6
101.02313	2.0
107.01272	4.1
108.02079	1.4
109.02848	5.6
109.99983	8.8
111.00775	8.1
113.02373	1.0
117.35403	0.8
123.00790	4.8
124.01560	5.3
125.02356	4.2
125.99451	1.1
127.00243	1.2
133.02882	1.1
135.00766	1.8
135.04390	0.8
136.74669	0.8
136.98688	3.1
137.02394	1.6
137.99469	3.0
139.00272	8.8
140.01042	3.4
141.01421	0.9
141.55714	0.8
146.03606	1.8
148.01530	1.9
149.02325	2.1
151.00285	13.1
152.01080	6.9
159.04420	1.9
161.02350	2.3
161.04468	1.8
163.00287	5.6
164.01062	5.7
165.99007	7.6
166.99750	3.6
168.00548	10.2
169.01013	9.2
170.01637	1.0
170.03595	1.1
171.04472	2.7
173.02364	1.4
174.03104	1.4
175.03911	2.8
176.00943	1.0
178.99797	13.7
180.00215	1.0
181.01302	1.2
183.04457	2.2
187.03874	4.5
189.01813	2.2
193.01270	1.4
196.03761	1.7
197.02359	1.2
197.04004	1.2
198.03032	2.1
199.03984	5.7
201.01868	1.5
202.02596	1.7
203.03435	3.7
205.01346	2.0
211.05984	1.0
213.01936	1.6
214.02641	3.7
215.03458	4.6
216.04065	2.7
217.01448	1.3
218.02100	1.6
219.02942	1.3
226.02640	1.7
227.03456	21.9
227.12814	1.2
228.03767	11.1
229.01674	1.7
229.03946	10.4
231.02940	5.4
232.03723	1.8
237.02048	0.8
241.01447	1.0
242.02226	6.6
243.02960	13.7
244.03636	2.7
245.00826	1.2
245.04451	1.8
254.02080	1.2
255.02943	20.4
255.05080	1.6
256.03299	15.3
256.05753	1.3
257.03448	18.9
258.04156	1.9
259.02423	6.0
260.03174	2.1
270.01630	8.0
271.02472	42.5
272.03128	10.6
272.07858	1.7
273.04019	8.0
284.03250	10.9
285.03647	10.8
285.09732	1.3
286.03864	22.9
286.10336	1.6
287.01892	21.6
287.04645	4.7
287.10373	2.3
287.14990	1.7
288.02667	12.7
289.03305	2.4
298.01215	1.6
298.06470	1.0
299.01956	35.7
299.99277	1.0
300.02271	4.3
301.03339	1.1
301.99612	1.9
313.05634	1.3
314.06482	0.9
315.01428	2.3
315.06747	1.4
316.02225	100.0
317.02927	43.3
318.03262	1.5
318.35190	0.9
336.26782	0.9
389.21851	1.2
392.98798	2.6
405.08130	1.5
431.06052	2.2
448.09668	2.2
449.06760	94.1
450.07254	12.7
465.13162	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32884	0.9
59.01249	25.9
59.07267	1.0
65.00180	3.9
67.17925	1.0
68.10815	0.8
69.51466	3.6
69.51895	4.1
71.01247	1.7
75.00744	1.1
80.22440	1.0
83.01263	3.2
85.02808	1.3
95.01249	4.3
97.02791	1.2
98.19690	1.1
101.02328	1.8
107.01236	2.9
109.02840	6.3
109.99966	5.3
111.00753	4.1
123.00763	4.2
124.01535	4.2
125.02314	3.3
136.01581	1.0
136.98665	3.1
137.02367	2.2
137.99477	1.7
139.00304	4.8
146.03616	1.2
148.01508	1.3
151.00293	9.3
152.01053	6.5
153.01778	2.4
159.04445	1.7
161.02396	2.4
163.00343	6.0
164.01050	4.0
165.01869	1.0
165.12794	1.3
165.99026	5.4
166.99779	5.1
169.01311	1.8
171.04428	2.8
173.02345	1.4
174.03084	1.6
175.03856	1.8
178.99777	11.3
181.01340	1.2
183.04410	1.4
187.03940	3.4
187.07542	1.4
189.01889	2.2
189.05467	1.0
191.03505	1.6
191.05499	2.8
198.03191	1.2
199.03897	4.0
201.01897	2.1
201.05507	1.2
202.06357	1.5
203.03406	3.1
206.99196	1.1
209.11803	1.6
213.01891	1.2
214.02591	2.9
215.03487	5.9
216.04036	1.9
226.02692	1.6
227.03415	6.8
227.12814	12.2
229.01433	1.2
230.02188	1.4
231.02946	3.2
232.03561	2.1
241.01355	1.7
242.02103	5.0
243.02956	9.0
245.04518	1.2
255.02924	3.4
259.02509	5.1
260.03128	2.0
269.13916	3.6
270.01709	6.4
271.02457	33.8
272.03137	8.1
273.03931	9.6
287.01965	21.5
287.14981	30.0
288.02551	8.5
288.15439	1.5
289.03146	1.7
298.01004	1.7
299.01950	25.0
300.02518	2.6
315.01529	1.9
316.02209	63.7
317.02997	46.1
318.03317	4.2
359.17035	1.1
431.06058	1.3
449.07208	100.0
450.07474	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	449.0363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33717	1.1
59.01257	22.0
59.59131	1.1
71.01006	1.8
73.96779	1.0
79.85664	1.1
89.02328	1.2
101.02313	1.9
125.02312	2.0
132.02048	6.6
135.04391	1.4
145.02876	2.7
147.00797	1.7
160.01607	11.2
161.02324	2.0
161.04404	1.5
166.40022	1.1
169.01363	2.7
172.01506	3.2
173.02344	2.0
176.01077	1.5
177.01843	1.2
185.02391	1.9
187.00325	1.2
188.01065	8.1
189.01820	4.6
200.01077	3.9
201.01799	3.1
212.80605	1.1
216.00600	28.0
217.01277	5.1
219.93045	1.0
219.95728	1.1
225.22960	1.3
228.00536	1.8
229.01393	2.5
230.99249	1.0
232.00052	1.7
242.99286	4.6
244.00102	31.7
245.00838	29.1
246.01204	1.9
259.99588	3.1
269.98209	1.6
270.98859	16.9
271.99612	100.0
273.00372	72.5
274.00800	6.7
283.99731	1.4
286.01111	3.5
287.02225	1.2
287.98831	2.9
288.99847	3.2
297.97549	5.5
298.98328	27.6
299.98996	9.0
300.99710	5.5
302.00330	1.4
314.97650	1.4
315.98593	34.3
316.99371	44.6
317.99634	3.3
366.94940	1.5
389.21817	1.8
405.04669	20.5
406.05063	4.0
421.03925	4.5
421.32742	1.3
431.02661	2.7
432.03458	1.9
449.03580	96.8
450.03900	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	448.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	7.3
63.02246	0.4
64.04118	0.4
65.00185	1.3
66.83591	0.4
68.28366	0.4
72.99172	0.4
75.00687	0.4
76.03846	0.3
78.61086	0.3
83.01244	1.0
87.00749	0.5
93.03317	0.8
95.01244	1.1
98.19725	0.5
107.01244	1.7
108.02053	0.5
109.02808	1.1
109.99961	1.5
111.00775	3.0
117.03352	0.4
121.04438	0.3
123.00758	1.7
124.01559	2.4
124.02310	0.4
125.02360	2.7
127.00241	1.0
133.02705	0.5
135.00766	0.6
136.98718	2.4
138.99364	0.4
139.00284	4.2
140.00206	0.4
140.01077	5.1
145.02855	0.4
149.02330	0.6
151.00301	4.2
152.00873	1.2
153.01831	0.9
154.99794	0.5
159.04411	0.7
161.02403	0.8
163.00276	1.3
164.01027	0.8
165.98955	0.8
166.99788	1.1
168.00560	22.7
169.01344	4.5
171.04396	0.7
174.03169	0.5
175.03612	0.6
178.99788	2.3
179.03423	0.5
181.01364	2.2
182.01636	1.2
183.04323	1.1
184.04738	1.3
185.05988	0.5
187.03899	1.7
189.01814	0.5
194.99377	0.4
196.03693	4.5
197.04053	2.6
197.05586	0.5
199.03958	0.6
200.04297	0.6
201.01926	0.7
203.03378	0.6
211.03900	1.4
211.06068	1.8
212.04265	1.1
212.06392	1.1
213.04974	0.4
214.02560	0.9
214.05905	0.4
215.03407	0.9
226.02477	0.4
227.03462	33.7
228.03799	48.0
229.03911	1.8
230.05316	1.4
231.02939	0.6
240.03947	0.8
242.02176	0.7
243.02957	2.2
244.03517	0.4
255.02936	35.9
255.05093	3.3
256.03302	63.9
256.05338	3.7
257.03821	8.1
258.04703	1.2
259.02405	0.9
260.03204	0.7
270.01654	1.3
270.04984	0.6
270.07452	3.3
271.02502	6.5
271.07748	2.4
272.03186	0.9
273.03860	1.0
284.03268	29.0
285.03644	61.6
285.09753	6.2
286.04309	19.4
286.09976	7.0
287.01941	5.3
287.04718	0.7
287.10553	0.6
288.02682	1.7
297.06094	1.0
298.01175	0.9
299.01965	5.6
314.06445	2.1
315.01401	7.1
316.02188	12.7
317.02960	4.3
328.05441	1.1
329.05258	2.0
337.00055	0.5
392.98846	0.5
402.12119	0.5
447.09412	3.1
448.09711	100.0
448.97916	0.6
449.06754	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	447.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	4.7
69.80116	7.5
101.80234	1.2
105.03307	3.7
132.02049	8.4
133.02864	20.2
134.03656	13.5
135.04446	6.1
137.02309	4.4
139.03851	1.9
147.34746	1.3
148.05220	3.3
150.03146	1.8
160.01582	49.1
161.02356	12.3
161.05940	4.3
175.03928	100.0
176.04208	6.0
178.02617	2.8
179.03305	2.1
193.05032	7.1
227.03612	1.7
239.99242	1.3
255.02917	2.2
271.02438	2.9
271.22803	12.7
275.12924	1.7
284.03217	1.6
294.79962	1.4
300.02615	2.8
301.03342	2.8
306.91141	1.4
327.71466	1.4
331.19095	2.0
345.20471	4.2
347.25549	3.0
385.30936	1.4
403.31784	1.8
415.24512	7.4
416.25375	1.3
447.09097	2.4
447.27280	64.5
448.27756	10.4
461.60416	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	447.3116
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
56.75206	0.4
57.03322	0.6
59.01250	4.2
71.01251	0.9
71.04889	0.6
78.95807	1.4
83.04903	0.8
85.06467	0.4
88.01817	0.4
95.38912	0.4
95.67076	0.4
96.61959	0.4
96.95889	0.5
97.06479	0.8
109.06489	2.0
116.86487	0.5
131.39906	0.4
142.66080	0.4
152.99512	1.6
162.50285	0.3
165.98730	0.4
192.23161	0.4
211.13373	2.6
227.03566	0.8
247.53880	0.4
255.03070	1.2
284.03406	1.2
285.04211	0.6
317.24933	0.5
331.26620	0.6
341.28601	0.7
357.28262	1.1
365.28934	0.6
367.26273	0.6
369.28055	1.9
383.26187	1.3
385.27499	4.6
385.31418	5.1
386.27893	0.9
403.32474	12.1
404.32748	1.6
411.29324	0.6
429.30276	6.1
430.30780	0.5
447.09970	1.5
447.31461	100.0
448.31915	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	447.2753
Annotation	Isolinaritriol triacetate
Peak:m/z	Relative Intensity
52.73902	0.5
53.82482	0.5
54.72363	0.5
54.97420	0.6
59.01254	22.9
62.78940	0.5
62.98794	0.5
70.79707	0.5
70.80018	1.0
71.01252	0.9
73.02839	0.5
88.98695	0.5
96.95894	0.6
97.02754	0.5
100.06000	0.5
105.01781	0.9
107.01221	0.5
113.02325	0.7
118.71792	0.6
121.02839	0.7
151.00262	2.2
163.00304	0.7
169.11996	0.4
178.99812	1.8
191.53667	0.6
211.13341	3.4
218.52083	0.6
227.03452	2.2
243.02873	1.3
255.02986	6.1
256.03351	0.8
271.02493	6.1
272.02887	1.5
283.02466	0.6
284.03250	3.1
285.04034	1.6
300.02740	11.5
301.03503	5.4
343.26382	2.0
359.25470	0.6
361.27606	0.8
387.25415	100.0
388.25793	13.7
403.28506	1.4
405.26547	6.4
406.26816	1.1
447.09464	3.0
447.26349	8.1
447.31772	4.9
448.27603	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	447.2603
Annotation	N-Acetyl-leu-leu-tyr-amide
Peak:m/z	Relative Intensity
54.65912	0.6
55.77711	0.6
57.03325	0.6
58.00466	2.2
58.64480	0.8
59.01255	100.0
60.01586	0.6
68.41415	0.6
69.46719	6.1
71.01257	24.1
72.99199	2.3
73.02837	1.8
73.61859	0.6
82.16865	0.6
83.01276	1.9
85.02837	4.4
89.02322	19.4
95.01273	1.2
95.50608	0.7
99.00750	0.9
101.02332	13.4
113.02338	8.0
119.03383	7.8
121.02847	1.8
122.03111	0.8
130.05577	0.6
131.88744	0.6
143.03387	1.0
161.04446	1.9
179.05484	1.0
211.13335	0.8
227.03517	2.3
255.02907	3.1
267.06339	0.6
267.19498	3.2
275.44476	0.7
284.03235	3.4
285.04013	1.6
301.03601	0.6
322.69980	0.6
359.10281	1.7
403.09622	0.9
429.24930	7.0
430.25314	1.2
447.09497	2.9
447.25989	92.1
448.26285	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	447.2751
Annotation	16-Feruloyloxypalmitate
Peak:m/z	Relative Intensity
59.01255	3.2
69.52637	4.4
78.95827	2.0
95.04914	0.7
98.20567	1.0
105.03333	4.5
117.03306	0.7
121.02863	0.6
132.02080	7.9
132.38492	0.6
133.02852	21.9
134.03651	14.0
135.04443	6.6
137.02328	3.8
139.03934	1.7
148.05223	3.6
149.06030	0.9
150.03162	0.7
152.99483	1.7
160.01576	47.0
161.02371	9.7
161.05974	4.0
162.03015	0.5
175.03929	100.0
176.04300	4.6
177.01903	1.2
178.02657	2.7
179.03456	2.8
193.05006	6.2
194.02069	1.1
225.22142	0.8
227.03493	0.5
233.08072	1.6
247.09703	1.6
255.02936	0.8
261.11176	1.8
271.20099	0.9
271.22797	11.0
272.23062	1.3
275.12775	0.8
279.23184	1.5
289.14386	1.5
303.15860	0.9
317.17389	2.2
331.19104	1.2
345.20737	3.4
347.25623	1.7
359.22113	0.7
378.14108	0.6
391.32233	0.7
392.93506	0.5
403.31830	1.3
415.24875	7.0
416.25134	0.8
429.29843	0.9
447.09338	1.2
447.27106	58.9
448.27414	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	447.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.6
70.32162	1.3
78.95779	7.0
83.04959	0.4
87.50237	0.3
88.67115	0.3
109.15952	0.3
110.98424	4.5
152.99573	0.5
167.01099	3.4
167.26283	0.3
185.02112	2.7
227.03604	0.4
255.02963	0.8
271.02466	1.0
279.23291	100.0
280.23633	10.8
300.02728	1.2
301.03555	1.3
313.25323	1.8
318.78842	0.3
329.28549	0.8
332.68240	0.3
333.55933	0.3
347.29520	0.8
366.29047	0.3
385.31149	0.5
403.31711	0.7
447.09564	0.9
447.25079	5.4
447.31168	13.0
448.25882	0.6
448.31467	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	447.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.1
56.59594	0.4
57.03320	1.6
58.00475	0.9
59.01252	36.5
71.01254	23.9
71.04890	0.8
72.99178	2.2
73.02828	4.0
75.00712	0.7
83.01277	2.4
84.02026	0.7
85.02823	6.2
87.00745	1.9
89.02317	16.0
95.01270	1.6
96.95878	0.6
97.02849	0.5
98.20633	1.0
99.00780	1.0
99.08033	0.7
101.02324	15.5
113.02332	8.7
113.67017	0.5
117.39478	0.4
119.03396	6.0
121.02862	1.4
125.02335	0.7
131.03294	0.5
135.06538	0.5
138.93271	0.5
143.03429	0.9
151.00182	0.5
159.02898	0.6
161.04497	3.1
161.05614	0.5
165.09116	0.4
167.10693	2.0
179.05576	2.1
181.15892	1.6
211.04192	0.5
211.13318	2.9
221.19077	1.3
227.03458	1.9
239.20187	3.2
255.02979	3.4
267.19669	1.2
269.21234	1.4
271.02606	0.7
278.03687	0.6
281.21310	0.6
284.03326	2.2
285.00488	0.5
285.03955	1.0
285.20709	36.5
286.21097	3.0
297.11926	2.1
298.98398	0.8
301.03494	1.1
327.21817	1.1
359.25891	0.7
382.85468	0.6
447.09735	3.5
447.25974	100.0
448.26294	12.9
452.87326	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
52.68151	0.4
55.01749	1.9
57.03320	1.2
58.00467	4.3
59.01253	87.5
60.01592	1.2
63.57512	0.4
64.76624	0.4
66.23926	0.3
69.03336	0.6
69.37952	3.5
71.01257	65.2
72.01601	0.8
72.09845	0.4
72.99187	3.8
73.02821	16.9
75.00751	0.5
83.01273	2.3
85.02824	8.9
87.00757	3.1
89.02322	100.0
90.02670	1.5
95.01262	2.6
97.02831	1.2
99.00762	22.4
99.04415	0.4
101.02328	39.9
102.02666	1.0
103.56418	0.4
103.79887	0.3
111.00755	0.5
113.02338	17.1
114.02673	0.4
115.03896	1.3
119.03403	17.6
120.03729	0.5
125.02324	3.9
131.03413	15.7
131.04398	0.8
141.46730	0.3
143.03391	3.3
149.04475	40.6
150.04802	1.3
161.04469	4.7
171.25423	0.5
179.05539	5.8
191.03746	0.6
191.05542	11.1
211.13368	1.0
221.06540	1.2
227.03311	0.5
233.06561	1.2
247.98955	0.4
248.99406	0.6
251.07736	2.2
255.02884	1.1
284.03183	0.6
293.08609	0.6
315.17981	1.4
327.08679	0.4
339.67996	0.4
371.07635	0.7
403.10443	2.7
416.73706	0.4
447.09079	0.6
447.22159	14.6
448.22571	1.7
449.80771	0.7
452.12161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01598	1.2
69.87476	1.6
69.87884	0.6
71.01257	9.3
72.99199	0.6
73.02821	1.0
78.26322	0.4
83.01259	0.5
84.85648	0.4
85.02833	2.3
87.00780	0.9
87.81259	0.4
89.02319	10.5
95.01316	0.9
99.00791	0.6
101.02321	5.5
107.01268	0.4
113.02337	4.5
116.99374	0.5
119.03403	4.9
123.00786	0.7
123.23952	0.4
125.02362	2.1
131.03381	0.7
143.03397	0.7
155.07051	0.7
161.04454	2.7
166.99846	0.5
169.01395	2.5
170.01653	0.4
179.05583	1.8
199.09694	1.0
245.00963	0.5
261.00635	0.6
273.00482	2.1
301.00095	0.9
387.20468	1.5
447.02472	0.5
447.14267	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.7
57.03313	0.6
59.01254	100.0
60.01582	0.9
69.03316	0.6
71.01257	13.5
72.99183	0.7
73.02816	2.8
83.01273	1.3
85.02823	4.1
89.02318	5.0
94.87189	0.5
99.00759	1.2
101.02322	9.1
111.00721	0.6
113.02309	5.0
119.03419	1.5
121.06522	1.0
125.02299	1.1
139.07552	0.8
143.03423	1.0
155.07022	1.0
159.02870	1.4
161.04468	10.6
161.05809	0.6
168.00594	2.0
169.01361	1.3
197.08160	0.8
203.03389	5.2
209.47951	0.6
211.21263	0.5
225.14899	0.8
226.95755	0.5
227.03358	4.6
229.04996	8.8
230.56163	0.9
243.03011	2.0
253.05193	0.6
255.02948	1.0
270.98917	1.4
271.09854	1.1
284.03326	3.8
285.03995	6.2
298.98123	0.6
299.09204	4.7
299.99396	0.8
314.00638	1.0
316.09637	0.7
327.08759	1.9
353.15039	0.6
387.20270	12.6
388.20737	1.8
403.10376	9.7
404.10944	1.3
447.09436	31.4
447.19049	2.4
448.09796	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	447.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	2.1
60.58648	0.6
61.68111	0.7
61.98706	2.1
69.45969	3.6
69.46378	1.8
71.01269	1.2
72.99189	5.0
75.00743	4.3
78.95776	1.1
87.00783	1.0
89.02303	1.2
96.95862	0.7
96.96808	0.8
105.01821	100.0
106.02174	0.7
122.68681	0.7
126.87173	0.6
143.28961	0.6
169.01331	0.7
185.08022	0.6
191.05707	0.6
199.03436	0.6
213.79202	0.6
219.76372	0.6
239.44133	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19186	0.5
55.01760	1.0
55.93578	0.5
57.03329	2.4
58.00479	0.9
59.01252	100.0
60.01592	0.8
69.70087	3.0
71.01256	20.4
71.04881	1.0
73.02817	4.4
83.01258	2.1
85.02831	6.4
87.00768	0.7
89.02316	11.2
95.01273	1.2
97.02845	0.7
99.00780	1.9
99.14523	0.5
101.02319	10.8
102.44818	0.4
107.01289	0.6
111.04376	0.5
113.02342	8.4
113.69108	0.4
119.03394	3.8
123.08062	0.5
124.64756	0.5
125.02340	1.7
131.03424	0.6
131.45081	0.5
137.09648	1.3
138.06766	7.2
143.03430	1.4
149.04504	0.5
152.03461	0.6
153.09125	19.5
154.09506	0.7
158.45424	0.5
159.02908	2.2
161.04469	15.8
169.01387	1.8
179.05559	2.2
182.84831	0.5
192.11374	0.5
207.13884	2.1
225.14915	39.3
226.15259	3.0
271.04752	0.9
302.04074	0.5
306.81339	0.4
363.57974	0.4
387.20239	16.9
388.20740	2.4
415.06970	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15329	0.2
59.01262	1.1
62.96274	1.4
69.93674	0.8
70.94605	0.2
71.01245	0.3
78.95776	40.6
80.24720	0.2
91.28446	0.2
96.95883	0.2
96.96844	2.5
149.00000	19.6
150.00368	0.4
151.01526	0.2
152.99515	0.4
158.92455	1.6
179.01080	2.7
181.49081	0.2
205.15959	1.6
211.13310	1.4
227.03459	0.5
240.96689	0.2
253.09132	0.3
255.03163	0.4
267.11353	0.4
284.03314	0.6
300.02756	0.2
347.08167	0.6
403.28525	0.7
417.12552	1.0
431.10220	2.8
432.10187	0.4
447.13428	100.0
448.13779	11.5
448.27158	0.3
449.46832	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07264	0.4
59.01255	9.6
59.33672	0.5
61.11501	0.5
61.35128	0.5
63.02259	1.1
65.00182	1.3
67.37157	0.5
69.21299	0.5
69.49646	2.6
69.50069	1.8
70.97266	0.5
71.01258	2.7
72.99159	0.9
73.02800	0.7
75.00749	18.6
83.01257	0.7
85.02815	0.6
87.88849	0.5
89.02301	0.9
99.49505	0.5
101.02312	1.4
107.01280	2.8
108.02033	2.2
109.02805	1.6
113.02263	0.5
119.03482	0.5
121.02833	1.6
121.35722	0.5
125.02347	1.0
135.00778	1.2
144.26213	0.5
147.00798	0.6
148.01524	2.0
149.02238	0.7
151.00267	8.6
161.04407	1.0
163.00266	3.0
164.01057	0.7
169.01343	0.8
174.03209	0.5
178.99762	3.8
183.04448	0.6
187.03952	0.6
198.03111	0.7
199.03932	1.3
201.01845	0.8
203.03474	0.8
211.03922	1.4
215.03409	0.8
216.04219	0.8
226.02744	4.1
227.03471	8.4
228.03969	0.9
229.05083	0.6
242.02188	0.6
243.02977	19.7
244.03383	1.3
245.04396	0.8
254.02251	4.3
255.02971	30.7
256.03503	2.6
257.04517	0.7
270.01547	0.7
271.02478	82.0
272.02896	6.8
273.00461	1.1
273.03461	0.8
283.02417	1.4
284.03232	5.3
285.04062	2.9
298.98389	1.5
299.01935	1.7
300.02737	100.0
301.03448	32.9
302.03751	3.0
313.00229	0.6
314.00891	1.1
314.04382	1.4
315.01535	0.8
387.20346	2.2
403.10153	0.9
447.09357	58.9
448.09744	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	447.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01333	2.7
56.01730	2.5
59.01244	28.2
67.01761	2.9
69.81770	20.7
71.01250	13.8
75.42657	2.9
77.04891	2.5
85.87628	3.4
89.02319	14.9
95.01289	3.7
101.02334	8.9
107.01270	5.5
111.00771	7.4
113.02341	4.9
119.01324	3.2
119.03391	8.2
123.00790	5.9
125.02357	35.1
136.98737	5.5
139.00279	8.8
140.01044	6.8
142.49475	2.8
151.00258	4.0
154.99725	3.1
166.99751	5.1
168.00543	18.4
169.01334	49.0
211.02409	74.1
211.04350	4.3
212.02750	5.9
239.03506	3.2
240.04320	3.1
255.02823	4.1
271.04581	74.3
272.04980	7.1
284.03271	24.9
285.03970	15.8
293.41299	2.9
295.10382	45.8
296.10538	3.0
331.06586	3.6
420.66699	3.3
447.11420	100.0
448.11862	11.9
462.20236	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	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72943	0.3
59.01237	0.6
65.00195	0.3
65.42381	0.3
67.14934	0.3
69.13715	0.3
69.57899	2.0
93.03351	0.4
107.01269	1.1
111.34174	0.3
125.02318	0.5
132.02032	0.4
135.00740	0.3
143.04886	0.3
151.00284	1.8
153.01938	0.5
159.04337	0.4
163.00285	0.6
164.01154	0.3
165.01807	0.3
169.01439	0.4
169.06441	0.4
171.04416	0.3
173.05981	0.4
175.03883	0.6
178.99792	0.6
183.04488	2.0
185.06049	0.6
187.03902	0.7
189.05392	0.5
199.03796	0.4
200.04599	0.3
211.03900	2.1
212.04631	0.3
213.05418	0.6
227.03452	80.6
228.03835	4.4
229.05032	2.4
239.03444	0.9
241.04984	0.5
255.02972	100.0
256.03558	12.6
257.04373	0.9
270.98972	0.4
283.02502	0.6
284.03259	71.8
285.03986	30.5
286.04388	1.7
298.98312	0.5
299.98935	1.4
315.01328	0.9
327.05063	1.3
447.09326	88.4
448.09677	9.5
448.15909	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	4.8
63.02254	0.7
63.62742	0.6
65.00171	1.5
69.37282	1.0
69.37686	4.6
70.68315	0.6
71.01229	1.0
83.01234	1.0
88.67058	0.6
91.58615	0.6
93.03295	0.7
101.02309	0.8
101.25542	0.6
107.01226	2.7
108.02029	1.9
109.02787	2.5
113.92737	0.6
117.03365	0.7
120.51339	0.6
121.02799	1.2
123.00700	1.1
125.02293	1.8
126.41341	0.5
128.52174	0.6
129.34804	0.5
133.02873	1.0
135.00809	0.9
145.02834	1.5
147.00804	0.7
148.01517	1.7
149.02336	0.7
151.00279	8.2
152.00546	0.6
163.00246	2.9
164.01067	1.3
169.01265	2.0
178.99741	2.4
183.04431	1.2
187.03885	1.3
198.03093	0.9
199.03880	1.6
201.05473	0.6
202.02516	0.8
211.03889	1.7
215.03447	1.6
216.04198	1.3
226.02669	3.4
227.03453	14.3
228.03848	0.8
229.01369	0.9
229.04907	1.1
239.03258	0.9
243.00450	0.9
243.02960	15.1
244.03369	1.4
245.04297	1.0
254.02309	4.2
255.02979	37.2
256.03476	4.8
257.04501	1.5
271.02475	66.8
272.02948	8.2
273.03561	1.2
283.02521	2.1
284.03268	14.2
285.04004	14.9
299.01913	1.8
300.02728	100.0
301.03406	27.4
302.03583	2.8
303.04211	0.8
314.00769	0.7
315.01337	1.1
403.09976	1.1
447.09360	64.1
448.09711	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	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01201	1.4
59.01482	0.5
65.00155	0.7
67.47558	0.4
75.50844	0.5
81.06110	0.4
93.03273	0.5
98.20561	1.2
107.01232	1.4
111.00730	0.4
123.00746	0.5
125.02274	0.6
139.00287	0.5
140.00989	0.6
151.00291	2.8
153.01776	0.8
157.06361	0.5
163.00285	0.8
165.01811	0.7
168.00447	2.2
181.01346	1.3
183.04417	1.6
185.06021	1.1
187.03993	0.9
196.03676	3.5
199.04005	0.5
211.03949	2.3
211.05998	1.1
227.03459	86.7
228.03815	5.5
229.05013	1.8
242.99312	0.6
243.03070	0.7
255.02969	100.0
256.03500	12.8
257.01077	0.7
257.04391	1.3
258.01877	0.7
270.07541	1.9
270.98938	3.6
271.01587	0.7
284.03271	58.1
285.03958	20.4
285.09882	2.2
286.04233	0.8
298.98340	2.8
299.99115	11.9
300.99399	0.9
314.00693	1.6
315.01520	7.4
316.01932	0.9
327.05255	0.6
397.19519	0.5
447.09561	57.5
448.09924	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	5.8
65.00201	1.1
69.49354	7.2
84.56115	0.8
93.03349	1.7
107.01297	2.6
107.74709	0.9
109.02870	2.1
121.02864	0.9
123.00752	0.9
125.02333	4.7
147.00775	2.5
148.01585	1.0
149.02364	1.3
151.00279	2.6
153.01898	1.1
154.27835	0.9
163.00301	1.9
165.01822	0.9
169.01384	2.8
171.04459	1.0
177.01784	1.0
183.04471	2.6
185.06056	1.3
187.03918	2.3
199.03880	1.6
211.03949	2.8
212.04817	1.3
213.05434	1.1
221.19304	0.9
227.03456	65.0
228.03783	4.2
229.05032	4.9
239.03470	2.0
240.04050	1.2
241.04886	1.7
243.03036	4.6
255.02977	81.7
256.03531	12.0
257.04498	3.6
267.03174	1.1
270.99066	1.1
271.02515	4.9
272.02704	1.7
273.03177	1.1
273.72858	0.8
283.02539	2.2
284.03259	79.3
285.04028	100.0
286.04324	8.5
299.02087	1.0
299.05411	0.9
300.02750	3.8
300.99936	1.3
301.03317	3.7
302.03473	3.3
303.04108	3.3
314.04340	1.9
315.01047	1.0
371.07602	1.1
403.10364	3.5
429.02444	2.0
429.08270	38.0
430.08710	3.9
447.09354	79.5
448.09662	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	447.0934
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
59.01252	78.3
60.01588	0.7
69.03346	1.9
69.24311	4.6
69.24735	2.7
71.01254	7.8
73.02843	2.0
83.01278	1.6
85.02839	2.7
89.02332	3.6
98.19839	1.3
99.00775	1.5
101.02324	5.5
113.02354	2.8
117.03396	0.9
119.03411	1.6
123.00768	0.7
123.60912	0.6
125.02371	2.6
139.00262	1.0
139.07538	1.1
140.01053	1.2
145.02902	0.7
147.00819	1.2
151.00316	0.8
155.07089	1.5
159.02884	1.2
161.02417	0.8
161.04512	5.4
161.05910	1.2
163.00301	0.8
168.00597	1.9
169.01347	2.1
171.00858	0.7
175.03981	0.8
177.01982	1.1
187.00241	0.8
189.01852	0.9
190.02682	2.2
191.03412	0.9
197.08110	1.0
199.00359	1.2
200.01285	0.7
201.01878	1.1
201.05539	0.9
203.03426	15.2
204.04028	0.9
211.04091	0.8
214.99712	0.9
218.02231	1.0
219.03091	1.4
222.01758	0.9
227.03459	14.8
228.04088	1.4
229.05017	27.3
230.05551	1.3
233.95000	0.7
241.05026	1.5
242.99391	1.0
243.02965	7.0
243.06760	0.9
244.03677	1.4
245.00912	1.4
245.04544	0.8
255.03040	5.1
255.06825	1.5
256.03607	1.0
257.04584	0.9
257.08151	0.9
270.05371	0.8
270.98834	9.0
271.01956	1.0
271.06436	0.8
271.09772	3.6
271.99536	1.8
272.03229	0.7
272.10562	1.5
273.04013	1.0
283.06305	1.1
283.09494	0.8
284.00137	1.0
284.03333	5.2
285.00705	1.5
285.04108	4.8
298.98410	4.3
299.09210	16.2
299.99112	1.2
300.09543	1.3
300.99854	1.1
314.00729	4.4
315.01492	1.2
315.05179	2.3
316.09534	1.0
327.08722	7.2
343.08264	1.0
344.09027	0.9
359.11456	3.5
376.50513	0.7
387.20233	6.4
403.10336	41.0
404.10837	3.4
447.09470	100.0
447.19281	2.7
448.09775	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	447.057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	20.9
61.13726	1.1
69.03310	1.4
69.32005	8.0
69.32431	3.6
69.33329	1.1
71.01264	6.9
71.04952	1.3
72.34841	1.0
76.79166	1.0
77.29292	1.1
85.02847	2.5
89.02324	4.4
93.03310	1.6
95.01369	1.1
98.02393	1.2
99.00735	1.4
101.02326	4.5
107.01273	1.4
108.02065	1.3
109.02849	3.5
113.02351	2.3
117.03328	3.0
119.03394	1.7
119.04961	1.2
123.00777	1.3
124.01537	2.3
125.02328	1.9
132.02083	3.0
133.02866	2.1
133.53854	1.2
134.03645	2.7
137.02226	1.4
142.29311	1.1
145.02878	5.6
160.01575	10.2
161.02365	2.9
169.01338	4.1
175.03937	11.9
176.78767	1.1
179.05669	1.2
183.04515	1.4
202.02586	1.5
211.04030	1.4
217.01331	1.5
227.03461	28.3
228.03867	2.1
229.04987	2.9
241.18068	1.5
242.02182	2.0
242.99335	3.8
243.02913	2.0
255.02969	34.7
256.03485	7.0
258.01669	4.8
261.72223	1.2
269.98053	2.4
270.01407	1.0
270.98843	49.9
271.02255	3.7
271.99228	2.9
273.03110	1.9
283.99710	6.2
284.03232	23.4
285.00397	16.9
285.03970	13.5
286.01086	6.6
286.04071	1.4
287.01877	1.3
297.97531	1.5
298.98309	67.5
299.99075	51.5
300.02579	3.4
300.99573	4.9
301.03342	5.0
302.03690	3.3
303.04160	3.9
312.99905	19.1
314.00644	65.4
315.01419	45.7
316.01736	2.4
327.08798	1.7
337.09256	2.0
371.08002	1.3
387.20233	1.3
403.10245	2.6
447.04916	100.0
447.10812	4.2
447.21741	5.2
448.05145	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	447.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95011	0.9
59.01252	14.2
65.00218	1.1
65.82050	0.8
66.93584	0.9
71.01257	5.3
73.02820	1.4
74.17644	0.8
85.02839	1.9
87.00742	0.8
89.02322	2.9
101.02345	3.3
109.02844	2.3
117.03347	1.5
119.03397	1.5
125.02319	1.3
132.02081	2.3
145.02861	3.7
150.28278	0.8
151.00270	2.1
160.01602	6.8
161.02344	2.3
161.04533	1.0
169.01317	2.2
172.12755	0.8
175.03928	9.6
178.99745	1.2
216.00594	1.7
227.03465	24.1
228.03844	1.1
229.04950	1.7
230.05832	1.4
242.02173	1.7
242.99277	2.8
255.02972	27.8
256.03641	4.5
257.04471	1.0
258.01587	4.6
269.97946	1.8
270.01563	1.3
270.98828	48.1
271.02161	2.6
271.99149	3.0
272.02774	1.2
273.03391	1.8
283.99725	5.4
284.03278	21.1
285.00421	11.6
285.03995	11.2
286.01123	7.8
287.01852	1.6
297.97598	2.7
298.98318	61.1
299.99121	46.3
300.02676	4.0
300.99634	5.5
301.03470	2.8
302.03491	3.2
303.04037	1.7
312.99918	18.1
314.00650	64.1
315.01413	44.2
315.05240	1.3
316.01721	3.5
327.04810	1.2
359.18826	1.0
387.20224	1.3
390.20786	1.0
403.10455	2.0
403.23114	1.1
447.05072	100.0
447.22354	3.1
448.05231	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	447.057
Annotation	Eschweilenol C
Peak:m/z	Relative Intensity
55.01766	0.6
57.03311	0.6
58.00475	0.5
59.01254	36.1
59.13240	0.4
60.01582	2.4
61.01671	0.8
61.79990	0.4
71.01263	10.2
71.15096	1.0
72.99190	0.8
73.02815	3.0
76.37360	0.4
83.01272	1.4
85.02829	3.3
87.00764	0.6
89.02314	4.7
95.01271	0.8
97.02789	0.5
99.00752	0.9
101.02326	7.1
107.01252	0.5
111.08010	0.5
113.02332	3.9
114.02692	0.5
119.03394	2.4
123.00769	0.8
125.02351	1.6
128.29312	0.4
129.05487	1.6
136.98657	0.6
139.00256	1.0
139.07518	0.5
140.01062	1.2
143.03400	1.1
155.07062	2.2
159.02896	1.1
161.04489	4.2
161.05817	0.9
166.99850	0.4
168.00542	3.8
169.01338	2.6
179.05527	1.2
179.07010	0.4
185.02428	0.6
197.02316	0.5
197.08113	1.2
200.01038	1.0
202.02687	0.6
202.40210	0.4
213.01791	0.4
214.02594	0.6
216.00676	0.4
225.14906	3.9
228.00552	0.8
229.01324	0.5
241.01418	0.5
242.02075	0.9
242.99257	3.8
243.99973	1.0
257.00858	0.7
258.01721	4.0
270.98849	45.0
271.99182	2.7
273.00458	0.5
282.99051	1.0
283.99692	6.7
284.02707	0.3
285.00406	15.1
286.01193	7.8
297.00388	1.0
298.98340	64.6
299.99008	14.9
300.99850	6.4
309.11899	0.6
312.99908	21.8
314.00687	64.3
315.01077	6.1
387.15814	0.6
387.20319	5.7
388.20630	0.7
392.86798	0.5
393.39468	0.4
393.45416	0.4
436.31192	0.4
447.05692	100.0
447.18356	6.2
448.06024	11.3
448.11563	0.5
448.18433	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96516	0.7
64.18542	0.8
69.59628	5.5
86.55826	0.7
135.54440	0.8
151.00252	1.0
163.00304	0.8
172.01570	0.9
211.03946	1.4
227.03450	30.0
228.03777	2.3
229.05026	1.1
242.99274	1.8
244.00023	1.9
255.02968	42.1
256.03595	5.0
270.95984	1.3
270.98859	21.7
271.99243	2.2
283.99997	1.2
284.03262	36.9
285.03967	10.6
298.98325	20.8
299.99115	93.7
300.99475	8.2
313.00040	1.1
314.00674	15.7
315.01462	100.0
316.01816	9.6
327.05347	1.0
447.05563	53.5
447.09998	27.0
448.04736	6.7
448.10306	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	447.0205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82143	0.5
57.03312	0.7
58.00465	0.6
59.01252	100.0
60.01584	1.0
61.98743	0.6
69.03329	1.2
69.60243	1.0
69.60648	2.9
71.01254	13.2
72.99194	2.2
73.02837	1.8
75.00759	0.8
83.01273	1.5
85.02827	4.1
85.52825	0.5
85.90230	0.5
87.00754	1.8
89.02315	10.2
95.01281	1.7
97.02823	1.1
99.00771	1.8
101.02335	7.4
107.01261	2.7
111.00815	1.8
111.08080	0.6
112.98644	0.6
113.02324	7.3
114.02662	0.5
115.12200	0.4
117.03331	0.8
119.03386	5.0
123.00819	2.1
125.02344	8.2
129.01785	0.5
133.02867	0.9
135.04382	0.6
139.00285	1.1
139.07539	0.7
141.01892	1.3
143.03418	1.2
145.02881	1.5
153.09129	1.7
155.07053	1.0
157.02916	0.5
159.02956	0.8
161.02441	1.2
161.04500	4.3
163.03932	1.3
166.99821	2.3
169.01341	9.1
170.01706	1.2
173.02393	2.0
173.14438	0.5
179.05571	1.9
181.05032	1.9
185.00906	0.7
189.01805	3.1
190.02605	0.7
191.03465	1.8
196.07419	1.6
199.09691	6.1
201.01881	2.4
203.03419	0.9
211.09752	2.2
216.00508	0.6
217.01376	14.0
217.03535	0.8
218.01958	2.1
219.02962	0.9
223.09744	1.1
227.16779	0.6
229.01227	2.8
243.03011	0.6
245.00871	15.2
246.01526	2.9
247.02458	6.3
247.04523	0.5
257.01077	0.9
258.01605	0.5
259.02475	0.8
271.99695	1.0
273.00409	52.9
274.00943	5.1
275.01907	3.1
285.00449	1.4
299.99323	0.9
300.99933	5.5
301.03107	0.8
302.00433	0.7
303.01495	2.1
387.20386	1.4
419.02563	27.3
420.03104	2.1
445.03891	0.6
447.01923	11.9
447.14816	0.7
447.22717	1.1
448.02533	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.5
59.73357	0.3
71.01232	0.3
71.33714	0.7
78.95776	6.5
90.40082	0.4
110.98415	4.9
144.16055	0.3
152.99464	0.5
167.01053	2.4
183.43585	0.4
185.02122	3.9
246.13010	0.3
277.21716	100.0
278.22070	10.0
278.67780	0.4
383.29626	0.5
401.30673	1.0
445.23685	3.0
445.29620	5.1
446.23999	0.7
446.30130	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95602	1.7
59.01249	100.0
71.01254	3.6
77.91933	1.6
78.95766	1.9
89.02304	2.1
95.38155	1.8
96.95899	11.0
141.03473	1.6
163.11157	1.6
191.48558	1.7
202.75565	1.8
209.11777	4.8
229.75383	2.3
272.29590	1.7
293.21228	26.0
311.22293	37.1
347.22348	5.5
373.27533	4.2
445.29999	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	446.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.5
57.03325	2.0
59.01250	52.9
61.98712	2.9
69.32401	15.1
71.01254	51.5
73.02814	13.1
75.00764	1.7
79.95625	2.7
83.01267	5.5
84.24635	1.4
85.02825	20.1
87.00764	3.1
89.02303	4.5
93.03326	4.2
95.01258	3.4
97.83569	1.4
99.00748	7.5
101.02332	25.5
107.01250	2.7
113.02326	23.2
114.02675	1.4
121.02882	1.9
123.00779	3.1
125.02328	6.4
141.01822	1.8
143.03448	5.1
147.00763	2.8
147.53964	1.6
159.02945	5.5
161.04466	100.0
162.04787	4.4
166.03638	1.3
169.01347	5.6
188.05574	5.2
202.99734	2.8
204.00085	2.2
205.03496	6.5
211.13280	1.8
223.06311	2.4
227.03465	6.3
227.07010	2.8
246.98805	6.2
247.99113	8.0
255.02937	12.3
267.06641	4.7
284.03232	12.2
285.03989	5.5
295.40210	1.6
301.03543	1.7
371.07675	2.1
375.16440	4.1
402.08987	1.6
403.10315	6.1
415.06558	1.5
446.08289	3.4
446.25360	1.4
447.09198	11.5
447.15106	3.8
447.26083	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30190	0.4
58.00474	1.3
59.01252	100.0
60.01593	1.3
69.58118	2.7
71.01254	17.4
72.99190	1.0
73.02827	0.5
77.82101	0.4
83.04899	2.5
85.02826	4.0
86.09138	0.4
87.00767	1.0
89.02319	27.5
90.64583	0.3
93.03355	1.6
95.01267	0.9
101.02327	8.7
107.01287	0.6
113.02335	7.7
119.03390	9.9
120.69656	0.4
123.00774	1.1
125.02311	2.9
131.03416	1.5
131.07074	0.6
137.02353	2.3
143.03426	2.7
149.04449	0.9
151.00278	0.6
155.07088	1.8
161.04524	2.8
169.01363	3.1
179.05536	10.6
188.59366	0.4
205.12294	0.6
211.02432	2.4
221.06725	0.4
245.71669	0.5
245.88516	0.4
249.28722	0.5
271.04562	2.9
293.12555	1.4
300.99881	0.9
322.60730	0.4
346.02823	0.5
445.13281	5.8
446.14029	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01582	1.0
66.07345	0.8
71.01257	16.2
83.04872	2.0
85.02843	0.9
87.00733	1.2
89.02319	32.8
90.55495	0.7
95.01292	0.8
98.19722	1.7
101.02330	8.2
113.02337	8.8
115.80545	0.8
119.03399	14.1
131.03394	2.3
143.03424	4.1
149.04437	1.5
149.78989	0.8
161.04442	5.7
179.05542	22.5
187.87648	0.8
215.47337	0.8
230.35886	1.0
408.88892	0.8
445.13486	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	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
59.98868	1.2
69.34309	7.7
69.34739	5.0
71.01252	31.1
73.02824	24.3
83.01239	1.9
85.02827	7.3
87.00726	2.2
89.02315	34.7
93.03342	7.1
95.01270	3.3
96.65183	1.3
99.00744	2.6
101.02328	20.9
109.21877	1.4
113.02332	13.4
119.03391	12.1
121.06455	2.9
123.00753	3.9
125.02309	6.6
131.03400	3.4
137.02342	12.3
137.08563	1.9
137.09621	33.5
139.00261	2.5
143.03413	1.7
149.04494	2.7
151.00287	2.9
159.02882	2.2
161.04434	9.6
163.11220	1.4
168.00426	2.3
169.01332	7.8
179.05536	6.0
205.12265	22.4
211.02402	2.3
264.54221	1.6
271.04535	5.6
385.18698	2.0
394.55130	1.5
445.17459	21.2
446.17123	3.1
447.20224	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01584	0.9
70.73698	1.2
71.01260	7.9
71.01630	0.3
73.02821	1.7
83.01251	0.7
85.02818	3.5
89.02339	1.3
95.01287	0.6
97.02830	0.6
99.00808	0.8
101.02316	4.2
113.02332	4.3
114.71931	0.5
125.02384	0.4
159.02881	0.6
161.04460	3.8
209.11807	2.0
445.08493	0.5
445.17447	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.64431	1.1
69.49117	6.9
78.95775	4.8
96.95911	1.7
100.84553	0.7
101.02348	0.7
106.89939	0.8
112.11659	0.8
129.67831	0.9
149.00035	6.0
205.15921	5.3
209.11813	2.4
252.33807	0.8
284.54892	1.0
355.16766	19.2
356.17148	3.0
385.17853	11.0
386.18457	1.9
445.19894	2.9
445.30136	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	445.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24672	0.6
50.34718	0.5
53.76110	0.6
55.01765	0.8
57.03334	2.2
59.01253	100.0
69.03316	0.7
71.01254	17.7
71.20749	0.9
71.21086	0.6
72.99195	0.8
73.02830	3.3
79.01756	0.6
83.01283	1.2
85.02828	8.3
85.61526	0.7
87.00780	1.7
89.02318	10.7
89.87473	0.7
93.03329	0.6
95.01289	2.3
98.19859	0.8
99.00767	1.4
101.02324	9.7
105.79584	0.7
107.01264	1.9
109.06514	1.0
111.00799	1.6
113.02339	6.9
115.45113	0.7
119.03413	3.9
121.06500	1.0
123.00767	6.2
123.08111	0.9
124.01681	0.7
125.02337	8.1
127.00314	0.8
131.03429	0.7
131.07152	0.8
137.02368	1.5
137.09673	1.3
139.00291	1.9
140.01056	1.2
141.01833	1.2
143.03432	1.0
151.00294	4.0
151.68120	0.6
152.03488	1.3
155.07039	6.1
159.02940	1.1
161.02403	1.3
161.04494	5.4
165.09129	1.4
168.00589	2.3
169.01353	11.6
179.05539	3.1
187.11218	1.0
189.02078	0.9
198.94023	0.7
205.12242	3.8
223.13402	3.2
239.12846	0.7
275.02142	0.7
293.12436	1.0
299.99338	1.0
300.99918	2.6
313.05731	1.0
385.18900	1.0
403.12543	1.1
404.32492	0.8
445.04205	1.5
445.13278	9.5
445.18719	12.4
446.13568	2.0
446.18329	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	445.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.8
58.00422	0.6
59.01252	100.0
60.01585	1.3
65.00200	1.3
67.01769	1.1
68.99742	0.8
69.03332	1.4
71.01252	13.3
71.57397	1.0
72.99183	2.0
73.02834	2.0
79.01765	1.5
81.59470	0.6
83.01241	2.1
85.02835	4.5
87.00757	1.7
89.02320	13.0
95.01262	4.6
97.02829	1.7
99.00757	1.2
101.02332	9.5
101.73090	0.7
107.01271	7.2
109.02783	1.1
110.00048	0.7
111.00772	5.6
113.02348	4.4
117.03353	0.8
119.03401	6.0
123.00774	28.0
124.01576	1.2
125.02338	28.8
126.02615	0.9
127.00233	2.3
131.03374	1.1
135.08008	0.6
136.98683	1.9
137.02309	0.8
139.00282	7.1
140.01068	6.5
141.01820	3.7
143.03409	0.8
145.02771	0.7
150.99123	1.1
151.00270	14.5
152.03448	4.6
153.01758	1.2
155.07025	1.2
159.02899	0.7
161.04402	2.7
163.00229	1.0
165.09068	3.0
166.54318	0.7
166.99753	1.0
168.00545	7.1
169.01344	36.6
170.01645	2.5
179.05466	2.5
187.00217	0.8
191.03383	1.0
205.12321	4.0
217.01106	1.0
221.11729	1.4
223.13382	3.5
230.99123	0.7
233.19913	0.7
247.02338	1.1
257.00873	0.7
271.04700	1.5
283.11771	1.1
300.99930	4.1
313.05746	1.2
385.11200	3.5
385.18408	2.4
388.32303	0.7
403.12479	8.1
445.13116	89.1
446.08716	0.9
446.13547	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	445.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	98.3
67.01750	2.8
71.01261	26.9
71.57157	2.2
72.72893	1.7
72.99195	1.9
73.02818	2.2
74.88052	1.5
80.99737	1.7
83.01283	1.8
83.04901	2.6
85.02818	7.5
87.00732	3.0
89.02326	39.9
95.01265	8.2
96.95895	4.2
101.02322	20.8
107.01270	5.6
108.52288	1.8
111.00774	3.9
113.02344	14.9
113.05944	2.6
114.99082	1.5
116.04321	1.7
119.03400	17.0
123.00777	17.7
124.01501	1.9
125.02343	27.9
127.00311	1.7
131.07042	8.5
136.98769	1.9
139.00272	10.5
140.01071	2.4
141.01833	2.3
143.03362	3.0
151.00290	11.8
161.04477	4.0
163.00336	2.7
163.06087	3.3
166.99792	3.3
168.00569	3.6
169.01366	27.8
170.01576	1.7
173.02368	2.1
179.05556	11.1
191.10669	1.8
203.10736	2.7
207.37070	1.9
211.02458	2.4
216.00505	2.0
245.01004	2.7
265.10944	2.2
270.98825	2.2
271.04517	6.0
275.01956	3.4
293.12457	25.6
293.15540	3.0
294.12552	2.5
299.98975	2.8
300.99872	9.7
359.12924	1.8
427.12247	4.0
441.44684	1.9
445.03757	2.6
445.13470	100.0
446.13989	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	445.1356
Annotation	Bungeiside D
Peak:m/z	Relative Intensity
58.00446	0.5
59.01254	21.2
59.22922	0.5
65.00188	0.7
66.71687	0.6
67.01766	0.8
68.99713	0.7
69.03330	0.7
71.01254	13.8
72.59405	0.6
72.99179	1.7
73.02822	0.7
75.00755	1.1
79.01748	1.2
83.01265	1.2
85.02843	2.6
85.06480	1.0
87.00730	0.8
89.02319	17.1
95.01268	3.6
97.02821	1.3
98.20594	1.8
101.01688	0.9
101.02326	11.2
106.77854	0.5
107.01262	3.2
108.02074	1.9
109.02859	1.2
111.00751	1.7
113.02334	5.4
113.05967	4.2
119.03391	7.0
119.75903	0.5
122.99907	1.0
123.00774	18.2
123.40027	0.6
124.01588	0.8
125.02343	15.9
127.00273	0.8
131.07051	3.0
135.04451	0.5
136.98723	1.1
139.00267	3.9
140.01051	2.0
141.01825	2.3
151.00281	9.8
151.03926	0.8
152.01038	2.0
153.01775	1.2
155.93196	0.5
161.02335	1.2
163.03937	0.7
166.99767	1.0
168.00562	3.2
169.01331	16.7
170.01659	1.4
177.01875	0.6
189.01949	0.6
211.02354	4.7
214.99583	0.6
217.01431	0.9
230.27904	0.6
230.99347	0.8
239.03407	0.5
271.04541	4.4
272.04977	1.0
273.00372	1.0
275.02100	0.8
293.12442	24.3
294.12744	1.5
297.06332	0.5
299.99084	2.0
300.99823	2.9
313.05792	0.8
315.07074	1.0
329.26428	0.6
427.12451	3.1
445.03717	2.9
445.13495	100.0
446.13815	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	445.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	6.3
71.01252	12.3
73.02818	6.0
77.50988	2.0
85.02854	1.9
89.02296	3.1
89.23299	2.1
89.46336	2.1
89.48434	1.8
90.53625	1.8
95.01260	3.5
95.50791	2.0
97.02755	2.0
101.02336	5.0
104.22015	1.9
107.01256	4.8
113.02364	2.9
123.00779	14.8
125.02343	29.2
131.03433	5.1
139.00259	4.3
141.01796	3.9
151.00278	9.3
166.02493	2.0
166.99802	3.5
168.00529	3.0
169.01347	33.0
170.01788	2.3
182.14055	1.9
211.02347	4.3
229.31967	2.8
233.34685	2.3
240.44772	2.5
313.05798	10.2
313.28461	2.1
387.09491	4.1
445.09799	100.0
446.10318	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	445.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09508	0.6
58.00451	1.2
59.01252	53.0
67.01767	1.3
70.19720	3.3
71.01257	23.2
72.01598	1.2
72.99172	2.8
73.02818	2.4
75.60480	0.7
79.01765	1.6
80.78147	0.7
83.01240	2.2
83.15539	0.8
85.02836	5.2
87.00746	3.3
89.02319	25.4
95.01260	2.3
97.02848	1.3
100.58618	0.8
101.02332	16.1
107.01270	6.3
111.00772	3.5
113.02342	9.6
113.05939	1.4
119.03396	10.5
123.00768	14.5
124.01581	2.0
125.02343	26.2
126.02670	0.8
131.03436	1.0
131.07036	3.4
135.04369	0.9
136.98724	1.4
137.02258	1.2
139.00273	5.8
140.01027	3.4
141.01820	1.6
143.03369	1.7
145.02809	1.1
151.00285	9.8
153.09084	0.9
161.04456	1.6
163.03847	0.7
165.01929	0.9
166.99780	1.3
168.00549	8.1
169.01344	35.0
170.01648	1.3
173.02344	1.5
179.05515	3.8
180.45529	0.6
181.01317	0.8
189.01689	0.8
193.01295	0.8
201.01805	1.0
209.11777	1.0
211.02443	28.0
212.02663	1.3
229.01555	1.0
241.03464	1.5
271.04602	35.8
272.04947	2.9
273.00162	0.9
275.01770	0.8
283.12079	0.8
293.12411	16.0
294.12781	1.1
299.99216	1.2
300.99899	8.8
302.00180	1.1
313.05603	1.8
331.06702	2.0
421.74149	0.9
427.12332	5.3
444.05884	0.9
445.13431	100.0
446.13699	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	445.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.8
63.02272	3.9
65.00179	6.3
66.26177	0.5
69.25417	4.0
69.25831	1.9
71.01246	0.9
83.01253	5.5
93.03321	1.6
103.13628	0.6
107.01272	11.2
108.02092	0.5
109.02814	1.9
121.02827	8.5
125.02326	0.8
139.03853	0.7
141.03470	0.6
145.02817	0.6
149.02318	1.9
151.00278	37.7
152.00630	1.5
156.73293	0.6
163.00272	3.3
163.03963	0.7
164.01060	1.2
169.01328	3.0
178.98199	0.9
178.99785	14.8
180.00179	0.7
183.04478	0.8
187.03825	0.9
193.01317	0.9
199.03920	1.3
203.03496	0.7
205.01219	0.7
211.03934	2.3
226.02728	0.7
227.03442	2.4
228.00867	0.6
228.03928	0.7
229.05060	0.8
239.03647	0.7
242.02301	0.7
243.02919	5.9
243.87518	0.6
244.03279	0.7
245.00961	1.0
245.04480	2.0
254.02063	0.9
255.02954	9.8
256.03531	1.8
257.04572	0.7
259.99619	0.8
269.00949	1.1
271.02463	19.0
271.99768	0.8
272.02908	1.8
273.03973	3.1
274.01196	2.8
275.01956	0.6
282.99084	0.7
283.02454	1.6
283.11960	0.7
284.03207	1.3
299.01819	1.0
299.99127	3.4
300.02698	23.5
301.03510	100.0
302.00616	1.0
302.03879	7.7
311.02106	1.0
315.01465	0.9
329.03015	0.7
338.00616	1.6
339.01538	1.1
369.06110	2.7
385.05591	1.8
386.06406	1.1
395.03891	1.3
401.08914	3.3
413.05060	16.1
414.05414	1.8
431.58893	0.6
445.07730	29.7
446.08075	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	2.1
61.79090	1.0
69.30552	0.8
70.40937	0.8
72.24304	0.8
72.92683	0.8
91.01756	5.3
98.19837	2.0
109.02839	2.3
119.01294	4.9
137.02330	8.4
147.00789	14.2
151.81783	0.8
163.00284	6.9
165.01840	10.8
174.03192	1.1
175.00311	7.6
181.12527	0.9
201.01820	1.3
202.02628	5.1
202.99794	35.8
204.00124	1.7
206.99342	3.5
209.00871	16.6
229.01389	1.3
230.02164	4.0
245.00677	1.1
246.98817	100.0
247.99132	6.2
269.00974	1.9
272.02017	1.0
273.00409	1.4
274.01440	4.0
297.07651	2.3
325.07275	1.6
350.00574	1.0
357.09735	1.4
401.08826	5.3
445.07718	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	443.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57557	7.3
57.03328	8.6
59.01274	12.5
65.03822	8.7
66.87381	7.1
69.03339	7.0
89.07204	8.6
93.06989	21.3
98.20574	19.9
99.08068	14.9
111.08041	8.9
137.06012	39.5
155.07057	45.5
167.10680	53.6
231.55016	9.7
443.31680	100.0
444.32413	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	443.3529
Annotation	Topsentisterol A2
Peak:m/z	Relative Intensity
54.39154	0.4
56.28948	0.4
63.07721	0.3
69.03311	0.4
85.06461	22.3
86.06809	0.5
87.04396	4.9
111.08036	1.4
131.88040	0.4
229.51703	0.4
355.29935	0.5
383.33334	0.5
399.36340	18.1
400.36569	2.5
425.34308	3.6
426.34799	0.4
443.35315	100.0
444.35632	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	445.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63916	4.9
80.93757	0.6
94.85676	0.7
95.01271	1.2
123.00737	1.2
124.50681	0.6
125.02358	0.7
133.02831	0.7
133.36850	0.8
137.81403	0.5
143.04964	0.8
145.02855	1.3
147.00725	0.7
160.01497	1.0
163.00253	2.0
171.04385	1.6
173.02316	1.0
176.01096	0.7
177.01840	1.1
178.99773	0.8
183.04454	1.0
187.00325	4.6
193.01291	0.8
197.02350	3.0
197.06116	0.9
198.03067	0.9
199.03885	1.8
200.00983	0.8
201.01807	1.0
202.99773	0.8
210.03233	0.7
211.03900	2.5
211.07330	0.6
212.04628	1.2
213.05475	0.8
214.02652	2.1
215.03308	1.1
216.00560	1.9
217.01390	1.2
224.04689	0.8
225.01933	4.3
225.05392	3.7
225.09216	1.0
226.02568	2.4
226.06253	1.3
227.03435	4.5
228.04114	1.1
229.01411	1.9
229.05020	1.3
239.03445	4.0
239.06926	0.8
240.04300	3.5
241.01353	1.1
241.04994	3.3
241.08600	1.5
242.02184	9.6
242.04549	0.8
242.05742	1.6
242.99245	1.8
243.02927	4.4
243.06575	1.0
243.99997	4.9
245.00723	1.5
251.03583	0.9
253.01434	3.8
253.05023	4.3
253.08731	1.4
254.05763	2.2
255.02979	6.3
255.06573	1.9
256.03674	2.3
257.04642	0.9
257.08035	1.1
259.99609	1.3
261.00107	1.1
266.02225	1.0
267.02994	3.5
267.06577	0.9
268.03738	3.9
268.07492	0.9
269.00903	9.0
269.04504	2.1
269.08105	4.2
270.01553	3.5
270.05255	3.3
270.98804	5.7
271.02451	2.8
271.05923	3.2
271.99402	1.5
272.03101	2.2
273.00092	0.7
273.03946	3.6
274.04373	0.8
280.03439	0.9
281.04611	2.3
281.07919	0.8
282.01910	1.1
282.05316	3.7
283.02545	3.4
284.03232	1.6
284.06693	0.7
285.04160	0.9
285.07648	1.8
286.01306	0.9
288.02670	0.7
295.02545	0.9
295.05930	0.8
296.03171	2.2
296.06531	0.7
297.00403	8.2
297.04016	8.2
297.07666	5.7
298.01300	1.5
298.04770	5.2
298.07816	1.2
299.01944	7.4
299.05505	2.6
300.02625	2.7
301.03522	1.9
301.07062	1.0
311.02072	1.6
312.02786	3.6
312.05768	0.7
313.03659	1.3
313.07214	3.7
314.00726	0.8
314.07785	1.0
323.05698	1.4
325.03510	13.1
325.07181	3.7
326.04245	4.9
329.02972	1.4
329.06638	5.2
340.02191	2.5
341.02921	0.6
341.06659	8.3
343.00931	2.2
369.06116	26.3
370.06607	3.1
373.09271	2.4
385.05191	1.0
401.08737	22.7
402.09125	2.8
413.05127	35.4
414.05612	4.0
445.07733	100.0
446.08093	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	443.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89629	1.0
52.17717	0.9
55.01758	2.5
56.60757	0.9
57.03311	2.4
58.00457	0.9
58.51357	0.9
59.01254	75.4
60.01604	0.9
61.98688	0.8
66.71693	0.9
71.01256	32.3
72.12042	1.0
72.99177	2.1
73.02831	4.9
78.44885	0.9
83.01269	3.1
85.02824	7.3
87.00774	2.0
89.02322	19.6
95.01260	2.9
95.68833	0.9
95.79182	1.0
96.95884	2.0
99.00754	2.5
99.04377	1.1
101.02325	20.9
107.01280	1.8
107.07848	0.8
113.02332	10.0
119.03387	9.4
123.00760	1.2
125.02354	3.7
151.00262	1.1
161.04465	2.8
169.01361	4.2
177.01857	2.7
179.05519	1.5
179.10760	3.3
229.77763	1.1
230.48024	0.9
237.09750	2.2
245.00662	1.1
263.16455	2.5
281.17612	1.0
299.99298	1.2
300.99930	2.3
301.03204	1.3
318.00113	2.0
325.31531	1.0
361.51578	1.0
425.22031	1.2
443.06125	2.2
443.22864	100.0
444.23218	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	443.2289
Annotation	Radiosumin B
Peak:m/z	Relative Intensity
55.01763	1.7
57.03312	1.8
58.00463	1.5
59.01254	69.2
60.01577	0.7
61.98695	1.0
71.01257	29.1
72.99178	3.1
73.02815	4.0
74.31924	0.7
82.31048	0.7
83.01268	3.3
85.02814	8.3
87.00760	2.3
87.34531	0.7
87.52859	0.6
89.02316	17.2
91.12228	0.6
95.01256	3.5
95.84071	0.6
97.02856	0.8
99.00761	1.9
101.02328	21.0
107.01276	0.8
111.00726	0.8
113.02337	10.3
119.03394	8.6
121.02845	1.1
123.00809	0.7
125.02341	2.9
131.03442	0.9
135.11658	1.6
143.03349	1.0
161.04486	2.2
161.09627	1.3
169.01344	4.0
177.01820	4.3
179.05505	1.1
179.10715	3.9
191.53026	0.7
229.23181	0.6
237.09834	3.0
263.16513	1.3
285.04160	0.7
294.36813	0.6
299.99075	0.9
301.00040	1.3
318.00006	1.7
333.07867	0.7
425.21820	1.3
443.06064	1.7
443.22855	100.0
444.16977	1.0
444.23221	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	443.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01783	3.0
58.02848	15.1
59.01254	28.3
68.92522	4.2
71.01264	14.1
71.37173	7.3
72.99184	4.0
74.02349	29.9
83.01278	11.8
85.02818	5.7
86.02319	7.7
87.00771	3.6
87.05530	6.0
89.02327	6.8
93.59163	3.2
95.01250	7.8
97.03991	5.1
97.06551	3.8
99.05513	28.5
101.02341	7.4
101.07111	4.4
107.01289	7.6
109.03980	4.3
111.00770	26.0
113.02310	5.9
119.03333	3.5
123.00790	26.8
125.02283	39.4
127.05035	4.1
128.03432	76.7
135.05515	9.7
136.98741	3.8
139.00273	8.3
140.01015	5.8
140.05310	12.0
141.01749	4.7
141.06583	6.4
143.04536	100.0
146.04517	10.3
151.00272	9.0
153.06586	6.2
154.99768	15.2
163.00279	3.7
166.09695	4.7
167.04663	4.2
167.08076	5.1
168.00571	10.2
169.01335	58.1
170.06369	12.6
171.04074	4.0
177.46646	3.8
179.04565	32.1
190.99796	28.2
197.05600	6.5
206.02167	30.1
210.08788	23.7
211.02435	37.2
221.04485	47.9
254.07808	39.4
255.07944	4.0
271.04578	49.1
272.05045	5.7
272.05573	6.3
272.08887	62.8
273.08859	4.3
313.05621	4.7
314.11963	6.2
331.06546	6.1
346.36099	3.6
425.14673	7.4
441.43777	3.5
443.02658	6.8
443.11154	60.8
443.16336	30.7
444.12106	9.5
469.99216	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.9
59.01253	8.8
61.98704	0.9
67.01778	0.7
68.99683	0.6
69.03316	1.3
69.25172	3.3
69.25600	2.4
71.01256	9.0
71.88349	0.5
72.99156	0.7
73.02821	1.1
78.97440	0.5
79.01760	1.0
81.03346	0.6
83.01256	1.2
85.02827	2.8
87.00761	0.6
89.02305	2.1
95.01250	1.4
96.72017	0.5
97.02848	1.1
101.02335	3.3
107.01277	10.0
109.58251	0.5
111.00758	1.4
113.02312	2.3
119.03368	1.2
121.02799	1.4
123.00773	8.9
124.01557	1.1
125.02340	64.8
126.02668	2.3
129.09145	2.4
136.98700	0.9
137.02295	1.2
139.00259	3.0
140.01102	2.5
141.01791	1.5
151.00267	6.7
153.01842	0.7
161.02393	0.7
161.04462	1.1
165.01826	0.5
166.99768	0.9
168.00536	3.1
169.01340	100.0
170.01677	3.3
173.02385	0.5
193.01300	2.2
201.01877	0.8
203.03352	0.5
211.02441	4.8
216.00488	0.9
221.00839	1.0
223.02534	0.5
227.03363	1.2
229.01471	0.8
241.03448	5.2
244.82739	0.5
255.03093	0.7
271.02316	0.7
271.04654	5.7
273.00330	0.6
275.02026	1.0
282.01642	1.4
283.02396	1.6
295.02499	8.2
296.02933	0.8
299.01996	0.8
299.98914	0.9
300.99857	2.7
301.03275	0.9
304.80966	0.6
309.00491	1.6
310.04684	1.9
311.01935	1.4
311.05453	1.2
313.05661	51.7
314.06015	3.3
323.05582	0.5
327.01462	12.4
328.01743	1.2
339.05063	1.0
342.03806	2.2
355.00928	1.8
367.04697	1.6
368.04913	1.2
381.06262	0.8
384.04724	3.9
399.07178	7.9
400.07660	1.4
411.03586	1.7
443.06613	11.1
443.15558	71.1
444.06183	2.0
444.15927	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	443.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81805	0.8
55.01819	0.7
56.79416	0.7
58.00520	0.8
59.01311	8.6
65.91937	0.7
67.01795	0.8
69.03371	1.0
71.01254	5.7
71.05602	1.7
72.99235	1.1
73.67194	0.7
83.01284	0.9
85.02902	3.1
85.26263	0.7
89.02390	2.8
93.03385	1.2
95.01336	2.1
97.02882	1.2
99.00826	0.8
101.02319	3.5
107.01260	4.7
111.00828	3.3
111.04438	1.3
113.02425	2.3
117.03445	1.3
119.04901	1.0
123.00772	9.2
124.01656	2.8
125.02338	30.7
126.02797	0.9
127.00320	1.6
129.05505	1.1
133.02902	1.3
135.04454	1.4
136.98759	2.2
137.02466	1.0
139.00343	2.4
139.03973	1.0
140.01027	4.8
141.01851	1.3
145.02866	6.3
149.02406	0.7
151.00279	4.7
159.04506	1.8
160.01697	0.7
161.02417	3.1
165.01930	0.8
166.99779	0.9
167.03465	1.3
168.00555	11.6
168.01732	1.0
169.01338	40.8
170.01743	1.5
175.03970	0.8
179.03493	1.3
211.02432	51.3
212.02820	2.2
238.06239	0.7
241.03499	1.0
245.01004	0.7
260.90616	0.7
271.04593	100.0
272.04996	4.7
273.00476	0.7
291.10843	2.7
299.98990	1.2
300.99747	1.8
313.05585	1.2
331.06659	11.6
370.91037	0.8
399.07440	1.2
443.01886	1.4
443.11661	35.3
444.11914	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	443.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86133	3.0
59.01253	79.5
60.01598	4.5
69.53817	18.6
71.01253	29.7
72.01614	4.8
72.99200	3.5
73.02819	7.4
73.99538	2.9
83.01277	8.5
85.02815	12.9
87.00768	4.5
89.02317	10.0
95.01271	15.1
99.00762	4.4
101.02319	25.6
102.02649	5.7
103.02739	3.6
107.01271	9.2
108.36656	3.0
109.02808	3.1
111.00763	9.0
112.63329	3.0
113.02318	8.0
119.03364	3.5
119.05518	2.9
123.00761	27.0
125.02338	48.2
127.00256	6.1
129.05453	8.1
135.04427	3.3
137.02289	3.2
139.00272	13.4
140.01070	4.7
151.00279	11.9
161.04434	5.4
163.00250	9.5
166.99681	5.1
167.03477	3.3
168.00558	17.9
169.01344	73.6
170.01678	6.5
187.68858	2.8
190.98192	5.3
190.99785	50.5
206.02165	72.8
207.02611	3.0
211.02412	79.4
221.04510	87.2
222.04797	6.1
235.11935	17.4
236.12148	13.1
237.12378	11.7
237.33527	3.1
247.02437	3.9
267.24966	3.0
271.04584	100.0
272.04977	4.9
291.10745	6.7
299.99072	4.1
300.99741	5.4
331.06720	8.2
355.74194	3.0
361.93350	3.2
381.17664	4.0
382.18079	6.9
383.13873	3.4
383.18088	22.9
443.02814	4.2
443.11835	89.0
444.12250	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	441.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19821	1.3
55.13867	1.3
56.84859	1.1
65.03823	1.6
66.62543	1.1
66.86536	1.0
70.55502	2.1
70.55844	2.3
79.71556	1.3
93.06954	2.8
96.95876	12.4
121.10108	15.1
137.05992	6.4
145.02838	2.7
155.07034	15.6
165.09132	12.2
196.16751	1.2
224.20142	1.3
441.25226	11.4
441.37375	100.0
442.37610	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	443.062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	14.1
61.98689	0.7
69.39546	6.7
71.01250	4.2
72.14546	0.7
73.02781	0.7
85.02811	1.2
89.02314	3.2
95.01255	1.0
101.02313	1.9
104.02524	0.9
107.01272	1.8
113.02327	1.2
114.21847	0.7
121.02887	0.7
121.76106	0.6
123.00774	1.7
125.02343	4.7
132.02054	1.0
140.01057	0.9
151.00273	0.9
158.87938	0.7
160.01620	1.1
161.04503	1.2
165.01834	1.0
168.00507	0.9
169.01340	8.9
171.04448	0.8
173.02368	1.1
175.00185	0.8
179.10793	0.8
183.04434	1.4
186.34773	0.7
188.01115	1.1
189.26399	0.7
193.01363	12.7
199.04007	1.9
211.03990	2.1
215.03470	2.0
216.00609	2.7
217.01360	1.5
221.00848	7.6
227.03424	6.3
228.00641	1.0
228.03983	1.0
229.01363	2.4
239.03450	1.5
243.02983	4.5
243.99960	1.6
245.00893	1.4
247.06125	2.3
253.01428	1.1
254.02238	0.7
255.02969	4.6
255.37617	0.7
257.00919	1.1
258.98602	0.7
259.99603	9.5
266.02084	0.8
267.02933	2.7
270.01724	0.8
270.99887	0.8
271.02420	5.5
271.99646	2.0
272.02747	1.3
273.00443	2.1
274.01166	4.0
281.00937	1.7
281.04257	1.1
281.08145	0.9
281.95767	0.7
282.01553	1.0
283.02368	5.0
283.99680	1.0
284.03079	0.9
285.00256	1.0
285.03870	0.8
295.02560	0.7
295.05997	1.4
298.98874	1.0
299.01938	5.0
299.99066	3.2
300.99939	7.1
301.03177	1.3
309.00208	1.3
310.01181	1.7
311.02148	4.1
311.05383	1.2
312.02805	1.6
323.05585	2.1
324.99908	1.0
325.03400	1.3
326.00586	1.4
327.01456	100.0
328.01859	8.8
336.99939	2.4
338.00607	1.4
339.01212	1.2
339.04996	1.6
340.05887	4.0
342.03748	2.7
343.04697	2.4
355.00943	1.2
355.08371	2.2
366.04077	1.1
367.04453	5.3
368.05344	1.5
369.02472	1.3
381.06088	2.2
383.04050	2.8
384.04883	28.3
385.05084	2.5
399.07196	33.2
400.07486	3.0
411.03625	8.3
412.03888	1.8
443.06192	61.1
444.06433	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	439.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09732	1.3
59.01252	100.0
70.16537	1.3
70.99855	3.2
73.20073	1.5
96.95889	1.9
185.31923	1.5
186.36844	1.5
189.68761	1.6
216.70601	1.4
222.13362	1.5
233.04735	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	439.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18569	1.5
59.01250	100.0
96.95918	3.7
98.20585	4.1
121.02567	1.7
240.74905	1.6
411.01279	1.7
439.32791	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.9
59.01252	100.0
60.01580	1.0
61.98696	0.9
65.45790	0.7
71.01260	5.7
73.02820	1.4
83.01266	1.0
83.11924	0.7
85.02824	3.0
89.02329	1.8
95.11414	0.9
97.06511	0.9
99.00748	1.2
101.02318	2.8
109.06448	0.9
113.02310	2.2
115.89565	0.7
125.02321	1.5
135.08058	2.2
137.09668	1.9
138.01793	1.2
159.11720	0.8
160.08850	3.0
161.04448	3.1
161.09598	1.5
163.07649	1.0
169.01321	2.6
177.12752	3.1
189.12766	11.4
190.13077	0.9
191.05606	2.0
201.12816	5.2
204.11441	1.5
219.13858	75.5
220.14177	5.1
221.04774	0.9
438.15628	0.8
441.17743	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	439.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
63.13353	0.2
69.70556	1.2
69.71267	0.3
74.19208	0.2
78.95777	49.1
88.31358	0.2
96.95953	5.2
96.96841	100.0
114.16887	0.2
116.24883	0.3
121.30788	0.2
121.42073	0.3
125.02308	0.5
159.10655	0.2
439.08447	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23582	0.2
59.01254	0.8
67.01755	0.4
68.99688	0.3
69.03330	0.7
71.00720	0.5
71.01256	3.4
73.02814	0.4
77.24227	0.2
79.01740	0.3
81.03365	0.5
83.01255	0.4
85.02833	0.6
87.00797	0.3
95.01241	0.6
97.02853	1.5
98.45444	0.3
101.02324	0.8
103.46062	0.2
107.01269	6.8
111.00786	0.8
113.02320	0.5
123.00779	4.1
124.01614	0.7
125.02338	38.1
126.02683	1.1
134.62852	0.3
136.98709	0.7
139.00294	1.3
140.01019	1.6
141.01813	1.2
143.03419	0.4
146.26733	0.3
151.00256	3.5
168.00536	1.8
169.01337	53.8
170.01688	2.0
211.02438	0.6
223.02505	0.5
241.03491	3.5
253.03548	0.3
275.02063	0.2
313.05652	26.3
314.06067	1.9
411.09412	0.5
439.08783	100.0
440.09125	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	439.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77300	0.6
55.01751	0.8
59.01252	10.3
61.98723	0.8
71.01257	6.9
71.14075	0.5
71.58043	0.8
72.99184	0.9
73.02818	0.6
76.40879	0.5
82.63181	0.5
85.02831	2.0
89.02327	3.5
95.01269	0.8
95.04901	1.0
101.02340	2.5
105.03353	1.0
113.02341	1.9
117.03330	0.9
119.03392	1.1
119.04919	0.6
119.65549	0.6
123.00787	0.6
125.02306	1.6
132.02074	20.8
133.02896	6.1
134.03629	13.3
135.04367	0.9
137.02338	2.4
145.04762	0.6
149.05998	3.0
158.17088	0.6
160.01573	94.8
161.01967	4.1
167.60150	0.5
168.00505	0.6
169.01331	1.9
175.03928	100.0
176.04260	4.3
177.01848	1.1
178.02567	0.7
179.03430	1.8
193.04991	14.0
194.05376	0.7
215.20468	0.5
235.06035	2.1
285.24573	0.6
295.08047	1.0
300.99930	0.8
377.59848	0.5
379.76096	0.5
383.17197	0.5
400.47922	0.6
404.27765	0.5
424.13760	2.2
439.03653	2.5
439.16092	63.6
440.16415	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	439.0308
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47485	0.3
59.01247	1.5
69.24374	1.8
69.24805	2.2
71.01258	0.6
78.59251	0.3
83.01229	0.4
85.02775	0.5
96.95866	0.5
98.19833	0.8
107.01286	1.1
123.00764	0.5
125.02330	2.4
135.04437	0.4
137.02339	0.4
139.03918	0.4
150.03116	0.3
160.01563	0.5
161.02341	0.6
163.00255	0.9
168.00581	0.7
169.01370	3.2
170.01717	0.5
175.03993	0.4
179.03340	0.4
195.04588	0.5
226.73955	0.4
239.03473	0.4
245.01035	0.4
257.00760	0.4
267.02924	1.0
271.99503	0.4
277.05130	0.4
283.02463	0.4
293.04651	0.8
295.02344	0.6
295.08099	0.4
299.99146	6.1
300.99765	2.2
309.00687	0.4
309.04343	0.4
311.02026	0.6
312.02188	0.4
312.99591	0.5
314.00674	0.8
321.00595	0.7
321.04144	0.9
322.01169	0.5
323.01901	1.1
324.99823	6.0
336.99942	0.4
337.03595	0.7
338.00684	1.7
339.01462	4.5
340.02029	0.8
348.99796	1.2
349.03555	0.8
350.00635	0.8
351.01550	2.3
352.01828	0.5
365.02927	2.4
366.00089	3.0
367.00870	3.9
368.01669	1.2
375.01492	0.8
376.02194	1.5
377.02991	0.7
378.00250	0.4
379.00958	1.2
383.04099	0.7
393.02490	10.9
394.02838	0.9
395.00406	4.8
396.00809	0.9
411.03583	10.5
412.03821	1.1
439.03070	100.0
440.03439	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	438.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00206	0.2
56.41259	0.2
59.01251	0.9
61.98691	0.2
64.43026	0.2
68.01286	0.4
69.03313	0.2
69.23373	1.0
69.23797	1.3
71.01260	0.8
83.04897	0.3
87.00730	0.2
93.03333	0.8
93.06957	0.4
94.03680	0.2
95.04900	0.3
95.27637	0.2
98.19814	0.4
101.50105	0.2
107.01283	0.3
109.06467	0.6
111.08002	1.0
113.02351	0.2
122.02413	0.4
122.06060	0.3
123.00771	0.3
123.03155	9.8
124.03487	0.3
124.07565	0.3
125.02341	0.9
136.03990	0.2
136.07581	0.2
137.02397	0.9
137.04718	0.6
137.05916	0.5
138.05508	100.0
139.04207	0.2
139.05865	2.9
143.03381	0.2
152.07045	0.3
155.07045	8.1
156.07347	0.2
161.02336	0.3
165.04305	0.3
169.01338	0.9
180.06592	2.6
187.48167	0.2
192.06688	0.2
246.11496	0.2
265.05078	2.4
276.04312	0.4
279.03101	0.2
282.09863	1.0
288.12463	0.5
293.00687	0.2
293.04407	0.5
294.05249	0.2
295.13693	0.2
300.10846	3.3
301.00098	0.3
307.13538	0.2
309.00403	0.3
311.01953	0.3
323.01987	0.8
330.44962	0.2
337.03592	0.3
349.10861	0.7
351.08478	0.3
351.12439	0.9
352.02252	0.2
365.03226	0.3
365.10455	0.3
366.10965	0.4
367.11819	3.5
374.78699	0.2
395.07623	0.7
395.11649	0.7
411.10822	0.9
438.08475	0.5
438.18130	1.3
439.10309	5.6
439.16006	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81671	0.3
55.01513	0.6
55.01756	6.5
57.03323	5.6
58.00457	1.9
59.01250	44.7
60.01591	0.7
61.98675	0.5
67.01774	0.4
68.99667	0.5
69.03333	1.8
69.92141	0.3
71.01254	65.3
72.01575	0.8
72.99179	3.6
73.02819	30.3
75.00743	1.3
81.03301	0.7
83.01261	25.4
84.01599	0.6
84.02061	0.6
85.02824	36.0
85.99961	2.0
86.03188	0.7
87.00734	4.0
89.02317	6.4
95.01261	4.2
97.02824	3.6
99.00757	11.1
101.02322	74.1
102.02659	1.2
103.03899	3.2
111.00759	2.0
113.02332	24.3
114.02686	0.7
115.03887	0.5
119.03391	1.5
123.00810	0.5
125.02335	3.5
127.03908	0.7
127.11192	0.9
128.81293	0.4
129.01868	1.8
129.12723	0.5
131.03394	0.5
141.01849	0.5
143.03387	3.6
145.04938	1.2
159.02910	5.4
161.04465	32.9
162.04823	0.9
163.06020	1.4
169.01340	0.4
199.13309	0.9
205.03471	1.8
224.17567	0.4
229.07155	1.4
242.99644	0.3
247.08203	1.4
291.18134	100.0
292.18451	7.3
335.17059	0.7
437.23914	23.0
438.24228	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	437.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01508	1.0
55.01757	9.0
57.03325	5.1
58.00463	2.2
59.01251	46.5
63.10809	0.6
69.03329	2.3
69.44580	1.7
69.44985	3.9
71.01253	71.9
72.01575	0.7
72.99169	3.5
73.02818	37.8
73.14507	0.6
75.00728	1.5
81.03336	1.0
83.01257	16.5
85.02822	36.7
85.99974	3.6
86.03152	0.6
87.00758	5.0
89.02321	13.6
89.02838	1.2
95.01266	5.6
97.02828	3.7
98.19801	1.4
99.00755	16.0
101.02322	73.3
102.02658	1.9
111.00755	2.0
113.02331	23.2
114.02658	0.8
115.03893	1.9
119.03333	0.9
125.02341	4.9
127.04019	0.6
129.01826	1.9
131.03395	4.2
141.12750	1.0
143.03453	2.9
149.04456	2.2
159.02876	5.5
161.04469	26.7
162.04825	0.8
191.05513	0.7
205.03438	1.3
233.06607	4.0
290.21136	0.6
293.08920	1.4
305.19690	100.0
306.20041	8.2
307.79990	0.6
335.31055	0.8
347.20627	0.7
349.18665	1.2
393.26736	0.7
419.24481	0.8
437.23907	76.4
438.24384	10.0
438.29996	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73957	2.0
59.01255	100.0
63.09323	2.1
63.95696	2.4
68.08300	2.2
69.27457	25.6
117.34621	2.3
120.35938	2.3
140.59708	2.1
172.85973	2.1
262.31448	2.2
267.90793	2.6
283.36356	2.2
343.13568	2.6
437.29413	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	437.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	6.3
57.03325	5.0
58.00475	2.2
59.01250	40.6
60.01575	0.5
61.98698	0.7
65.64317	0.3
68.99709	0.4
69.03333	2.1
71.01253	67.0
71.57707	0.4
71.58163	0.5
72.01591	0.9
72.99186	3.4
73.02818	34.7
73.99549	0.3
74.03150	0.7
75.00748	2.0
81.03333	0.8
83.01255	15.9
84.02039	0.4
85.02822	34.3
85.99963	2.8
87.00751	4.3
89.02318	11.7
93.03334	0.4
95.01259	4.2
97.02838	2.5
99.00758	14.6
99.04380	0.4
100.01106	0.5
101.02322	67.7
102.02663	1.3
103.03825	0.4
110.10418	0.3
111.00743	2.5
112.01520	0.3
113.02332	23.6
114.02654	0.6
115.03909	2.2
119.03368	0.8
123.04436	0.4
124.92547	0.3
125.02328	3.8
129.01788	1.8
131.03406	4.6
141.01796	0.7
141.12718	1.0
143.03410	3.0
143.14226	0.4
149.04474	2.6
159.02898	4.9
161.04472	23.9
162.04756	0.5
191.05479	0.7
205.03520	1.3
233.06659	3.8
263.66498	0.3
293.08621	1.2
305.19681	100.0
306.20041	8.7
349.18710	0.9
359.22385	1.0
375.25339	1.8
377.23480	1.1
393.26541	0.9
419.24536	2.2
422.86411	0.4
437.23938	72.4
438.24277	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	437.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11872	1.0
59.01244	2.9
68.99695	1.1
71.01261	2.8
71.34028	2.6
87.00746	1.2
89.02332	1.4
107.01248	1.2
113.02378	1.4
123.00764	1.9
125.02334	6.1
133.02838	1.2
145.02887	1.5
161.02422	1.3
163.03828	1.1
168.00574	2.5
169.01352	7.5
173.02359	1.4
175.03943	1.7
189.01929	5.3
190.02660	13.5
191.03163	1.9
200.00996	1.6
201.01775	1.6
202.02652	3.5
203.03391	3.9
214.99695	1.4
215.17142	1.2
217.01353	2.4
218.02188	14.3
219.02872	2.3
222.01605	1.6
228.00546	2.8
229.01349	7.7
230.02168	1.5
231.02983	1.3
245.00885	3.3
246.01508	2.2
247.02577	1.9
256.00140	1.4
257.00937	15.1
258.01602	3.7
273.00430	3.6
274.01193	100.0
275.01956	67.3
276.02228	4.3
300.99948	3.7
392.27963	1.1
437.07263	99.2
438.07727	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	437.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24609	5.2
58.17830	4.4
59.01253	100.0
64.04726	4.8
65.91599	4.8
68.96318	5.5
71.56295	4.8
76.38994	4.3
84.48752	4.9
92.50993	4.7
93.83009	5.1
99.72725	5.8
101.64067	4.4
158.68015	4.8
206.06366	4.7
305.92358	4.8
437.29156	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	437.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80349	1.2
59.01250	100.0
70.31943	5.3
367.98892	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	437.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77972	3.3
100.42757	0.6
106.04122	1.9
107.13960	0.6
125.02285	1.0
134.03690	0.7
145.02803	0.7
161.02324	1.3
169.01273	1.0
173.02319	1.6
174.03099	1.8
175.03954	0.9
177.01801	0.7
179.03362	0.7
183.07390	0.6
184.95389	0.6
185.02394	1.5
186.36945	0.7
187.04175	0.6
189.01852	8.0
190.02643	27.9
190.04359	1.6
191.03175	2.3
200.01089	1.7
201.01863	3.6
202.02672	5.2
203.03416	2.4
205.01265	1.0
213.01929	0.8
217.01385	3.3
218.02168	20.7
219.02704	2.3
222.01624	3.5
228.00589	6.5
229.01372	10.4
230.01877	1.0
231.02853	1.5
245.00873	5.1
246.01654	3.4
247.02312	1.2
256.00177	2.3
257.00900	20.7
258.01566	3.7
273.00397	2.5
274.01190	100.0
275.01950	55.2
275.05151	1.4
276.02328	5.2
300.99875	1.0
417.19052	0.7
437.07245	98.4
438.07590	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	435.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63884	0.4
52.51591	0.4
55.01744	0.6
59.01252	100.0
60.01578	1.0
64.52354	0.5
69.69810	3.4
71.01249	3.7
73.02842	1.2
83.01259	1.1
85.02832	2.5
89.02341	0.8
89.39095	0.5
97.02850	0.8
98.20513	1.1
101.02315	4.5
107.01272	0.8
111.00794	0.5
111.84284	0.4
113.02353	1.9
117.08640	0.5
123.00818	1.5
125.02336	5.2
139.00275	0.8
141.01840	0.5
155.64587	0.4
159.02896	0.5
161.04491	3.0
168.00612	0.8
169.01352	5.4
192.72543	0.6
276.03201	0.6
283.06424	4.9
283.56546	1.2
302.03540	0.8
359.06970	3.7
359.57245	1.3
375.23874	4.8
419.23187	0.9
421.13907	0.5
435.07639	1.3
435.13181	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.8
59.01251	25.5
69.62599	4.7
69.63019	5.2
71.01250	16.6
73.02804	3.7
77.06380	1.5
77.82048	1.4
83.01258	2.2
83.04881	3.4
85.02837	6.8
87.00774	2.1
87.04369	2.2
89.02313	9.6
93.03329	1.6
93.07002	1.8
95.01266	2.4
95.87897	1.4
96.04013	1.5
96.95832	1.5
97.02784	1.4
99.00771	1.5
101.02309	9.3
106.39347	1.4
109.06487	3.7
111.00739	3.1
111.08046	5.8
113.02320	6.8
117.05404	2.3
119.03407	3.6
119.04858	1.5
123.00742	2.8
125.02299	2.0
125.05988	1.7
133.02765	1.7
135.06566	7.1
139.00241	2.0
145.02835	3.2
155.07053	100.0
156.07391	2.8
161.02362	2.0
161.04413	4.1
163.03903	1.7
166.99849	1.6
168.00610	1.5
169.01367	4.1
179.05545	1.8
185.24716	1.4
189.01816	4.1
191.03401	1.6
216.00531	3.5
217.01424	8.1
218.01822	1.6
219.02959	1.6
244.00133	4.5
245.00923	11.6
247.02426	8.6
271.99640	12.0
273.00406	30.9
274.00766	2.8
279.10916	2.0
297.11899	17.9
298.12167	1.8
385.93927	1.5
435.05655	25.6
436.06052	5.4
458.00430	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	435.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.7
59.01253	15.7
60.99147	0.9
69.01919	1.0
69.03324	1.0
69.53345	3.0
69.53767	4.7
71.01255	11.8
72.44247	0.9
72.99168	1.8
73.02831	1.6
73.12910	0.9
81.03349	1.4
81.06940	1.2
83.01275	1.7
83.04909	1.8
84.09418	1.0
84.70232	1.0
85.02815	4.1
87.00754	1.0
89.02335	8.0
93.03326	1.5
93.06957	2.8
93.33363	1.0
95.01275	1.4
96.95900	9.1
97.23269	1.0
98.20480	2.4
99.00790	1.0
99.04376	1.2
101.02321	7.0
109.06482	4.6
111.00753	1.7
111.08018	7.2
113.02331	6.6
119.03371	3.4
121.02845	1.4
123.00760	2.9
125.02344	3.7
125.06026	1.9
135.06529	4.5
137.02338	1.6
137.05980	2.5
139.07660	1.1
143.03386	1.6
155.07048	100.0
156.07391	3.1
161.04460	1.7
166.99702	1.3
169.01300	6.2
177.01907	1.1
179.05452	2.4
189.01820	2.0
193.03307	1.3
216.00687	1.3
217.01358	2.9
245.00835	3.9
247.02585	4.9
269.02954	1.3
270.03778	2.9
271.99530	5.5
273.00351	9.8
274.00806	1.7
279.10846	3.0
297.11954	12.1
298.12485	1.3
313.05701	1.7
435.05237	6.8
436.05798	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.8
58.00456	0.4
59.01250	20.1
65.54917	0.6
67.01765	1.4
69.03321	1.3
69.10127	0.4
69.37189	1.7
69.37608	2.8
70.97995	0.5
71.01254	10.4
72.99167	1.0
73.02825	2.9
79.01759	1.2
83.01257	2.0
85.02819	3.4
87.00776	1.5
89.02325	2.8
91.01739	0.7
95.01270	3.4
97.02818	1.3
98.20512	1.0
99.00748	1.7
99.55941	0.5
101.02309	6.2
107.01277	8.6
108.02392	0.5
109.02852	1.1
109.99895	0.5
111.00755	3.2
113.02329	3.6
120.50854	0.5
121.06481	35.6
122.06815	1.4
123.00767	17.3
124.01601	1.5
125.02335	44.9
126.02652	0.6
127.00278	1.1
135.00737	1.3
136.98689	1.3
137.02321	0.8
138.05487	1.5
139.00269	4.0
140.01079	4.4
141.01854	3.3
141.09200	0.6
151.00276	12.0
152.00629	0.6
153.01831	1.9
154.18304	0.5
161.04463	1.4
165.01901	0.6
166.99886	0.5
167.03397	0.7
168.00589	4.0
169.01337	55.7
170.01622	1.5
211.02411	1.2
241.03539	0.6
253.03494	0.9
255.71765	0.5
289.16599	2.0
313.05630	13.8
337.57620	0.5
432.77994	0.6
435.12927	100.0
436.07254	0.7
436.13217	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	435.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13694	0.4
55.01754	0.6
59.01253	15.5
60.01585	1.0
61.01668	1.0
61.98701	3.8
63.17560	0.5
63.18804	0.5
67.01757	1.4
67.23409	0.4
68.99665	0.5
69.03331	1.0
69.47144	3.8
71.01250	6.0
72.99181	1.2
79.01765	1.4
83.01261	1.4
85.02801	2.5
87.00760	0.5
89.02322	3.1
94.54041	0.5
95.01276	2.6
97.02820	0.8
101.02303	3.1
107.01269	5.6
111.00763	2.3
113.02306	1.8
119.03429	0.8
121.02857	2.2
123.00775	21.8
124.01575	1.7
125.02342	22.4
126.02709	0.6
127.00275	1.0
135.04459	2.7
136.98706	1.7
139.00276	7.0
140.01079	5.0
141.01862	2.6
151.00276	13.6
153.01859	1.3
161.04509	0.5
167.03294	0.6
168.00557	5.1
169.01340	23.2
170.01706	0.8
200.90559	0.6
211.02426	6.2
271.04599	5.2
287.01859	0.6
313.05704	1.7
435.13049	100.0
436.13422	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.0
57.03307	0.6
59.01255	5.0
65.00190	0.6
67.01758	1.5
68.99696	1.1
69.27737	1.8
69.28161	3.7
71.01256	6.6
72.99192	1.2
73.02819	2.3
76.18122	0.5
79.01764	1.8
83.01269	1.9
85.02819	3.9
89.02316	0.9
91.61268	0.4
95.01260	3.4
96.00571	0.5
97.02822	1.3
99.00764	1.5
101.02299	3.1
107.01298	5.0
109.99968	0.6
111.00756	4.3
113.02323	2.2
115.73119	0.5
117.90692	0.4
123.00772	25.5
124.01601	2.4
125.02341	21.5
126.02787	0.6
127.00255	1.6
136.34251	0.5
136.98682	2.4
139.00266	7.2
140.01047	6.3
141.01830	3.4
151.00279	14.8
151.03931	0.8
153.01895	1.4
154.99762	1.0
168.00591	5.2
169.01346	26.8
181.04921	0.6
198.94611	0.5
211.02412	1.2
301.03027	0.5
313.05692	1.4
435.12982	100.0
436.13235	10.5
439.18707	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15706	0.5
57.03328	1.8
58.99379	0.5
59.01250	6.4
60.01581	0.8
65.00211	1.5
66.87917	0.5
69.49962	0.5
69.50323	0.5
69.58107	3.0
69.58533	0.9
71.01258	0.9
71.23852	0.5
80.50648	0.5
81.03326	12.3
81.03763	0.9
83.01257	4.7
93.03343	8.0
98.19768	0.7
107.01248	1.3
119.04922	11.1
123.04413	32.8
124.04795	0.8
125.02348	14.4
135.04434	1.5
149.02354	2.3
151.00258	3.3
164.95709	0.6
166.02585	0.7
167.03419	90.3
168.03758	3.1
179.03442	7.4
189.05463	1.7
191.03348	1.3
211.07611	0.7
214.66536	0.6
229.08566	0.7
255.06656	0.9
273.07687	100.0
274.08032	8.1
295.15125	0.5
297.07632	0.7
315.08780	0.7
320.58734	0.5
435.12808	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63279	1.2
59.01263	8.2
68.14235	1.2
69.31271	1.2
69.81814	7.6
71.01248	4.9
89.02326	2.9
89.94288	1.3
98.20499	1.6
101.02319	4.7
107.01273	6.1
113.02305	2.4
121.05001	2.3
121.57956	1.5
123.00770	14.1
125.02338	18.9
139.00266	3.6
150.03169	1.6
151.00269	9.2
161.04416	2.2
165.05444	3.0
168.00562	3.3
169.01360	26.2
205.56581	1.3
211.02501	3.8
212.02773	1.5
220.88260	1.2
271.04617	5.5
313.05716	3.6
331.06680	2.1
435.11417	100.0
436.11682	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	434.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49279	1.2
52.08922	1.1
55.01751	1.2
57.03333	1.4
59.01253	100.0
60.01585	17.4
61.01675	19.6
61.98704	80.9
63.63865	1.0
67.01762	2.2
67.51988	1.0
67.57071	1.2
71.01250	16.3
72.01621	1.9
72.99200	2.3
73.01682	1.4
73.02806	2.9
75.03275	1.0
79.01763	2.4
81.02882	1.0
81.03387	1.4
83.01277	2.2
85.02837	4.5
86.03183	1.5
87.00746	1.2
89.02321	5.0
89.45373	1.0
95.01232	5.0
96.01550	1.1
97.02843	1.8
99.00729	1.4
101.02321	10.0
102.02650	2.8
103.02757	1.9
107.01293	5.6
111.00780	2.8
113.02355	4.6
121.02852	3.8
123.00769	24.8
124.01579	2.5
125.02349	24.2
127.00380	1.1
135.04427	4.2
136.98755	1.2
139.00264	7.8
140.01044	5.9
141.01826	3.6
142.27353	1.0
146.03186	1.1
151.00287	15.0
159.02933	1.0
161.04472	4.3
162.04811	1.4
163.05019	2.6
164.05211	1.5
166.99750	2.7
168.00572	5.9
169.01332	30.9
184.61470	1.2
193.01329	1.2
211.02411	7.1
243.10020	1.1
256.03314	1.7
271.02219	2.4
271.04727	3.1
272.02933	3.8
286.01202	1.8
300.02774	3.0
300.99551	2.9
301.03152	6.9
302.00284	1.2
302.03738	3.3
313.05731	1.9
372.21027	2.4
373.21182	3.1
374.21646	12.1
402.01968	1.9
402.08929	1.0
407.48856	1.1
434.08035	4.7
434.12393	3.9
435.13153	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.296
Annotation	Stolonic acid A
Peak:m/z	Relative Intensity
57.15920	0.6
59.01250	12.8
60.99187	0.7
65.02225	0.6
69.03329	28.3
71.04886	0.8
71.05479	0.8
71.05843	1.5
72.64113	0.7
78.95779	6.6
79.22769	0.7
87.04393	16.0
96.58621	0.7
96.95894	0.8
113.02335	26.9
114.02688	1.3
131.03387	4.9
152.98479	0.8
152.99512	8.9
161.02315	1.8
189.00038	0.7
205.16240	0.7
243.02927	0.8
271.02463	1.0
299.99011	5.4
300.02753	2.3
300.99780	3.3
301.03473	1.8
301.25314	1.7
327.26901	1.0
329.28552	0.8
338.25766	0.7
345.31747	3.9
361.27188	0.9
371.29578	5.0
380.32184	0.7
389.30536	13.4
390.30878	1.6
415.28494	41.1
416.28738	5.4
433.03986	3.2
433.29422	100.0
434.24600	1.3
434.29861	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	433.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.9
59.01257	3.6
65.03835	3.0
69.03313	4.1
71.15018	4.5
72.67063	1.6
78.95795	3.8
85.06491	2.2
93.06972	4.7
99.08040	27.1
121.10036	2.0
127.07517	16.1
128.07921	1.9
129.04431	1.8
137.05978	21.2
145.08607	100.0
146.08923	3.7
155.07054	24.8
167.10689	66.5
168.11063	3.6
202.57111	1.7
257.34360	1.9
265.14270	2.0
283.15515	14.1
293.09796	1.9
299.99350	2.2
433.32718	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	433.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01589	1.3
62.18346	0.5
71.01262	10.7
71.01659	0.6
72.99198	0.9
73.02827	2.0
75.16882	0.5
76.85477	0.5
83.01284	1.6
85.02831	3.4
89.02319	6.5
95.01320	1.1
96.95901	1.0
99.00777	1.0
101.02329	7.2
103.55954	0.5
106.08147	0.6
113.02334	4.0
119.03396	2.9
125.02310	0.9
151.00305	1.3
151.74144	0.5
161.04466	5.4
163.00346	2.6
164.01010	1.1
165.01851	0.9
177.99080	0.7
183.03029	0.7
193.01247	1.0
206.99306	0.7
208.00027	3.0
209.00896	0.8
216.00618	0.9
218.99268	0.7
221.00923	2.4
222.01695	3.3
235.15552	0.6
243.02895	1.0
244.00165	0.7
255.03024	2.0
270.09079	0.8
270.99533	0.7
271.02432	4.3
271.09869	0.7
271.99963	0.7
272.03079	0.9
299.99258	19.2
300.02856	6.0
300.99957	12.7
301.03494	2.6
302.00195	1.1
357.09866	1.2
373.09644	1.0
373.22272	14.4
373.26648	1.0
374.22845	1.2
433.03714	11.6
433.11133	2.8
433.23987	2.8
434.04562	1.4
434.12109	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2594
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
58.82831	0.4
59.01304	2.0
61.91100	0.4
62.69252	0.4
78.95324	1.0
78.95776	21.6
80.53257	0.5
93.03334	2.0
96.96818	1.8
98.19763	0.8
105.03420	0.3
117.03394	1.3
119.57156	0.4
129.51563	0.4
133.02852	18.9
134.03659	2.0
135.04414	7.5
137.02351	2.1
150.97894	0.4
152.99498	30.1
153.99890	0.5
155.03438	0.9
161.02351	100.0
162.02690	4.8
171.00586	1.0
179.03456	2.0
208.62405	0.4
225.22156	0.6
229.49887	0.6
271.02380	0.7
271.22772	9.2
272.22968	0.6
279.22946	0.6
299.98877	3.3
300.02451	1.1
300.99899	2.4
301.02835	0.8
327.36340	0.4
345.31412	0.8
347.25739	0.6
371.28970	0.5
389.30765	2.7
415.24146	1.9
428.23019	0.4
433.03308	1.5
433.25125	32.9
434.25623	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.7
57.03319	1.7
58.00460	2.3
59.01252	88.9
59.15744	0.8
60.01591	1.1
65.09332	0.8
69.03316	1.1
69.28765	5.4
69.29169	2.3
71.01254	64.2
72.01572	1.5
72.99173	4.1
73.02823	19.7
75.00749	1.0
76.08326	0.7
83.01252	3.6
85.02826	10.0
87.00772	4.1
87.01196	0.7
89.02318	100.0
90.02644	1.5
95.01264	2.2
97.02822	2.6
99.00758	30.2
100.01096	0.8
101.02324	40.7
113.02328	18.0
119.03402	13.3
120.18323	0.9
121.69976	0.7
125.02330	5.5
125.68336	0.7
131.03401	15.5
133.58887	0.7
143.03426	3.3
149.04460	43.7
150.04840	0.9
161.04477	5.3
179.05569	4.7
185.54897	0.7
191.05545	10.7
199.49014	0.7
227.03441	1.1
227.16512	2.2
233.06638	2.1
243.02988	1.1
251.07736	2.1
255.03069	1.1
271.02536	1.5
272.02505	0.9
276.01910	0.9
299.99121	5.6
300.02744	3.2
300.99915	3.2
301.03427	2.6
301.16528	5.3
356.08347	0.8
357.08984	3.9
358.09293	0.9
389.11536	3.1
401.07877	1.6
432.26645	0.8
433.04004	1.8
433.10187	5.5
433.20807	10.6
433.25687	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	433.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.3
55.29623	0.6
57.03320	1.4
58.00482	1.1
59.01252	100.0
60.01580	1.6
71.01256	17.2
71.58160	0.6
71.58582	0.8
71.71001	0.7
72.01540	0.6
73.02813	6.1
81.03355	0.7
83.01283	1.8
85.02822	5.8
87.00776	1.2
89.02320	14.6
95.01259	1.2
99.00777	4.4
101.02328	13.7
101.04150	0.7
108.02051	15.4
109.02867	2.5
113.02332	6.3
119.01261	0.8
119.03378	3.5
125.02355	2.7
130.99608	0.6
131.03419	1.2
143.03487	0.9
149.04419	3.6
151.00359	1.5
151.03880	0.8
152.01077	9.6
153.01834	3.2
155.10742	0.8
159.02971	1.1
161.04471	4.8
163.00325	2.2
165.01915	0.8
167.03525	1.1
169.01405	1.4
178.99783	0.8
180.00636	2.1
191.05534	1.4
200.01122	1.1
205.01442	0.7
206.99387	1.0
209.15508	0.8
216.00517	1.3
221.00912	0.8
222.01630	1.1
227.16470	8.1
229.01457	1.1
239.02005	2.4
243.03004	2.7
243.99965	0.9
245.00987	0.8
253.18047	0.9
255.02985	3.0
256.03271	0.7
259.99750	1.6
267.06668	0.8
270.99570	1.0
271.02594	5.6
271.05896	1.1
271.15704	1.0
271.19086	0.8
299.99240	26.7
300.02838	9.9
300.99963	19.3
301.03464	4.3
302.00317	2.2
339.05176	2.7
344.75369	0.7
361.13068	1.1
373.22339	7.6
389.12549	1.3
401.07300	1.3
415.24026	0.9
433.03491	12.4
433.11203	7.0
433.24414	19.3
434.04526	1.4
434.11920	1.5
434.25137	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01563	1.4
61.43399	1.0
69.44193	1.0
71.01251	3.8
71.56955	1.2
75.89486	0.9
79.73721	1.0
85.02832	2.1
89.02340	2.7
95.01258	1.7
101.02337	0.9
101.47172	0.9
111.00736	1.7
113.02351	1.2
119.04963	1.1
123.00803	1.2
125.02335	2.7
139.00287	1.2
141.04346	1.1
147.00813	1.3
161.02336	3.4
163.03909	1.3
166.99759	1.5
169.01389	2.7
177.12321	1.0
181.04933	2.8
185.30075	1.0
189.01865	1.7
190.99773	1.2
191.03465	1.5
196.03668	1.4
196.07332	3.9
211.09691	9.2
214.99762	2.8
216.00453	1.4
217.01450	3.1
219.02815	1.7
233.00987	1.0
242.02187	1.1
242.99210	1.5
255.05261	1.0
259.99527	1.5
261.00253	1.4
263.01993	2.5
270.07437	1.6
273.00351	1.3
274.98480	1.2
286.98422	2.3
289.00113	1.4
297.12061	1.1
299.99060	2.1
300.99966	2.0
405.04703	2.3
419.10507	1.1
433.04010	8.3
433.13254	3.1
434.04538	1.7
451.18207	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95536	0.3
57.03320	0.7
59.01252	8.7
61.43932	0.3
63.02267	4.3
64.99845	0.6
65.00195	11.5
68.99693	0.6
69.23615	0.4
69.23940	4.1
71.01244	2.1
73.02827	0.4
81.03342	0.4
83.01259	9.2
85.02827	0.6
89.02324	0.7
93.03336	5.4
95.01257	0.6
96.95910	0.3
99.00761	0.8
101.02324	0.9
107.01273	19.8
108.01581	0.6
109.02841	0.5
113.02295	0.8
117.03371	1.4
119.04918	34.9
120.05193	0.8
121.02872	0.7
123.00761	0.7
124.57138	0.3
125.02344	3.8
133.02823	0.3
137.02328	0.9
143.04924	1.1
145.02850	4.7
149.02324	0.6
151.00275	64.0
152.00609	2.0
157.06534	0.4
161.04485	0.5
161.05984	1.2
163.00270	0.5
165.01849	5.7
169.01340	6.7
176.01016	0.4
177.01855	5.2
178.99756	0.6
185.06027	2.8
187.03925	3.2
193.01379	0.5
199.07585	0.6
209.06104	0.5
225.05530	0.4
227.03506	0.7
227.07082	3.5
228.03880	0.5
229.05069	0.5
243.02972	0.9
246.98901	0.7
253.05066	0.8
255.02965	1.9
267.06836	0.4
269.04526	0.5
271.02771	3.8
271.06110	100.0
272.03424	0.3
272.06461	7.4
285.03833	0.4
286.04099	0.7
295.06113	0.5
299.99124	4.6
300.02740	5.6
300.99850	3.7
301.03485	2.5
301.16608	0.7
313.05420	3.9
371.07504	0.4
389.08792	0.5
401.08618	0.5
433.03937	1.4
433.11902	8.2
433.20187	0.7
434.12082	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1352
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
59.01255	6.3
67.01759	1.2
70.80163	2.8
71.01246	6.2
72.99150	1.2
73.02818	3.1
76.97968	0.9
79.01769	1.3
83.01288	1.1
85.02808	4.1
87.00728	1.2
89.02324	1.6
93.03938	1.0
95.01275	1.5
99.00769	1.1
101.02316	4.4
107.01259	4.7
111.00747	3.2
113.02343	3.2
119.03380	1.5
123.00769	18.2
125.02346	22.2
135.04413	1.0
136.98706	2.1
139.00255	4.8
140.01050	4.1
141.01816	3.5
151.00276	12.6
155.13011	1.1
161.02345	2.7
163.04031	1.1
164.00911	1.2
166.02641	1.1
168.00551	3.9
169.01335	28.7
170.34866	1.0
173.02304	1.4
189.01912	2.4
191.03381	2.3
200.00662	0.9
211.02481	2.8
233.01003	1.1
237.73082	1.0
240.50647	1.2
245.00824	1.9
261.00327	3.0
263.01926	2.3
271.04599	3.1
288.99854	3.5
313.05640	2.1
318.96185	1.2
373.69095	1.1
382.41986	1.1
433.13483	100.0
434.13834	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	433.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	6.3
61.21437	0.3
63.02252	0.4
65.00189	2.5
65.03816	0.6
67.01750	0.9
68.99671	0.4
71.01258	1.7
71.37767	0.4
72.57822	0.4
73.02785	0.4
80.02558	0.6
81.03328	2.6
83.01244	1.9
85.02812	0.7
87.00742	0.5
91.01756	0.8
93.03329	2.1
95.01249	1.2
101.02306	0.9
107.01270	0.5
108.01367	0.3
108.02067	2.3
108.99218	0.5
109.02839	9.3
109.99990	0.6
111.00752	1.4
113.02296	0.5
119.01290	0.4
120.99170	1.0
123.00774	2.7
124.01524	0.9
125.02299	0.7
125.99532	0.7
135.00737	0.6
136.01546	1.3
137.02345	53.1
138.02635	1.7
139.00255	3.3
145.02824	0.4
149.02286	0.4
149.99466	0.7
151.00301	3.7
153.01828	0.9
155.03409	2.5
161.02428	0.4
161.04428	0.5
163.00284	11.8
164.01060	18.5
165.01843	64.1
166.02168	2.3
176.01085	1.0
177.01912	0.9
178.99779	13.7
180.00526	3.9
189.01765	0.4
190.02568	0.7
191.03441	1.1
202.02530	0.4
203.03442	0.3
206.99307	5.8
208.00070	90.1
209.00838	100.0
210.01212	4.2
218.02115	0.5
221.00999	0.4
222.01688	0.5
227.03580	0.3
229.01414	0.4
243.02954	0.5
245.00818	0.4
246.99039	0.5
249.04109	0.5
255.03030	0.8
267.82571	0.3
271.02484	1.9
297.07706	0.8
299.02066	0.4
299.99203	4.5
300.02841	3.3
300.05649	0.4
300.99942	2.8
301.03528	1.6
313.10602	0.4
329.10199	0.5
335.12888	0.8
357.09818	3.1
373.09424	1.2
374.09830	0.4
389.12479	2.4
401.08640	2.2
402.08975	0.4
433.04379	1.6
433.11627	11.7
433.28491	0.4
434.04547	0.6
434.11932	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49788	0.3
51.81097	0.3
60.12328	0.2
63.02259	0.6
65.00188	1.1
71.37624	0.6
71.37978	0.3
83.01257	0.9
91.01740	0.3
93.03314	0.5
107.01283	3.0
108.02066	1.8
109.02847	1.8
113.27652	0.2
119.01278	0.6
121.02831	1.6
124.01502	0.4
125.02358	0.3
135.00735	1.0
137.02406	0.3
147.00801	0.3
148.01573	1.7
149.02351	0.5
151.00290	11.2
152.00853	0.3
153.01749	0.4
163.00313	3.2
164.01064	1.2
169.01335	0.8
174.03120	0.3
178.99792	6.3
183.04413	0.5
187.03931	0.5
192.00595	0.4
196.80858	0.3
198.03133	0.7
199.03944	1.2
201.01741	0.3
201.05487	0.7
211.03978	1.5
214.02541	0.4
215.03464	0.9
216.04182	0.7
226.02771	2.2
227.03429	4.2
228.03912	0.6
229.04951	0.6
239.03476	0.4
243.02956	13.3
244.03354	1.3
245.04448	1.9
254.02216	2.9
255.02983	25.6
256.03452	1.8
257.04422	0.3
271.02478	65.9
272.02930	6.0
273.03967	0.9
283.02396	1.8
299.01880	1.4
300.02750	100.0
301.03491	61.2
302.03839	3.9
343.04681	0.3
418.98004	0.3
433.07751	55.2
434.08096	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	433.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11912	0.6
54.47049	0.5
59.01246	1.8
65.00195	2.3
66.64613	0.6
68.99686	0.9
69.85650	2.9
70.98668	0.5
71.01241	0.9
83.01273	1.1
93.03342	3.3
95.01249	3.5
98.20474	0.9
99.00744	0.7
107.01244	1.6
109.02826	1.4
109.99964	1.7
111.00773	2.9
117.03352	0.7
121.02858	1.1
122.90202	0.6
123.00763	1.8
123.04381	0.8
124.01593	1.2
125.02376	2.6
133.02794	0.8
135.00764	1.5
136.98726	2.2
137.02359	1.2
137.99521	1.0
139.00307	1.3
143.04927	0.9
147.12228	0.5
148.01604	1.7
149.02321	0.8
151.00278	7.8
152.01076	3.8
152.87152	0.5
153.01828	0.8
155.04994	0.7
159.04419	1.2
163.00270	2.6
165.99020	1.4
166.99767	1.5
167.04915	0.6
169.01323	1.3
171.04433	1.9
173.06039	1.0
175.03896	1.0
178.99818	4.5
182.18849	0.7
183.04443	2.9
185.05934	1.0
187.03938	2.7
198.03200	1.6
199.03951	3.3
200.04660	1.5
201.05502	1.0
209.01009	0.6
211.03886	3.3
213.05362	0.7
215.03491	3.1
216.04195	1.1
226.02736	2.0
227.03458	11.9
227.06865	0.8
228.04037	1.6
229.01266	0.6
229.05003	2.2
231.03008	0.8
239.03505	1.0
243.00453	1.3
243.02977	21.6
244.03496	2.3
245.04604	0.8
254.02229	2.2
255.02971	45.5
256.03497	4.9
257.04547	10.0
263.79666	0.7
265.07059	0.8
271.02481	58.7
272.03171	14.4
273.03857	3.2
283.02512	8.7
284.03134	0.9
285.04007	1.1
299.01941	1.1
300.02734	69.6
300.99905	2.5
301.03439	33.0
302.03976	2.3
313.05783	2.4
322.79230	0.7
352.00928	0.7
389.08862	1.1
405.08304	0.8
415.06592	1.4
429.61343	0.7
433.07776	100.0
434.08124	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	433.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
62.90881	0.7
65.00190	1.2
69.24094	7.4
83.01250	0.9
107.01249	2.7
108.02040	2.5
109.02820	1.7
118.93124	0.8
121.02840	1.7
135.00754	1.7
148.01524	2.5
151.00275	7.0
163.00258	3.2
164.01050	1.2
177.36458	0.7
178.99754	2.5
183.04524	1.0
192.12057	0.6
199.03975	1.5
201.05394	0.7
203.03476	0.8
211.03915	1.5
215.03458	1.4
216.04185	1.0
226.02704	2.1
227.03404	4.5
243.02979	16.7
244.03429	1.0
245.04456	1.0
254.02090	2.4
255.02991	32.6
256.03220	1.8
271.02484	79.4
272.02863	6.1
288.03055	0.7
299.01880	2.0
300.02740	100.0
301.03455	36.5
302.03925	2.1
398.96429	0.8
433.07748	81.2
434.08212	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	433.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83636	0.3
59.01235	0.9
71.01244	0.7
71.45287	0.3
85.01121	0.3
98.19739	0.4
111.00769	0.4
119.26814	0.3
123.00799	0.2
124.01563	0.4
127.00176	0.2
132.02036	0.4
136.98642	0.4
139.00272	0.5
140.01071	1.2
145.02907	0.5
155.06990	0.3
157.02838	0.3
160.01567	0.3
168.00571	4.1
169.01317	0.8
172.01553	1.5
173.02312	0.3
176.01163	0.3
185.02390	1.1
188.01088	0.7
199.00200	0.4
200.01083	1.9
201.01826	0.7
216.00632	2.7
226.99716	0.6
228.00545	1.5
229.01338	1.4
242.99240	1.5
244.00067	2.9
245.00911	0.4
254.99353	0.3
257.00848	0.7
270.98819	0.8
271.99628	2.0
273.00281	0.3
282.98828	0.7
283.99698	0.7
298.98343	0.7
299.99106	100.0
300.99838	53.0
302.00223	2.9
314.06424	0.8
329.05170	0.7
433.04105	66.8
434.04388	7.5
434.10315	0.4
442.01129	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19939	0.8
55.01748	1.2
57.03315	1.5
58.00472	1.0
59.01255	28.2
60.01588	1.0
69.03329	1.4
70.11443	5.1
71.01255	18.7
72.00802	1.0
72.99193	3.9
73.02816	2.6
75.00758	4.5
83.01278	2.8
85.02840	7.4
86.02363	1.9
87.00775	4.4
89.02332	10.9
93.03342	3.8
95.01250	1.7
97.02827	1.8
98.02345	1.3
99.00769	3.4
100.86458	0.9
101.02326	10.9
102.01852	3.4
105.01840	1.4
107.01298	1.2
111.00775	2.3
113.02338	6.8
114.01859	1.3
117.01820	1.4
117.05540	1.2
119.03397	5.9
123.00816	4.4
124.01596	1.2
125.02345	13.0
126.02712	2.1
127.00312	1.1
128.03427	6.5
129.01802	1.7
131.03435	1.3
133.02827	1.1
133.62517	0.9
135.04414	1.2
137.02364	8.6
139.00255	1.7
140.01146	1.1
144.02930	1.0
147.04489	1.0
151.00272	2.0
153.09166	1.4
155.10666	1.5
156.02914	1.2
160.01561	0.9
161.02321	1.8
161.04456	3.4
168.00575	3.5
169.01373	15.6
170.01674	3.2
172.01552	1.3
176.01149	1.1
191.03432	1.0
200.01115	1.6
201.01894	1.1
211.02443	8.5
212.02707	1.7
215.07132	3.3
216.00589	2.0
217.01315	1.2
227.16426	1.7
229.01300	1.6
242.99266	2.4
244.00090	3.0
245.00877	2.6
256.02737	1.1
259.06073	1.7
270.17114	9.3
270.98965	1.5
271.04617	15.6
271.99609	1.4
272.04898	1.4
273.00223	1.3
288.99979	1.5
298.98309	1.4
299.99124	100.0
300.99918	32.2
302.00220	1.0
331.06668	1.8
345.09799	1.3
382.02991	1.0
386.19241	1.0
389.05280	3.1
432.02563	1.2
432.10983	1.9
432.15958	10.2
432.22342	12.1
433.04129	64.1
433.16260	2.7
433.21265	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3167
Annotation	CHEBI:86434
Peak:m/z	Relative Intensity
50.27235	2.2
59.01254	21.4
69.04725	1.9
85.69173	1.8
98.20596	2.9
102.72883	1.9
109.40247	2.0
121.10107	6.8
145.08611	12.8
155.07060	7.9
165.09126	7.6
167.10663	2.4
167.43324	1.9
177.51906	1.7
241.28172	1.9
283.15622	5.0
294.83173	1.9
301.81467	2.0
313.25372	2.5
315.26913	2.2
341.28491	3.8
353.28348	4.0
369.31577	5.8
371.20673	4.4
371.29480	49.5
372.29837	6.7
387.32709	60.9
388.32974	6.7
397.35196	1.9
413.30426	12.3
431.31589	100.0
432.32166	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	432.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00985	0.7
59.01251	6.3
66.16656	0.5
69.03342	0.4
71.01257	3.1
72.01595	0.5
72.99176	0.6
83.01297	1.0
85.02820	1.1
87.00786	0.6
89.02313	1.4
93.03317	0.5
95.01252	0.9
96.95868	0.5
99.00810	0.5
101.02312	2.0
103.00792	0.4
107.01264	3.4
109.99998	0.5
111.00750	2.1
113.02310	1.2
123.00760	4.1
124.01590	1.2
125.02340	22.6
126.02655	1.4
127.00227	1.7
131.46352	0.4
132.51974	0.4
135.04469	0.5
136.98698	1.4
137.02307	0.6
139.00259	2.6
140.01077	3.4
141.01805	0.5
151.00249	2.8
152.00629	0.6
155.07014	0.5
165.01849	0.6
166.99840	0.5
167.03383	0.9
168.00562	11.0
169.01343	30.4
170.01730	2.1
183.02904	0.5
205.01384	0.4
211.02431	46.3
212.02844	2.6
227.07048	0.5
229.01292	0.4
241.03468	2.0
271.04590	100.0
272.04919	6.6
299.99078	5.9
300.99777	2.6
331.06693	14.3
332.06992	0.9
345.09808	0.8
389.05151	0.9
431.15494	0.8
432.11917	1.3
432.16199	12.1
433.04108	5.9
433.16580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	3.0
59.01253	19.1
65.03841	2.3
66.11476	2.0
69.03315	7.3
71.01260	6.1
72.99181	7.2
79.64191	2.0
93.06978	8.0
97.06462	12.1
99.08047	28.6
109.06499	2.6
111.08028	3.3
121.10119	37.3
125.05976	58.4
127.07534	12.9
137.05978	23.7
143.07045	98.6
144.07370	2.0
145.08612	83.5
146.08992	4.4
155.07053	49.2
165.09138	61.7
166.09421	2.7
167.10690	57.6
168.11031	4.1
225.45525	2.3
229.34189	2.5
265.69916	2.0
281.13995	8.6
283.15475	19.5
313.25385	3.5
357.27777	5.1
357.31787	3.3
359.33347	3.6
369.27863	24.9
369.31744	28.1
370.28201	3.6
370.32358	3.7
371.29645	8.3
375.29047	5.0
387.32721	5.8
413.30484	12.8
418.08688	2.4
431.31638	100.0
432.32050	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	431.2801
Annotation	Plakortolide N
Peak:m/z	Relative Intensity
53.06881	0.4
57.03318	0.9
59.01252	13.4
60.99157	0.5
70.14069	1.7
71.01251	1.2
71.04900	0.7
71.53970	0.5
74.25201	0.4
80.77621	0.4
83.01250	0.5
85.02837	1.0
85.06399	0.5
86.00556	0.5
89.02338	0.5
96.95895	0.5
97.06439	0.6
101.02357	0.8
113.02302	0.5
121.06474	0.5
124.23042	0.5
139.04015	0.5
161.04352	0.5
301.20959	0.5
329.24771	0.7
336.99680	0.5
341.03214	0.5
343.26468	0.6
353.24881	0.7
359.25943	0.5
367.91611	0.5
369.24048	4.4
369.28406	3.2
371.20810	1.9
371.25864	17.0
372.26181	2.3
387.29108	12.7
388.29501	1.9
413.26981	2.7
431.28024	100.0
432.22925	0.8
432.28452	13.0
454.37915	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62972	0.8
59.01253	100.0
60.01574	0.9
62.30186	0.9
71.01254	12.7
72.99192	1.4
73.02818	2.1
82.33636	0.8
83.01247	1.4
83.16606	0.8
85.02822	4.0
87.00771	1.6
89.02325	11.2
92.03136	0.9
93.03358	0.9
95.01254	2.3
97.02851	1.1
97.68575	0.9
99.00749	1.1
101.02326	7.8
103.60430	0.8
107.01271	1.9
111.00769	1.5
113.02337	5.9
119.03379	4.7
123.00797	4.0
125.02355	8.2
127.00312	1.0
131.03394	1.4
133.05032	0.8
139.00270	2.3
140.01047	1.3
141.01877	1.3
143.03392	1.3
151.00235	3.0
155.07043	2.0
161.04471	4.3
168.00516	1.6
169.01337	8.8
174.66255	0.9
179.05492	1.6
180.93898	0.8
214.99751	1.2
270.98868	1.1
271.04510	1.7
298.98248	1.1
300.02930	0.8
300.99930	2.6
302.00333	1.2
356.62088	1.0
371.20770	2.8
431.02557	2.6
431.15704	17.5
432.15720	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75096	0.2
55.09573	0.2
59.01252	1.4
63.35106	0.2
70.05048	1.0
70.77385	0.2
71.01260	0.2
78.95776	61.3
82.66697	0.2
96.96838	6.7
98.19756	0.2
150.97917	1.5
152.99490	100.0
153.99832	1.8
171.00551	4.3
222.36464	0.2
256.97028	0.2
277.21744	0.6
431.22360	3.4
431.27515	0.9
431.32736	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	431.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40535	0.8
59.01254	14.2
59.38074	0.9
60.97392	2.0
64.73277	0.9
68.77509	0.9
71.01254	2.8
71.57156	0.9
78.95782	1.6
79.95628	0.8
82.12071	0.8
88.23396	0.8
91.86093	0.9
93.00038	9.8
96.95887	4.4
96.96872	0.9
107.50542	0.9
126.70950	0.9
145.02859	1.6
147.08090	2.2
149.09619	2.6
152.99513	2.6
161.04504	0.9
161.09752	1.4
162.10440	1.5
163.11205	37.3
164.11528	1.7
187.11160	2.3
194.09337	1.3
208.11018	4.0
212.96637	1.0
280.14868	1.0
284.76227	0.9
287.50327	1.0
309.22269	1.9
337.21729	100.0
338.22220	16.2
359.29697	5.5
370.21457	21.8
371.21530	4.1
391.28500	2.9
431.22382	3.4
431.32263	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	431.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93791	0.2
59.01256	6.1
60.61831	0.2
62.96289	0.3
71.01265	0.4
71.19793	0.6
73.21532	0.2
74.31891	0.3
78.95778	76.6
87.00767	0.3
96.96840	5.5
101.02335	0.5
150.97951	1.7
152.71584	0.3
152.99493	100.0
153.99828	1.5
160.96027	0.2
161.04480	0.5
171.00545	3.2
206.44977	0.3
250.94106	0.3
277.21707	0.9
371.20709	0.7
387.29047	2.7
430.30380	1.7
431.22034	7.9
431.28012	4.3
431.31720	1.9
432.22449	0.9
432.27902	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49175	1.9
59.01253	32.0
62.44258	2.1
65.87165	2.3
67.01761	2.4
69.27376	4.9
69.27767	24.2
71.01260	27.0
72.99186	4.1
75.00762	4.3
83.01290	3.6
83.04908	2.9
85.02818	6.8
85.68797	2.3
87.00745	4.8
89.02317	32.6
95.01280	6.2
97.02833	2.6
98.20551	5.4
101.02335	14.7
107.01269	6.4
111.00772	5.6
113.02337	12.5
119.03395	13.3
121.37720	2.3
123.00758	11.7
124.01565	3.5
125.02345	51.5
126.02650	3.5
132.79774	2.6
139.00284	6.0
140.01035	4.2
141.01906	2.3
151.00267	4.3
161.04399	6.0
163.07585	2.0
166.99799	2.4
168.00516	12.0
169.01347	100.0
170.01717	4.7
177.01785	2.1
179.05516	18.4
211.02451	16.6
216.04146	2.3
245.00681	2.7
271.02356	2.5
271.04706	32.4
272.04941	3.8
273.05069	5.8
275.01886	2.7
299.99390	3.0
300.99869	6.7
312.99921	3.5
331.06696	3.6
387.02554	2.6
394.99554	2.4
431.02493	3.1
431.15942	42.9
432.16135	5.4
432.62595	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	431.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03096	0.4
52.22380	0.5
55.01748	0.9
59.01253	5.8
61.53945	0.6
63.38865	0.5
65.00213	0.6
67.01764	1.9
69.03383	0.5
71.01267	5.5
72.99174	0.6
73.02817	1.9
79.01769	1.6
83.01268	2.4
83.26413	0.6
83.27105	0.5
84.06193	0.5
85.02836	3.4
87.00757	1.3
88.99744	0.5
89.02293	1.2
92.69215	0.5
95.01275	3.8
97.02819	1.1
99.00759	0.8
101.02339	4.5
107.01266	5.7
111.00781	5.0
113.02360	1.4
123.00774	22.4
123.86095	0.5
124.01569	2.3
125.02344	25.1
126.02747	0.7
127.00281	2.1
136.98721	2.9
137.02397	0.8
139.00276	7.1
140.01060	6.7
141.01872	3.6
151.00293	14.0
152.00624	0.6
153.01865	1.2
163.03873	0.5
165.01877	0.5
166.99785	0.5
168.00581	8.6
169.01349	31.8
170.01808	0.6
211.02437	12.6
245.00684	0.5
270.03906	0.5
271.04584	18.9
272.16730	0.5
300.99844	0.7
313.05707	1.0
322.41342	0.5
331.06723	2.2
333.80173	0.6
431.15628	100.0
432.16016	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	431.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69742	2.0
59.01253	95.9
60.01584	2.6
62.18165	1.9
69.13020	1.9
70.44373	7.7
71.01256	11.5
72.99165	3.6
79.01766	2.4
83.01287	3.3
85.02828	4.5
87.00775	3.0
89.02315	6.4
95.01260	7.1
101.02323	7.6
107.01255	9.9
111.00751	6.6
113.02320	2.8
123.00770	27.1
124.01501	2.4
125.01460	2.2
125.02341	37.7
127.00346	1.9
131.26967	2.0
136.98679	3.2
138.01866	8.0
139.00284	10.1
140.01028	7.7
141.01845	2.7
151.00230	9.9
153.01843	3.2
161.02383	5.2
167.03452	2.6
168.00537	7.1
169.01346	46.8
169.97852	2.0
173.22925	2.0
179.03413	6.5
187.00282	2.0
194.05774	4.2
209.08141	15.3
211.02441	10.8
233.97392	2.0
271.04547	14.9
274.00986	2.3
275.02048	2.9
299.98901	2.1
300.99976	12.7
312.99786	4.5
371.03992	7.0
372.05206	2.3
378.62106	2.2
431.05936	10.3
431.15948	100.0
432.06284	2.5
432.16110	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	431.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15731	0.5
55.01752	1.5
56.31674	0.5
57.03326	1.0
58.00482	1.0
59.01252	100.0
60.01585	1.1
60.47133	0.5
67.01803	0.6
69.03320	1.3
69.51183	3.5
69.51591	1.1
71.01257	23.2
72.69693	0.6
72.99185	6.7
73.02819	13.3
74.00193	0.6
75.00759	1.3
79.87601	0.6
83.01257	5.2
84.70628	0.6
85.02825	10.7
85.69183	0.5
85.99948	0.7
87.00750	4.7
87.04393	0.8
89.02325	13.9
93.03339	2.9
95.01254	1.5
95.04895	0.7
97.02834	1.0
99.00780	2.2
101.02323	25.6
102.02647	0.8
103.03892	6.5
105.03348	1.5
107.01286	1.5
107.04931	1.0
111.00798	0.9
113.02348	7.3
115.03909	1.2
119.03397	5.9
119.04934	0.9
123.00808	2.9
123.04411	51.6
124.01560	0.6
124.04802	1.3
125.02333	8.6
127.03934	1.2
128.74599	0.6
131.03387	2.6
135.04414	0.9
137.02356	0.6
139.00333	0.6
140.01085	1.1
141.01880	0.8
141.79518	0.5
143.03427	3.5
145.04970	1.7
149.05991	0.8
151.00273	1.3
154.74294	0.7
157.82510	0.6
159.02876	0.6
161.04449	4.6
163.00270	0.6
163.04005	0.8
163.06036	19.5
166.99794	1.2
168.00565	1.9
169.01340	10.2
177.01813	0.6
179.05492	0.6
205.07121	4.8
206.07483	0.6
211.02368	0.6
233.56288	0.6
241.05209	0.7
247.08224	0.6
265.09244	1.0
269.00565	0.7
271.04630	1.3
276.89160	0.5
285.04108	2.0
285.09778	18.6
286.10098	0.9
299.11475	1.3
300.99945	1.6
311.02142	0.7
325.07141	0.6
343.08194	1.3
371.20724	2.2
387.07260	1.7
431.06097	5.8
431.15607	76.6
432.15927	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	431.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72120	0.4
55.01763	0.8
57.03347	0.7
59.01254	16.1
60.01585	1.0
61.01681	0.7
67.01770	1.4
68.99676	0.5
69.03317	0.5
71.01260	5.7
71.57650	0.9
72.99191	0.9
73.02828	1.5
76.37714	0.4
79.01778	1.6
83.01285	1.5
85.02834	2.6
87.00763	0.8
89.02345	1.8
95.01276	2.4
97.02848	1.0
101.02341	3.9
107.01266	4.0
109.99982	0.5
111.00751	3.4
113.02361	2.1
119.03365	0.8
123.00778	16.1
124.01569	1.6
125.02338	17.1
126.02678	0.8
127.00289	0.8
131.07095	0.6
133.02808	0.5
136.38318	0.4
136.98729	1.6
137.01198	0.4
137.06003	0.7
139.00305	4.9
140.01068	5.9
141.01883	3.0
141.03363	0.5
151.00287	12.5
151.01523	0.7
151.13361	0.4
152.00647	0.5
153.01894	0.9
154.99831	0.7
155.07117	0.7
161.02158	0.4
161.95064	0.4
163.04008	0.5
168.00545	4.7
169.01360	18.8
169.02838	1.5
170.01631	0.6
185.02356	0.9
191.09853	0.5
196.01564	3.5
213.01933	1.1
217.01463	0.4
223.13353	1.4
225.13913	0.9
240.00621	1.9
241.01410	1.4
242.02281	0.5
245.00917	0.7
246.01559	0.7
267.12488	0.5
268.00137	17.4
268.03610	1.4
268.12897	0.6
269.00916	100.0
270.01294	8.7
271.02344	1.5
275.11316	0.6
285.03912	0.5
293.12396	1.6
298.01202	0.9
299.01938	1.6
311.01999	0.9
313.05640	1.0
343.08273	1.4
371.16135	0.9
387.07257	1.6
431.06537	21.7
431.15524	87.3
432.06909	3.1
432.15851	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	431.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54860	0.4
59.01251	100.0
59.34532	0.5
60.01587	0.8
70.43673	1.0
70.44054	1.7
71.01250	3.0
72.05715	0.5
73.02826	0.9
85.02810	0.7
101.02338	2.1
113.02349	1.4
123.00770	0.7
125.02355	4.6
129.78894	0.5
139.00241	0.7
151.03958	1.1
161.02348	3.8
161.04431	0.6
166.99788	1.2
168.00539	0.5
169.01346	5.3
176.04732	3.0
179.03418	6.0
191.07120	0.8
194.05750	6.4
209.08142	16.2
209.10060	1.0
210.08472	1.3
211.02431	1.2
271.04776	1.9
318.00061	0.5
431.11255	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	431.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12651	1.4
54.76521	1.4
56.47374	1.4
59.01251	46.9
60.49405	1.5
71.01257	19.2
71.57243	2.9
73.02805	4.0
81.74862	1.6
85.02794	3.2
89.02308	18.9
95.01224	6.9
99.04340	1.9
101.02319	17.8
103.03915	2.1
107.01254	6.5
111.00753	4.7
113.02369	8.9
117.05444	3.2
119.03350	7.7
123.00768	16.2
125.02328	27.8
127.00242	2.1
138.01845	2.9
139.00249	7.1
140.01065	3.1
141.01756	2.9
151.00262	5.5
163.05980	4.2
163.34300	1.6
166.99649	3.0
167.03355	1.8
168.00575	9.2
169.01344	40.9
209.08102	4.0
211.02420	29.1
241.03323	1.7
258.71402	1.9
271.04587	42.3
272.04730	2.9
275.01971	2.9
279.10867	16.3
300.99731	3.9
331.06519	2.8
371.04160	2.0
431.06927	4.1
431.11758	100.0
432.12311	9.1
444.00806	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	431.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00992	2.6
59.01252	30.0
62.44327	1.9
62.83980	1.6
64.94518	2.0
67.01773	2.7
69.03304	2.1
71.01250	15.9
72.99199	2.7
83.01242	3.1
85.02823	3.2
89.02316	13.8
95.01281	2.9
98.20610	7.2
101.02301	7.0
107.01272	3.2
111.00763	4.9
113.02313	9.2
117.05437	5.8
119.03387	5.9
123.00769	13.4
125.02345	25.5
139.00262	9.9
140.01042	2.2
142.83656	1.8
144.66907	1.8
145.02808	1.9
151.00278	11.4
157.06258	1.7
166.99763	9.6
168.00516	5.7
168.99945	3.3
169.01337	40.0
185.00795	3.1
211.02446	10.0
217.01512	2.5
222.68440	1.9
230.37335	2.4
271.04605	11.4
275.01971	3.0
279.10846	18.3
300.99805	4.6
313.05655	4.1
397.36172	2.3
407.52783	2.3
413.10684	5.3
427.88980	2.2
431.11862	100.0
432.12457	12.6
441.22675	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	431.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.5
59.01250	15.1
69.34226	1.2
69.34630	4.0
73.02802	0.6
83.01250	1.0
85.02811	1.3
86.95962	0.4
87.00696	0.5
89.02303	1.5
93.03328	0.7
97.99768	0.4
101.02311	1.8
107.01261	1.0
109.02836	0.7
112.53123	0.4
113.02309	1.3
117.03316	0.7
119.03274	0.5
121.02828	1.0
123.04407	0.4
125.02304	1.5
135.00699	0.4
137.02325	1.2
143.04932	0.4
145.02831	1.7
151.00249	1.3
161.02362	0.6
161.04454	1.8
163.00264	1.3
165.01825	0.9
169.01286	1.7
171.30647	0.4
173.54869	0.5
174.03326	0.5
178.99747	0.5
183.04393	1.7
187.03940	1.0
193.01279	0.6
199.03825	0.7
202.99763	0.9
209.00813	1.3
211.03931	2.0
221.00853	1.1
225.05377	0.5
227.03444	80.0
228.03822	6.0
229.05060	2.5
239.03529	1.8
240.03922	0.5
241.04919	0.8
246.98846	2.5
247.99342	0.5
251.12866	0.6
255.02963	89.5
256.03516	14.6
257.04410	1.9
267.02991	0.6
268.03723	0.6
269.04483	1.2
269.13898	1.3
271.02307	0.5
284.03259	70.5
285.03979	44.5
286.04391	4.0
299.01944	0.9
301.03235	0.7
312.02731	0.9
313.03415	0.7
341.02963	0.6
370.06677	0.6
371.20657	1.6
385.02170	1.0
387.07129	0.7
431.09827	100.0
432.10184	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	431.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	12.5
65.00200	1.4
69.46614	7.3
71.01255	2.4
73.02824	2.7
82.65217	0.9
89.02303	1.1
89.64593	0.8
95.01260	1.1
97.02841	3.8
101.02346	2.0
101.10759	0.9
109.02895	1.1
117.03308	1.0
121.02908	1.6
123.00764	2.2
124.01553	1.9
125.02342	2.9
136.01636	1.0
139.00317	1.4
145.02840	1.2
149.02357	2.6
150.03110	3.0
153.01869	9.7
158.03603	1.0
159.04466	0.9
161.02362	1.6
161.04501	2.0
163.00229	1.3
165.01878	2.4
166.99728	1.4
168.00557	1.5
169.01334	1.2
173.02386	1.6
174.03120	4.4
175.03879	1.5
175.07498	1.9
176.01059	1.1
177.01846	3.0
181.01358	11.7
182.02168	5.2
183.02910	6.4
185.02373	1.5
186.03017	1.3
187.04120	1.0
188.04782	1.2
189.01872	2.7
190.02568	5.1
192.00656	0.9
193.01347	6.3
196.54718	1.0
198.03062	1.5
200.01076	2.2
201.01868	1.8
202.02603	4.0
202.99896	0.9
203.03482	1.7
203.07077	4.6
205.01416	1.8
205.08650	9.2
209.06029	2.1
211.03941	2.0
213.01894	1.4
214.02679	3.5
215.03343	1.5
216.00650	1.0
216.04185	1.1
217.01280	1.0
218.02182	3.8
221.00851	9.4
225.05576	1.6
225.09094	1.1
227.03503	3.9
228.00511	4.4
228.04117	2.1
229.01346	3.2
230.02187	3.6
231.02907	1.9
237.09181	1.5
239.03543	1.6
240.04222	1.4
241.01364	2.2
241.05141	2.3
242.02135	3.8
242.05762	0.9
243.02890	3.1
244.03799	1.2
245.00876	3.5
246.01709	1.7
246.98796	2.1
247.06146	2.7
249.07722	3.7
251.03470	1.5
253.05087	2.7
253.08751	1.2
254.02266	1.6
255.02917	3.3
255.10402	1.4
256.03784	2.5
257.00870	6.6
258.01593	7.7
259.02380	3.8
263.03528	1.3
265.05145	0.9
265.08664	1.3
266.02185	1.4
266.05933	1.3
267.03104	1.3
267.06567	1.9
267.10266	1.0
268.03790	1.0
269.00986	2.5
269.04349	1.1
270.01617	1.2
271.02588	4.2
271.09793	2.4
272.03275	1.4
273.00400	3.8
274.01190	49.2
275.01682	3.9
279.03006	4.9
280.03665	2.3
281.04526	5.2
281.08176	2.4
282.01648	1.5
282.05286	1.9
282.08478	1.0
283.02573	4.7
283.09805	3.5
284.03305	5.1
285.00507	1.6
285.03827	1.3
286.01166	4.7
287.01883	5.7
288.02762	2.3
293.04648	1.3
293.08273	1.4
295.02539	1.2
298.04651	1.5
299.01941	10.3
299.09305	3.1
300.02725	9.7
300.99890	3.4
301.03171	1.2
302.00546	1.2
303.01291	4.5
308.03311	4.0
309.03925	4.5
309.07745	7.7
311.02090	1.2
311.09280	7.2
312.02747	7.4
313.03134	1.7
322.04694	1.5
323.05573	2.7
325.03577	6.5
326.04236	3.3
327.08624	4.6
328.99438	3.3
329.99896	1.4
337.07175	8.2
338.07974	4.8
340.05814	1.8
355.08218	100.0
356.04547	1.6
356.08566	12.1
369.09744	3.4
371.20731	2.1
387.10858	70.7
388.11240	8.9
399.01965	1.3
399.07208	27.5
400.07596	3.5
431.09845	79.4
431.22366	4.9
432.10184	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	431.0982
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
58.76860	0.5
59.01252	8.4
64.04224	0.5
68.73888	0.4
80.15337	0.5
83.01288	0.7
87.84313	0.5
89.02361	0.4
97.07972	0.5
101.02319	0.8
107.01259	1.1
125.02335	0.5
132.02045	0.7
151.00279	2.0
163.00311	0.5
164.27698	0.5
169.01302	0.7
183.04434	1.8
185.02370	0.6
187.03816	0.5
199.03909	0.5
211.03918	2.1
227.03453	80.8
228.03792	6.5
229.05005	0.9
229.73267	0.5
229.75453	0.5
239.03487	1.0
255.02974	100.0
256.03522	14.5
257.04614	0.6
269.13879	1.4
284.03262	76.4
285.03894	18.7
286.04376	1.1
327.05136	0.9
337.47452	0.5
343.59674	0.5
371.20712	0.8
431.09827	95.5
432.04272	0.6
432.10162	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	431.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	14.2
61.43846	0.3
63.02248	0.4
73.02825	0.8
83.01245	0.6
84.46861	0.3
84.92519	0.3
85.02814	0.4
88.37501	0.3
89.02360	0.6
94.95090	0.3
101.02326	1.4
107.01264	0.6
113.02317	0.7
125.02340	0.8
131.07034	0.4
133.56816	0.3
151.00279	1.9
155.06996	0.6
161.04475	1.1
171.04376	0.4
173.05980	0.4
183.04536	1.8
187.03835	0.4
202.71414	0.3
211.03934	2.2
227.03455	77.2
228.03809	4.8
229.04980	0.9
239.03479	0.9
246.98816	0.7
255.02968	91.2
256.03522	13.6
257.04367	0.7
269.13940	2.3
270.14334	0.4
284.03262	79.8
285.03906	16.7
286.04355	0.9
327.05054	0.8
371.20844	0.9
416.41406	0.5
431.09821	100.0
432.10184	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	429.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11544	1.1
59.01002	1.2
59.01258	9.2
59.02534	1.0
71.01254	1.3
71.05032	2.3
72.47622	1.2
72.99184	8.8
83.04935	1.5
88.10123	1.1
88.17196	1.0
89.02312	1.2
93.06986	4.0
97.05407	1.1
97.06456	10.1
109.06441	1.0
111.08035	1.9
119.03426	1.4
121.10122	34.6
121.10991	1.8
125.05979	76.1
137.06007	9.9
143.07048	100.0
144.07362	3.4
155.07053	22.2
165.09132	63.1
166.09494	3.3
276.67795	1.2
281.13928	18.7
303.45868	1.4
341.28497	1.6
357.27887	2.0
385.31088	2.5
429.29773	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	429.3374
Annotation	Stylisterol A
Peak:m/z	Relative Intensity
59.01244	2.2
69.27928	0.5
71.22046	0.4
76.86349	0.5
82.61780	0.4
84.55602	0.4
85.07228	0.4
93.93495	0.5
94.21023	0.5
98.19791	1.4
112.62836	0.5
249.81834	0.5
360.43604	0.5
407.43674	0.5
429.33749	100.0
430.34061	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	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11391	0.7
56.11330	0.6
56.69687	0.7
57.03318	2.8
59.01254	100.0
63.59084	0.6
71.01259	14.7
71.58102	1.0
72.99174	1.5
73.02825	3.0
83.01248	4.8
83.04893	1.6
85.02805	3.3
87.00789	2.1
89.02325	13.1
91.91351	0.7
95.01269	1.9
97.02833	1.5
99.00780	2.7
100.24588	0.7
101.02338	10.1
107.01259	0.8
109.06529	0.8
113.02345	7.8
119.03416	5.8
123.00792	1.0
125.02367	5.0
131.03381	1.0
143.53822	0.7
145.02824	1.0
145.08754	0.6
149.05891	0.9
151.05469	0.7
161.04462	1.6
161.09633	2.4
161.13315	1.1
168.00591	0.8
168.28003	0.7
169.01344	6.8
173.02452	1.1
175.03780	0.7
177.01851	1.1
179.05518	3.1
179.10693	1.1
185.02388	0.9
187.11226	2.1
201.01878	1.0
205.12344	1.6
207.10216	3.1
211.03868	0.7
213.01971	0.8
214.99855	1.8
217.01375	1.1
223.11136	1.0
223.13339	19.7
224.13725	1.8
227.03444	6.2
229.01350	2.6
237.27325	0.7
241.12193	0.8
244.00090	1.3
245.00931	1.2
247.02499	2.0
247.13074	0.8
249.11224	1.5
255.02977	11.2
256.03726	0.9
257.00977	2.0
267.12378	15.2
268.12692	0.9
270.98813	1.5
273.00510	1.6
275.01981	1.4
284.00165	1.1
284.03296	5.5
285.00797	1.3
285.03967	5.8
297.07721	0.8
299.99271	1.9
300.99927	5.1
302.00000	0.9
303.01462	4.6
309.00690	0.9
309.13504	1.7
322.30927	0.8
325.07196	1.2
339.14575	0.9
353.06573	1.0
369.06216	1.6
369.15506	3.5
397.05722	2.4
425.06625	0.8
429.08301	42.9
429.17593	2.6
430.08719	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	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00461	0.9
59.01251	100.0
60.01585	1.0
69.31709	5.1
71.01255	14.4
72.99181	0.9
73.02823	0.8
83.01261	1.0
85.02827	2.3
87.00772	0.9
89.02318	19.7
89.65721	0.4
95.01263	0.5
96.00100	0.4
101.02323	5.6
102.12334	0.4
113.02325	5.4
119.03391	8.2
131.03401	0.7
143.03421	0.9
149.04480	0.8
161.04439	1.0
161.09648	1.1
161.13176	0.6
168.10501	0.4
179.05528	3.1
187.11234	1.1
201.80571	0.4
205.12343	0.6
219.28651	0.5
223.13344	4.1
267.12415	2.2
369.15488	1.3
433.51526	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	76.1
60.01556	0.9
62.90592	0.6
67.64883	0.6
71.01265	5.2
71.57833	0.8
71.58214	0.7
85.02822	1.8
87.00774	0.9
89.02310	6.6
96.95888	1.2
101.02316	2.2
108.58270	0.7
111.00723	0.7
113.02325	2.1
117.03367	0.6
119.03387	2.5
125.02332	0.9
145.02864	1.6
151.00305	0.6
155.08401	0.6
159.00822	0.8
161.04526	1.1
168.25815	0.6
169.01399	1.0
173.02469	1.0
179.05594	1.0
185.02425	1.9
187.00201	1.3
201.01808	4.1
206.99800	5.8
216.00616	2.7
223.13396	2.3
225.09106	0.7
227.03473	1.1
228.00873	0.6
229.01392	4.2
230.01801	0.8
230.99309	1.0
232.00098	1.2
239.03503	1.5
240.04440	1.1
243.99982	3.2
245.00893	2.7
252.04242	0.9
253.08734	1.0
254.02107	0.9
255.02934	2.0
257.00900	2.8
267.02951	1.0
267.12390	2.2
269.08209	1.3
270.98746	3.3
273.00363	0.9
280.03986	0.9
281.08130	1.1
282.01611	1.7
283.02451	2.0
283.99625	1.6
285.00302	1.0
296.03281	1.7
297.00494	0.8
297.07758	2.2
298.01102	1.3
298.98123	0.9
299.05597	2.1
299.99164	7.3
300.99884	16.6
302.00278	1.8
303.01450	5.5
304.01895	1.0
307.05780	0.8
309.00345	1.7
309.07733	1.8
311.01816	1.6
324.06424	0.9
325.03696	1.3
325.07193	7.5
326.07767	1.5
327.01434	1.0
327.05179	2.1
337.03494	1.4
351.05136	1.0
353.02869	1.2
353.06714	6.5
354.07236	1.5
355.01111	0.8
357.02612	0.9
357.09744	1.1
369.06107	1.4
397.05539	5.5
398.05707	1.0
410.26324	0.8
411.07193	1.2
429.08249	100.0
430.08585	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	429.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.4
69.36511	0.5
71.57451	0.4
73.61604	0.4
96.95897	1.4
99.00751	1.0
99.92461	4.8
100.93236	2.2
115.91962	100.0
116.91968	5.9
116.92748	5.3
125.54926	0.4
132.92270	0.7
139.02689	0.5
146.76573	0.5
172.95413	6.1
173.84808	0.5
173.95422	0.5
189.74173	0.4
206.01640	0.5
255.23253	1.0
340.82291	0.5
355.15762	0.8
381.17023	0.8
385.30960	0.5
394.11850	0.5
429.19830	3.9
429.26160	0.7
429.34085	11.2
430.19870	0.8
430.33963	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53819	0.4
57.03337	0.6
58.00459	0.8
58.37128	0.4
59.01252	100.0
60.01584	0.7
60.16468	0.4
61.47043	0.3
67.01389	0.3
71.01256	17.4
72.99197	0.7
73.02839	0.7
79.22900	0.3
85.02821	2.4
87.00774	1.4
89.02319	28.9
94.15333	0.4
95.01279	1.2
97.13341	0.4
101.02323	7.6
107.04950	0.5
113.02341	7.4
113.03072	0.7
117.26229	0.3
119.03394	9.7
122.15168	0.4
127.29283	0.4
131.03416	1.2
143.03432	1.6
149.04526	1.1
161.04494	2.6
161.09662	1.0
161.13322	0.9
179.05540	5.5
187.11258	1.3
200.64503	0.4
223.13332	5.8
229.76282	0.4
254.54607	0.4
267.12357	4.7
268.12677	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78285	0.4
55.01760	1.0
55.18497	0.3
57.03326	1.8
58.00467	5.5
59.01252	100.0
60.01600	1.1
69.03328	2.6
69.69988	2.8
71.01256	53.0
72.01591	0.5
72.99182	8.0
73.02821	42.0
74.03175	0.4
75.00751	1.4
80.96404	1.6
81.03340	1.1
83.01264	4.0
83.04867	0.5
85.02827	20.2
85.99963	3.0
87.00754	16.9
87.04390	4.7
89.02320	37.4
90.02670	0.5
95.01283	1.6
97.02841	1.5
99.00765	1.5
99.04362	0.9
101.02326	65.5
102.02701	1.3
102.41281	0.4
103.03890	28.6
104.04244	0.5
107.01286	0.6
108.02074	0.5
109.02856	1.0
113.02326	6.1
115.03908	7.9
119.03394	16.5
123.00787	1.3
125.02344	6.0
127.03909	2.7
129.00130	0.4
130.36203	0.5
131.03404	13.7
131.04393	0.7
132.03815	0.6
133.04965	0.6
135.04454	1.0
139.00256	0.4
143.03410	17.0
145.02757	0.5
145.04962	8.1
152.01143	0.5
161.04530	1.9
161.09607	0.9
161.13237	0.5
163.06041	49.9
164.06378	1.0
169.01341	2.1
174.33075	0.3
177.01794	0.6
179.05531	1.2
187.00269	0.7
187.11200	0.7
188.23854	0.4
205.07117	34.5
206.07420	1.4
207.10077	0.4
214.99832	0.5
215.85507	0.4
223.13365	4.1
265.09338	1.0
267.12363	3.4
273.00412	0.6
283.11874	1.2
343.38596	0.5
429.14035	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	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38658	0.6
52.32835	0.7
55.73611	0.6
57.03323	1.4
59.01254	100.0
60.01588	0.7
66.35561	0.6
70.06124	2.6
71.01252	14.1
71.04904	0.8
73.02817	1.3
85.02838	2.0
87.00751	6.1
88.34433	0.6
89.02319	16.3
89.02837	1.1
95.01289	0.8
97.06467	0.8
98.20943	0.6
100.78381	0.7
101.02328	8.0
107.04919	2.2
111.04437	0.8
113.02338	4.7
119.03381	5.9
120.05727	1.4
125.02431	0.7
131.03453	1.4
135.04477	1.2
143.03435	1.2
146.05469	0.7
154.91243	0.7
155.68311	0.7
159.11711	1.1
161.04416	1.2
161.09641	6.5
161.13275	3.8
163.11229	0.9
179.05589	3.0
185.13390	1.4
187.11227	14.5
189.09151	4.9
203.10756	2.8
205.12279	3.5
223.13351	46.8
224.13757	2.4
229.12239	3.3
249.11368	2.5
267.12384	28.8
268.12665	1.6
269.00909	1.0
291.12561	1.1
309.13474	3.9
339.14536	4.3
369.15549	19.1
370.15887	1.6
391.10550	0.8
429.17590	6.7
430.18387	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21910	0.9
57.03346	1.5
59.01253	100.0
60.01577	1.4
62.02678	1.0
65.14265	0.8
69.41471	4.1
69.41899	4.4
71.01255	10.7
73.02846	2.1
79.76344	0.9
80.90166	0.9
83.01244	1.2
83.04910	1.1
85.02821	2.3
87.00758	4.0
89.02322	9.3
92.50447	0.9
101.02312	7.3
105.36940	1.0
107.04917	2.5
113.02345	3.2
119.03417	3.4
135.04396	1.6
143.03470	1.2
159.11684	0.9
161.04503	3.0
161.09639	6.6
161.13307	3.6
162.13615	1.0
163.00337	0.9
172.94609	1.4
177.01810	1.0
185.13385	1.3
187.11261	10.9
189.09206	3.7
201.01988	2.0
203.10759	2.1
205.12386	2.8
207.10286	1.8
223.13336	40.2
224.13808	3.1
227.03580	4.0
229.01385	1.6
229.12341	2.6
244.00238	1.1
245.00922	1.0
249.11362	2.3
250.94131	1.0
255.02831	4.9
257.00980	1.6
267.12369	28.5
268.12775	1.9
284.03384	3.8
285.00818	1.0
285.04086	3.3
291.12540	1.8
297.07755	1.4
300.99927	5.6
301.03021	1.5
303.01541	3.9
309.13522	4.7
339.14542	4.6
369.15475	14.2
370.15967	1.7
397.05829	1.0
402.58572	1.0
429.08463	38.1
429.16855	5.2
430.08810	4.5
430.67062	1.2
433.23477	1.0
448.93881	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43753	1.3
57.03320	2.4
59.01255	100.0
71.01260	10.8
71.04899	3.1
71.45370	2.4
73.02824	3.0
83.01272	2.1
83.04899	2.4
85.02841	3.0
87.00750	9.4
89.02318	7.1
91.34786	1.4
101.02350	5.4
107.04902	5.6
113.02336	2.7
119.03465	2.4
120.05721	4.4
135.04405	3.0
152.26086	1.7
161.09631	15.4
161.13269	5.3
163.11179	2.2
185.13319	2.0
187.11217	22.4
188.11531	1.9
189.09181	9.4
203.10768	2.2
205.12207	7.4
219.87508	1.5
223.13347	69.9
224.13689	2.9
229.12273	4.5
245.00900	1.7
249.11263	5.2
252.40742	1.6
267.12387	60.2
268.12643	4.6
291.12326	3.5
300.99832	2.1
309.13486	8.9
339.14536	6.7
346.87045	1.7
369.15549	33.5
370.15842	2.9
398.94739	1.6
429.08746	10.9
429.17426	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	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	4.2
59.01254	100.0
60.99194	1.4
69.76080	1.0
69.92249	0.9
71.01251	13.9
71.04918	1.4
73.02815	4.1
80.65775	1.0
83.01270	4.6
83.04902	2.5
85.02801	1.6
87.00766	5.1
89.02324	10.2
92.51144	1.1
95.01293	1.2
98.20654	1.9
101.02334	9.6
107.04927	1.5
109.81019	1.0
113.02345	4.2
118.24603	0.9
119.03386	4.1
120.05727	1.5
131.90639	1.0
135.04475	2.1
143.03400	1.7
161.04555	1.3
161.09651	10.1
161.13309	5.0
162.13531	1.2
163.11212	2.5
169.01309	1.5
170.62332	1.0
172.32333	1.0
185.13370	1.2
187.11224	13.4
188.11490	1.6
189.09160	5.6
203.10622	2.8
203.14241	1.5
204.76064	1.2
205.12288	5.5
207.10182	5.8
214.02716	1.2
223.13350	58.6
224.13719	4.4
229.12297	2.9
229.78137	1.1
232.35701	1.1
247.13498	1.2
249.11295	4.2
267.12384	41.7
268.12726	3.4
269.00946	2.8
270.01489	1.8
291.12305	2.6
304.26068	1.1
309.13443	4.2
314.22238	0.9
339.14270	3.9
341.06500	1.5
369.15549	15.1
377.73065	1.2
425.60611	1.2
429.04443	2.4
429.17508	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	429.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17494	1.6
59.01252	25.2
65.00205	2.8
67.01742	3.8
69.03324	2.8
70.93260	2.7
70.93616	4.7
71.01260	25.1
72.99185	62.9
73.02804	4.7
75.00739	4.9
83.01237	3.3
85.02834	8.8
87.00761	11.2
89.02309	7.2
95.01257	4.8
97.02841	2.7
99.00757	2.8
101.02348	8.7
107.01261	8.9
111.00754	5.6
113.02323	7.1
121.02840	11.5
123.00768	20.5
123.04439	2.3
125.02348	40.8
127.00275	2.2
135.04388	2.2
136.98659	2.8
139.00282	8.0
140.01039	5.8
141.01839	3.6
151.00314	8.6
153.88013	1.8
161.02379	2.8
161.04468	4.0
166.99759	1.9
168.00589	12.7
168.33932	1.7
169.01344	48.8
177.01852	3.3
179.03331	2.4
181.01248	2.0
181.05025	2.4
187.00357	3.3
211.02428	36.1
214.99872	5.0
235.34177	1.8
251.07579	2.0
269.10300	4.1
271.04608	58.4
275.01956	6.3
281.08563	2.0
285.00354	2.3
300.99911	2.2
331.06741	2.9
429.01251	3.1
429.13995	100.0
430.14398	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	429.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	12.5
59.63863	0.9
60.48563	0.9
65.00196	1.2
67.01734	1.6
69.60728	7.3
71.01257	8.4
73.02815	1.5
79.01781	2.0
83.01250	1.6
85.02835	3.6
87.00742	1.3
89.02315	4.3
95.01260	3.6
97.02851	1.7
98.19884	2.2
99.00774	3.2
101.02329	4.3
107.01263	7.6
111.00792	4.5
113.02335	1.9
117.03307	1.4
119.03343	1.4
119.51263	0.9
123.00774	19.1
124.01602	2.3
125.02341	38.4
126.02623	1.8
127.00303	1.8
133.02896	2.3
136.98715	3.1
139.00284	8.0
140.01057	6.6
141.01820	2.5
145.02863	5.6
146.26930	1.3
151.00276	11.0
153.01906	1.2
161.02376	4.3
163.03856	1.2
167.03343	1.5
168.00554	13.0
169.01344	51.0
170.01591	1.7
170.95085	1.1
187.00233	1.6
198.41014	1.0
211.02428	49.7
212.02800	1.8
214.99869	2.4
241.03442	1.4
271.04596	84.9
272.04825	4.5
275.01974	3.7
300.99698	1.5
331.06674	7.9
332.06781	1.1
399.59045	1.0
429.13959	100.0
430.14264	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	429.0825
Annotation	3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone
Peak:m/z	Relative Intensity
53.24802	0.7
59.01249	7.6
65.03826	2.1
71.01248	1.5
71.57133	1.0
73.17682	0.7
89.02341	1.1
93.03335	0.8
93.06973	13.5
101.02311	0.7
113.02348	0.8
119.01241	1.4
119.03385	0.8
121.06487	28.2
122.06855	1.2
123.08124	0.6
125.09612	1.5
139.07539	1.4
147.00684	0.8
153.09117	33.9
154.09439	1.3
172.96524	0.7
173.02321	0.7
177.01869	1.2
183.59592	0.6
190.02719	0.8
193.01431	1.5
201.01855	0.7
202.02628	0.8
217.01299	1.0
229.01279	0.8
230.02142	1.5
243.02849	0.8
245.00916	1.7
257.00888	1.1
258.01489	1.1
270.98401	0.6
274.01245	0.7
281.25845	0.6
297.04037	1.3
297.07590	0.8
325.07205	1.8
353.06512	0.8
369.06189	1.0
385.09216	2.5
397.05646	1.5
429.08249	100.0
430.08615	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71852	0.4
59.01252	8.5
65.00206	0.5
68.99673	0.5
69.60311	1.7
69.60732	2.1
71.01258	1.0
73.02821	0.6
74.86212	0.5
75.90169	0.5
89.02318	1.1
98.09337	0.4
101.02329	1.1
113.02321	0.7
117.03384	0.6
145.02831	4.3
147.00749	0.7
147.04480	0.9
157.02858	0.8
160.01555	0.9
161.02411	0.7
172.01553	0.7
173.02327	1.1
176.00981	0.7
185.02315	1.3
187.00328	0.8
188.01163	0.6
195.66693	0.5
200.01096	1.2
201.01872	3.4
205.01355	0.7
211.03951	0.9
213.01878	0.7
214.99789	0.5
216.00664	3.5
223.13303	0.7
224.04794	0.5
227.03453	1.5
228.00667	1.1
229.01396	3.7
232.00121	1.8
233.01065	0.7
238.02596	0.6
239.03398	0.7
240.04305	1.1
241.08594	0.5
242.99228	0.6
244.00070	3.3
245.00838	2.6
252.04169	0.5
253.05145	0.6
253.08618	0.9
254.02296	0.9
255.03082	1.6
256.00156	0.7
256.07300	0.6
257.00922	2.1
259.02484	0.7
260.92239	0.5
265.05035	0.5
266.02274	0.7
267.03094	0.9
268.03601	0.8
269.01041	0.8
269.08124	1.1
270.98782	1.8
271.99542	1.0
273.00528	1.0
279.03223	0.6
280.03738	1.5
281.08148	2.1
282.01752	2.4
283.02451	2.4
283.99576	1.1
285.00311	0.9
296.03149	2.9
297.00381	1.2
297.04175	0.8
297.07547	2.5
298.08475	0.6
299.05518	2.5
299.99121	10.9
300.99869	18.5
302.00140	1.4
303.01495	4.0
304.01953	0.7
307.06027	0.8
308.06879	1.0
309.00455	2.4
309.07788	2.5
310.08148	0.6
311.01962	1.3
312.03061	0.6
323.01889	0.7
324.02811	0.5
324.06332	0.8
325.03583	1.1
325.07141	7.9
326.07895	2.0
327.01587	0.9
327.05157	2.0
327.08572	0.7
337.03427	1.4
353.02798	0.8
353.06631	10.3
354.06955	0.9
357.02075	0.6
357.09763	1.8
369.06076	1.5
385.09354	2.1
397.05765	3.4
398.05844	0.9
400.07825	0.5
401.09039	0.9
411.07324	1.6
429.08273	100.0
429.24655	1.4
430.08594	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	429.104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94525	1.7
53.00195	3.8
59.01252	11.8
65.00195	7.7
65.55502	1.6
67.01755	9.7
71.01260	8.4
71.56864	3.3
71.57247	2.4
75.00716	2.1
80.99680	6.0
85.02840	2.1
87.00761	2.7
89.02324	2.5
92.99718	2.6
95.01271	18.5
96.95828	1.9
99.00777	2.3
101.02303	2.0
107.01267	5.6
108.99147	2.4
109.02900	2.4
111.00744	11.4
113.02306	3.1
121.02833	1.8
123.00779	14.6
124.01573	3.2
125.02341	32.2
127.00292	2.4
136.98734	7.2
139.00282	28.0
140.01062	4.1
145.02890	2.1
151.00319	4.0
153.01874	1.8
164.98236	6.3
165.98990	6.0
166.99776	8.1
168.00575	18.0
169.01346	47.6
170.01665	3.6
177.01807	4.2
179.03461	2.1
181.04857	2.0
187.00244	2.4
207.06653	4.4
211.02432	55.9
212.02675	3.6
214.99829	3.6
241.03473	2.4
249.04079	2.7
258.98959	1.8
271.04602	100.0
272.04926	6.0
275.02023	4.7
331.06741	7.8
377.41864	1.9
385.11322	2.5
401.10992	3.0
419.92111	2.1
429.10138	56.5
430.10809	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	429.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.9
57.57289	0.7
59.01254	17.0
71.01250	2.7
73.02816	1.7
83.01250	2.6
83.04908	0.9
85.28342	0.7
85.95102	0.8
89.02320	2.1
95.60279	0.8
101.02338	1.8
101.74583	0.7
111.06631	0.8
113.02335	1.4
125.02319	2.3
161.95105	0.9
169.01389	1.4
185.02318	1.1
190.99858	0.8
197.05986	0.8
199.03905	1.0
201.01903	1.7
202.05710	1.0
211.04012	1.3
214.02675	0.9
216.00635	1.0
223.13396	6.5
225.05722	1.2
226.02681	0.9
226.06235	1.0
227.03381	3.9
229.01399	3.1
230.99336	2.0
232.00121	1.6
240.04218	2.3
241.05176	1.0
243.02991	0.8
244.00151	0.9
245.00937	2.4
247.02350	1.6
253.05069	1.8
254.02061	1.2
255.03082	2.7
256.00226	1.7
256.03619	1.1
257.00906	1.7
267.02975	2.1
267.06494	1.0
267.12381	5.2
268.00381	1.5
268.03778	2.3
269.00912	6.9
269.04529	2.3
269.08438	1.5
270.01376	1.0
270.99039	1.5
271.02652	1.5
273.00436	1.4
281.00977	2.5
281.04535	1.8
281.08032	0.8
282.01825	1.5
283.02603	4.7
283.05569	1.3
283.99631	1.4
284.03189	1.4
285.00427	3.3
285.03970	2.2
295.02557	2.4
296.03110	1.6
297.00433	3.3
297.04050	4.9
297.07773	2.5
298.01245	1.7
299.02017	1.9
299.99149	1.0
300.99878	4.0
303.01392	2.1
309.00647	1.8
309.04175	2.4
310.01321	1.2
311.01901	2.0
311.05377	1.3
323.05563	1.2
323.99124	5.8
324.02533	1.3
324.99808	1.1
325.03537	11.2
325.07254	3.1
326.03824	1.9
327.01422	4.6
327.04868	1.0
341.06592	2.6
353.03024	17.1
353.06787	3.5
354.03415	1.7
369.06088	11.4
397.05655	52.5
398.05960	6.1
429.08273	100.0
430.08554	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	429.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	1.3
69.34133	3.1
69.34559	2.2
98.20604	1.2
117.45753	0.5
145.02829	1.1
157.02873	1.3
172.01735	0.6
172.81284	0.5
173.02347	1.1
176.01047	0.7
185.02373	1.2
187.00291	0.6
191.36774	0.5
194.93829	0.5
198.03067	0.6
200.01060	1.0
201.01880	3.9
212.04742	0.6
214.99915	0.7
216.00583	2.2
227.03450	1.2
229.01372	4.5
230.99196	0.8
232.00053	1.2
238.02859	0.8
239.03362	0.7
240.04153	0.7
242.09421	0.6
244.00136	2.2
245.00890	2.6
252.04079	0.8
253.08665	0.7
254.02209	1.5
255.03003	2.2
256.03656	0.7
257.00891	2.2
258.98822	0.9
260.03256	0.5
266.02228	1.2
269.00916	0.7
269.04752	0.8
269.08087	1.4
270.98810	1.5
271.99661	0.6
273.00357	1.3
280.03763	1.3
281.08231	1.8
282.01651	1.7
283.02472	1.9
283.99619	1.0
285.00470	1.4
295.02692	1.1
296.03351	3.2
297.04568	0.6
297.07532	2.8
298.08414	1.0
299.05670	3.8
299.99146	5.3
300.99927	11.1
302.00150	0.9
303.01428	6.1
304.02155	1.5
307.05942	0.8
308.06857	1.0
309.00317	1.7
309.07654	2.3
311.01895	1.4
324.06451	1.2
325.07144	9.2
326.07928	2.1
327.05157	3.5
327.08420	0.7
337.03555	1.9
341.06659	0.8
353.02628	0.9
353.06589	6.0
354.07001	1.1
357.09729	2.4
359.08102	0.7
369.06174	0.7
385.09152	1.1
397.05783	1.7
400.08057	1.0
401.08609	1.7
411.07178	1.3
429.08279	100.0
430.08606	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	429.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
62.49080	0.4
69.29124	4.4
77.77282	0.4
83.30647	0.4
95.01323	0.4
98.19740	0.9
103.33530	0.5
183.04497	0.6
199.00253	0.4
200.01189	0.7
211.04071	0.6
214.02591	0.5
223.07480	0.5
226.02702	0.7
227.03494	1.2
230.99342	1.3
232.00027	1.0
233.00781	0.6
240.04169	0.7
241.05014	0.6
242.02145	0.6
243.02971	0.6
244.00159	0.7
245.00854	0.5
248.10513	0.5
253.01375	0.8
253.05075	1.1
254.02072	1.0
254.05914	0.8
255.03052	1.6
255.06485	1.3
256.00082	0.6
256.03638	0.6
257.00784	1.0
267.03024	1.6
268.00113	0.9
268.03638	0.8
269.00925	5.2
269.04202	0.8
270.01523	1.0
270.98865	1.4
271.02472	1.4
271.99588	0.8
279.03030	0.8
281.01181	0.9
281.04520	1.1
281.07971	0.5
282.01706	1.6
282.05426	1.2
283.02567	1.5
283.06122	2.6
283.99603	2.8
284.02795	0.8
285.00259	1.6
285.04013	0.9
295.02542	2.2
297.00394	4.1
297.04037	3.5
297.07599	1.3
298.01236	4.6
299.01904	1.8
299.05377	0.9
299.99094	0.8
301.00021	0.9
303.01495	1.4
307.06018	0.8
309.00623	0.7
309.04062	1.3
310.04794	0.9
311.01978	7.9
312.02722	3.2
313.03381	0.8
323.02057	0.6
323.99161	6.2
324.99792	3.6
325.03549	17.0
325.07190	2.1
326.00458	1.1
326.04056	2.4
327.01440	3.0
327.05093	1.5
329.99954	0.6
338.00226	0.6
339.01508	1.2
353.03000	23.3
353.06665	1.8
354.03543	2.7
369.06223	3.7
370.06390	0.9
397.05634	43.2
398.05975	4.5
411.06866	0.6
429.08261	100.0
430.08551	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	427.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98529	1.1
59.01247	9.3
62.44293	1.0
71.01254	24.7
72.99171	5.6
73.61307	1.1
115.00277	6.2
122.24194	1.2
129.09149	1.4
153.12753	3.2
181.12213	7.9
227.12813	1.6
263.01300	1.3
265.21771	1.3
293.21249	7.8
295.06900	1.2
309.20767	1.4
311.22275	100.0
312.22568	12.3
409.22113	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2849
Annotation	meso-octamethylcalix[4]pyrrole
Peak:m/z	Relative Intensity
55.95415	0.6
57.03324	1.2
58.30196	0.7
59.01250	3.4
60.99163	0.9
69.40141	0.7
71.01225	1.0
71.57303	0.9
85.06481	1.3
97.06482	2.6
105.64008	0.7
149.09612	0.9
163.11087	0.9
165.12712	1.7
165.76352	0.8
166.89778	0.8
187.26454	0.7
246.71378	0.8
275.45078	0.7
339.23178	1.0
340.23276	0.7
349.25369	1.9
355.26453	1.4
359.60898	0.7
362.26343	0.8
365.28619	7.1
367.26416	18.2
368.26761	3.0
383.29514	2.0
393.24545	1.6
394.24847	1.0
409.27545	1.8
411.25412	2.4
427.28519	100.0
428.28818	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	427.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35757	0.9
58.00448	1.2
59.01253	100.0
71.01254	32.8
71.01581	0.7
72.99163	2.3
73.02840	1.4
78.95771	1.0
83.01241	1.7
83.73193	0.8
85.02828	4.5
86.66164	1.0
87.00758	2.3
89.02318	51.5
90.02630	1.0
95.01275	1.2
101.02329	17.5
103.45629	1.0
113.02328	17.1
119.03397	17.4
123.00764	1.1
125.02332	1.9
131.03433	2.3
143.03400	3.5
145.02823	2.9
147.04419	1.0
149.04433	1.6
161.04439	5.0
169.01300	1.5
173.87135	1.1
179.05565	13.2
185.02356	1.3
187.11217	24.7
188.11543	1.6
200.80626	0.9
229.01399	1.2
245.00969	1.5
283.99512	1.3
286.98392	2.0
299.99210	1.5
300.99896	33.8
302.00262	4.1
326.97842	1.3
427.02728	1.4
427.16141	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	427.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78246	0.4
58.00478	0.5
59.01254	100.0
60.01585	0.7
65.13078	0.4
68.50317	0.4
71.01259	15.9
72.99191	1.3
75.79076	0.4
83.01247	0.5
85.02826	2.8
87.00790	0.7
89.02320	25.2
95.01289	1.0
96.95898	0.7
97.02844	0.6
101.02331	9.1
107.01294	0.5
113.02333	7.1
114.02756	0.5
119.03394	8.8
123.00791	1.6
125.02359	1.5
131.03471	0.9
141.01891	0.5
143.03395	1.9
149.04520	0.9
151.00317	1.6
161.04530	1.8
169.01338	3.1
179.05484	3.3
187.11276	0.8
205.12241	0.8
229.54124	0.5
298.01257	2.0
299.01886	2.4
301.00061	1.2
351.06418	0.4
371.47000	0.4
427.07034	5.6
427.15912	8.7
428.07010	0.7
428.16339	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.6
65.00197	0.8
66.96739	0.7
68.99677	1.1
69.64299	2.5
69.64709	1.4
85.49661	0.7
99.92464	2.6
115.91980	4.3
116.02554	0.7
116.92731	4.5
125.02329	1.0
133.99974	1.3
137.02368	1.1
147.00749	2.2
161.99496	2.1
165.98944	1.3
169.01355	1.1
177.98938	0.7
188.01003	1.1
202.99821	3.0
207.04593	0.8
210.03311	0.9
211.03828	0.9
216.00543	0.7
216.41876	0.7
217.18790	0.6
217.98485	6.7
223.04027	0.8
223.07608	1.3
235.03941	0.7
237.05589	0.8
239.03424	2.0
239.07095	3.9
240.04347	0.8
245.98062	8.4
246.98685	1.5
251.03560	0.6
251.07109	0.8
253.01460	1.3
259.99631	1.5
264.04272	0.9
265.04938	1.2
266.05658	0.7
267.03058	3.0
267.06552	1.8
269.00833	1.7
270.01535	0.7
270.98798	1.7
273.97556	7.1
274.98022	0.8
279.06558	1.7
281.00922	2.0
281.04300	1.4
282.01816	1.5
282.04886	1.1
283.02579	1.0
283.99741	1.3
292.03876	0.8
293.04254	0.7
294.01749	1.3
295.02478	9.7
295.06079	2.2
296.02808	1.3
297.00354	12.3
297.03604	0.5
298.01111	2.3
303.01489	1.8
307.02615	0.9
307.05991	1.4
308.06796	0.8
309.00583	3.4
309.03851	1.0
310.01160	0.8
310.04794	1.7
311.01947	5.4
311.05542	1.8
312.02536	1.0
323.05551	3.1
323.99237	1.0
324.06229	1.2
325.03632	1.2
326.04294	1.7
339.01352	1.4
339.05121	6.4
340.02051	1.2
340.05634	1.6
342.00314	3.0
351.05194	1.4
351.12683	1.2
353.03107	2.1
355.00995	1.5
355.08289	1.3
367.04642	1.7
379.86331	0.8
383.07672	2.8
391.12088	2.5
399.07294	4.4
402.73950	0.7
427.06671	100.0
428.07013	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	425.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.4
59.01249	2.2
64.32047	0.8
71.01255	30.2
72.99184	9.1
87.00758	0.8
111.08028	1.3
111.45732	0.9
115.00266	6.4
115.00930	0.9
119.94197	0.9
125.09711	1.1
127.11152	1.3
133.01270	1.4
151.11208	1.3
153.12764	3.8
166.98013	0.9
167.10715	1.0
169.12300	1.5
179.14355	1.0
181.12259	2.2
182.75888	1.1
197.11719	1.7
207.13850	1.7
215.12842	1.8
227.12718	0.9
229.69614	1.0
241.14479	1.2
247.20613	3.5
253.14232	0.9
265.21994	1.0
273.18683	1.2
281.21252	1.5
291.19638	23.5
292.20007	2.3
309.20712	100.0
310.21051	10.9
331.36456	0.9
407.20663	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	425.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51349	1.6
54.96798	2.2
58.68828	1.8
59.01252	100.0
65.83982	1.8
71.01259	3.0
74.94804	1.8
88.09204	1.8
96.75265	2.0
98.19733	3.4
99.16623	1.9
102.07425	1.9
150.09424	1.7
158.92453	2.2
159.93364	2.2
291.19739	5.0
309.20786	12.1
425.29596	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	427.0308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	7.1
60.02906	0.5
61.98697	0.6
71.01261	3.0
73.02818	0.6
75.00733	1.0
78.95764	0.5
80.02887	0.4
85.02828	0.8
86.05971	0.9
89.02325	2.5
95.01289	0.9
98.20556	1.2
99.00719	0.5
101.02336	1.8
113.02330	0.9
119.03415	0.5
119.04896	0.6
123.00809	0.7
125.02338	1.3
137.02328	0.6
145.02826	1.2
147.04439	1.5
160.01546	1.1
161.02324	1.0
169.01366	1.1
169.02791	0.5
175.03946	1.4
189.01826	0.7
190.02698	1.2
192.00514	0.7
195.04425	1.0
196.05078	0.5
197.06029	0.9
201.01819	0.6
202.02594	0.7
203.03255	0.7
209.05998	1.2
211.04008	1.0
213.01759	0.6
213.05482	0.8
214.02721	0.8
216.00676	0.5
218.02193	0.8
221.06061	0.5
223.03979	1.0
225.01913	0.6
225.05513	1.6
227.03568	0.8
229.01404	1.3
235.04047	1.4
237.05464	1.3
239.03421	1.0
240.04231	0.9
241.04994	1.7
242.02150	1.1
243.02957	1.6
245.00815	0.7
251.03479	1.3
252.04137	0.6
253.05133	2.5
255.03134	0.9
257.00867	1.0
258.01733	1.0
263.03543	1.2
264.04178	0.8
265.05026	1.7
267.02933	0.8
268.03711	0.9
269.01138	1.0
269.04507	2.5
271.02527	1.7
272.03241	0.7
273.00394	1.4
274.01266	5.9
275.01785	1.2
278.02313	0.7
279.02902	2.8
280.03714	1.5
281.04581	4.1
282.01886	0.7
283.02475	1.6
283.05679	0.5
284.03302	0.7
287.02002	0.9
287.64975	0.6
292.03687	0.7
293.04501	0.9
295.02216	0.8
296.03140	2.9
297.04019	2.1
298.01181	0.9
299.01944	3.9
299.05231	1.2
300.99875	1.3
307.02533	1.6
308.03128	1.5
309.00690	0.4
309.04047	11.3
310.04358	1.0
311.01953	1.5
311.05417	1.0
312.02603	1.4
323.02026	5.5
324.02515	3.2
325.03528	16.3
326.04138	2.2
327.01599	1.0
327.05127	1.8
337.03558	3.1
339.05276	0.8
353.03046	4.1
354.03815	5.5
355.04547	9.4
356.04776	0.7
365.03061	1.7
366.03772	1.2
383.04074	100.0
384.04410	9.7
426.17584	0.7
427.02536	9.9
427.20096	0.7
428.03467	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	423.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	5.5
57.03325	5.1
58.00459	1.5
59.01252	36.5
67.01746	0.5
69.03335	1.6
69.55623	1.1
69.56024	4.0
70.40838	0.5
71.01254	64.9
72.01587	0.9
72.99180	2.6
73.02819	32.6
75.00740	1.5
77.29048	0.5
83.01252	12.4
85.02824	32.4
85.99988	2.3
86.03159	0.6
87.00745	4.3
89.02316	11.1
89.02841	0.9
93.03385	0.6
95.01256	4.0
97.02835	2.9
99.00754	13.9
99.04388	0.9
101.02323	63.3
102.02666	0.8
104.59054	0.5
111.00758	2.5
113.02328	23.2
115.03919	1.6
125.02345	4.3
127.11185	1.1
129.01831	1.8
129.12750	1.1
131.03407	2.8
143.03394	2.8
149.04457	1.6
154.73213	0.6
159.02899	5.8
161.04465	28.1
169.01266	0.7
171.75528	0.5
191.05438	0.8
199.13242	0.7
205.03516	0.8
233.06682	2.7
291.18137	100.0
292.18454	8.3
293.08914	0.8
335.17050	0.5
363.24170	0.7
387.48190	0.6
423.22342	65.3
424.22559	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	423.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
65.92509	0.4
71.05812	0.5
71.06151	0.9
76.39456	0.4
78.95780	15.3
82.47134	0.4
104.97324	0.5
107.83611	0.4
110.98422	8.7
137.00017	0.4
142.00169	0.4
152.99483	0.8
163.11305	0.5
167.01060	11.6
185.02165	2.5
255.23276	100.0
256.23657	9.0
265.99115	0.4
423.25165	12.7
424.25446	1.8
433.49106	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.182
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
59.01254	12.8
61.93470	7.3
68.62499	6.5
69.26570	18.8
69.26979	68.4
71.01263	9.3
80.59288	7.6
83.50956	6.8
85.02859	6.3
87.98169	6.8
90.70245	6.8
97.02830	8.9
119.04936	14.3
122.03622	12.0
125.05988	16.6
133.02841	9.0
138.06694	11.1
139.07558	49.7
151.07530	70.4
152.08304	26.3
153.09129	19.4
161.02318	20.1
163.03917	19.2
163.07561	11.6
168.52666	8.0
168.66391	7.0
201.12698	18.7
203.10652	11.6
204.11555	33.8
219.13832	53.7
231.02858	6.8
245.11841	10.1
263.12869	100.0
264.13406	11.0
416.60706	7.5
425.14261	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	423.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83548	0.7
55.01760	7.5
57.03333	4.8
58.00479	1.5
59.01252	45.3
59.17835	0.6
63.19094	0.6
69.03321	2.3
71.01254	64.0
72.01595	1.1
72.99188	2.7
73.02823	35.6
75.00756	2.1
78.23222	0.7
81.03323	1.0
81.36239	0.7
83.01257	15.5
85.02825	33.4
85.99986	2.3
86.03184	1.0
87.00760	3.9
89.02322	12.1
89.02839	1.1
92.08337	0.6
95.01285	5.4
97.02833	3.8
98.19780	1.8
99.00764	13.4
101.02325	68.0
102.02688	1.6
111.00753	1.9
113.02331	24.2
115.03909	2.4
119.03431	1.3
125.02342	4.9
126.81252	0.7
127.11119	0.8
129.01846	2.2
131.03397	4.2
143.03392	3.6
149.04451	1.6
152.35909	0.7
159.02895	4.7
161.04480	22.0
161.05838	1.2
199.13307	0.9
205.03487	1.1
233.06708	3.6
261.07489	0.7
291.18146	100.0
292.18500	6.7
293.08710	0.8
297.97400	1.1
312.99887	0.9
328.02362	0.8
335.16916	1.0
343.04623	1.6
423.22360	72.9
424.22827	8.3
424.69043	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	5.3
57.03329	5.4
58.00463	1.8
59.01253	33.7
67.87910	0.5
68.99700	0.6
69.03323	1.7
70.91746	1.5
71.01257	55.3
72.01604	0.7
72.99175	2.1
73.02824	26.5
75.00754	1.5
81.03307	0.8
83.01256	12.9
85.02827	29.1
85.99985	2.3
87.00764	3.0
89.02325	9.4
92.38689	0.5
95.01278	3.7
97.02830	3.1
99.00156	1.0
99.00764	12.4
101.02325	61.0
102.02683	1.0
109.89858	0.5
111.00764	1.7
112.21698	0.5
112.91203	0.6
113.02335	22.5
114.02657	0.6
115.03921	1.8
123.00806	0.5
125.02338	4.6
127.11184	0.8
129.01845	1.7
129.12741	0.7
131.03392	2.4
143.03416	2.5
145.94452	0.6
149.04478	2.0
156.53911	0.5
159.02878	5.5
161.04469	28.8
183.78865	0.6
199.13307	0.7
205.03511	0.8
233.06589	1.6
291.18137	100.0
292.18515	8.0
335.17233	1.2
423.22336	50.3
424.22791	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.8
57.03333	5.2
59.01255	42.2
59.03497	0.6
60.01578	0.6
60.99191	0.7
69.03325	0.7
70.91391	1.0
70.91747	1.2
71.01259	13.5
72.99203	1.0
73.02820	7.3
75.26039	0.5
83.01262	5.4
83.04919	0.7
85.02831	8.1
87.00751	1.3
87.29192	0.6
88.19920	0.6
89.02327	2.1
93.03354	2.0
94.82903	0.5
95.01278	1.0
97.02808	0.8
99.00758	1.9
99.04401	2.5
101.02330	16.5
107.01233	0.5
109.06509	0.8
111.04397	0.6
111.47477	0.5
113.02338	5.7
119.04929	2.6
125.02337	1.9
133.06511	0.7
137.06056	0.7
141.06966	0.6
143.04877	0.7
145.02834	0.7
145.06514	0.9
155.08592	0.6
157.06538	0.6
159.02930	1.5
161.04492	7.1
161.09666	1.1
163.03967	0.9
163.06013	0.5
169.01421	1.2
169.10107	0.9
171.04495	0.6
173.09720	1.4
174.03156	1.4
175.03963	1.0
187.11270	1.2
189.05539	2.6
199.03928	1.0
199.11215	1.2
217.04988	6.1
229.16017	1.2
255.13869	0.6
255.17610	2.1
257.15402	4.6
260.06476	0.6
261.04089	17.7
261.07614	2.8
262.04428	1.3
274.99258	0.6
277.16565	24.3
278.16974	1.5
283.13385	1.5
299.16696	0.6
301.82581	0.6
361.16547	4.2
363.14508	5.6
405.15607	3.8
423.16711	100.0
423.22107	6.6
424.17133	12.6
424.22443	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08386	0.6
57.03325	34.0
59.01252	44.1
69.03341	1.3
69.44027	2.5
69.44445	3.3
71.01268	3.6
73.02831	1.2
83.01265	1.5
83.04915	1.7
85.02819	1.1
95.04901	2.7
97.02812	5.7
99.04398	20.3
101.02326	5.5
104.22415	0.6
107.04933	1.8
109.02848	4.0
109.06470	4.5
111.00764	1.2
111.04404	3.6
112.98712	1.0
119.08546	1.0
121.06502	3.2
122.03621	7.5
123.00794	1.1
123.04460	1.1
124.01540	1.4
124.05198	13.9
125.02346	7.0
125.06017	6.4
129.40575	0.7
133.06488	5.8
135.04443	2.2
135.08073	1.6
136.01549	1.1
137.02345	1.0
137.05989	11.2
138.03134	2.7
139.00291	0.8
139.07550	100.0
140.00963	0.9
140.07901	4.2
142.99760	1.0
147.08067	2.7
148.05154	1.1
149.05980	2.0
152.01096	1.1
157.06454	0.8
157.10054	0.9
161.02385	0.7
161.04485	8.5
162.03191	1.7
163.07553	0.8
163.11153	0.8
166.99719	1.2
167.07042	1.0
168.00598	0.8
168.06403	1.1
168.07835	18.3
168.09209	1.4
169.01355	8.8
169.08641	10.2
171.08153	1.8
173.00925	0.7
174.01636	7.7
175.02274	0.8
175.03886	1.5
175.11229	0.9
177.12804	1.5
178.99867	0.8
181.08629	4.6
187.11208	10.9
188.11557	0.8
190.09895	1.9
194.99332	4.1
201.05510	3.4
205.12288	21.2
206.12627	1.7
210.08975	1.2
211.09743	3.3
215.07201	4.0
216.07718	1.0
217.08708	4.1
217.12314	2.7
221.11916	1.1
231.10455	0.8
235.13371	5.2
245.04587	0.8
249.11349	6.2
250.11925	1.3
260.06970	4.4
261.07663	25.7
261.10611	1.3
262.08017	1.8
279.12375	47.8
280.12704	3.8
286.99469	0.7
299.99384	0.7
321.13400	1.5
326.02850	1.6
423.00427	1.7
423.12759	20.7
424.13403	2.1
436.60504	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	2.0
71.28078	0.9
71.56792	1.5
77.33511	1.0
78.95775	32.0
79.95617	0.9
80.96385	2.4
81.87942	0.9
91.40083	0.8
96.95885	1.4
110.98419	55.8
152.99457	3.9
167.01083	1.5
167.34294	0.9
185.02133	100.0
186.02432	2.7
222.83272	1.0
253.21709	25.8
254.22012	2.4
263.05640	1.0
316.25507	0.9
421.23517	2.2
421.29001	1.2
422.18143	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15075	0.7
53.86412	0.7
57.03322	1.7
59.01252	100.0
60.01600	1.2
68.74911	0.8
71.01258	2.8
73.02781	0.7
75.87288	0.8
77.47914	0.6
79.91643	0.7
87.04400	1.3
101.02354	2.3
113.02341	1.6
115.74213	0.7
120.32883	0.7
123.08075	0.8
125.02355	1.0
141.12778	1.0
161.04485	0.9
169.01393	1.1
171.13840	1.1
171.63361	0.7
201.14925	1.9
206.44655	0.8
239.13158	0.7
359.28156	1.0
361.29599	31.0
362.29938	5.0
421.11084	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0934
Annotation	Hypericophenonoside
Peak:m/z	Relative Intensity
59.01255	3.9
70.38045	4.4
71.01247	4.5
73.02821	1.3
81.03342	1.4
85.02811	5.6
95.01266	3.2
97.02828	1.6
101.02316	4.6
107.01266	8.9
108.02071	7.8
109.02842	15.2
111.00747	3.5
113.02318	2.8
120.88804	1.1
121.02785	1.3
123.00775	18.5
125.02341	41.6
126.02658	1.5
136.98715	2.7
139.00261	5.0
140.01027	5.6
141.01842	2.4
144.23111	1.1
151.00247	11.0
151.04022	1.3
168.00595	6.0
169.01331	49.0
173.27054	1.1
218.01207	1.3
289.39789	1.4
297.06229	1.5
313.05588	9.4
337.79181	1.3
396.85599	1.4
423.09344	100.0
424.09787	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	423.1301
Annotation	Ginkgolide B
Peak:m/z	Relative Intensity
53.10115	0.6
55.01746	0.6
58.00444	0.8
59.01252	10.7
65.00213	0.8
67.01752	2.2
69.03329	1.8
69.34853	4.4
69.35278	2.0
71.01254	9.8
72.99179	2.0
73.02817	0.9
79.01759	1.9
80.03440	0.6
80.48293	0.6
83.01244	2.2
85.02815	2.6
87.00759	1.0
89.02312	2.5
91.85657	0.7
95.01257	2.9
97.02825	1.1
99.00729	0.7
101.02308	3.1
107.01277	7.6
109.06483	1.3
109.99966	1.0
111.00772	5.2
113.02316	2.7
122.99906	1.4
123.00766	20.6
124.01559	2.4
125.02335	32.1
126.02634	0.9
127.00221	2.4
136.98679	3.6
139.00264	7.5
139.03911	0.9
140.01057	7.6
141.01782	2.7
145.02795	0.7
151.00282	11.8
153.01840	0.6
154.99719	1.0
166.99756	0.8
167.03404	0.9
168.00558	11.4
169.01338	47.8
170.01701	2.1
177.03923	2.3
201.05612	1.2
211.02419	25.3
212.02815	1.3
217.08597	2.1
236.20462	0.8
241.03499	1.1
261.07629	1.9
263.56387	0.6
270.03778	0.7
271.04587	32.2
272.04929	1.4
303.08914	0.8
313.05627	2.7
363.10373	0.8
423.12918	100.0
424.13162	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	421.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01721	2.0
59.01252	16.1
59.48729	1.9
69.03331	2.3
69.54362	11.9
71.01254	14.1
73.02815	3.4
76.07558	1.7
81.06952	2.1
83.01308	2.0
83.04895	3.7
85.02819	3.5
87.00731	2.2
89.02299	9.9
93.06978	2.8
95.01265	2.3
101.02288	9.3
109.06480	5.5
111.08041	6.7
111.40320	1.7
113.02323	8.2
119.03387	3.7
121.04945	8.1
125.02346	4.0
125.05986	3.8
131.04875	1.8
137.06030	2.7
155.07051	100.0
156.07362	3.4
161.04495	5.0
163.03815	1.8
169.01398	3.7
245.00775	2.2
260.88150	1.9
283.10287	16.4
298.38483	1.8
300.99704	2.0
305.93869	1.9
346.55170	2.0
421.03836	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	421.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10611	0.4
59.01254	100.0
60.01587	1.1
69.24513	3.6
69.24940	1.5
71.01260	4.9
73.02818	1.3
83.01252	0.5
85.02844	1.7
89.02335	1.1
98.19739	0.9
99.00789	0.8
101.02327	3.2
107.04958	0.9
111.00777	0.7
113.02357	1.4
115.03903	0.5
119.03439	0.7
123.00806	1.3
124.01589	0.5
124.83229	0.5
125.02364	2.6
127.02229	0.4
131.73854	0.5
137.50981	0.4
146.03513	0.4
151.00330	1.3
151.24872	0.6
161.04433	0.6
167.20128	0.4
168.00618	0.5
169.01416	2.0
175.50189	0.5
185.11777	0.7
255.76784	0.6
267.36230	0.5
317.16052	0.6
329.16058	7.2
330.16711	0.6
347.30453	0.5
361.18744	4.4
421.11600	5.4
422.11868	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51700	0.3
55.01756	0.9
55.19193	0.3
57.03331	0.9
57.75763	0.4
58.47253	0.4
59.01254	100.0
60.01598	0.8
60.80488	0.4
61.98698	0.4
71.01257	10.6
72.01571	0.4
73.02815	2.5
83.01286	1.5
85.02824	4.3
86.97907	0.3
89.02336	1.1
95.01264	0.4
99.00793	1.5
101.02322	7.2
113.02332	4.0
121.06448	0.4
143.03484	0.5
159.02997	1.2
161.04465	6.2
166.28215	0.4
192.00551	2.5
195.73123	0.4
205.01411	0.5
229.28423	0.4
259.19098	0.6
361.13138	1.6
420.98972	0.4
421.11420	2.8
421.23807	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	421.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	97.5
69.27582	99.0
69.28008	79.2
71.01251	60.7
72.99159	26.6
73.10759	20.8
85.02826	34.7
87.00730	16.9
89.02305	36.7
92.00816	18.1
95.01334	21.9
96.95913	22.2
98.20511	28.5
99.00767	22.7
101.02306	28.0
107.04897	37.1
119.03481	26.2
123.00802	32.8
125.02316	51.8
150.85054	17.6
169.01300	46.3
275.01776	17.6
338.39401	18.0
377.18051	42.8
421.11398	30.8
421.16409	100.0
421.20685	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1142
Annotation	Benzyl 6'-O-galloyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.10224	0.3
55.01763	0.9
57.03328	0.8
59.01253	3.7
65.00196	0.4
67.01765	1.7
69.03324	1.2
69.65015	0.9
69.65435	1.3
71.01256	6.1
72.99168	0.7
73.02829	1.9
79.01756	1.3
81.03345	0.5
83.01257	1.9
85.02832	3.8
87.00762	0.5
95.01266	2.7
96.25125	0.3
97.02843	1.3
98.19808	0.7
99.00797	0.8
101.02320	4.2
107.01270	5.5
109.99976	0.5
111.00782	3.0
113.02312	2.1
123.00769	20.8
124.01637	2.0
125.02338	19.4
126.02686	0.7
127.00262	0.9
136.98730	1.9
139.00273	5.7
140.01064	4.8
141.01842	3.1
149.99457	0.6
151.00275	14.3
151.03934	0.6
152.00719	0.6
153.01813	1.1
154.99704	0.4
161.04468	0.4
163.03963	0.4
168.00578	4.4
169.01337	23.1
170.01675	0.6
174.42468	0.3
181.05032	0.5
253.03365	0.5
301.50336	0.4
313.05466	1.5
421.11404	100.0
422.11716	12.7
422.17596	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1195
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01252	5.7
70.34056	3.3
71.01247	5.3
72.49113	1.1
72.99223	1.6
73.02811	1.6
83.01257	1.8
85.02820	3.3
87.00739	1.5
95.01254	2.4
96.04925	1.2
101.02323	3.2
107.01266	3.1
111.00745	3.3
113.02316	2.4
121.05359	1.1
123.00774	16.8
125.02333	19.1
126.37178	1.1
127.00217	1.1
139.00247	3.5
140.01073	2.0
141.01811	1.8
145.90552	1.3
151.00276	12.2
168.00581	5.0
168.99968	1.7
169.01349	25.7
211.02457	2.1
266.24542	1.2
313.05640	1.9
339.14941	1.3
419.11929	100.0
420.12393	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	419.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	23.0
59.01253	26.5
67.01766	5.9
69.42664	8.7
69.43083	4.0
71.01256	45.1
72.99184	31.4
73.01720	1.3
73.02825	7.2
75.00745	19.9
83.01275	3.1
85.02828	33.9
87.00766	3.5
87.58527	1.3
89.02316	8.2
98.03613	1.7
99.00784	8.7
101.02332	8.1
105.01823	34.5
108.02069	3.9
109.02858	2.0
111.00761	1.6
111.08047	1.4
113.02321	7.0
117.01819	3.3
119.03437	2.9
125.02326	1.9
129.01836	100.0
130.02182	4.5
135.02905	35.1
137.09665	1.7
137.59616	1.6
139.00414	2.0
139.07564	4.7
145.02846	1.6
147.02907	40.2
153.09109	4.2
155.07030	1.9
155.10689	11.0
161.04460	3.5
169.29948	1.4
191.01906	14.6
217.01549	1.5
227.16493	13.7
241.07353	9.9
242.07957	2.5
248.09698	1.5
273.00320	2.5
275.71039	1.4
301.09497	1.7
344.55408	1.8
361.78448	1.4
419.02466	5.1
419.15305	8.1
419.19269	11.0
420.09625	2.0
420.19751	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	Benzyl 6'-O-galloyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.39809	0.4
55.01766	0.6
57.59360	0.5
59.01252	17.3
62.93593	0.4
67.01758	1.2
69.03335	0.7
71.01258	5.8
71.57167	0.5
72.99160	0.6
73.02815	1.9
79.01778	0.7
79.33064	0.5
80.80991	0.5
81.99895	0.5
83.01269	1.5
85.02816	2.7
87.00751	0.9
89.02327	1.1
95.01260	2.3
97.02828	0.9
101.02345	2.9
107.01275	7.5
107.04916	33.3
108.05245	1.4
111.00786	2.1
113.01604	0.5
113.02288	2.8
122.99899	1.1
123.00769	14.3
124.01635	0.8
125.02338	37.7
126.02643	0.7
126.91908	0.6
127.00275	1.3
136.72629	0.5
136.98659	1.1
138.03220	0.4
139.00273	4.7
140.01074	2.7
141.01830	2.2
142.95067	0.5
147.12939	0.5
150.57971	0.5
151.00273	9.9
153.01849	0.5
161.02345	0.7
161.04442	0.9
168.00591	3.1
169.01343	45.6
170.01677	2.3
179.03366	0.6
191.69955	0.5
229.04082	0.9
256.03278	0.6
257.03708	1.1
258.03882	0.7
259.04178	0.9
286.03766	0.9
288.04587	0.9
289.16666	0.8
313.05621	13.6
314.05997	0.7
329.15982	1.2
349.84134	0.5
361.18768	1.2
421.11447	100.0
422.11755	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3012
Annotation	Maesaquinone
Peak:m/z	Relative Intensity
53.96951	1.2
55.53738	0.9
59.01256	34.6
69.58147	7.5
73.07700	1.2
97.87527	1.2
98.20578	1.2
113.71844	1.3
117.85229	1.3
355.30219	1.6
373.31152	33.3
374.31317	3.3
399.28943	1.3
417.30054	100.0
418.30423	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	417.3376
Annotation	4beta,7alpha-dihydroxycholesterol
Peak:m/z	Relative Intensity
58.10317	0.5
61.58082	0.5
71.01276	1.3
76.69071	0.5
77.39290	0.6
81.02729	0.7
91.15830	0.6
112.20590	0.6
119.22736	0.6
166.02583	0.7
192.16252	0.6
204.07797	0.5
261.38599	0.5
355.29877	1.2
373.31039	0.7
399.29019	0.6
417.33823	100.0
418.34155	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	419.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51920	1.1
59.01249	12.7
62.87990	1.3
67.01767	1.5
71.01246	4.2
71.01876	4.2
72.99174	7.3
81.03308	1.8
85.02815	2.0
89.02305	2.6
91.04931	1.5
93.03349	2.3
95.01257	1.7
99.30299	1.3
101.02297	3.9
103.60035	1.5
108.02013	1.8
109.02839	12.1
111.00723	1.7
113.02310	1.8
121.02834	3.4
121.06483	3.3
122.97279	1.3
123.00732	4.7
124.01510	3.4
125.02361	14.7
129.54239	1.3
133.02774	1.7
135.08086	1.8
137.01387	2.2
137.02354	24.9
145.02846	2.5
147.04395	1.5
149.02313	3.9
150.03136	2.1
151.03845	3.4
153.01823	3.6
153.09114	3.8
153.68483	1.4
160.01573	1.9
160.44554	1.4
161.02287	5.7
163.00264	10.3
163.03908	2.0
164.01065	3.5
165.01881	7.1
165.05438	2.0
168.00528	4.4
169.01283	2.8
173.02322	2.2
175.03873	2.7
177.01849	22.5
177.05376	2.0
178.02498	2.7
178.99680	1.6
179.03346	4.9
185.05852	1.4
189.01854	4.3
190.02643	5.9
191.03407	4.4
192.00516	1.6
193.01375	2.9
193.08667	2.3
198.03076	1.6
199.03894	3.5
201.05426	1.6
202.99840	1.4
203.03386	5.2
204.00513	1.7
204.03960	1.9
205.01315	4.5
206.02080	1.8
206.99225	5.7
208.00099	7.2
209.00845	9.0
210.01483	2.0
211.03770	1.5
212.04881	2.0
213.05501	2.8
214.06216	1.6
215.03355	3.4
217.01344	3.8
217.05107	1.5
219.02855	1.8
219.10170	4.2
221.00864	16.2
222.01314	2.0
225.05643	1.3
225.09071	2.3
226.06317	2.0
227.03426	3.5
227.07016	2.8
229.05130	2.1
233.00867	2.5
240.04120	2.0
241.04942	3.6
241.08733	2.7
243.02977	10.1
243.06699	2.1
244.00026	3.5
245.00885	6.0
245.04318	2.0
246.01544	2.4
246.98770	3.4
247.02492	2.7
253.08502	2.1
255.02930	2.3
255.06604	4.6
255.10294	5.4
256.03717	2.4
257.04413	1.8
259.02637	2.0
259.99542	2.1
261.00394	8.2
267.02969	1.8
269.04831	3.2
269.08176	8.6
270.05045	1.9
270.98895	1.6
271.02820	2.3
271.06097	10.8
271.09665	5.9
271.99628	3.6
274.01099	2.0
279.06659	1.6
281.08163	2.7
285.07739	5.1
286.08527	5.0
287.02112	2.6
287.05539	9.4
287.08670	2.2
288.02725	3.3
288.99884	2.6
290.00787	11.8
296.03168	1.9
297.07721	4.9
299.01846	4.5
299.05777	3.1
299.09155	10.7
300.06589	1.9
301.03488	5.3
301.10764	3.6
303.05066	4.3
303.08694	1.5
304.02332	2.6
313.07147	5.9
314.04279	1.8
315.08701	5.3
325.07159	6.8
326.04193	1.6
327.08777	1.7
329.06808	8.0
331.04675	2.9
331.08276	2.6
331.11810	13.9
341.06610	7.0
343.08270	21.3
344.08810	7.9
345.09766	84.5
346.10016	8.8
357.09976	3.4
359.07712	7.8
360.08102	2.0
361.09369	2.3
369.06088	4.4
370.92798	1.5
375.10904	12.3
387.07236	28.1
388.07632	2.9
401.08731	10.6
419.09760	100.0
419.22128	8.1
420.04694	1.9
420.09900	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	417.2131
Annotation	Maryal
Peak:m/z	Relative Intensity
53.35181	0.4
53.60890	0.4
55.01749	1.4
55.16058	0.4
57.03328	1.9
58.00460	1.5
59.01252	28.8
69.36953	1.0
69.37366	2.6
71.01255	19.5
71.04893	1.3
72.99182	1.6
73.02823	4.3
75.00762	0.4
80.26555	0.4
83.01251	2.9
84.02031	0.4
85.02343	0.7
85.02827	10.3
85.06463	0.5
85.43983	0.4
85.99961	1.3
87.00757	4.2
87.04397	3.5
89.02319	10.3
95.01284	1.9
97.02816	0.6
99.00733	1.7
100.70483	0.4
101.02321	13.2
101.05954	1.1
101.68106	0.5
105.59988	0.4
107.01215	0.4
108.96195	0.4
111.00739	0.6
113.02328	6.7
119.03392	3.2
121.10130	0.4
125.02307	0.8
125.77066	0.4
131.18643	0.4
137.02336	0.5
149.09636	1.6
159.06558	1.1
161.04456	1.3
166.02574	0.5
167.10693	19.5
168.11024	1.0
169.01328	0.6
175.14789	1.0
179.05466	0.4
179.10689	0.9
197.11711	0.4
209.00807	0.6
210.76497	0.5
219.13857	0.8
227.03479	3.3
237.14874	4.9
238.68733	0.4
255.02930	2.9
255.16010	5.6
269.00967	0.7
284.03265	3.0
285.04022	1.5
323.05573	0.5
341.06680	2.0
345.06085	1.1
373.09189	0.4
399.20313	1.1
417.09229	3.6
417.21271	100.0
418.08426	0.6
418.21600	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2646
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
50.01484	0.5
50.44177	0.5
51.80545	0.5
59.01280	0.5
71.04738	1.1
71.05075	0.8
84.69321	0.6
117.03345	19.9
118.03709	0.9
119.04916	7.4
120.05260	0.7
121.02880	1.2
141.21434	0.5
145.02856	100.0
146.03214	4.7
146.34206	0.6
163.03894	4.8
188.23878	0.6
271.22824	9.6
373.31036	1.1
399.25113	1.2
417.26025	21.5
418.26505	3.2
426.76410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	2.2
55.49601	1.4
56.99042	1.0
57.03321	6.4
58.00483	2.3
59.01254	36.8
68.99722	1.0
69.85366	1.0
70.48857	1.1
71.01254	34.6
71.37295	2.0
71.37630	1.0
72.83587	0.9
72.99209	4.5
73.02831	6.6
75.00744	27.1
75.01131	1.6
83.01287	4.5
85.02826	15.4
87.00751	8.6
89.02316	23.6
90.02694	1.0
93.03376	1.1
95.01291	2.8
96.12901	1.1
96.95905	1.0
99.00768	8.9
101.02328	24.9
107.01294	1.5
107.38822	1.0
109.06496	1.3
109.65438	1.0
111.00805	2.6
113.02329	10.4
119.03392	10.6
119.04998	2.2
123.00819	3.6
123.04471	2.1
123.08079	2.5
125.02392	4.4
129.01822	14.9
135.04468	1.4
137.02399	1.4
137.09644	1.4
139.00340	1.2
141.01929	1.5
151.00296	2.6
151.11237	1.3
152.25487	1.0
153.05511	1.3
159.02921	1.4
161.02422	1.2
161.04509	2.8
166.02678	3.7
167.03485	2.3
169.01398	4.2
170.47284	1.4
175.11206	2.1
177.04056	1.2
177.12794	1.4
179.05582	1.3
181.04951	5.1
181.12312	1.5
182.05878	2.6
189.01907	2.0
193.12244	5.8
195.05037	59.4
195.13940	3.8
196.05481	2.7
211.13397	3.2
219.10295	1.6
237.11450	3.3
239.12848	11.6
249.27196	1.3
261.00314	1.7
261.13608	1.9
342.35413	1.2
373.18607	5.3
399.16724	3.9
417.17908	100.0
418.18130	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	417.1765
Annotation	Ascleposide B
Peak:m/z	Relative Intensity
55.01746	3.0
57.03316	6.7
57.69657	2.0
58.00441	2.3
59.01250	42.6
63.64435	2.1
68.99663	2.8
69.69672	13.7
70.90663	2.4
71.00889	4.1
71.01250	40.7
72.99177	6.2
73.02808	6.5
75.00743	20.8
78.26550	2.3
81.67507	2.2
83.01263	6.0
85.02825	15.8
87.00738	7.2
89.02306	24.7
93.03329	3.3
95.01251	4.5
98.19793	3.7
99.00722	8.8
101.02334	28.7
113.02345	13.1
119.03391	11.3
121.02837	10.1
123.00801	3.4
123.04401	2.5
125.02345	5.4
129.01817	16.2
137.02298	5.1
139.00246	3.7
143.03336	2.5
148.29517	2.2
148.96181	2.6
151.00285	2.8
159.02808	3.4
161.04449	7.0
169.01390	3.4
177.03871	2.8
182.05734	3.0
193.12305	4.6
195.05049	51.1
211.13329	4.0
219.10080	2.6
237.11238	4.5
239.12822	11.7
283.99646	4.4
370.93372	2.4
373.18509	5.2
375.65338	3.3
399.16620	3.6
417.17615	100.0
418.17767	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	417.1554
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
56.52725	0.2
57.95218	0.2
59.01230	0.5
59.27794	0.3
67.01768	0.6
69.42632	2.1
70.01400	0.2
71.01244	0.8
72.61608	0.3
79.41529	0.2
80.88642	0.2
81.03335	0.6
84.02071	0.4
85.02823	0.4
89.56537	0.2
93.03344	0.6
95.01278	1.5
95.04913	0.4
101.02348	0.2
107.04883	0.5
108.02059	0.3
109.02835	4.5
111.00771	0.7
121.02845	0.8
121.06470	0.5
123.00768	5.3
123.04407	0.9
124.01543	0.8
125.02348	1.4
131.04958	0.3
133.02840	0.4
135.00786	0.5
136.01596	0.4
137.02347	18.8
138.03215	0.2
139.00275	0.7
139.03911	0.8
145.02879	0.8
147.04442	0.5
149.02367	1.9
150.03104	1.0
151.00276	30.9
151.03879	2.1
152.01057	3.2
152.04695	3.3
153.01837	0.4
153.05495	0.2
154.02586	0.5
159.04417	0.8
160.05270	0.3
161.02321	0.4
163.03922	0.8
164.04709	0.7
165.01859	1.3
166.02635	75.6
167.03314	5.4
173.02379	0.6
175.03952	1.5
176.01012	0.5
176.04634	0.3
177.01849	5.2
177.05460	0.4
178.02551	0.7
179.03362	1.0
179.07059	0.4
181.04991	100.0
182.05315	4.3
184.03709	1.2
189.05528	0.7
190.02637	0.4
190.06285	1.2
191.03447	1.6
192.04169	1.5
193.04970	1.3
195.02950	0.9
203.03365	0.6
204.04211	0.4
205.04973	1.5
205.08636	1.9
207.06573	1.8
209.04561	0.4
217.04971	0.4
219.06635	0.7
221.04521	0.4
223.05981	0.3
224.03268	0.3
233.08400	0.3
235.06181	0.4
245.00925	0.3
257.08035	0.2
271.05997	0.3
273.00363	0.8
296.06531	0.2
299.05765	0.4
301.07156	0.8
314.08032	0.3
316.09680	0.3
329.10275	1.0
341.10419	0.5
342.07568	0.4
357.09805	0.7
359.11398	3.0
360.11789	0.3
371.15137	0.8
387.10849	18.0
388.11163	1.9
402.13220	12.4
403.13583	1.5
417.15582	19.6
418.15744	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	417.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.8
57.03334	0.5
58.94976	0.4
59.01255	6.7
67.01763	1.2
68.99673	0.4
69.03316	0.6
71.01257	8.4
71.01656	0.5
71.20533	0.5
71.20864	0.7
71.62897	0.4
72.01581	0.4
72.99175	1.3
73.02837	2.3
75.00756	0.6
79.01768	1.0
83.01264	2.2
83.04879	0.5
84.94227	0.4
85.02831	4.3
87.00745	1.5
89.02324	3.8
95.01257	2.0
97.02842	1.3
99.00752	1.3
101.02323	6.1
101.17516	0.4
104.47161	0.4
107.01278	4.6
108.02065	0.7
109.02827	0.7
109.99999	0.4
111.00784	2.5
113.02340	3.2
119.03418	0.8
123.00775	15.3
123.04374	2.2
124.01598	1.1
125.02348	16.0
126.02707	0.6
127.00231	1.1
129.01797	0.5
136.98703	1.6
137.02380	0.4
139.00284	4.9
140.01067	4.2
141.01813	2.8
143.03386	0.5
149.04440	0.4
151.00281	12.5
152.00932	0.6
153.01802	1.3
161.04514	0.5
163.03923	0.8
168.00554	4.0
169.01347	22.2
170.01653	1.1
177.09081	0.6
179.07022	0.9
181.04933	0.8
193.01335	0.5
193.12305	0.4
195.02856	0.4
203.03293	0.5
211.02457	1.3
214.53352	0.5
237.11304	0.6
253.03485	0.4
271.04590	1.6
285.09818	1.1
313.05634	1.9
394.91241	0.5
417.13962	100.0
418.14340	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	417.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02125	0.5
52.78330	0.4
55.01740	1.3
56.48495	0.4
57.03307	0.7
59.01252	7.0
63.58484	0.4
67.01743	1.9
69.03308	0.7
71.00900	0.6
71.01258	7.4
71.05198	0.5
71.05510	0.8
72.99178	1.1
73.02816	2.2
79.01768	1.6
83.01242	3.2
85.02820	4.0
85.99924	0.5
87.00739	0.9
89.02316	1.8
93.03327	0.6
95.01274	2.9
97.02811	1.2
98.02366	0.5
99.00764	1.0
101.02325	6.8
106.00438	0.5
107.01274	4.8
109.02837	22.8
111.00764	4.0
113.02354	2.5
113.28875	0.4
120.99510	1.5
121.02845	2.3
123.00770	20.7
124.01574	1.3
125.02338	20.1
126.02679	0.8
127.00224	1.6
136.98715	2.6
137.02321	0.8
139.00275	6.5
140.01091	4.4
141.01848	3.5
141.97693	0.5
150.99142	0.9
151.00275	11.9
151.03845	0.4
151.28720	0.4
153.01794	0.6
161.04439	1.1
163.03973	0.7
163.11136	0.6
165.05486	0.5
166.06281	6.9
166.99741	0.8
168.00557	5.0
169.01347	23.0
170.01654	1.1
174.00137	0.4
181.08630	6.9
183.64868	0.4
193.01338	0.5
208.83867	0.5
209.04405	0.6
211.02347	0.9
223.02422	0.5
229.01144	0.7
247.02449	0.6
271.04459	0.6
301.00012	0.6
313.05475	1.3
344.73633	0.6
405.39124	0.5
417.13879	100.0
418.08994	0.7
418.14249	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	417.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66327	2.2
58.00463	2.1
58.71004	1.8
59.01254	33.2
62.01448	2.1
71.01254	21.5
71.56892	2.7
72.99170	3.6
79.01782	2.5
82.41659	1.8
83.01245	2.1
85.02808	6.0
89.02322	18.3
91.82338	1.7
93.03345	2.2
95.01260	5.0
97.02827	2.2
101.02335	11.3
101.80602	2.0
103.03885	2.6
107.01262	7.2
107.40599	1.9
111.00768	3.6
113.02329	8.8
119.03395	7.2
123.00761	21.8
125.02357	41.2
127.00305	2.9
136.98727	2.6
139.00269	6.1
139.05455	2.1
140.01083	4.8
146.05634	2.1
151.00278	8.5
163.03830	2.0
168.00525	11.2
169.01352	49.0
211.02425	34.2
212.02901	2.7
265.09302	13.9
271.04611	44.7
272.05011	3.5
304.11639	2.4
311.54175	1.8
331.06473	3.9
417.10321	100.0
418.10590	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	417.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03000	3.1
59.01246	23.3
62.09869	2.9
67.01755	7.2
71.01259	17.2
71.07419	6.6
79.67455	2.8
85.02808	13.3
89.02296	14.3
95.01243	10.6
101.02337	13.3
103.03899	26.2
107.01237	6.9
110.87431	2.7
111.00748	7.5
113.02299	4.1
119.03426	5.8
121.02832	4.1
123.00765	4.8
125.02342	26.8
126.36631	2.9
137.02324	3.5
139.00307	19.0
140.01082	3.4
140.15727	2.7
149.02348	3.2
164.98192	3.9
168.00540	11.8
169.00195	3.2
169.01343	36.0
191.05458	8.6
193.04970	3.5
196.45825	3.2
211.02414	48.1
265.09250	67.1
271.04608	62.4
272.04834	3.9
331.06601	7.6
332.15512	3.0
417.10251	100.0
418.10699	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54994	0.6
70.05641	3.0
70.05989	0.8
107.01263	0.9
132.02036	0.9
151.00276	1.9
155.32721	0.6
156.58981	0.6
156.67778	0.6
159.18198	0.8
183.04539	1.3
208.76855	0.6
211.03893	2.0
221.45068	0.7
227.03455	71.8
227.77739	0.7
228.03775	4.8
229.05046	1.7
255.02972	86.6
256.03555	13.8
257.04395	1.4
284.03262	84.1
285.03955	30.1
286.04343	2.3
289.53864	0.7
417.08270	100.0
418.08600	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	417.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	2.6
59.01251	29.0
67.01737	4.1
70.31998	5.7
70.32394	4.7
71.01256	17.6
72.71059	2.6
80.14303	2.7
85.02818	17.1
87.00779	2.8
89.02318	17.5
93.03300	4.2
95.01255	7.7
99.00713	2.5
101.02300	11.5
103.03891	31.0
103.24226	2.5
107.01231	4.7
113.02306	8.4
119.03352	7.9
123.00789	6.2
125.02335	32.6
137.02332	3.8
139.00244	11.6
140.01001	3.1
145.02795	2.8
149.02383	3.4
151.00287	4.6
163.03955	3.4
164.98207	3.4
166.99797	3.0
168.00523	16.1
169.01347	55.7
179.03462	3.2
191.05519	5.5
211.02422	61.8
211.23088	2.7
212.02739	5.0
238.31706	2.6
265.06479	4.0
265.09290	77.3
266.09598	4.9
271.04562	83.0
272.04831	8.1
313.05713	3.5
331.06589	8.8
387.41794	2.8
417.10251	100.0
417.18323	4.8
418.10718	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.3
65.00198	0.3
67.10156	0.2
69.32467	2.0
83.01266	0.6
88.58028	0.2
93.03338	0.4
96.37379	0.2
107.01249	0.6
119.03422	0.2
121.02808	0.2
132.02063	0.4
135.00726	0.4
143.04918	0.3
151.00284	1.8
152.00958	0.2
153.01816	0.4
156.38893	0.2
159.04381	0.3
163.00285	0.7
164.01125	0.3
165.01872	0.2
166.02626	0.6
169.01332	0.4
171.04422	0.3
174.03140	0.2
175.03874	0.2
176.01091	0.3
178.99797	0.6
181.04927	1.1
182.03604	0.4
183.04411	1.5
185.02414	0.2
185.06091	0.4
187.03983	0.4
189.05458	0.2
199.03889	0.3
200.04860	0.2
211.03914	2.2
213.05479	0.3
227.03452	63.6
228.03816	4.6
229.04948	1.3
239.03432	0.7
241.04955	0.3
243.03036	0.4
255.02972	80.1
256.03537	11.9
257.04422	1.5
267.03009	0.2
269.04620	0.3
283.02295	0.4
284.03259	82.7
285.03925	23.4
286.04385	1.5
313.07370	0.3
327.05273	1.3
417.08258	100.0
418.08594	13.3
418.16858	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	4.4
62.02821	0.8
71.01262	2.1
71.45215	0.9
71.45554	1.6
82.59563	0.9
85.02819	1.4
89.02315	1.4
101.02335	2.3
108.82026	0.9
113.02267	1.1
122.00872	0.8
157.06509	1.0
159.04448	0.8
161.05988	2.4
166.97787	0.8
171.04289	0.8
173.06018	2.0
177.01881	1.7
183.04391	1.5
185.05968	1.3
189.05411	0.8
190.02698	1.3
193.01340	2.1
198.03111	0.9
199.03978	2.1
201.01740	1.0
201.05510	3.7
203.03358	1.5
209.54306	0.9
211.03943	3.5
212.04863	0.9
213.01945	1.5
214.02641	2.5
215.03499	1.1
217.05119	2.1
218.02272	0.9
221.00867	4.2
227.03416	7.8
228.04102	2.4
229.01314	0.9
229.05019	5.5
230.02188	1.4
232.00113	0.8
239.03445	2.4
240.04251	1.6
242.02214	4.6
243.02924	2.9
244.03709	1.2
245.00789	1.3
245.04529	7.3
246.01726	1.7
255.03012	12.4
256.03668	2.9
257.04514	3.8
258.01712	4.1
259.02411	3.5
259.99606	1.4
261.00323	1.2
267.02811	1.0
270.01575	1.2
271.02533	1.4
272.03162	1.0
273.00418	2.5
273.04016	4.9
274.01227	12.7
275.01508	1.2
279.02954	1.2
282.01465	1.2
283.02475	9.6
284.03268	9.2
285.00580	1.0
285.03680	0.9
286.01276	1.7
287.01929	1.7
297.07819	1.0
299.02017	2.9
300.02698	4.7
301.03534	100.0
302.03812	9.0
309.07709	1.7
312.02750	1.2
325.03571	1.6
327.08502	1.1
337.07114	2.7
337.99390	0.9
341.06778	1.0
345.06030	1.4
352.11627	0.9
355.08224	32.8
356.08588	3.4
373.09290	72.8
374.09653	7.2
417.08255	55.9
417.20480	1.5
418.08640	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	417.0828
Annotation	5,3'-Dihydroxy-3,8,4',5'-tetramethoxy-6,7-methylenedioxyflavone
Peak:m/z	Relative Intensity
53.10292	0.5
58.00447	0.7
59.01252	13.3
63.22779	0.6
71.01254	8.3
71.57845	0.9
73.02809	1.4
83.01235	1.1
84.83981	0.6
85.02805	2.1
89.02319	7.6
93.03323	0.6
95.01250	0.9
99.00725	0.7
101.02332	5.6
113.02304	3.0
114.10644	0.6
114.14525	0.7
119.03405	3.3
121.97316	0.5
123.00797	0.5
125.02354	1.0
135.38475	0.6
136.09758	0.6
143.03334	0.5
143.04944	0.7
158.03560	0.9
159.04399	0.8
161.02322	0.9
161.04416	1.5
161.05969	1.8
163.00253	0.7
167.04950	0.7
171.04446	1.4
172.05124	0.9
173.06042	2.7
176.01109	0.9
177.01836	2.2
179.05510	0.7
183.04399	1.7
185.06012	1.8
188.39494	0.6
189.01874	0.8
189.05464	0.7
190.02643	1.3
193.01329	3.2
198.03084	0.8
199.03935	1.8
200.04742	0.6
201.01862	0.7
201.05545	4.3
202.02565	1.5
203.03352	0.8
204.00658	0.6
205.01369	1.6
211.03958	3.5
213.01840	0.9
213.05438	1.2
214.02621	2.4
215.03458	1.2
216.00525	0.6
216.04227	1.5
217.01418	0.9
217.05052	3.6
218.02145	1.7
221.00812	2.9
226.02690	1.4
227.03433	10.0
228.00652	0.7
228.04071	0.8
229.01450	1.3
229.05023	7.9
230.02115	2.3
231.02902	1.3
232.00021	0.7
237.14902	0.8
239.03444	2.8
240.04135	1.4
241.04976	1.0
242.02190	4.0
243.02948	3.1
244.03798	0.8
245.00821	1.3
245.04536	7.2
246.01633	1.8
247.02220	0.6
254.02174	1.2
255.02968	15.2
256.03601	3.1
257.01016	0.5
257.01965	0.6
257.04514	4.9
258.01706	3.5
259.02527	4.4
261.00342	1.2
271.02502	2.2
272.03174	1.9
273.00375	3.2
273.03992	5.9
274.01227	14.2
275.01697	1.5
279.03000	0.9
281.04410	0.7
281.08157	0.7
283.02475	11.6
284.03226	10.0
285.00366	1.3
285.03772	1.7
286.01096	0.7
287.01913	1.8
288.02728	0.8
299.01944	4.0
299.09000	0.7
300.02692	5.7
301.03510	100.0
302.03879	10.4
308.03128	1.0
309.04132	1.3
309.07672	2.0
311.09207	1.0
312.02695	1.6
313.06860	0.7
325.03543	1.7
326.04272	1.2
327.08377	1.2
329.02957	0.6
329.06616	0.9
337.07144	2.2
338.07932	0.9
340.05984	0.8
345.06046	0.7
355.08221	30.1
356.08533	3.3
357.06052	0.9
373.09274	82.7
374.09552	9.4
383.71283	0.6
417.08243	75.4
418.08600	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3221
Annotation	5alpha,8alpha-Epidioxycholest-6-en-3beta-ol
Peak:m/z	Relative Intensity
62.09945	0.2
65.64066	0.2
69.89693	1.0
73.02850	0.2
98.19764	0.3
106.62827	0.2
117.23479	0.2
224.30675	0.2
229.78883	0.2
273.22235	0.4
331.74765	0.2
333.24350	0.5
415.32190	100.0
416.32501	13.7
418.04758	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.7
62.99307	1.0
65.74212	0.9
69.19063	1.1
69.53459	6.0
69.53867	2.5
85.02860	1.1
95.71780	1.1
98.20595	1.0
125.08823	1.0
125.84285	0.9
145.89935	1.2
151.00256	2.5
163.00314	1.1
183.04399	2.2
185.06050	1.8
187.03877	1.3
200.39912	1.1
211.03955	3.0
212.61385	1.2
227.03459	71.7
228.01494	1.0
228.03799	4.5
228.55171	1.1
229.05116	4.0
254.16286	1.2
255.02966	100.0
256.03568	12.4
257.04541	2.6
284.03268	92.6
285.04016	66.1
286.04428	4.6
371.20334	1.5
373.08417	1.7
417.08249	62.7
418.08484	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	415.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.6
66.81875	1.0
71.56058	1.7
74.98966	5.8
77.00538	79.9
82.99570	1.0
101.02298	1.1
114.19048	0.9
117.04832	1.0
147.08049	2.3
149.09558	1.6
161.09679	1.9
163.11203	2.7
187.11183	1.6
279.46979	1.0
280.14304	1.2
309.22247	3.5
337.21741	100.0
338.22150	13.2
364.93298	1.2
415.23651	6.5
415.28403	4.2
415.32321	4.2
416.23691	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	415.2853
Annotation	24beta-Methoxyscalarolide
Peak:m/z	Relative Intensity
51.44080	0.3
55.01731	0.3
57.03312	0.8
59.01246	0.6
71.00662	0.5
71.04906	1.4
73.11536	0.3
73.38731	0.3
83.04892	1.0
85.06460	0.7
86.60248	0.3
95.04881	0.3
97.06457	1.6
105.52365	0.3
107.07201	0.3
113.65688	0.3
137.09653	1.5
149.09563	0.4
151.11159	0.3
211.14302	0.3
271.20749	0.6
281.87372	0.3
287.23804	0.4
299.24020	0.4
313.25302	0.6
329.24753	0.4
337.25479	0.5
339.23312	0.8
341.24734	0.5
343.26447	0.8
344.26840	0.3
353.24722	0.9
353.28519	1.9
355.26410	5.3
356.26697	0.8
369.28043	2.7
371.29544	25.7
372.29837	3.2
385.27344	1.1
386.27847	0.3
397.27429	2.2
398.27859	0.5
415.28537	100.0
416.28854	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	415.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	3.0
66.29903	1.7
68.82440	1.4
70.61526	5.2
71.01250	3.5
88.98680	7.9
89.02331	3.5
90.29256	1.6
96.95889	7.1
98.20498	1.6
108.09075	1.7
147.08069	2.8
161.37843	1.6
165.05219	4.8
177.05307	2.5
209.04308	4.2
323.90714	1.8
353.28476	2.5
355.26538	6.1
356.22372	1.5
369.27878	2.4
371.29596	25.5
385.27808	1.8
415.28574	100.0
416.28821	9.6
435.24908	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1978
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
51.61912	0.5
55.01767	1.4
56.89297	0.5
57.03324	1.0
58.00475	1.6
59.01254	100.0
60.01595	0.6
60.11866	0.5
69.03328	1.4
69.30144	2.9
69.30569	2.3
71.01257	24.3
72.99183	1.6
73.02834	3.6
73.03176	0.6
76.16248	0.5
79.16302	0.5
81.41033	0.5
83.01262	2.2
84.64931	0.5
85.02828	7.6
85.03301	0.9
87.00774	1.5
89.02320	19.4
89.10904	0.5
89.48645	0.5
90.02703	0.7
95.01285	1.7
97.02834	0.6
98.19840	1.2
99.00760	1.5
101.02325	19.2
113.02330	9.9
119.03401	10.2
125.02313	0.7
126.04269	0.5
128.35764	0.5
131.03377	0.8
143.03413	1.5
149.04449	0.8
161.02399	0.5
161.04446	3.1
165.03951	0.6
173.13232	0.8
179.05519	0.9
182.10088	0.5
235.13377	2.2
245.00989	2.4
246.98898	0.7
274.01190	2.1
283.02448	0.5
299.09253	0.6
353.19708	1.4
355.17700	2.3
371.07806	2.6
383.03806	0.5
397.18695	3.2
415.07071	8.7
415.19736	80.9
416.07486	0.5
416.20139	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.9
57.03304	1.4
59.01257	15.1
61.86348	0.4
65.00187	0.7
67.01760	1.0
69.03318	0.8
71.01257	13.3
71.57903	0.6
72.99166	1.8
73.02827	2.9
79.01774	1.3
83.01252	3.0
85.02826	5.4
87.00756	0.9
89.02334	5.6
90.36176	0.4
91.01746	0.7
95.01266	3.5
96.95903	0.6
97.02818	1.3
99.00736	1.7
101.02323	8.8
102.98522	0.5
107.01272	3.5
111.00745	3.4
113.02332	5.3
119.01239	0.7
119.03378	1.9
119.04856	0.5
121.02802	0.5
123.00772	18.2
123.65463	0.5
124.01555	1.4
125.01458	1.0
125.02344	18.2
126.02663	0.5
127.00246	0.9
136.98660	2.0
137.02303	0.8
139.00261	6.2
140.01057	5.6
141.01866	3.3
143.03325	0.7
145.02859	0.7
146.03525	0.6
147.00780	2.9
150.99150	0.8
151.00287	11.6
153.01851	0.9
154.01346	1.6
154.99680	0.5
155.06985	0.7
159.02859	0.9
161.02397	0.7
161.04466	2.7
161.13242	1.6
163.03876	0.9
165.01787	0.5
167.03473	0.5
168.00539	6.1
169.01347	18.9
170.01714	1.1
173.13469	0.5
175.00250	1.6
177.01788	0.8
189.02162	0.5
191.14345	1.1
202.02612	0.5
202.99809	7.8
203.03207	0.8
211.02339	1.0
214.02576	0.4
219.10133	0.5
221.04767	0.4
227.03477	0.7
229.01297	1.0
230.02094	0.7
230.20187	0.5
230.99269	0.9
235.13350	2.3
241.05009	0.6
245.00887	1.8
246.01425	0.7
246.98804	13.5
247.99184	0.8
253.08554	0.5
253.14378	1.0
255.02950	1.0
257.00760	0.7
269.00800	1.4
274.01166	2.7
282.01535	1.0
299.01944	0.9
299.09277	0.7
302.00372	0.5
313.05801	0.9
327.08630	0.8
339.05023	0.6
343.08218	1.0
353.06793	0.6
353.19354	1.3
353.97192	0.5
371.07666	6.9
371.21207	0.7
372.08075	0.8
397.05533	0.7
415.07184	24.9
415.15988	100.0
416.07343	3.1
416.16333	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	415.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.9
57.03304	1.4
59.01257	15.1
61.86348	0.4
65.00187	0.7
67.01760	1.0
69.03318	0.8
71.01257	13.3
71.57903	0.6
72.99166	1.8
73.02827	2.9
79.01774	1.3
83.01252	3.0
85.02826	5.4
87.00756	0.9
89.02334	5.6
90.36176	0.4
91.01746	0.7
95.01266	3.5
96.95903	0.6
97.02818	1.3
99.00736	1.7
101.02323	8.8
102.98522	0.5
107.01272	3.5
111.00745	3.4
113.02332	5.3
119.01239	0.7
119.03378	1.9
119.04856	0.5
121.02802	0.5
123.00772	18.2
123.65463	0.5
124.01555	1.4
125.01458	1.0
125.02344	18.2
126.02663	0.5
127.00246	0.9
136.98660	2.0
137.02303	0.8
139.00261	6.2
140.01057	5.6
141.01866	3.3
143.03325	0.7
145.02859	0.7
146.03525	0.6
147.00780	2.9
150.99150	0.8
151.00287	11.6
153.01851	0.9
154.01346	1.6
154.99680	0.5
155.06985	0.7
159.02859	0.9
161.02397	0.7
161.04466	2.7
161.13242	1.6
163.03876	0.9
165.01787	0.5
167.03473	0.5
168.00539	6.1
169.01347	18.9
170.01714	1.1
173.13469	0.5
175.00250	1.6
177.01788	0.8
189.02162	0.5
191.14345	1.1
202.02612	0.5
202.99809	7.8
203.03207	0.8
211.02339	1.0
214.02576	0.4
219.10133	0.5
221.04767	0.4
227.03477	0.7
229.01297	1.0
230.02094	0.7
230.20187	0.5
230.99269	0.9
235.13350	2.3
241.05009	0.6
245.00887	1.8
246.01425	0.7
246.98804	13.5
247.99184	0.8
253.08554	0.5
253.14378	1.0
255.02950	1.0
257.00760	0.7
269.00800	1.4
274.01166	2.7
282.01535	1.0
299.01944	0.9
299.09277	0.7
302.00372	0.5
313.05801	0.9
327.08630	0.8
339.05023	0.6
343.08218	1.0
353.06793	0.6
353.19354	1.3
353.97192	0.5
371.07666	6.9
371.21207	0.7
372.08075	0.8
397.05533	0.7
415.07184	24.9
415.15988	100.0
416.07343	3.1
416.16333	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	415.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	6.9
57.03326	5.7
58.00463	2.3
59.01251	51.9
67.66005	0.5
68.99698	0.7
69.03333	2.6
69.45627	3.5
69.46044	1.1
71.01254	94.6
71.96438	0.5
72.01594	1.0
72.99181	5.1
73.02819	41.4
74.33953	0.5
75.00738	2.3
81.03336	1.4
83.01257	29.7
84.01598	0.9
85.02823	48.9
85.99968	0.9
86.03175	0.6
87.00751	4.8
87.04459	0.6
89.02312	11.2
95.01271	5.8
97.02810	5.3
98.19802	1.1
99.00760	17.3
101.02322	92.4
102.02659	1.3
103.03891	6.7
107.04914	1.3
109.02811	0.7
111.00765	1.3
113.02333	37.3
114.02685	0.7
115.03848	0.9
119.03391	2.2
125.02325	8.0
125.03143	0.9
127.03905	1.2
129.01839	2.0
135.04405	0.9
143.03391	6.4
145.04948	2.0
159.02904	9.1
161.04466	70.7
162.04808	2.1
163.06091	2.5
169.01326	1.0
179.03427	0.7
205.03464	1.4
205.07095	0.7
229.07071	1.2
247.08224	4.2
269.10297	100.0
270.10608	6.8
307.10483	0.5
353.06656	0.7
415.16333	21.6
416.16623	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	5.0
57.03332	18.0
58.00459	4.9
59.01251	76.5
69.03326	3.1
70.05225	9.0
71.01254	100.0
72.99184	18.1
73.02824	26.7
75.00748	15.4
83.01260	10.1
83.01955	1.8
85.02829	36.2
85.99963	1.7
87.00755	21.1
89.02317	59.6
89.70639	1.9
92.89816	1.5
93.00610	2.1
94.31426	1.8
95.01276	6.3
95.69133	1.6
97.02814	3.4
99.00755	15.9
101.02324	56.4
103.00229	9.9
104.10694	1.8
105.01810	4.8
105.24976	1.7
107.04906	2.3
109.06471	4.9
113.02338	37.7
115.03918	2.1
119.03398	7.9
123.00777	2.7
123.04372	6.4
123.08028	8.7
125.02341	8.0
131.03391	15.6
135.02921	2.0
143.03395	3.7
149.04451	6.4
149.09619	2.2
151.11261	3.1
153.05550	4.3
159.02895	6.5
161.04471	31.9
163.11240	2.4
169.01393	2.1
173.81244	1.7
175.02332	8.6
175.07570	2.2
177.12848	2.6
179.05447	1.9
191.03613	1.7
191.05547	2.5
191.10735	11.1
193.03479	7.6
195.06601	2.4
195.13823	14.2
209.11890	2.1
221.11800	7.1
233.06619	2.8
235.09721	4.0
239.12849	35.8
255.12375	6.7
270.13333	2.0
281.13995	5.3
283.11874	34.0
285.00308	2.0
293.21771	2.0
301.03656	2.5
327.05261	2.0
371.07672	7.5
397.15274	2.3
415.07669	19.9
415.16129	84.3
416.07440	3.5
416.16534	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	415.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11474	0.8
57.03338	1.4
58.00466	3.4
59.01252	68.5
60.01588	0.9
65.78870	0.8
69.03314	0.9
69.32458	7.3
71.01254	53.6
72.99172	4.0
73.02818	14.9
75.00748	1.0
83.01252	0.9
85.02821	7.5
86.07637	0.8
87.00745	2.6
89.02319	100.0
90.02652	1.6
95.01248	1.3
96.95904	0.9
97.02827	1.4
98.16405	0.7
99.00757	25.9
100.01086	1.4
101.02323	36.7
113.02336	10.8
119.03390	8.1
125.02349	5.7
128.87947	0.8
131.03400	17.5
137.51273	0.8
143.03381	1.5
149.04465	51.9
150.04797	1.4
161.04419	3.1
179.05537	2.6
191.05542	11.4
192.05826	1.0
221.06566	2.0
251.07700	2.4
261.00244	1.0
300.33578	0.9
367.65588	0.8
371.07779	1.7
400.38803	0.9
415.07065	5.0
415.16022	5.5
416.07373	1.0
416.16165	1.3
432.91696	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90027	0.4
51.00259	0.4
55.01755	0.6
59.01250	6.4
67.01748	0.9
69.03334	0.8
69.56612	2.6
71.00883	0.6
71.01250	5.1
71.04881	0.6
72.99192	0.7
73.02853	0.6
73.06464	0.4
73.27050	0.4
78.93819	0.4
79.01753	1.5
83.01275	1.4
83.04907	0.9
85.02833	2.2
89.02307	2.5
95.01280	2.8
97.02834	1.6
98.20528	0.7
99.00771	0.8
101.02315	2.6
101.05907	0.4
103.26386	0.4
107.01259	4.4
111.00786	3.4
113.02343	2.2
119.03408	0.8
123.00774	18.1
124.01581	1.1
125.02340	19.7
126.02647	0.7
127.00252	1.3
136.98723	2.0
137.02267	0.4
139.00275	5.3
140.01059	5.5
141.01825	2.7
148.91380	0.4
151.00278	13.8
153.01782	0.9
154.99707	0.5
159.03015	0.5
168.00552	5.2
169.01341	29.2
170.01698	1.2
177.03946	1.1
211.02412	4.8
218.27843	0.4
225.35765	0.4
253.03658	0.4
259.10391	0.4
271.04559	3.6
313.05545	1.5
415.12454	100.0
416.12729	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	415.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81326	0.4
57.03326	4.4
59.01250	8.6
64.27540	0.4
67.01762	0.8
68.99670	0.6
69.03333	0.5
69.51534	1.5
69.51962	1.9
71.01254	10.5
72.99181	7.0
73.02816	2.3
75.00749	10.3
80.68696	0.4
81.03311	2.6
83.01261	1.1
83.04900	1.4
85.02831	8.0
87.00747	3.0
89.02315	1.8
93.03331	0.9
95.01257	4.2
97.02853	0.7
99.00777	1.4
101.02319	2.4
103.00230	0.5
105.01811	4.3
107.01273	0.6
108.02055	61.0
109.02846	43.9
110.03186	1.5
111.00771	1.5
113.02332	2.4
119.03377	0.8
121.02842	1.9
121.06464	1.4
123.00765	6.1
123.08051	0.9
124.01583	0.6
125.02340	1.7
129.01840	13.3
135.02879	2.2
136.98721	0.7
139.00302	1.3
140.01027	1.7
147.02895	6.4
149.05992	0.5
151.00304	0.6
151.03899	1.5
152.01060	67.9
153.01849	23.9
153.02921	0.4
154.02174	0.8
157.65588	0.5
161.04538	0.7
163.03917	1.1
165.01807	1.3
165.09113	3.0
166.99706	0.5
168.00558	2.3
169.01317	2.1
191.01901	3.8
191.10793	0.6
193.03372	0.5
204.61545	0.4
237.05966	0.7
247.98969	0.4
271.04456	0.4
296.81152	0.4
297.06067	1.0
315.07269	4.3
316.07321	0.5
357.08298	15.1
358.08725	0.9
371.07635	0.6
397.06635	0.7
397.11292	5.6
398.11725	0.5
415.12357	100.0
416.12759	9.7
416.17969	0.7
437.04596	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72703	1.2
54.64465	1.3
59.01249	9.6
60.14714	1.1
62.78035	1.3
63.75189	1.1
65.63747	1.3
69.68904	9.3
69.69459	1.2
71.01260	4.1
72.99189	1.3
77.55486	1.4
85.02844	2.6
89.02279	1.8
95.01252	3.5
98.19803	3.1
101.02273	1.6
107.01267	6.3
111.00792	4.0
115.22525	1.4
117.03371	1.7
123.00758	12.9
124.01575	2.3
125.02351	29.6
127.00188	1.2
136.98683	2.8
139.00250	4.6
140.01030	5.2
141.01785	2.0
151.00284	5.9
161.02461	1.5
165.01823	1.7
167.03323	1.5
168.00569	15.5
169.01349	42.7
175.03870	1.6
191.03358	1.9
201.01808	1.8
211.02434	58.8
212.02759	3.5
229.01392	1.7
241.03487	1.9
247.02519	2.0
249.04103	1.6
249.68584	1.4
262.29877	1.3
271.04587	100.0
272.04871	7.6
275.02112	2.5
300.99960	9.1
331.06705	10.0
357.16315	1.4
359.33551	1.3
415.12625	24.1
416.12927	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	415.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85308	1.6
56.05748	1.7
57.10196	1.6
59.01255	3.2
69.09574	1.6
71.01254	2.8
90.95999	1.4
98.20596	2.6
103.03882	1.7
106.05070	1.9
107.48785	1.7
112.00004	1.6
125.02370	2.1
133.02823	2.2
146.03592	2.9
147.04414	1.9
157.33594	2.0
159.04465	2.9
165.98819	1.9
171.04404	3.1
173.02345	2.7
174.03163	4.3
177.01927	3.1
185.02341	3.4
187.03960	3.2
189.01868	7.4
190.02600	18.1
197.02316	2.0
198.03125	3.3
199.03876	6.0
200.00998	2.4
201.01842	7.3
202.02661	7.1
203.03458	2.2
211.03780	1.9
213.01785	5.0
214.02669	4.2
215.03491	9.7
216.00626	3.6
216.04201	12.6
217.01414	3.6
218.02144	18.1
225.01886	2.1
226.02641	4.2
227.03424	10.3
228.00624	6.3
229.01418	9.7
230.02162	7.9
231.03036	2.5
241.01347	2.9
243.02943	26.2
244.00174	1.8
244.03606	9.0
245.00909	6.2
246.01649	4.8
253.01309	4.9
254.02246	8.3
255.03004	8.8
256.00195	3.2
256.03741	2.5
257.00839	11.5
258.01678	15.0
259.02548	4.9
269.07968	2.0
270.98935	3.8
271.02487	14.8
272.03201	5.8
273.00409	16.6
274.01184	57.9
275.01672	2.9
282.01678	6.4
283.02545	10.3
285.00418	11.1
286.01166	5.8
287.01981	6.6
288.99902	12.0
298.98654	3.2
299.01932	43.4
299.99130	6.0
300.02689	60.2
300.99829	11.8
301.03427	12.3
302.00668	59.8
303.01105	4.0
310.01242	5.5
311.01932	6.3
312.99933	3.2
314.00684	6.3
315.01514	5.0
325.07135	3.1
327.01535	6.0
327.08798	3.5
328.02213	36.2
328.05826	3.5
328.99359	35.3
329.02884	3.5
330.00168	99.4
331.00623	6.4
332.72876	1.8
339.05319	2.3
343.08234	6.6
344.98947	7.6
353.06509	5.3
361.99191	17.6
362.24744	1.8
371.07697	64.1
372.08032	4.6
397.05795	2.6
415.06696	100.0
416.07019	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	415.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48407	0.7
55.98780	0.9
59.01241	2.7
62.46106	1.0
63.37410	0.8
71.01259	1.0
71.06909	2.0
71.07259	1.1
89.02282	1.2
127.33810	1.0
145.02840	1.2
146.03708	1.6
161.02303	1.1
169.84422	0.8
172.05055	0.8
173.02359	2.2
174.03117	2.6
177.01883	1.2
178.02626	1.0
182.03625	1.0
184.05139	1.1
185.02350	1.3
186.03195	0.9
187.03975	2.0
189.01880	6.1
190.02663	20.4
198.03232	1.3
199.03912	2.0
200.01068	2.5
201.01868	4.3
202.02629	7.7
203.03340	1.7
205.01396	1.5
213.01801	2.6
214.02592	2.1
215.03380	3.2
216.04248	3.8
217.01376	2.4
218.02150	25.1
219.02434	1.2
222.01535	3.6
225.01843	1.6
226.02695	2.4
227.03491	4.7
228.00571	7.2
228.04062	1.3
229.01329	5.5
230.02150	5.9
231.02882	1.0
242.99333	1.8
243.02951	9.8
244.00095	2.1
244.03612	2.5
244.36893	1.0
245.00940	5.2
246.01639	4.5
253.01463	1.3
254.02107	3.0
255.02905	3.1
256.00092	3.1
256.03741	3.1
257.00888	13.6
258.01718	8.8
259.02335	2.5
269.00934	1.4
270.98862	4.3
271.02512	4.9
273.00421	9.4
274.01178	57.5
275.01523	3.8
281.00775	1.4
281.08099	1.2
282.01691	3.8
283.02490	4.2
285.00403	4.2
286.01093	3.2
287.01944	2.5
288.02618	1.3
288.99927	12.5
298.98303	2.6
299.01932	13.3
299.09286	4.8
299.99045	3.8
300.02661	21.6
300.99847	11.7
301.03406	4.7
302.00668	61.7
303.01010	4.8
311.01883	1.3
312.99908	2.6
314.00647	4.5
315.01605	2.1
325.00046	2.1
325.07181	2.1
327.01495	1.3
327.08621	1.8
327.98666	1.7
328.02228	9.3
328.95328	1.1
328.99368	45.5
330.00150	100.0
331.00436	8.3
343.08130	4.8
344.98874	10.7
353.06467	5.2
361.99146	19.7
371.07693	28.9
372.07974	3.7
397.05661	2.2
415.06647	43.8
416.07037	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	415.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35889	0.5
59.01257	3.0
62.48682	0.4
64.98973	0.5
69.03358	0.6
69.92023	1.0
69.92439	1.7
71.01248	3.6
72.99143	0.5
73.02818	0.7
75.60909	0.4
89.02332	2.6
94.67058	0.4
98.03825	0.5
99.00734	0.6
101.02318	1.1
110.10073	0.4
111.28291	0.4
113.02315	1.0
121.06481	1.5
123.00751	0.8
125.02319	2.0
131.03354	0.8
149.04388	0.6
160.01590	0.6
161.02258	0.9
163.00346	0.5
169.01341	1.1
175.03931	1.0
177.01884	0.6
189.01831	1.5
191.03392	0.6
192.00545	0.7
193.01326	0.8
198.03146	0.7
199.04016	1.0
200.04637	0.5
202.02655	0.5
204.00493	0.6
211.03984	1.3
211.07457	0.6
213.01788	0.5
214.02728	1.2
215.03291	0.9
217.01433	1.3
224.04774	0.6
225.05460	1.1
226.02567	0.6
227.03465	11.1
228.04205	1.5
229.01285	2.1
229.05060	0.7
230.02051	0.8
230.99301	1.6
231.02939	0.6
232.00005	2.3
233.00775	0.9
239.03368	1.1
240.04185	1.8
241.04907	2.2
242.02142	0.9
242.05637	0.7
243.02884	1.6
243.06532	1.7
245.00879	10.2
246.01495	1.2
253.01485	2.2
253.08598	0.5
254.02010	1.0
254.05936	0.7
255.02913	4.8
255.06610	4.6
256.03687	1.7
256.07291	1.7
257.00851	1.4
257.04462	2.1
257.08221	1.0
258.01642	1.8
265.05069	0.7
267.02975	0.6
267.06458	0.7
269.01074	4.1
269.04291	3.4
269.08023	0.6
270.01355	0.6
270.05109	0.8
271.02481	3.8
271.05969	1.5
271.09827	1.3
272.03070	1.5
273.00406	1.2
273.03949	0.8
274.01215	1.5
280.03754	0.9
281.00922	1.6
281.04395	1.0
281.08142	1.0
282.01697	0.9
283.02509	1.7
283.06149	4.4
283.09460	0.8
284.03311	0.9
284.06863	4.1
285.00412	6.5
285.03879	1.2
285.07446	0.7
286.00958	0.7
287.09268	0.6
295.02484	1.7
296.03226	0.9
297.00638	0.7
297.04016	1.8
297.07474	0.8
298.01306	1.1
298.04733	0.9
299.01965	8.3
299.05579	3.4
299.09219	3.3
300.02798	1.0
300.06323	1.5
301.03537	3.9
301.07193	2.6
302.04269	1.1
309.04227	0.9
309.07721	1.6
310.04883	0.9
311.02032	0.8
311.05588	1.2
313.03519	1.3
315.08707	1.8
324.02744	0.6
324.99939	0.6
325.03525	1.9
325.07196	2.3
327.01657	0.7
327.05084	2.4
327.08765	7.6
328.05853	1.6
343.08182	3.4
353.02890	2.3
353.06726	4.9
354.07321	0.7
371.07700	43.3
372.08038	3.8
397.05606	7.7
398.06113	0.7
415.06708	100.0
416.07071	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	415.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36842	3.0
59.01249	10.7
71.01258	4.9
71.16348	2.7
71.58057	3.8
78.95848	3.0
80.76301	2.6
81.05223	2.6
82.45207	2.6
93.03352	5.2
101.02347	4.1
121.02851	3.7
123.00761	4.7
125.02352	4.6
132.02087	4.0
137.02332	5.8
158.03851	3.1
159.04442	3.3
166.41599	3.2
172.05276	2.9
173.06042	3.6
174.03151	4.1
177.01825	3.6
181.06573	3.4
185.06018	3.1
188.01099	5.8
188.04660	4.1
189.01915	6.6
190.02687	10.2
195.04553	3.2
196.05389	3.2
197.09659	5.8
199.03966	6.5
200.01077	6.7
200.04633	5.7
201.01942	6.1
201.69707	2.9
202.02628	10.5
209.06067	4.3
211.03981	8.4
211.07558	3.1
213.01939	4.2
213.05496	5.3
213.09286	3.5
214.02684	5.1
214.06322	4.7
215.03479	4.7
215.10738	8.2
216.00557	5.7
216.04224	3.9
217.01459	3.4
218.02116	6.0
223.07600	3.2
224.04768	5.0
225.05588	7.9
225.09126	7.2
226.02798	6.2
226.06126	5.0
227.03487	4.1
227.07097	4.4
227.10771	4.8
228.00587	9.7
228.04283	5.4
229.01453	10.3
230.02119	8.4
237.05539	3.5
239.03296	3.3
239.07216	3.2
240.04260	10.8
241.05020	5.2
241.08664	7.2
242.05737	6.0
243.02907	6.4
243.10237	62.0
244.00148	4.9
245.00867	3.9
253.08711	7.0
254.02495	4.3
255.03084	4.3
255.10275	64.0
255.12836	5.4
256.10617	5.3
257.00906	8.6
257.08194	6.4
258.01596	5.5
268.03818	4.0
269.04343	3.1
269.08258	12.4
270.98816	12.7
271.09726	29.0
273.00436	4.4
274.01187	19.4
281.08209	4.2
282.01614	17.5
283.02640	3.3
283.06668	15.7
283.09305	15.6
293.04666	3.4
297.04681	4.6
297.07617	17.3
298.04791	4.2
298.98471	12.7
299.01959	7.1
299.09286	58.8
299.99161	32.3
300.02698	7.5
300.09531	6.5
300.99985	5.5
302.00342	3.6
309.07590	5.5
314.97931	3.1
315.08887	5.2
316.99390	15.5
324.02893	6.2
325.07074	24.0
326.07849	3.7
327.05139	46.2
327.08813	60.5
328.05508	4.3
328.09082	4.2
328.99667	3.4
341.06659	13.1
343.08289	7.4
353.06644	52.3
354.07193	6.6
371.07684	98.4
372.07904	8.6
397.05603	89.7
398.05997	12.6
415.06784	100.0
416.07278	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	415.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34788	0.9
59.01247	15.4
63.15037	0.9
68.99692	3.9
69.31124	8.1
69.31525	1.5
71.01254	7.8
73.02822	1.4
83.01259	2.0
85.02842	2.3
87.00731	1.4
89.02295	5.2
95.01254	2.0
96.95910	1.9
98.19760	1.8
101.02335	3.8
106.04157	1.0
111.00694	1.1
113.02328	2.2
119.03371	2.2
123.00744	1.9
125.02361	2.6
135.04428	4.9
137.02347	2.1
145.02782	1.1
151.00256	1.6
159.04445	1.0
160.01617	1.9
161.02232	1.0
161.04451	1.8
162.02029	1.0
164.01172	0.9
169.01396	1.6
175.03949	4.1
175.05347	1.0
176.01048	1.1
176.04262	2.1
176.25446	1.0
177.01707	1.3
177.04276	1.1
187.03839	1.4
189.01668	1.4
190.02632	3.2
190.99759	1.2
193.01360	4.0
199.03981	1.6
200.04816	1.5
201.01904	1.3
201.09137	1.3
202.02635	2.1
203.03397	1.1
205.01390	1.3
213.01781	1.2
213.05296	1.4
213.09253	1.6
214.02612	3.9
215.03320	1.2
216.00508	1.2
216.04155	1.9
218.02177	3.0
224.77477	1.0
226.02689	2.0
227.03416	4.2
227.10580	1.0
228.04172	2.6
229.01328	2.7
229.08682	2.2
230.02136	3.3
239.03424	1.1
240.04256	2.3
241.04980	2.7
242.02068	1.9
243.02960	4.5
244.03667	1.5
245.00911	2.1
245.08130	2.7
246.01570	1.7
251.03365	1.2
252.04303	2.1
253.08502	2.4
254.02219	1.2
255.03027	3.6
255.06554	2.4
256.03726	4.0
257.00858	1.3
257.04138	1.2
257.08185	3.9
258.01672	16.5
259.02304	2.4
269.04684	1.1
269.08032	2.4
271.02515	4.5
271.09714	3.0
272.03275	8.9
273.00302	2.2
273.03189	1.1
273.07779	3.1
274.01190	8.7
275.01984	1.3
275.09256	2.2
276.02301	1.0
279.06528	1.2
281.08292	2.9
282.01605	1.7
283.02563	1.4
283.06049	2.0
285.00458	2.5
285.07611	1.4
286.01282	1.7
287.02103	1.5
287.09268	3.6
297.07523	1.7
299.02020	3.8
299.09109	7.7
300.02908	2.5
300.06412	9.2
300.99802	1.5
301.07147	38.3
302.07538	3.2
304.02161	1.7
309.07639	2.2
313.07114	2.1
315.08777	6.5
316.09229	1.4
325.07297	2.2
327.08701	4.7
328.05780	1.4
337.03571	2.3
341.06555	1.2
343.08203	16.4
344.08417	1.7
353.06689	10.3
369.06097	4.5
371.07700	84.0
372.08069	8.6
415.06711	100.0
415.15579	3.8
416.07074	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	413.3061
Annotation	14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione
Peak:m/z	Relative Intensity
54.87593	0.1
58.57344	0.1
59.01249	0.1
65.93290	0.1
83.83171	0.1
85.06483	0.3
124.39339	0.1
264.13397	0.2
290.66818	0.1
413.30624	100.0
414.30948	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	414.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60311	3.9
57.03331	6.2
59.01251	68.9
68.06996	4.1
69.65782	21.2
69.66194	10.6
70.46041	4.1
71.01260	64.8
72.00769	7.1
72.99194	9.2
73.02839	10.4
75.00756	7.6
83.01279	6.1
85.02821	31.1
86.02345	10.1
87.00780	10.0
89.02315	36.3
92.42786	3.8
93.03353	15.1
95.01286	7.0
97.02820	5.2
99.00772	11.6
101.02320	38.6
101.64636	4.2
102.01863	16.0
106.06537	12.8
107.01315	4.6
111.00746	4.6
113.02312	27.4
114.01889	10.2
117.01784	4.6
117.78064	3.9
119.01313	4.3
119.03413	11.9
123.00774	28.7
125.02342	19.8
128.03448	28.2
136.59142	4.0
137.02342	37.2
139.00330	8.4
140.01071	4.8
145.02841	9.0
147.00717	5.0
150.05537	14.5
151.00269	10.4
159.02869	8.5
161.04448	13.1
165.03952	6.6
168.00597	11.9
169.01344	27.2
179.05605	6.5
196.99370	4.4
202.99812	13.1
209.15628	4.5
211.02440	10.8
223.13387	6.8
227.03676	6.0
243.02957	5.8
246.98830	31.6
252.16127	5.6
259.99615	13.0
271.04697	6.3
272.16415	4.7
274.01233	8.0
287.01880	5.2
299.01987	8.4
300.99496	6.8
301.07147	5.1
324.02884	4.5
336.22021	4.8
339.01340	5.5
371.07794	36.6
371.20767	14.9
383.04163	9.7
397.05649	6.5
414.05469	16.6
414.14905	17.7
414.21320	51.7
415.07239	55.5
415.16031	100.0
415.20612	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	413.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40678	7.2
59.01245	37.0
90.99139	8.1
96.95897	37.6
139.78017	8.6
192.89189	9.8
369.28116	20.6
369.48108	7.9
413.22672	20.4
413.27002	100.0
414.27582	12.7
425.22354	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	413.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	39.4
60.35709	25.5
69.71606	20.5
70.11250	20.9
74.99418	19.1
94.47097	21.7
96.95896	19.6
151.11038	21.9
193.84171	22.2
202.91089	23.9
254.10516	28.1
341.24826	37.5
372.87082	23.0
383.56073	24.4
410.88480	22.3
413.05203	41.1
413.26956	100.0
425.72229	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	413.291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31034	1.5
54.96064	1.2
59.01257	24.6
64.82671	1.6
75.29446	1.4
139.31648	1.5
269.52350	1.6
276.94812	1.3
311.98694	1.8
369.27975	1.7
412.26144	1.6
413.30649	100.0
414.30917	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	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54761	2.6
59.01258	23.3
67.08112	2.7
71.57491	3.4
81.79298	2.1
109.16068	2.7
136.00742	2.7
145.66118	2.3
261.47067	2.9
290.70953	2.6
301.61142	2.7
413.25146	5.5
413.30566	100.0
413.36011	5.1
414.30923	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	413.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01734	0.4
59.01253	4.6
65.00211	0.5
67.01752	0.9
69.03310	0.8
71.01259	4.3
71.37846	0.9
72.99180	0.8
73.02839	1.0
79.01762	1.3
83.01263	1.7
85.02831	3.0
87.00766	0.4
89.02314	1.0
95.01263	2.3
97.02818	0.6
99.00759	0.9
101.02320	3.6
107.01273	2.9
110.00002	0.8
111.00774	2.9
113.02341	1.8
119.03410	0.4
123.00772	15.3
124.01563	1.3
125.01434	0.7
125.02334	12.9
126.02720	0.7
127.00299	0.6
134.03629	0.5
136.98677	1.4
139.00276	4.4
140.01089	4.1
141.01834	2.1
145.02960	0.3
147.04413	4.3
151.00278	10.6
152.00618	0.5
153.01852	1.0
160.01465	0.5
161.04396	0.4
161.05960	0.4
163.03947	0.5
166.99794	0.5
168.00558	4.3
169.01332	15.2
170.01601	0.6
175.03957	0.9
197.02606	0.4
200.99001	0.3
207.10255	0.4
211.02467	0.8
263.89694	0.3
271.04562	0.6
313.05756	0.9
413.14490	100.0
414.06223	0.4
414.14810	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	413.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.2
59.01252	7.4
62.66950	0.5
71.01262	7.2
72.99188	0.7
73.02820	2.3
80.92224	0.5
83.01264	1.8
85.02821	4.0
87.00735	0.5
89.02310	0.7
95.01273	1.5
99.00737	0.9
100.73809	0.5
101.02321	6.2
105.03307	0.4
107.01298	1.1
111.00757	1.4
113.02336	3.3
116.11237	0.5
117.03352	0.5
119.04882	0.5
121.02792	0.6
123.00777	4.2
125.02335	4.8
132.02077	18.3
133.02896	5.4
134.03633	13.0
135.04417	0.9
136.98599	0.5
137.02370	1.1
139.00290	1.6
139.03900	0.9
140.01082	1.0
141.01874	0.5
147.04364	0.6
149.05980	2.2
151.00255	3.2
160.01578	83.3
161.01956	3.3
161.04454	1.3
168.00571	1.1
169.01360	5.8
175.03926	100.0
176.04276	4.8
177.01907	1.0
178.02655	1.4
179.03372	0.9
193.04985	16.5
196.56816	0.5
200.46736	0.6
206.28781	0.5
211.02370	1.0
298.01263	0.6
300.99844	0.7
311.01968	0.5
323.01987	1.0
339.05038	1.0
341.06674	1.1
369.06110	3.3
398.12177	1.7
413.05298	2.8
413.14526	89.9
414.14905	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	413.0515
Annotation	Kynapcin 24
Peak:m/z	Relative Intensity
50.29165	0.7
68.99682	0.7
70.06015	3.6
79.30869	0.7
87.81106	0.7
98.19823	0.9
123.00783	0.8
145.02963	0.8
147.00758	1.2
160.01595	0.9
161.02380	1.9
161.99545	1.1
163.00302	1.0
170.03650	0.8
173.02335	1.0
177.01830	1.0
183.04463	1.2
184.05161	2.2
185.09686	0.8
189.01866	3.0
190.99825	0.8
195.04517	0.8
196.05302	1.0
197.09676	1.1
198.03177	1.8
200.01086	1.4
201.01939	1.1
202.99799	2.1
209.06062	0.9
211.03941	3.0
212.04681	0.9
213.09135	4.8
217.01212	0.8
217.98529	3.8
223.03938	2.9
224.04753	4.1
225.09132	1.4
226.02626	2.6
227.03514	1.3
228.00629	1.2
228.04166	0.9
229.01378	2.8
232.00047	0.9
239.03448	3.4
240.04303	4.1
241.08774	1.0
242.02136	1.9
245.00931	6.3
245.98106	3.1
246.98753	1.3
251.03435	3.9
252.04164	1.6
253.05060	1.9
253.08641	1.8
255.02997	1.7
256.03796	1.0
259.99631	3.9
261.00134	0.8
265.04990	1.9
266.05661	0.8
267.02979	11.2
268.03741	14.1
269.00925	3.3
269.03983	1.6
269.08252	3.4
270.01590	0.9
273.00677	1.2
273.97546	2.1
279.03256	1.2
279.06723	1.7
281.04605	2.8
281.08292	3.9
282.01770	2.3
282.05228	2.9
283.99582	3.8
284.02847	1.0
285.00449	1.7
295.02481	24.7
295.05774	1.3
296.02899	4.1
296.06570	0.9
297.00601	7.4
297.04291	1.2
297.07678	35.6
297.11111	1.7
298.01144	2.6
298.08029	2.9
307.06003	1.0
309.00568	1.1
310.04892	0.9
311.01944	2.0
313.07111	1.8
323.05258	1.7
325.07172	16.6
326.07498	1.4
339.05078	3.5
341.06604	6.5
342.06909	1.2
357.01700	0.8
369.06134	20.3
370.06503	2.3
413.05148	100.0
414.05493	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	413.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	5.5
63.39029	0.9
69.96394	3.4
71.01253	5.2
73.02806	1.0
85.02825	2.9
88.61964	0.7
89.02319	2.0
89.66122	0.8
95.01271	1.8
98.19843	1.0
101.02337	3.4
113.02316	1.6
123.00761	3.5
124.92777	1.0
125.02375	4.0
133.61369	0.8
136.98676	1.2
140.01044	1.1
147.00858	1.1
149.63290	0.8
158.03577	0.9
161.02332	0.9
161.99429	1.0
163.00241	2.2
168.00496	0.9
169.01363	4.8
176.01064	0.8
178.09886	2.5
184.05225	2.0
197.09682	1.0
198.03157	1.0
201.01839	1.4
202.99904	2.4
206.99411	1.3
208.00066	1.1
213.09090	3.0
214.02730	1.7
217.98505	3.4
223.04068	1.3
224.04716	1.5
225.09242	2.2
226.02686	1.7
227.03548	1.3
229.01355	1.6
237.05475	1.4
239.03400	2.9
240.04172	3.1
241.08618	1.3
242.02177	2.7
245.00877	2.6
245.98091	4.9
246.98753	2.8
251.03481	2.7
251.16571	1.5
252.04160	1.6
253.08508	2.1
254.05519	1.1
255.03239	1.2
256.03885	1.8
259.99677	4.0
261.00146	1.0
265.05096	2.6
267.03030	7.0
268.03775	7.8
268.06570	1.4
269.00928	3.1
269.08234	2.5
273.00391	1.3
273.97574	2.8
279.06653	1.7
281.04721	1.6
281.08255	2.2
282.01712	0.9
282.05313	2.8
283.99490	1.2
292.80353	0.8
295.02521	14.5
295.05841	1.6
296.02979	3.2
297.00388	2.2
297.07675	27.7
298.00922	1.8
298.07974	2.4
299.98923	1.2
309.03888	0.9
314.97858	1.7
323.05591	1.4
324.99878	1.0
325.07141	16.3
326.07654	1.4
327.00534	1.8
337.11072	11.8
337.61316	5.5
339.05249	2.9
341.06683	6.2
356.00766	3.8
369.06186	11.1
370.06570	1.9
412.67743	2.1
413.05054	100.0
413.21576	7.5
414.05423	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	413.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41390	0.6
59.01277	1.6
65.00182	1.4
71.01263	1.1
91.01784	1.4
125.02329	0.9
132.02066	1.5
134.00024	0.8
141.03288	1.2
147.00813	4.6
160.01576	1.6
161.99510	1.9
163.00327	1.0
165.05585	0.9
165.99043	0.8
169.02783	0.8
169.10156	0.9
175.00243	1.6
177.98988	0.9
181.06538	0.8
182.87982	0.9
188.01042	1.7
193.06544	0.8
195.04459	0.8
197.02531	1.1
197.09581	1.2
198.03192	0.8
201.01968	1.0
202.99828	8.6
204.00456	1.0
206.99239	0.7
208.00061	1.4
209.06084	1.0
211.03970	2.1
214.02609	1.2
216.00641	0.7
217.98474	5.1
223.04111	1.4
223.07668	1.2
224.04625	0.8
225.05527	1.0
225.09262	1.6
226.02777	1.1
229.25252	0.9
232.00107	2.5
236.08270	0.8
239.03333	1.3
240.04182	3.0
242.02272	2.0
245.00845	3.6
245.97977	5.0
246.98824	17.8
251.03465	3.2
251.07117	0.9
253.05058	3.1
253.08707	1.4
254.02112	1.0
254.05725	1.7
259.99612	18.6
260.99902	1.0
264.04330	1.1
265.05106	3.2
267.02960	3.2
267.06491	0.8
268.03723	2.7
269.00928	28.5
269.08255	3.1
270.01477	3.3
270.08850	0.8
273.00232	1.2
273.97675	6.0
279.06519	1.4
281.04593	1.9
281.08167	3.4
286.67682	0.8
295.02487	13.8
296.03073	1.7
297.04260	1.0
297.07642	9.0
298.01065	0.9
298.08151	0.9
299.99023	0.9
307.02460	4.1
308.03107	2.0
309.04041	14.8
310.04532	1.8
312.99716	1.2
314.97983	0.9
320.70139	0.8
323.05603	7.0
325.07193	43.8
326.07639	3.8
341.06601	5.6
369.06168	23.2
370.06494	2.3
376.57062	0.8
413.05151	100.0
414.05420	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	411.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46798	6.6
51.64273	7.1
54.17815	6.6
59.01255	100.0
69.77829	47.9
75.62306	7.4
86.60085	6.9
92.33942	7.1
104.22005	7.5
119.70225	7.4
152.99477	10.7
154.99863	9.3
298.26761	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	411.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01826	3.3
57.02020	3.5
59.01251	100.0
81.62768	3.9
102.77035	3.6
103.18179	4.6
105.93271	4.5
152.99469	4.7
229.23061	4.7
239.75081	4.3
264.67404	4.0
378.08652	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	412.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.0
58.11091	0.8
59.01253	8.4
61.08741	0.8
62.54370	0.8
67.01747	1.1
68.99702	1.1
69.03313	1.3
69.90201	5.4
71.01260	8.3
72.99200	1.7
73.02831	3.0
79.01770	2.2
83.01258	2.1
85.02850	3.7
89.02315	2.6
95.01282	3.3
97.02849	1.5
99.00806	1.2
101.02313	4.6
107.01270	8.8
111.00784	2.9
113.02345	3.9
119.04913	1.7
123.00770	17.5
124.01582	1.0
125.02341	40.9
126.02708	2.1
127.00295	1.1
127.05431	1.1
135.04449	1.0
139.00290	5.4
140.01080	4.2
141.01889	2.2
145.02896	1.2
147.04424	7.4
151.00281	11.8
151.04030	1.0
153.01910	1.1
161.02393	1.0
161.04465	1.6
165.05475	11.1
168.00575	4.2
169.01349	53.3
169.45039	0.8
170.01680	2.4
189.05576	2.9
193.01123	1.0
211.02478	3.5
253.03656	1.3
253.97446	0.9
271.04669	2.2
293.29456	0.9
298.30719	0.9
308.72812	0.9
313.05640	11.3
327.15991	0.9
385.11569	3.3
412.12637	100.0
413.12927	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	411.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	75.5
65.48772	5.7
71.01264	20.6
71.57414	8.1
71.73783	5.4
85.02836	7.3
85.06467	100.0
101.02322	9.9
103.09765	6.0
113.02354	18.0
113.05990	18.7
115.03911	26.1
115.60364	5.4
119.59824	6.2
125.02334	10.8
126.18999	5.2
129.05473	9.2
164.06902	6.2
169.01335	13.0
173.91187	5.6
188.07108	15.2
189.07610	26.7
209.61496	5.4
271.27731	5.3
345.93805	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	409.2362
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
52.79031	0.3
59.01239	0.4
70.85981	0.3
78.95781	66.6
88.84029	0.3
96.96850	4.4
108.68059	0.3
150.97926	1.4
152.99498	100.0
153.99828	1.4
171.00581	3.1
175.79155	0.3
183.57341	0.3
184.50319	0.3
199.86549	0.3
255.23221	1.7
327.13010	0.3
350.10095	0.3
388.22318	0.3
409.23618	11.0
409.29156	0.8
410.24326	1.5
410.28702	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0239
Annotation	Turgorin
Peak:m/z	Relative Intensity
57.49237	1.6
59.01237	1.9
66.28850	1.5
70.59030	5.1
71.01268	2.1
79.95609	3.0
80.96395	3.5
85.02789	1.7
88.07642	1.5
94.56693	1.6
96.95892	100.0
125.02338	13.3
128.24353	1.6
133.25662	1.8
138.96974	10.6
139.53024	1.5
169.01331	25.0
222.99072	4.0
241.00211	89.8
241.86194	1.5
242.00459	3.7
314.56497	1.7
331.06680	3.4
411.02402	49.7
412.02597	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	411.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.6
69.26617	0.4
69.27015	2.2
71.01214	0.6
73.02797	0.3
89.02302	0.3
98.19808	0.5
101.02296	0.4
121.73167	0.2
125.02284	0.3
157.02739	0.3
160.01556	0.4
169.01294	0.3
170.03596	0.3
172.01552	0.4
176.01097	0.4
185.02376	0.4
186.03087	0.3
188.01112	0.6
198.03148	0.8
200.01038	0.9
204.00681	0.3
213.01794	0.4
214.02615	1.6
214.99765	0.2
216.00513	1.4
226.02708	0.7
228.00386	1.0
230.99167	0.5
231.99973	0.3
241.01395	0.3
242.02223	1.8
242.99321	0.5
244.00055	1.6
253.01233	0.3
254.99252	0.8
256.00165	1.3
259.99600	1.3
267.03082	0.4
269.00906	1.1
270.01611	1.5
270.98770	1.8
271.99582	1.6
280.03687	0.3
281.00998	0.6
282.01569	0.5
282.98825	1.0
283.99667	2.9
286.98367	3.0
287.98978	1.2
297.00473	1.3
298.01178	7.0
298.98260	1.8
299.01501	0.5
299.99097	11.4
300.99570	0.6
307.06024	0.3
309.00375	0.8
310.98392	1.9
315.98642	2.9
324.99893	19.6
326.00592	6.1
326.97784	2.7
327.01138	0.4
330.00211	1.9
336.99863	0.5
339.98300	0.3
352.99377	6.2
354.00137	65.3
354.96066	0.3
355.00461	5.4
411.03552	100.0
411.10214	3.3
412.03906	10.1
412.09427	0.3
412.17136	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79099	0.7
55.01759	5.5
57.03324	5.2
58.00454	1.4
59.01252	31.4
61.98689	1.0
69.03317	2.3
71.01253	54.8
71.57473	1.1
72.01595	0.9
72.99184	2.3
73.02820	26.9
75.00749	1.5
83.01258	14.8
85.02823	31.3
85.99964	2.3
87.00751	4.4
89.02320	9.7
95.01260	3.9
96.95855	1.3
97.02828	3.0
99.00763	11.2
101.02323	62.5
102.02670	1.5
102.21947	0.7
111.00745	2.2
112.04124	0.7
113.02329	21.8
114.02657	1.0
115.03911	2.0
115.11138	0.9
125.02336	4.5
129.01849	1.7
131.03416	1.7
134.36992	0.7
135.04399	0.8
143.03410	2.0
145.02850	1.4
148.18163	0.7
149.04541	1.0
159.02911	4.4
159.11603	0.7
160.42325	0.7
161.04466	24.1
161.05832	1.3
169.01370	1.5
171.62514	0.7
191.05682	1.2
203.03624	0.8
203.10594	0.8
205.03401	0.9
233.06567	2.2
247.09805	1.2
277.16547	100.0
278.16885	6.8
298.98410	1.1
321.15479	1.7
409.01712	2.2
409.20752	61.5
410.21225	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	409.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	6.8
62.21991	1.1
71.01253	3.1
73.02834	1.1
74.72328	1.1
75.95133	1.3
81.02588	1.1
83.06204	1.4
85.02802	2.5
101.02341	1.9
106.04141	1.2
113.02371	1.6
117.05460	2.7
125.02334	3.1
125.72188	1.1
129.05545	1.2
139.00284	1.3
147.04378	2.2
152.68333	1.2
161.02338	2.9
163.03906	1.8
169.01349	2.4
173.02362	2.8
175.03889	1.8
189.01857	1.9
190.02641	18.9
191.03442	7.6
192.75134	1.2
203.52077	1.2
217.01373	19.2
218.02138	15.8
219.02849	3.8
246.01678	60.8
247.02457	95.6
248.02831	6.5
262.24176	1.1
409.07776	100.0
410.08096	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	409.0204
Annotation	3,3'-Biflaviolin
Peak:m/z	Relative Intensity
59.01252	1.7
65.00204	0.4
69.57893	0.7
69.58303	1.4
71.01258	0.5
91.42749	0.2
96.95869	0.3
101.02361	0.3
109.02839	0.7
131.01314	0.3
132.02010	0.3
156.02071	0.4
160.01579	0.4
165.89677	0.3
170.03593	0.3
171.00797	0.8
172.01572	0.4
176.01085	0.3
181.06544	0.4
184.01627	0.6
185.05858	0.3
187.00246	0.7
188.00955	0.3
196.01567	0.4
197.06018	0.8
199.00317	0.7
200.01117	0.6
209.06113	0.4
210.03261	0.3
212.01102	0.4
214.99838	1.0
216.00500	0.4
217.01422	0.3
224.01173	0.7
225.05562	0.9
226.02634	0.5
226.99805	1.1
228.00504	0.9
240.00571	2.3
241.01225	0.3
241.04990	0.5
242.99307	2.0
244.00018	0.6
252.00650	0.5
253.01497	0.4
253.05081	1.2
254.02208	1.2
254.99368	0.5
256.00076	1.2
265.05072	0.4
266.02084	0.5
268.00113	2.0
269.00928	0.6
269.04645	0.8
270.01550	0.4
270.98819	5.3
271.99515	0.8
280.03635	0.3
281.01151	0.5
281.04578	1.3
282.01672	1.7
282.98785	0.6
283.99615	0.6
287.18369	0.3
293.00980	0.3
294.01712	0.6
295.99664	1.2
297.04022	0.9
298.01077	0.4
298.98315	2.9
299.99121	5.6
300.02377	0.2
300.99771	1.2
309.00467	6.5
309.04047	1.1
310.01230	1.7
312.99835	0.7
319.02652	0.5
322.01154	1.0
323.99127	3.4
324.99924	1.9
325.03482	1.3
326.00589	1.1
326.97806	5.3
327.98346	0.4
335.02060	1.3
336.02631	0.4
336.99924	1.1
337.03543	0.4
338.00555	2.3
339.98563	0.9
351.01755	0.4
351.98529	3.9
352.02133	0.4
352.99203	1.7
353.03079	2.4
354.00079	0.4
363.01462	1.1
364.02255	0.7
365.02963	1.2
366.00122	4.6
367.00693	0.4
380.01953	0.5
381.02518	32.3
382.02856	2.2
391.01111	0.5
392.01971	0.4
409.02011	100.0
410.02386	10.7
410.07971	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96874	1.5
57.03328	2.3
59.01252	100.0
68.00584	1.9
69.89747	3.4
69.90148	8.8
71.01249	43.4
73.02821	13.5
74.03230	1.6
75.00774	2.3
83.01289	4.2
85.02811	17.1
87.00761	3.7
89.02318	6.6
93.03298	2.1
95.01265	3.5
99.00782	3.7
101.02320	31.2
107.47223	1.8
113.02338	15.7
125.02332	3.4
131.52818	1.7
135.04391	7.1
143.03375	3.9
150.03090	2.5
159.02869	5.1
161.04477	40.4
165.05496	2.2
169.01302	3.4
185.11729	2.5
191.05417	1.7
195.06532	3.1
205.03474	2.1
227.12907	4.0
245.13890	8.3
259.14798	1.7
275.02020	3.2
346.26315	1.7
347.17105	15.0
348.17505	2.2
407.19055	2.8
407.26584	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	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	5.3
57.03328	4.8
58.00465	4.2
59.01254	83.0
69.31166	22.3
71.01258	79.3
72.99187	6.8
73.02827	30.1
75.00735	5.8
83.01276	15.3
84.32272	2.3
85.02825	40.2
87.00734	4.1
87.04385	2.6
89.02321	23.6
95.01254	8.3
97.02860	2.8
98.19857	5.2
99.00764	9.5
101.02325	84.3
107.01232	2.7
113.02338	32.1
119.03375	6.8
123.00790	5.8
125.02374	13.7
129.01810	2.7
135.04404	2.4
140.24672	2.2
143.03395	4.7
145.81384	2.5
159.02863	3.7
161.04491	39.2
169.01360	17.0
190.02676	4.1
201.01874	5.1
202.99724	3.7
203.03313	3.0
217.01369	3.1
218.02167	5.4
228.00664	3.0
229.01337	8.3
230.99211	3.3
243.04070	3.9
245.00945	4.1
245.04478	3.0
257.00934	5.7
259.07224	6.3
261.13434	100.0
262.13824	5.9
273.97742	4.7
274.01144	23.9
274.98462	9.8
275.01938	49.1
276.02054	2.9
287.10443	13.4
300.99777	7.1
313.08466	13.4
316.96680	2.5
331.09268	5.7
347.17111	63.4
348.17282	5.4
371.09799	2.8
407.02225	5.6
407.06451	30.6
407.10608	6.0
407.19128	35.4
408.06210	3.5
408.19373	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	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65882	0.5
55.01759	4.1
57.03317	4.0
58.00462	0.8
59.01251	34.5
68.36871	0.6
69.03337	1.1
69.53251	3.8
71.01253	51.1
72.01578	0.6
72.99191	2.5
73.02819	23.2
74.99053	0.5
75.00764	1.5
81.03345	0.6
83.01258	15.7
85.02823	28.0
85.99985	1.1
87.00745	2.8
89.02308	6.0
93.36106	0.5
95.01250	3.7
97.02844	2.3
99.00759	8.2
101.02323	53.8
103.03898	2.1
103.56236	0.6
107.01295	0.9
111.00771	1.9
111.62398	0.6
113.02332	20.9
115.03889	0.6
119.03418	1.8
123.00808	1.4
123.04445	0.5
125.02321	4.9
129.01834	1.1
131.03441	0.7
134.54784	0.6
139.00203	0.8
141.01877	0.5
143.03441	2.1
145.04987	0.8
147.00795	1.2
151.00223	0.7
159.02911	4.9
161.04465	26.9
163.00499	0.6
163.06029	1.4
165.65125	0.6
168.00636	0.6
169.01305	2.5
175.00293	1.2
190.02620	1.8
201.99008	1.0
202.99725	4.2
205.03387	0.9
218.02151	1.3
229.01335	1.6
229.06902	0.5
245.00905	0.8
245.04556	1.4
246.00931	0.8
246.98782	1.3
247.08276	1.7
257.00867	1.9
257.05441	0.9
258.01498	0.7
261.13419	100.0
262.13754	7.3
271.07077	0.8
273.00299	1.4
273.97559	2.6
274.01108	9.4
274.98331	5.2
275.01929	11.8
275.98633	1.0
276.02167	1.1
287.10291	1.8
305.12454	1.7
313.08337	3.3
331.09207	1.9
347.16980	1.9
371.09821	1.6
403.37378	0.7
407.02258	3.4
407.06839	10.4
407.19177	34.7
408.02600	1.2
408.07294	0.9
408.19574	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	407.062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80524	0.7
71.10403	0.9
71.10739	1.5
88.11082	0.6
106.04105	0.8
119.99310	0.7
135.44405	0.7
147.04393	0.7
159.04488	0.9
163.03760	0.9
173.02365	1.1
174.03110	1.4
175.03912	1.0
177.01840	0.9
185.02374	1.2
189.01848	3.0
190.02625	13.6
191.03299	1.9
200.01048	1.2
201.01901	4.2
202.02695	3.6
203.03427	5.0
205.01370	0.9
213.01895	0.9
217.01413	0.9
218.02147	11.9
219.02855	2.7
222.01637	1.1
228.00694	4.1
229.01393	13.0
230.01759	1.3
230.99286	0.8
231.02956	1.4
245.00975	3.4
246.01672	1.8
247.02434	1.8
256.00302	1.2
257.00925	18.9
258.01578	4.2
273.00430	1.8
274.01199	61.0
275.01971	100.0
276.02310	6.8
373.12332	0.7
407.06192	80.2
408.06616	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	407.0983
Annotation	Khellol glucoside
Peak:m/z	Relative Intensity
55.01756	0.5
57.03313	0.8
59.00956	0.4
59.01252	7.2
65.00185	0.4
67.01762	1.1
69.03321	1.4
69.42165	2.8
71.01253	10.1
72.99183	1.0
73.02816	3.1
75.42104	0.3
79.01768	1.3
83.01261	2.3
85.02824	4.8
85.99946	0.3
87.00763	1.2
89.02312	3.0
93.03336	31.4
94.03665	0.7
95.01266	2.8
97.02820	1.1
99.00736	1.4
99.92781	0.3
101.02319	8.2
103.03888	0.5
104.02574	0.3
107.01273	8.5
107.04925	0.3
109.02840	0.5
109.99962	0.4
110.68670	0.3
111.00773	2.7
113.02325	3.7
119.03400	0.9
123.00768	16.3
124.01588	1.1
125.02341	44.2
126.02673	1.1
127.00280	1.1
131.03423	0.7
135.04433	0.7
136.98718	1.6
137.02351	0.5
139.00256	4.5
140.01051	3.2
141.01808	2.5
143.03426	1.1
145.02760	0.3
149.02368	1.1
150.03131	1.9
151.00269	11.3
151.03874	0.4
153.01825	0.8
154.99706	0.4
159.02928	0.7
161.04495	2.1
163.06070	1.1
165.01819	0.5
165.05536	1.7
165.12798	0.5
166.99881	0.4
167.03413	0.4
168.00548	3.6
169.01340	54.6
170.01674	2.0
171.10184	0.4
175.14383	0.3
177.05583	0.3
179.03458	0.5
179.05627	0.3
180.04170	0.4
181.05028	0.5
193.01317	0.3
195.06616	1.3
202.78825	0.3
205.07002	0.7
209.11765	0.3
211.02460	1.2
223.02454	0.7
227.12868	1.1
241.03453	0.5
245.13904	3.2
253.03511	0.9
256.91232	0.3
261.13422	4.3
269.14041	0.4
275.15137	0.4
287.14890	0.4
313.05646	17.6
314.06039	1.1
347.17014	0.5
407.09833	100.0
408.10153	11.4
408.54269	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.4
57.03323	2.1
58.00472	2.8
59.01253	83.7
68.99696	1.2
69.03329	1.5
70.76830	0.9
71.01255	64.5
71.17365	0.8
71.57619	1.3
72.97419	1.4
72.99187	5.3
73.02825	18.8
75.00726	0.8
83.01266	2.7
85.02833	7.7
87.00759	2.2
89.02317	100.0
90.02678	1.8
95.01228	2.2
97.02843	1.5
99.00759	26.5
99.04399	0.9
101.02326	40.2
111.00745	1.3
113.02334	12.7
119.03391	10.1
121.91703	0.9
123.04424	1.1
125.02349	6.2
131.03391	16.3
135.04460	1.6
139.11186	2.9
143.03436	2.1
149.04466	43.0
150.04790	1.2
161.04485	3.9
165.01826	2.1
166.99760	1.0
169.01360	2.1
178.99930	1.0
179.03447	1.1
179.05586	2.6
181.12242	2.8
183.10187	6.8
191.05516	10.8
195.06430	1.0
199.13326	2.2
203.03413	0.9
221.06534	1.1
225.11290	2.2
243.03014	1.5
243.12373	23.0
244.12740	1.4
251.07747	1.0
261.00192	0.9
271.06033	1.0
271.99356	1.1
275.02115	1.3
280.05780	1.1
285.13409	4.2
333.13583	1.2
345.15457	4.2
363.23788	1.0
405.17416	4.6
405.21414	2.9
405.25555	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	405.2132
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01757	2.4
57.03310	1.4
58.00460	1.3
59.01254	29.8
60.01593	0.4
71.01254	20.7
72.99181	1.8
73.02820	4.9
83.01259	3.5
85.02823	8.2
85.06477	2.3
87.00756	1.6
89.02317	13.0
95.01255	1.7
97.02817	0.7
97.06479	0.8
99.00757	3.6
101.02325	15.0
105.48631	0.5
113.02334	8.9
119.03386	4.2
125.02305	0.6
130.16827	0.4
131.03374	0.5
153.12811	0.4
155.14328	6.4
161.04466	0.9
179.05519	0.9
181.12305	0.7
181.15884	3.9
199.13338	16.7
200.13672	0.9
225.14856	4.1
229.30173	0.5
243.01596	0.6
269.31976	0.4
312.65506	0.4
318.89792	0.5
326.85135	0.4
345.13583	0.7
387.20261	1.3
405.21283	100.0
406.21619	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	405.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10191	18.9
55.85143	17.5
59.01256	98.0
71.01235	32.9
71.07171	34.0
71.07500	27.6
74.11350	19.3
87.22902	21.0
89.02315	22.6
89.72906	21.3
150.25974	22.0
162.03078	20.1
231.26567	22.0
405.08545	34.1
405.16608	31.6
405.21362	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	405.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	55.1
69.26888	23.8
69.27290	100.0
71.01254	22.1
83.22550	10.1
85.02833	11.3
88.53598	10.0
89.02339	18.9
98.98946	9.5
101.02313	16.9
111.93723	10.5
113.02361	12.3
163.17712	10.2
169.01338	12.2
359.25272	9.5
403.69354	11.1
405.16803	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	405.1194
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
59.01256	5.1
60.89096	0.5
65.00193	1.0
65.03845	2.9
67.01764	1.5
68.99699	0.8
69.06206	0.4
69.61793	0.4
71.01257	2.3
71.19903	0.5
71.57868	0.6
73.02834	1.0
80.02545	0.6
85.02816	1.2
86.78230	0.4
87.00752	0.5
89.02315	0.9
91.01772	41.1
92.02115	1.1
101.02329	1.6
107.01273	0.5
107.04911	2.9
108.02045	3.2
109.02835	29.2
110.03188	1.3
113.02348	0.9
121.02830	1.1
123.04436	0.5
125.02372	0.7
130.19177	0.4
133.02885	0.8
135.00778	100.0
136.01067	4.7
137.02347	4.1
149.02350	1.0
151.03889	0.6
152.44411	0.4
153.01840	92.5
154.02151	3.2
161.02367	0.9
169.01395	0.9
175.03902	3.8
177.01839	3.7
188.45393	0.4
189.01898	0.6
193.21048	0.4
197.05998	0.9
199.07640	0.5
225.05513	1.0
232.00493	0.5
242.02094	0.9
243.02864	1.1
243.06590	13.2
244.06775	1.0
267.06525	0.7
270.08130	0.4
271.99527	0.4
288.99951	0.6
297.06149	11.9
298.06555	0.9
405.07428	0.9
405.12338	6.7
405.20706	3.2
406.12329	0.6
427.46271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.2
55.28227	0.7
56.91738	0.6
57.03329	2.3
59.01252	14.5
67.01746	0.6
67.91969	0.7
69.03329	72.4
70.03670	1.1
71.01259	11.9
71.04913	0.6
71.58384	0.9
73.02818	3.2
79.01759	6.9
81.03316	3.7
83.01259	1.8
84.97496	0.7
85.02837	7.8
87.00763	0.9
87.04393	2.7
89.02306	4.0
95.01257	6.0
97.02834	40.3
98.03188	1.2
99.00771	1.2
101.02323	8.2
101.06001	0.7
107.01276	31.9
108.02067	11.0
108.35420	0.7
109.02852	6.6
113.02359	3.9
119.03373	1.1
121.02844	6.3
122.03655	1.1
123.00760	11.0
123.04387	1.1
125.02341	98.9
125.95222	0.8
126.02691	3.1
133.02844	2.2
134.03644	1.5
135.00790	1.8
135.04430	3.0
136.01561	7.1
137.02362	6.0
142.50269	0.7
145.02866	1.2
149.02345	3.7
151.00281	66.1
151.03911	1.5
152.00880	2.9
153.01851	16.4
153.72997	0.7
154.02177	0.7
155.10791	0.7
161.02359	1.8
163.03955	7.3
167.03398	0.9
168.37160	0.8
169.01352	0.7
177.01834	10.6
189.01898	0.9
189.15486	0.7
191.03403	0.8
197.06013	5.0
197.15475	4.0
198.06711	1.0
207.02812	0.9
213.05537	1.6
215.07014	0.9
224.85480	0.7
225.14862	1.6
242.05823	100.0
243.06560	45.0
243.16017	8.9
244.06944	3.5
285.07672	5.4
297.06107	13.2
298.06546	1.0
405.12683	10.8
405.21246	53.4
406.12259	1.4
406.21558	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	403.1974
Annotation	Staphylionoside C
Peak:m/z	Relative Intensity
55.01756	5.0
57.03318	6.1
58.00470	2.9
59.01255	33.2
71.01256	78.1
71.04890	1.6
71.57006	1.2
71.78226	1.3
72.99187	11.1
73.02813	11.1
75.00748	38.7
81.43231	1.5
83.01241	4.0
83.04938	1.8
85.02824	35.1
87.00752	17.9
87.04404	3.1
89.02322	14.2
95.01281	3.9
95.04920	1.4
99.00766	7.8
99.04446	2.0
101.02325	11.4
101.05966	2.4
105.01817	46.9
109.06505	2.3
111.08043	4.5
113.02331	19.1
117.93844	1.3
119.03400	6.5
123.00813	1.6
123.08075	1.9
125.02312	1.6
127.07558	1.5
129.01813	10.1
134.29698	1.5
137.09615	2.8
139.07552	3.3
153.09100	3.3
155.10693	9.7
157.01324	1.6
162.58298	1.7
175.02403	7.8
197.11755	3.9
205.12238	1.7
209.15315	1.6
216.26164	1.4
227.16521	21.3
240.53734	1.3
241.14470	3.7
251.11055	1.4
269.17578	7.2
283.96490	1.3
306.08167	1.3
385.18735	2.0
403.11838	3.0
403.19748	100.0
404.20032	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38113	1.0
58.59082	1.0
59.01253	100.0
61.98720	1.7
63.79715	1.1
71.01266	2.0
71.44450	1.0
125.02281	1.3
127.79664	1.1
157.12256	1.4
159.16652	1.1
169.01241	1.2
199.81653	1.1
203.76817	1.1
221.35312	1.1
222.54256	1.1
343.28442	3.5
353.93567	1.2
403.24966	3.0
404.25281	1.3
423.58200	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02855	17.9
59.01252	6.0
63.81114	2.1
69.53702	17.0
71.01267	5.9
74.02351	27.8
81.04482	3.1
82.02873	3.3
85.02863	2.4
86.02340	11.5
87.05524	9.0
97.03970	4.1
99.05516	27.1
100.00287	2.9
101.07057	3.5
102.05473	5.7
107.01244	2.7
109.03966	4.2
111.05549	3.3
112.03970	3.8
113.02378	2.0
116.01682	2.9
123.00754	10.0
124.01067	3.0
124.03934	2.6
125.01426	2.0
125.02347	10.0
125.03320	2.9
126.02685	3.4
127.05081	5.2
128.03432	70.4
129.03830	3.2
135.05536	6.3
139.00249	4.2
141.06627	8.2
143.04536	100.0
145.06110	5.7
146.04509	7.9
151.00275	6.2
152.00598	2.2
153.06607	7.1
160.00639	27.3
164.87782	2.0
166.09792	5.8
167.04530	7.6
167.08290	3.4
168.00537	2.9
169.01324	6.1
170.01685	4.8
171.04025	2.2
177.03313	9.5
179.04570	20.4
185.05690	2.7
192.07715	2.7
197.05585	3.8
204.31017	2.2
210.08813	19.3
242.14790	2.0
254.07834	32.1
255.08356	2.8
272.08911	43.7
273.09100	2.3
288.06619	12.5
306.07663	88.6
307.07947	5.2
364.17896	2.7
404.12817	64.3
405.13089	5.9
420.61029	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	405.101
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	0.5
69.55888	1.3
69.56300	2.6
71.01284	0.5
89.96700	0.5
96.95898	0.4
98.19855	1.1
99.92464	100.0
100.92474	5.3
100.93244	2.6
107.04906	1.1
115.91965	54.1
116.92036	3.8
116.92746	78.0
117.92787	4.3
117.93507	1.0
127.95616	0.5
132.92255	0.7
142.94321	1.1
167.10706	8.0
168.11093	0.6
170.93811	1.4
186.93365	1.1
192.99500	2.6
218.97530	2.1
236.98552	6.9
237.99275	3.5
239.00217	0.8
244.36032	0.5
251.03859	0.8
255.00055	0.5
268.97617	2.1
275.00385	0.6
283.02896	0.9
405.10132	17.4
405.30148	0.8
406.10333	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.8
55.42017	0.2
57.03318	1.0
58.00465	1.4
59.01252	29.8
60.01593	0.4
60.31770	0.2
62.97535	0.2
69.03314	0.7
69.90338	1.1
71.01254	20.5
71.04902	0.4
71.35927	0.2
71.96322	0.2
72.01589	0.2
72.99174	1.9
73.02814	1.9
83.01263	2.0
85.02826	5.1
87.00737	0.7
89.02317	13.2
95.01266	1.7
97.62938	0.2
99.00761	1.3
101.02324	12.2
102.02642	0.5
109.06531	0.3
111.00780	0.4
113.02333	6.1
114.02673	0.3
119.03388	4.0
123.08053	2.3
125.02345	0.4
131.03441	0.2
139.00369	0.3
145.10072	1.3
151.00269	0.3
154.99728	0.2
161.04434	0.5
161.13249	1.0
163.03923	0.3
163.11150	0.6
167.07021	0.6
169.01389	0.2
177.12737	0.3
179.14328	0.9
197.11743	0.7
205.12236	0.6
223.13347	15.6
224.13675	1.1
241.10747	1.6
241.14459	0.7
274.01089	0.3
297.07443	0.4
313.07312	0.3
359.07840	0.2
362.90479	0.3
403.19705	100.0
404.20032	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	403.1611
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
51.32503	1.4
57.03342	2.9
58.00466	2.5
59.01252	100.0
62.93061	1.5
71.01262	24.4
71.57344	2.9
72.08001	1.7
72.99216	2.5
73.02814	13.8
75.00777	2.1
83.01268	5.5
85.02824	11.4
87.00768	6.6
89.02313	20.5
95.01257	2.2
96.95903	2.3
97.02857	3.6
99.00799	4.9
99.04420	1.6
100.85502	1.6
101.02332	15.9
103.03893	6.6
109.06509	4.7
113.02364	9.6
113.70625	1.6
115.03810	1.7
119.03395	5.5
119.08604	2.8
121.06486	1.8
125.02367	4.1
131.03448	2.8
135.04280	1.6
135.08046	1.9
137.09607	5.2
143.03450	1.9
149.04500	2.8
149.05971	2.2
153.92381	1.7
155.07074	8.3
159.11638	3.0
161.04483	2.9
161.09622	5.1
166.66049	1.9
179.10710	5.3
181.08617	6.4
197.11778	48.6
198.12212	2.0
221.11481	2.1
223.09741	8.0
223.13327	2.2
233.06577	3.3
241.10796	56.0
241.14485	3.1
242.11223	3.0
261.00430	5.0
265.09250	1.9
274.01199	9.1
283.11859	25.3
284.12146	2.8
313.12915	3.8
315.05090	2.7
343.14120	21.0
359.04089	2.9
403.02719	3.6
403.15472	12.4
403.19888	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	403.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	5.6
58.00458	3.3
59.01257	17.6
65.03847	1.7
67.01771	0.8
69.03329	1.0
69.66275	5.7
71.01256	13.8
72.53629	0.7
72.99169	1.3
73.02805	3.7
75.00755	4.3
83.01254	1.7
83.04929	1.0
85.02830	25.9
87.00770	1.9
89.02315	5.6
93.03339	1.2
93.06983	2.6
95.04921	1.6
99.00739	1.3
99.04412	1.0
101.02319	6.2
103.03896	43.6
104.04220	1.4
105.06992	0.9
109.06454	3.3
111.08037	3.5
113.02323	4.9
115.05405	1.5
117.03345	3.5
117.05464	0.7
117.06997	1.2
118.98021	0.7
119.03395	3.0
119.04961	1.4
121.06467	2.7
123.00786	1.0
123.08051	1.6
125.02325	2.5
131.04922	0.9
132.65970	0.7
133.06503	3.7
135.04469	0.9
137.02336	1.3
137.05936	2.0
137.80400	0.8
139.03894	1.3
139.07542	10.5
143.04900	1.9
145.04991	1.1
149.05978	1.6
151.00229	1.5
151.07562	2.9
155.07043	29.1
156.07433	1.8
161.04639	1.3
161.05960	9.7
169.01334	2.1
177.01793	2.3
178.99702	1.4
179.07005	1.7
191.07108	0.8
197.08136	8.5
221.00876	1.2
240.10347	1.1
241.01366	0.9
243.03075	1.0
247.08177	3.2
265.09280	9.5
271.02460	3.4
283.10950	1.0
297.07715	1.2
298.94135	0.8
300.02750	1.2
301.03635	3.8
359.07666	2.3
370.46841	0.8
371.09006	1.8
403.11905	3.6
403.16061	100.0
404.16373	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	403.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.2
57.03312	0.6
58.02857	0.6
59.01256	4.2
65.89615	0.3
66.39754	0.3
67.01762	1.7
68.99701	0.6
69.03316	0.9
71.01258	6.3
72.99189	1.0
73.02807	2.3
74.01000	0.3
74.02341	2.0
79.01764	1.6
79.04943	0.3
81.03353	0.4
83.01251	2.4
85.02826	4.1
86.02361	0.8
87.00791	0.5
87.05517	0.7
89.02316	0.8
95.01277	3.5
97.02831	1.1
99.00725	0.9
99.05534	2.2
101.02328	4.8
101.07119	0.5
101.31911	0.4
102.06479	0.4
107.01283	4.2
109.99990	0.8
111.00760	4.0
113.02344	2.3
116.15038	0.4
119.03398	0.4
123.00771	20.9
124.01649	0.9
125.02343	19.1
126.02696	0.9
127.00245	1.9
127.04984	0.5
128.03426	5.2
135.05531	0.4
136.98645	2.3
139.00276	6.9
140.01082	5.5
141.01866	3.5
141.06468	0.4
143.03474	0.7
143.04527	7.5
144.65303	0.4
145.06117	0.4
151.00270	13.5
152.00674	0.6
153.01811	0.9
153.06590	0.8
154.99821	0.6
159.02927	0.4
160.00656	2.1
166.99770	0.5
167.04543	0.8
168.00571	5.9
169.01341	19.4
170.01723	1.0
179.04533	1.3
197.11749	0.5
210.08783	1.6
211.02428	0.7
217.01225	0.4
221.57156	0.4
241.10777	0.6
254.07864	3.1
272.08932	2.9
288.06619	1.0
306.07697	6.9
310.60840	0.4
313.05716	1.5
346.21725	0.4
403.12448	100.0
404.12778	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	403.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.8
57.03323	0.4
58.02847	0.6
59.01254	5.2
62.11534	0.3
62.81477	0.4
66.03312	0.4
67.01765	1.7
68.99703	0.7
69.03321	0.9
71.01263	5.8
71.14663	0.7
72.99175	1.0
73.02824	2.8
74.02345	2.3
79.01772	1.5
83.01261	2.3
85.02822	5.1
85.48373	0.4
86.02353	0.9
87.00734	0.6
87.05522	0.7
89.02299	0.7
92.98429	0.4
95.01270	3.0
97.02856	1.2
99.00766	0.9
99.05511	2.4
101.02327	4.7
107.01281	5.0
107.16699	0.4
109.02863	0.7
110.00006	0.7
111.00775	4.5
113.02335	2.5
123.00779	20.3
124.01582	1.3
125.02349	19.2
126.02682	0.5
127.00282	1.8
127.05042	0.4
128.03436	5.6
134.57602	0.5
135.05562	0.5
136.98697	2.6
137.02330	0.6
139.00279	6.4
140.01060	5.2
141.01836	3.5
143.04533	7.9
146.04500	0.6
148.49068	0.4
151.00284	14.5
151.03831	0.4
152.00697	0.6
153.01846	1.3
153.06566	0.6
154.99834	0.6
160.00641	1.8
161.04546	0.5
165.01848	0.6
166.99786	0.6
167.04578	0.5
168.00597	5.3
169.01355	21.6
169.23212	0.4
170.01784	0.5
177.03313	0.8
179.04550	1.5
195.02809	0.5
197.05705	0.6
203.03464	0.4
210.08856	1.0
254.07825	2.5
271.04672	0.5
272.08926	4.2
288.06488	0.9
306.07678	9.7
313.05753	1.6
403.12445	100.0
404.12778	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	403.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00845	0.3
55.01742	0.5
56.08252	0.3
57.03315	0.6
57.20022	0.3
58.02854	0.9
59.00987	0.4
59.01254	4.4
63.36884	0.3
66.12437	0.3
67.01764	1.2
68.99664	0.5
69.03314	0.8
71.01259	6.0
71.34222	0.7
72.99179	0.9
73.02821	2.0
74.02341	2.1
79.01767	1.1
83.01274	1.5
84.43262	0.3
85.02826	3.8
86.02356	0.7
87.00757	0.9
87.04424	0.4
87.05547	0.5
89.02328	1.6
90.00085	0.3
95.01268	2.5
97.02823	0.8
97.30590	0.3
99.00780	0.7
99.05523	1.8
101.02326	5.2
102.05426	0.3
107.01283	4.5
109.02832	0.4
109.99972	0.5
111.00747	2.7
113.02350	2.7
119.03380	0.5
123.00773	17.7
124.01528	1.1
125.02352	15.7
125.03345	0.6
126.02688	0.5
127.00298	1.0
127.05040	0.5
128.03424	5.5
136.98709	1.7
139.00272	4.7
140.01067	3.9
141.01851	3.2
141.06570	0.9
143.04529	7.8
145.06075	0.3
146.04576	0.4
151.00276	10.1
153.01859	0.8
154.99748	0.5
160.00639	1.8
161.04492	0.6
163.03957	0.5
166.99936	0.4
167.03453	0.4
168.00531	3.6
169.01340	18.5
170.01726	0.9
177.03314	0.8
179.04578	1.7
185.05554	0.4
190.02753	0.4
204.89319	0.3
210.08763	1.3
211.02463	1.3
254.07819	2.6
271.04602	0.9
272.08896	4.1
274.01224	1.1
288.06628	1.0
306.07657	8.7
308.20435	0.4
313.05676	1.9
315.05124	0.7
359.04062	0.5
361.15543	0.4
403.12448	100.0
404.12775	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	403.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14896	0.5
55.01748	1.0
58.32376	0.6
59.01255	7.4
67.01772	1.1
69.03316	0.7
70.64729	2.0
71.01258	7.7
71.43974	0.5
72.99182	1.3
73.02822	1.9
75.00800	0.7
79.01746	1.4
83.01262	2.0
84.15493	0.5
85.02841	3.8
85.19447	0.5
87.00751	1.5
89.02327	3.5
92.44166	0.6
93.03352	0.7
95.01265	2.4
97.02819	1.4
99.00751	1.1
99.44016	0.6
101.02329	5.6
107.01268	4.0
111.00780	3.3
113.02312	3.0
119.03403	0.9
123.00777	17.5
123.01677	1.0
123.04379	1.2
124.01640	0.7
125.02342	18.4
127.00288	1.3
136.98698	1.7
137.02307	0.9
139.00273	5.2
140.01051	3.5
141.01843	2.5
141.71222	0.6
149.02324	0.7
150.99120	1.1
151.00276	13.3
153.01834	1.0
166.02618	0.9
167.03453	3.6
168.00560	5.4
169.01340	23.0
170.01598	0.7
172.30110	0.5
173.04443	2.7
181.05006	1.5
191.05580	1.3
211.02411	1.4
226.04788	1.7
241.07173	2.6
271.04498	1.0
313.05582	0.9
329.08871	1.1
403.12445	100.0
404.12747	7.7
416.44376	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.4
57.03308	1.0
58.00472	2.9
59.01252	67.5
60.01580	0.7
67.86675	0.5
69.50446	0.5
71.01256	35.5
72.01571	0.6
72.99175	2.7
73.02817	2.2
83.01257	2.5
85.02826	8.3
87.00730	1.3
89.02319	29.8
92.50739	0.6
95.01264	2.4
99.00754	1.1
101.02322	21.5
102.02605	0.7
103.30064	0.6
113.02339	10.9
119.03388	11.3
121.02843	0.6
125.02307	0.7
131.03377	0.8
143.03394	0.9
154.94310	0.6
161.04494	0.7
177.16432	0.6
179.05443	0.6
191.17239	0.6
216.00537	0.9
221.15421	12.9
229.32669	0.7
239.16531	2.0
240.80901	0.6
244.00116	1.1
271.99664	0.7
274.01266	0.7
286.01230	0.6
312.06390	0.9
313.07162	2.1
369.06113	8.2
385.84714	0.6
401.08759	2.0
401.21783	100.0
402.22150	10.0
421.76556	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67643	0.9
58.21576	0.9
59.01252	100.0
59.51564	0.9
71.36964	2.1
73.08533	0.9
84.26496	0.8
121.02848	16.4
167.34192	1.1
185.99104	1.1
187.47641	1.0
305.25067	1.3
307.05420	1.1
313.07175	5.7
341.27118	2.2
357.06015	1.1
357.09988	1.5
401.08762	5.3
417.78439	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.8
61.98687	0.6
67.37734	0.4
71.01245	0.5
90.26408	0.4
90.59698	0.4
91.58705	0.4
93.06993	0.4
94.75532	0.4
98.20552	1.0
98.54610	0.5
99.92460	100.0
100.92467	4.5
100.93240	1.9
107.04932	1.0
114.94823	0.7
115.91962	43.3
116.92741	75.8
117.92783	3.7
117.93503	0.9
119.69808	0.4
121.02835	0.6
121.10126	2.3
131.91414	1.0
165.09126	6.8
170.93820	1.1
184.88235	0.4
192.63995	0.5
192.95888	0.4
192.99588	1.7
205.55733	0.5
218.97427	1.3
219.98163	0.9
223.03212	0.5
229.73993	0.4
236.98566	4.6
237.99353	3.6
249.02153	0.7
253.98819	0.4
268.97574	1.3
347.10178	0.5
359.25839	0.5
360.03107	1.2
403.08478	10.7
403.13620	0.6
403.24057	0.7
403.29007	2.3
403.33112	0.6
404.08856	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	403.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.9
57.03311	0.8
57.94003	0.7
59.01258	10.4
67.01768	1.2
70.58691	2.6
71.01252	6.6
71.04799	0.6
72.99169	0.8
73.02814	2.1
79.01773	1.4
83.01247	1.4
83.43262	0.7
85.02833	4.3
87.00824	0.7
89.02315	1.3
95.01270	2.7
97.02815	0.9
101.02306	5.1
107.01271	4.4
111.00764	2.5
113.02320	2.7
123.00769	20.2
124.01525	0.8
125.02341	18.9
136.98724	1.9
139.00290	4.4
140.01025	4.0
141.01813	3.2
151.00282	14.4
153.01796	0.9
157.59892	0.8
161.02249	0.8
167.03433	1.2
168.00554	4.9
169.01338	25.3
170.01700	1.5
211.02350	1.2
226.04756	0.9
241.07274	1.3
271.04562	1.1
313.05768	1.8
347.69574	0.7
403.12457	100.0
404.12778	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	401.1816
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01769	2.9
57.03328	4.4
58.00465	1.6
59.01254	38.0
71.01257	32.5
72.01601	0.7
72.10057	0.5
72.99175	2.1
73.02824	9.2
80.83254	0.5
83.01260	7.6
85.02824	15.8
85.99950	0.8
87.00761	1.5
89.02319	14.7
89.20429	0.6
95.01278	3.0
99.00771	3.3
101.02330	31.5
111.18336	0.6
113.02333	11.4
119.03395	4.5
120.73986	0.6
123.08088	4.9
125.02332	0.6
159.02776	0.6
161.04492	1.7
177.12793	8.9
178.13133	0.7
193.25708	0.6
195.13759	3.9
221.11795	5.9
229.80296	0.6
322.34549	0.6
401.18173	100.0
402.18475	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	401.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18334	2.1
55.01768	5.0
57.03325	36.9
57.36583	2.1
58.03587	2.0
59.01251	40.4
67.01749	9.3
68.99689	3.7
69.23431	3.9
69.23836	21.9
71.01255	68.1
72.99181	39.6
73.02824	12.8
75.00746	42.6
83.01228	5.5
85.02827	45.1
85.03304	1.5
87.00749	8.9
89.02317	16.6
95.01238	3.5
96.95885	9.4
98.19768	4.3
99.00747	10.6
101.02330	17.6
101.16624	2.0
105.01813	34.9
105.31116	2.3
113.02338	15.6
117.01825	3.2
119.03387	7.7
123.00780	3.7
123.08024	3.8
125.02321	7.8
129.01842	100.0
135.02884	18.7
137.09608	8.5
147.02895	39.1
149.09564	3.1
151.00381	2.4
161.04420	3.5
165.12752	4.5
169.01323	5.9
191.01881	13.1
191.05539	3.7
209.15417	37.3
210.15675	2.4
216.00771	2.8
221.11717	4.6
225.15041	3.1
247.05193	2.1
299.99139	3.6
337.84131	2.2
401.01309	7.1
401.14154	7.7
401.18918	52.9
402.19971	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	401.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70294	1.9
59.01254	100.0
61.45441	1.6
62.73773	1.9
64.60386	2.0
69.76563	10.7
70.91307	1.7
71.01252	8.9
72.99178	1.8
82.01429	1.9
83.01305	1.7
85.02839	3.9
89.02326	4.0
95.01276	7.3
99.00798	2.2
101.02340	4.3
107.01273	3.1
107.37406	2.2
111.00807	3.8
113.02369	2.3
123.00757	13.3
125.02337	31.2
136.98759	2.2
139.00262	8.0
140.01083	3.2
146.03648	19.0
153.09160	9.0
161.06001	7.3
164.04758	13.7
166.99832	5.5
168.00583	15.2
169.01328	36.3
179.07069	52.9
180.07437	1.9
211.02457	45.9
212.02739	2.7
221.11763	3.1
239.91605	2.0
271.04590	66.6
272.04947	5.1
331.06671	6.4
401.10916	16.7
402.11514	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	401.1458
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
53.71148	0.3
55.01744	0.9
57.03315	0.4
59.00993	0.4
59.01257	4.3
65.00179	0.5
67.01754	1.0
68.99683	0.3
69.03326	0.8
70.91178	0.5
71.01255	4.7
72.99178	0.7
73.02819	2.1
78.27617	0.3
79.01762	1.1
81.03331	0.3
83.01260	2.2
83.42924	0.3
85.02826	3.0
85.99964	0.4
87.00735	0.5
89.02306	0.8
90.33003	0.3
95.01268	1.8
97.02802	0.6
99.00746	0.9
101.02324	4.0
107.01266	3.1
108.61759	0.3
109.99996	0.4
111.00763	3.3
113.02345	1.4
119.03450	0.3
123.00767	15.4
124.01529	1.2
125.02342	13.1
126.02655	0.5
127.00253	0.9
135.04446	0.4
136.98694	1.9
137.02373	0.5
138.99243	0.4
139.00272	5.5
139.01343	0.4
140.01048	4.4
141.01833	2.6
151.00275	10.9
152.00609	0.6
153.01836	1.1
153.44914	0.3
154.99774	0.5
155.07045	0.4
161.04402	0.4
163.03845	0.3
168.00557	4.7
169.01343	16.8
170.01698	1.0
179.03372	0.3
181.04999	0.6
193.27428	0.3
211.02469	0.5
313.05716	1.0
324.99841	0.6
368.98767	0.7
401.14511	100.0
402.14859	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	401.1453
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
51.40644	0.8
52.08796	0.9
54.69758	0.9
55.01759	8.6
57.03314	6.4
58.00458	3.2
59.00952	1.9
59.01252	46.4
69.03317	3.3
71.01255	100.0
71.57144	0.9
72.01577	1.6
72.99176	3.6
73.02819	45.3
75.00748	3.3
83.01250	16.3
85.02822	46.2
85.99958	1.0
87.00752	6.1
89.01767	1.0
89.02322	20.4
90.25429	1.3
95.01267	8.1
97.02825	6.8
99.00761	19.9
101.02323	75.9
102.02675	1.4
103.74687	1.1
105.02811	1.0
111.00764	2.2
111.08253	0.9
113.02328	37.5
115.03883	4.3
123.00729	1.4
125.02334	11.2
129.01840	2.0
130.03720	0.9
131.03401	4.5
143.03404	5.6
149.04489	1.9
159.02916	10.1
159.33209	1.0
161.04471	56.8
162.04810	1.5
169.01328	1.5
177.01938	1.1
188.25349	1.0
191.05492	1.9
205.03442	2.6
233.06589	9.4
253.87732	0.9
269.10287	98.3
270.10672	7.1
293.08713	3.3
384.38358	0.9
401.14520	79.4
402.15109	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	401.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70016	0.3
55.01755	0.7
57.03331	0.5
59.01252	4.0
65.00188	0.7
67.01762	1.0
68.99670	0.3
69.03324	0.5
69.49493	0.6
69.49898	1.8
71.01257	4.8
72.61104	0.3
72.99174	1.0
73.02836	1.8
78.08147	0.3
79.01781	1.5
79.02174	0.3
81.03350	0.4
82.04326	0.3
83.01266	2.0
85.02818	2.9
87.00787	0.4
89.02324	1.1
93.03377	0.4
95.01274	2.4
97.02810	1.1
99.00738	0.3
101.02331	4.4
107.01275	3.4
109.02801	0.4
109.99965	0.6
111.00768	3.5
113.02327	1.9
120.99541	2.3
123.00775	17.2
124.01588	1.1
125.02334	14.9
126.02663	0.9
127.00256	0.7
136.98709	1.9
137.02341	0.5
139.00256	4.5
140.01068	4.7
141.01834	2.8
151.00273	11.0
153.01830	0.9
154.99614	0.4
163.03893	0.4
168.00551	5.2
169.01338	17.7
170.01749	0.5
177.01884	0.4
177.12694	0.3
179.03387	0.5
181.05037	0.4
205.10728	0.3
205.99478	0.4
207.60956	0.4
224.83267	0.4
227.03418	0.4
253.03589	0.5
269.00980	0.3
273.00247	0.4
282.16113	0.3
285.03973	0.6
298.37756	0.4
313.05777	1.4
343.59708	0.4
357.06033	0.8
369.06314	0.6
371.00876	0.4
401.14496	100.0
402.14850	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	401.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.5
57.03321	0.6
58.00457	0.3
59.01260	3.8
65.00218	0.5
67.01758	0.9
68.78631	0.3
68.99704	0.3
69.03313	0.4
69.23808	2.0
69.24233	1.4
71.01254	5.8
72.99191	0.8
73.02832	1.3
75.00757	0.3
79.01764	1.0
83.01262	1.7
85.02834	2.5
87.00730	0.5
89.02319	1.2
90.17639	0.3
95.01274	1.9
97.02840	0.7
99.00751	0.8
101.02338	2.9
107.01278	2.2
109.99961	0.4
111.00790	2.4
113.02340	1.4
119.03430	0.3
123.00779	11.9
124.01556	1.2
125.02345	13.8
126.02664	0.4
126.83054	0.3
127.00272	0.9
136.98724	1.8
137.62080	0.3
139.00273	5.0
139.03795	0.3
140.01074	3.8
141.01848	2.1
145.21550	0.3
151.00275	10.6
152.00653	0.3
153.01831	0.7
154.99834	0.3
157.20093	0.3
160.01711	0.3
161.04477	0.3
164.98274	0.3
168.00572	5.1
169.01349	17.0
170.01697	0.7
178.60022	0.3
181.05083	0.6
211.02388	3.4
271.04645	2.2
273.56754	0.3
299.99106	0.4
313.05731	0.6
401.14508	100.0
402.14822	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	401.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91999	8.6
59.01255	9.0
59.32314	7.3
61.98701	37.2
71.01250	19.4
71.14066	19.4
86.72704	9.1
87.00781	12.1
89.02320	13.2
101.02328	10.2
119.03432	11.5
155.92474	9.1
170.68282	8.1
191.05507	100.0
214.58057	8.8
218.13780	8.0
341.10690	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	401.0878
Annotation	5,2',5'-Trihydroxy-3,7,8-trimethoxyflavone 2'-acetate
Peak:m/z	Relative Intensity
59.01253	0.5
63.43779	0.3
64.29016	0.4
71.44601	0.6
76.99237	0.3
86.56444	0.3
116.20473	0.3
121.02854	2.9
133.02783	0.4
150.02930	0.3
173.11877	0.4
177.01852	1.1
177.50192	0.4
189.01874	0.7
190.02635	2.0
199.03961	0.4
200.01131	0.4
200.04704	0.5
201.01892	0.7
202.02629	1.3
203.03401	0.8
205.01390	0.6
212.04768	0.4
214.02603	0.6
215.03314	0.7
216.04282	1.8
217.01479	0.7
218.02139	1.0
221.39449	0.4
224.04732	0.4
226.02715	1.4
227.03455	3.0
228.00584	1.4
228.04115	0.5
229.01367	1.0
230.02174	1.2
230.05743	0.8
240.04230	1.7
241.01389	0.6
241.05005	1.0
242.02136	1.6
242.05856	0.5
243.02934	4.9
244.03719	1.0
245.00917	1.0
246.01717	0.5
251.03392	0.5
253.01450	0.6
254.02232	1.0
255.02966	1.8
255.10284	0.6
256.00244	0.5
256.03711	1.1
257.00845	1.6
258.01602	1.7
259.02530	1.2
267.02902	1.8
267.10193	0.5
268.03769	2.8
269.04413	0.6
270.01703	1.2
271.02451	3.1
272.03275	2.1
273.00430	4.4
273.11322	0.7
274.01196	25.2
275.01535	1.8
279.03064	0.6
281.00854	0.6
281.04657	0.4
282.01727	1.8
283.02567	3.0
283.09695	1.6
285.00388	0.7
285.11343	1.3
286.01096	0.4
287.01782	0.9
295.02377	0.5
295.09705	0.5
296.03241	1.0
297.04004	1.7
299.01968	10.6
300.02722	11.1
301.03241	0.7
301.10843	1.1
310.04941	0.6
311.05786	0.7
311.09198	7.0
312.09488	0.8
313.03513	1.0
313.07062	1.3
313.10770	1.0
314.04346	5.5
315.04700	0.4
329.10300	1.8
339.08734	7.7
340.09256	2.6
341.10117	0.4
357.09793	100.0
358.10135	11.0
360.96262	0.4
401.08762	41.0
402.09232	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	401.0879
Annotation	7-Hydroxy-5,6,8,3'-tetramethoxy-4',5'-methylenedioxyflavone
Peak:m/z	Relative Intensity
55.25269	0.5
55.32164	0.6
57.11531	0.6
59.01254	4.8
64.64316	0.6
65.00172	1.4
68.96516	0.6
71.01241	2.9
71.35310	1.4
78.59502	0.8
89.02313	1.5
89.03854	1.4
89.69174	0.6
91.01740	2.0
93.03345	2.1
95.01241	1.2
95.04903	8.9
97.32696	0.7
101.02327	2.0
101.03839	1.4
105.03333	0.9
107.01255	0.9
108.02063	1.1
109.02837	2.1
113.02337	1.1
117.03377	5.7
119.01256	1.0
119.03399	1.3
119.04868	0.7
121.02857	4.3
123.04392	1.0
124.01609	1.0
127.07549	2.2
132.02078	1.0
133.02847	3.0
133.99957	1.7
135.00789	1.0
136.01608	0.9
137.02338	2.5
145.02863	4.6
146.03574	1.9
147.00760	2.9
147.04384	2.3
148.01552	2.3
149.02379	1.5
155.22836	0.7
157.02817	1.1
157.06528	0.7
158.03691	1.3
159.04372	0.9
160.01555	0.8
161.02345	6.8
161.99475	1.3
162.03082	1.3
163.00285	11.5
163.03917	1.9
164.01076	5.6
165.01807	3.6
173.02376	18.8
174.03163	12.6
175.00301	2.2
175.03798	1.0
176.01077	28.0
177.01842	6.9
178.02496	1.1
178.99829	3.2
179.03384	1.4
181.06523	0.8
183.04337	0.7
185.02393	4.4
186.03172	1.7
187.03879	1.4
189.01863	11.8
190.02620	13.6
190.99806	2.7
191.03264	2.5
192.00548	3.0
193.01190	0.7
195.04474	1.3
196.05287	1.3
197.06017	1.3
197.09810	0.7
198.03116	0.6
199.03954	1.2
201.01888	16.1
202.02658	56.2
202.99760	1.6
203.03195	5.5
204.00587	6.3
205.01364	2.9
206.02122	2.5
206.99289	4.0
208.00066	25.3
209.00778	3.0
209.05974	1.2
211.03894	1.4
211.07552	1.2
212.04581	0.7
213.01849	1.6
213.05540	2.0
214.02701	1.4
215.03409	3.0
216.00630	1.6
217.01396	7.7
218.02052	1.7
218.99313	3.8
220.00069	1.6
221.00868	2.9
221.15474	1.2
222.01643	1.3
223.03938	1.8
223.07578	1.2
224.04735	1.1
225.05521	2.6
225.09137	2.1
226.02707	1.5
227.03435	6.4
227.06900	1.3
228.00606	0.9
229.01376	12.3
229.04901	1.0
230.02150	30.5
231.02618	2.7
232.00082	11.3
233.00861	4.5
233.98080	3.4
234.01509	0.8
234.98540	0.8
237.05386	1.3
238.06207	1.1
239.07176	0.8
239.16510	0.9
240.04256	3.5
241.05026	8.3
241.08681	2.5
242.02258	0.7
243.02893	1.9
243.06564	1.4
245.00867	24.3
246.01506	3.4
246.98828	8.9
247.99577	8.7
251.07112	1.2
253.04971	2.2
253.08643	2.5
254.05876	3.7
255.03201	1.1
255.06589	5.6
256.03482	1.0
256.07074	0.7
257.04510	2.5
259.99670	5.9
260.02274	1.0
261.00339	6.4
262.00922	1.0
265.04797	0.9
267.02957	1.3
267.06226	0.7
268.03723	1.4
269.04584	3.8
269.08215	8.8
270.09079	3.4
271.06100	2.3
273.00504	5.2
274.01178	22.5
274.04205	1.3
275.01752	3.2
279.06644	1.0
281.04550	6.5
281.08139	2.3
282.05280	6.8
283.05978	2.3
285.04077	5.1
285.11435	0.8
286.04587	1.2
296.06876	1.2
297.07675	30.1
297.11075	1.6
298.08414	17.0
299.05640	5.0
299.08618	1.1
300.06375	1.3
313.07260	1.4
313.10593	1.7
325.07199	11.7
327.05151	0.9
329.10294	12.4
330.10617	1.4
341.06650	2.2
342.07306	1.3
355.08157	1.1
357.09830	8.5
357.13797	1.2
358.09906	0.8
369.06024	3.3
373.09256	40.5
374.09592	4.8
401.08762	100.0
401.21790	5.9
402.09167	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	401.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52693	0.9
59.01248	2.9
71.01258	1.6
85.02824	1.7
89.02317	1.0
91.01781	0.9
93.37456	0.8
101.02335	1.4
104.02567	0.9
120.11420	0.8
121.02861	9.9
123.00766	1.4
125.02303	1.6
128.02557	0.9
132.02036	4.7
143.01222	0.9
144.02090	4.3
147.00766	2.4
148.01572	1.9
151.00197	0.8
156.02090	1.5
160.01579	6.9
161.02220	0.7
161.04544	0.8
162.03090	1.6
171.00737	1.1
171.04387	0.9
172.01578	16.5
173.02382	1.2
175.00331	1.4
176.01045	2.2
177.01808	1.0
184.01558	2.1
188.01093	9.3
189.01750	2.8
190.02589	1.4
192.00555	1.6
199.00352	1.2
200.01085	15.3
202.02585	1.6
204.00574	3.2
214.99776	2.8
216.00584	24.3
217.01186	3.7
218.02190	0.8
223.03943	0.8
225.05537	1.2
225.09227	0.8
228.00580	5.7
230.02112	1.8
230.99149	1.1
238.06262	0.8
240.04353	1.2
241.04927	1.2
242.99352	1.0
244.00082	20.9
245.00706	3.2
246.01677	3.4
251.07094	2.4
255.02994	3.0
256.00104	1.2
257.08139	1.2
258.01755	1.1
267.06644	1.7
269.00861	1.7
269.08020	1.0
269.53946	0.8
270.01605	1.5
270.98679	0.9
271.99615	38.8
273.00021	3.3
279.06644	1.1
281.04855	0.9
283.02548	1.5
285.07794	1.9
286.01221	7.0
292.03635	1.0
295.05988	1.1
297.07599	3.1
297.97470	1.5
299.99103	100.0
300.99484	9.0
304.02194	2.8
307.06207	5.9
308.06711	1.5
312.06393	7.5
313.07120	16.5
314.07458	1.4
325.07224	3.6
326.07480	0.9
327.21933	2.0
332.01730	71.8
333.02036	5.1
337.41174	0.8
341.06750	4.9
342.07169	1.2
357.05954	1.7
357.09979	2.9
369.06143	63.5
370.06454	5.4
401.08746	16.0
401.21271	1.3
402.09186	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2904
Annotation	DHEA ENANTHATE
Peak:m/z	Relative Intensity
52.98864	0.2
59.01252	0.2
65.12123	0.2
80.45308	0.2
85.06476	1.7
89.13755	0.2
93.92829	0.2
95.04894	0.2
97.06468	0.7
98.19774	0.6
112.45964	0.2
113.53842	0.2
140.42967	0.2
148.10100	0.2
205.64053	0.2
229.64677	0.3
355.08087	0.3
399.29031	100.0
400.29373	14.9
400.34909	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1298
Annotation	Dracunculifoside E
Peak:m/z	Relative Intensity
54.61563	0.6
59.01255	4.4
63.53036	0.6
71.01251	4.9
71.57400	1.0
71.57766	0.9
72.99217	0.9
73.02818	1.7
75.00768	0.6
83.01295	1.6
85.02825	2.0
87.00775	0.8
89.02322	1.3
95.01258	0.9
99.00760	1.2
101.02324	3.5
113.02339	2.0
114.34803	0.7
117.03314	0.9
119.04913	1.7
121.87856	0.6
123.00820	0.7
125.02351	1.1
130.44044	0.6
132.02051	1.4
133.02856	30.1
135.04404	6.5
137.02251	1.0
139.00301	0.8
145.02870	1.9
147.04414	1.6
160.08881	0.9
161.02354	100.0
162.02673	3.8
163.03917	2.3
165.03969	0.8
165.05415	0.7
166.99889	0.8
168.00613	0.8
169.01381	3.2
175.11278	0.7
179.03447	4.5
219.10185	1.3
247.34409	0.7
251.11441	0.7
284.03171	0.8
300.99677	0.8
371.11505	1.0
399.12943	75.6
400.13260	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	399.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97480	0.9
55.01759	1.9
57.03329	2.2
58.00469	2.5
59.01255	51.0
65.71329	0.8
69.47466	8.1
71.01258	31.5
71.08159	0.8
72.99187	3.4
73.02824	1.5
83.01277	2.7
83.04896	4.8
83.29040	0.9
85.02825	7.3
89.02323	27.8
91.05405	1.6
93.06989	4.2
93.47685	1.0
95.01267	2.2
96.95897	13.9
99.00765	1.4
101.02334	16.7
113.02343	8.2
119.03411	10.5
119.04900	2.6
121.02867	1.6
125.02340	1.3
133.10114	6.0
143.03400	1.7
145.06500	8.2
157.10110	3.1
158.07365	1.9
159.08075	5.0
160.01614	1.9
160.08862	50.7
161.02380	2.0
161.04459	2.2
161.09230	2.8
162.30913	1.1
169.01424	1.2
173.09610	9.1
175.03908	2.5
175.11211	87.7
176.11560	4.6
179.05545	1.6
206.42851	1.1
219.10228	100.0
220.10597	6.0
251.11369	4.8
299.99252	1.5
300.99744	1.8
310.19543	0.9
399.16656	48.3
400.17117	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98151	0.4
57.03309	0.4
59.01257	10.0
62.64383	0.4
65.00195	0.4
67.01765	1.1
67.49461	0.4
68.99712	0.4
69.03328	0.4
71.01258	6.8
72.99182	0.7
73.02819	1.1
74.97326	0.4
75.29009	0.4
79.01757	1.7
81.68295	0.5
83.01263	1.3
85.02820	2.4
87.00764	0.7
89.02321	3.3
95.01275	2.8
97.02860	1.0
101.02334	3.2
104.97707	0.4
107.01276	5.3
109.99974	1.0
111.00774	3.6
113.02334	2.5
119.03425	0.6
123.00777	19.2
123.01676	0.9
124.01584	1.3
125.02343	18.3
127.00269	1.2
135.04390	0.5
136.98750	2.3
139.00273	6.0
140.01065	5.4
141.01877	2.6
150.99254	0.4
151.00278	11.2
152.00713	0.7
153.01907	0.7
154.96094	0.4
154.99852	0.7
156.14848	0.5
161.04491	0.5
166.99812	0.4
168.00597	5.1
169.01353	21.7
170.01697	0.9
177.03958	1.6
177.05431	0.4
181.05051	0.4
211.02452	2.8
219.10364	0.7
224.11130	0.4
271.04510	2.0
299.99023	0.4
313.05643	1.0
329.05099	0.7
399.12958	100.0
400.13278	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	399.1296
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
55.01739	0.5
57.03311	0.5
58.00456	0.4
59.01255	9.6
67.01764	1.5
69.03301	0.8
71.01253	7.6
72.99171	1.4
73.02802	1.3
78.68361	0.4
79.01759	1.6
81.69757	0.4
83.01257	2.1
83.77068	0.5
84.12704	0.4
85.02831	2.5
87.00755	1.1
89.02325	4.2
95.01270	3.1
96.95874	0.8
97.02810	1.0
99.00754	1.0
101.02322	5.0
107.01279	5.0
108.58413	0.4
109.99958	0.5
111.00768	4.0
113.02352	1.3
117.88253	0.5
119.03391	0.7
123.00773	20.1
124.01569	1.5
125.02340	20.3
127.00270	1.3
135.04428	0.9
136.98711	2.4
138.86462	0.4
139.00278	5.7
140.01089	5.2
141.01859	3.2
141.77596	0.5
151.00273	11.5
153.01813	0.9
161.02377	0.5
161.04546	0.5
163.03926	0.6
166.99799	0.5
168.00566	5.2
169.01346	24.3
170.01656	0.9
177.04001	1.6
177.05414	0.7
181.05003	0.4
186.42986	0.5
193.01344	0.5
199.00459	0.4
211.02432	2.7
219.10130	0.7
271.04605	1.8
313.05753	1.0
329.05087	0.6
329.49655	0.5
355.04730	0.5
368.35968	0.5
376.92700	0.5
399.12933	100.0
400.13278	9.8
423.63953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.072
Annotation	demethylpremithracinone
Peak:m/z	Relative Intensity
55.04684	0.2
63.75762	0.2
72.60537	0.2
86.05514	0.2
98.19801	0.4
121.02877	0.3
125.02381	0.3
129.28973	0.2
137.02327	0.3
161.02402	0.3
165.01929	0.5
171.04480	0.3
172.01561	0.3
173.02295	0.5
174.03146	0.7
176.01134	0.6
177.01875	1.4
178.45525	0.3
183.04474	0.5
186.03098	0.4
187.03941	0.5
188.01060	0.3
189.01883	1.0
190.02663	2.8
192.00586	0.5
193.01341	3.2
195.04527	0.3
196.05338	0.3
197.09851	0.2
198.03114	0.6
199.03963	0.5
200.01132	1.5
200.04706	0.2
201.01836	0.8
202.02606	1.7
203.03424	0.9
205.01381	0.8
209.05882	0.5
210.03188	0.3
211.03857	0.6
212.04782	0.5
213.01874	0.9
214.02687	0.9
215.03447	0.6
216.00568	0.5
216.04311	0.4
217.01447	0.7
218.02184	2.1
221.00851	4.3
222.01474	0.5
223.03931	0.4
223.07533	0.3
224.04831	0.5
225.05453	0.5
226.02704	0.8
227.03416	1.7
228.00597	2.2
228.04164	0.4
229.01393	1.0
230.02151	1.3
231.02911	0.6
237.05493	0.5
237.09178	0.3
238.06300	0.5
239.03456	0.7
240.04279	0.5
241.01419	0.4
241.05138	0.9
242.02139	2.6
243.02959	0.9
244.03424	0.2
245.00912	1.3
246.01720	0.9
247.01807	0.2
249.05577	0.3
251.03412	0.4
251.07045	0.3
252.04225	0.3
253.01343	0.4
253.04973	1.2
253.08771	0.6
254.02133	0.4
254.05917	0.4
255.02989	0.9
255.10318	0.6
256.00259	0.6
256.03683	0.7
257.00800	2.4
258.01724	2.5
259.02481	1.0
263.03583	0.6
263.07153	0.3
264.04095	0.5
265.04990	0.6
265.08594	0.4
266.06049	0.3
267.03088	0.6
267.06570	0.6
268.03732	0.4
269.00922	0.5
269.04559	0.6
270.01700	0.5
271.02509	1.8
271.09772	0.6
272.03094	0.4
273.00381	2.2
274.01184	25.7
275.01486	2.0
277.04935	0.4
279.02991	2.2
280.03717	1.2
281.01236	0.4
281.04568	2.0
281.08224	1.2
282.01666	1.0
282.05017	0.5
283.02460	2.5
283.09790	0.9
284.03241	1.5
285.00397	0.6
285.03552	0.3
286.01193	0.6
287.01956	2.2
288.02661	1.1
291.06506	0.3
293.04611	0.9
293.07990	0.4
294.05148	0.3
295.02448	0.3
295.05994	0.4
297.04095	0.5
297.07413	0.3
298.04721	0.3
299.01962	4.5
299.09198	1.1
300.02664	2.1
301.03381	0.3
307.02451	0.7
308.03308	1.5
309.03967	1.1
309.07742	2.9
310.08167	0.4
311.02011	0.4
311.09232	0.9
312.02762	1.8
319.05978	0.4
322.04587	0.3
323.05536	1.1
325.03522	2.9
326.04242	1.4
327.08725	0.9
336.05829	0.3
337.07162	3.7
338.07980	1.6
339.04980	0.5
340.05862	0.6
355.08218	100.0
356.08554	10.9
399.07187	8.1
400.07568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2595
Annotation	Ligantrol monoacetate
Peak:m/z	Relative Intensity
56.64279	1.3
57.03320	7.5
61.74601	1.5
69.45831	9.4
69.46240	2.5
71.01248	2.6
71.04858	1.6
71.16072	1.4
71.95089	1.4
79.97611	1.4
89.86990	1.5
93.89767	1.4
97.99990	5.4
121.06471	4.8
150.50128	1.3
161.41028	1.5
275.23895	4.2
285.19913	1.6
289.25391	42.0
290.25659	2.6
291.26898	17.3
309.27872	2.8
323.52063	1.5
328.98621	1.8
335.25912	89.2
336.26364	8.5
379.24908	100.0
380.25214	11.9
397.25986	57.8
397.31027	5.0
398.26416	5.1
398.31418	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	398.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22729	0.7
52.54308	0.7
54.00919	0.7
55.01765	0.8
59.01245	3.6
67.01742	1.8
69.80109	0.6
70.59421	2.1
71.01255	9.0
73.02808	1.7
79.01769	1.1
81.54990	0.8
83.01287	1.2
85.02814	3.2
89.02319	1.4
95.01252	2.0
97.02814	1.0
101.02309	4.0
107.01271	8.9
111.00755	2.7
113.02315	2.9
117.75607	0.6
123.00771	17.6
124.01588	1.4
125.02342	40.0
126.02679	1.1
137.02393	1.0
139.00313	4.0
139.53471	0.7
140.01093	4.1
141.01799	2.9
145.60732	0.8
151.00284	11.2
153.01834	0.7
161.04475	1.2
168.00636	3.8
169.01338	47.1
170.01587	1.3
211.02435	2.5
223.02246	1.1
241.03503	0.8
271.04623	2.2
289.21478	0.8
313.05646	12.2
371.09891	2.9
398.10913	100.0
399.11249	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	397.0564
Annotation	Arteminorin C
Peak:m/z	Relative Intensity
52.51852	0.7
59.01245	2.5
59.35340	0.7
65.62689	0.8
70.97134	0.7
71.01258	1.3
71.57602	1.4
96.95901	0.7
100.94592	0.8
101.02325	1.5
101.05988	1.6
145.04962	2.4
153.50824	0.7
160.01569	1.8
165.25792	0.7
171.00674	1.0
172.01593	1.5
187.00363	2.2
188.01048	1.3
199.00304	1.2
200.01082	2.8
213.49739	0.8
213.98259	0.8
214.99757	4.1
216.00577	2.4
218.12578	0.7
240.88489	0.9
242.99318	18.9
243.99980	3.0
270.98840	65.5
271.99323	4.4
283.99747	1.6
298.98334	47.7
299.99103	100.0
300.99429	6.7
325.03253	1.0
397.05655	93.2
397.22586	2.7
398.06009	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	397.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	92.3
60.01592	1.9
69.01261	1.8
70.14974	1.7
71.01253	48.8
71.04884	6.5
71.10444	1.8
73.02841	4.3
81.03316	2.4
87.00752	36.8
95.04860	1.9
96.95914	2.4
97.06438	3.1
99.28205	1.9
104.92001	1.6
107.04932	4.1
107.40509	1.7
113.05982	2.7
115.00260	42.0
120.05686	4.0
121.06487	5.2
133.01340	17.9
135.04398	3.2
146.07320	2.1
153.01157	1.7
153.28273	1.7
157.06404	2.2
159.11633	5.7
161.09634	33.3
161.13243	13.6
162.09851	1.8
163.11197	2.6
168.06357	1.6
185.09625	2.4
187.11217	97.7
188.11549	6.6
189.09155	18.8
205.12312	22.1
206.12668	2.1
207.10229	2.1
219.13853	44.7
220.14072	2.4
221.11760	3.4
225.18111	1.8
237.15051	3.8
242.99323	5.4
249.11255	13.5
263.16223	1.7
267.12332	29.1
268.12708	2.6
270.98837	23.2
281.13950	100.0
282.14270	7.4
298.98459	14.9
299.99066	2.7
353.06717	6.4
397.05618	27.1
397.17538	2.5
397.22287	6.7
398.06134	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	397.0311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73176	6.0
58.74829	5.7
59.01274	8.2
63.73155	4.9
71.01259	9.6
71.56957	8.5
87.00761	7.8
96.95898	8.4
117.15377	6.0
145.02879	12.0
151.81842	6.3
160.01540	26.5
161.02336	7.9
169.01402	9.7
173.02368	6.9
175.03923	36.7
177.01982	6.6
189.01892	13.2
190.02606	9.9
190.98042	7.0
193.04858	7.1
200.01160	6.6
216.00519	7.9
217.01350	12.4
229.01363	10.3
230.99271	6.1
239.02122	10.9
242.99455	14.9
244.00150	9.3
245.00854	55.9
246.01569	10.1
261.00482	14.8
270.00577	6.9
270.98764	42.7
271.99432	14.1
273.00418	65.4
274.00851	8.2
280.02640	9.7
283.99368	10.9
284.02078	17.8
295.01257	11.1
298.98361	83.9
299.01553	10.5
299.99069	96.3
300.02118	8.2
300.99890	59.1
302.00275	7.0
308.01907	7.7
310.00055	10.0
313.02621	30.2
315.01120	5.9
316.99521	32.9
328.00977	14.9
335.03134	8.2
339.00098	47.3
340.00815	22.1
353.04071	11.3
357.01196	66.2
370.01874	18.0
379.02057	52.3
397.02997	100.0
397.11392	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	395.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49153	2.5
59.01254	52.0
60.01152	2.5
71.01258	33.1
71.05325	6.6
72.99171	2.8
82.07925	2.7
83.01274	3.4
85.02818	7.0
86.46202	2.5
87.00774	4.0
89.02314	23.8
99.00760	3.2
101.02321	18.7
109.42978	2.7
113.02326	10.0
115.03912	2.7
115.05409	6.5
119.03384	7.5
125.02317	3.8
151.88669	3.5
156.59715	2.6
165.05450	3.5
169.01274	4.1
171.04437	6.0
187.03918	11.6
189.05487	10.4
194.24414	2.8
202.20070	2.8
233.04486	22.9
261.28970	2.6
297.50064	2.8
395.09833	100.0
396.10272	4.8
413.59915	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	395.1922
Annotation	Creoside IV
Peak:m/z	Relative Intensity
55.01760	5.6
56.07497	0.6
57.03334	3.9
58.00447	1.4
59.01253	37.4
60.30311	0.6
61.21337	0.6
69.03310	1.4
69.44623	4.3
69.45025	1.3
70.71145	0.6
71.01255	50.2
72.01609	0.8
72.99181	2.4
73.02821	31.8
73.07946	0.6
75.00737	1.2
78.55529	0.6
79.05174	0.7
81.03343	0.9
83.01259	12.5
85.02825	29.3
85.99950	1.3
86.03165	0.9
86.26488	0.7
87.00292	0.6
87.00749	3.2
89.02319	11.0
95.01251	3.8
97.02813	2.5
99.00758	11.1
99.01354	1.0
99.08044	0.8
101.02322	57.7
102.02633	0.7
111.00772	1.6
113.02337	20.5
115.03880	1.4
125.02312	3.1
129.01862	1.0
131.03387	3.4
143.03397	2.5
148.98648	0.6
149.04474	1.1
159.02930	4.6
161.03195	1.3
161.04472	20.5
192.80650	0.7
205.03401	1.0
233.06714	3.5
263.14996	100.0
264.15369	6.0
288.10388	0.7
351.05408	0.7
395.19220	59.8
396.19513	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	393.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12433	0.6
57.19416	0.5
57.21022	0.6
59.01250	100.0
60.01588	1.0
70.06042	3.5
71.01254	8.3
85.02824	1.5
87.00737	1.2
87.04438	1.0
89.02313	10.2
98.20471	0.9
101.02325	4.6
107.01278	2.1
111.00763	0.8
113.02332	3.1
116.83552	0.7
119.03400	3.7
123.00800	1.5
125.02354	7.0
126.02666	1.1
139.00284	1.3
140.01077	0.8
143.03448	0.8
161.04475	1.3
168.00577	1.0
169.01312	6.7
170.01675	1.4
179.05530	1.2
211.02361	0.7
218.53238	0.6
231.06555	0.6
241.53719	1.3
242.03676	0.7
316.58978	2.7
317.09479	5.9
317.59677	1.9
393.23114	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34628	0.8
59.01254	5.2
60.85359	0.8
68.86969	0.8
69.10315	1.0
71.01253	4.9
71.57633	1.7
73.02837	1.8
80.27759	1.0
85.02819	1.8
87.00752	1.1
89.02324	1.7
96.95884	0.9
99.20386	0.9
101.02337	2.9
113.02362	1.4
119.04906	9.5
121.48344	1.1
124.07664	1.0
125.02333	1.3
135.04449	1.4
161.04427	1.5
169.01263	1.1
173.11736	1.1
182.03641	2.3
199.00739	4.4
207.04488	1.4
210.03171	3.5
215.00031	2.0
223.07556	1.3
234.03117	1.0
235.04016	3.5
237.02039	1.1
238.02681	5.0
239.06995	1.3
251.03394	1.9
251.07014	1.6
252.04285	1.3
263.03506	5.0
263.15082	1.6
264.04239	1.6
265.62521	0.9
266.02206	4.8
279.03055	2.9
279.06412	1.6
291.03244	1.2
294.01553	1.9
295.06067	3.1
299.99039	3.0
300.99939	2.3
305.00955	8.1
307.02515	7.3
308.03110	2.8
319.02399	1.4
319.07666	1.0
321.00516	1.3
322.01172	62.0
323.01526	4.7
323.05609	11.7
324.06152	0.8
334.01062	1.6
335.01981	77.2
336.02570	18.8
340.00925	1.7
349.03537	3.6
351.05084	100.0
352.05447	9.4
367.04651	3.5
372.45499	0.9
395.04581	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	393.2133
Annotation	JBIR-56
Peak:m/z	Relative Intensity
51.16265	1.2
55.01750	2.3
56.96877	1.0
58.00470	1.3
59.01255	100.0
61.98705	1.5
66.51206	1.2
71.01257	30.9
72.82535	1.0
72.99181	2.9
73.02824	5.7
75.00742	1.3
83.01260	4.1
85.02832	12.4
87.00728	1.8
87.04414	6.7
89.02328	19.4
95.01277	2.1
96.95873	1.7
98.19689	2.3
99.00772	2.6
101.02333	23.3
113.02345	10.7
113.09658	1.4
119.03403	11.0
125.02357	4.4
143.03394	1.9
159.02927	1.4
161.04495	7.2
169.01369	2.3
173.05910	1.2
179.05515	2.1
213.14868	3.5
214.99768	3.2
229.85184	1.5
269.98093	1.3
274.01205	2.7
275.01898	2.7
317.03177	1.7
333.19327	3.6
370.48532	1.3
372.52429	1.4
375.20410	2.7
393.04495	6.5
393.21304	73.2
394.21719	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	393.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.8
59.01253	100.0
60.01588	0.9
71.01266	9.6
71.57740	1.3
72.99188	1.1
73.02813	2.3
83.01258	1.9
85.02821	4.1
89.02322	6.7
96.95886	0.9
101.02314	5.9
113.02330	4.0
119.03392	2.9
125.02326	1.5
143.03387	0.9
145.08638	0.9
157.26746	0.9
161.04491	4.6
169.01331	2.2
179.05554	1.0
195.06581	1.5
205.90970	0.7
209.38414	1.0
278.80121	0.8
303.00146	0.8
333.19226	6.0
351.08481	0.8
375.20563	0.9
393.17139	1.1
393.21176	9.0
394.21631	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57308	1.0
55.01766	4.6
55.01996	0.9
57.03317	3.8
58.00470	1.7
59.01252	33.2
69.03342	1.6
69.60455	1.9
69.60860	4.8
71.01254	48.2
72.01571	1.0
72.99181	2.3
73.02822	29.4
75.00761	1.3
81.03355	1.2
83.01262	9.8
85.02823	26.5
85.97166	0.9
87.00754	2.6
87.83667	0.8
89.02316	11.0
95.01274	5.4
97.02849	2.2
98.20457	1.4
99.00751	9.9
101.02326	49.8
101.05921	0.9
102.02621	1.4
107.01270	4.2
111.00740	1.9
113.02332	21.9
115.03928	1.5
121.06668	1.0
123.00763	1.8
125.02345	17.8
126.02641	3.1
129.01822	2.3
131.03413	3.2
141.08846	0.9
143.03418	2.7
149.04509	2.0
159.02942	4.8
161.04471	23.4
168.00647	1.9
169.01343	18.2
169.08592	1.4
170.01729	4.3
187.03937	0.9
205.03323	1.1
216.00636	0.9
225.42354	1.1
233.06599	2.5
241.03493	2.4
261.13422	93.9
262.13791	7.7
275.01981	1.5
300.99860	7.0
302.00278	4.0
303.00247	1.4
305.12540	1.2
316.53513	3.9
317.03967	2.2
333.15430	1.4
393.17670	100.0
394.18030	11.3
409.48355	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2857
Annotation	Chenodeoxycholate
Peak:m/z	Relative Intensity
59.01255	7.3
69.03316	0.9
71.55404	0.8
71.55880	1.3
78.93774	0.8
86.36154	0.8
94.03024	0.7
95.87427	0.9
104.00926	0.9
131.55409	0.9
136.56456	0.8
140.85849	0.8
180.94356	0.8
237.10292	0.8
255.23257	1.5
307.10834	0.9
310.68292	0.9
311.23993	1.0
313.46539	0.9
329.28500	43.5
330.28876	4.7
347.29575	18.8
348.29868	1.4
373.27405	1.5
391.28537	100.0
392.28836	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	393.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.3
55.81385	0.4
57.03320	2.0
58.00471	5.0
59.01252	100.0
60.01584	1.0
60.99199	0.4
69.03333	2.2
70.09825	2.2
71.01256	62.1
72.01601	1.1
72.99182	7.8
73.02820	24.9
75.00742	1.3
75.88376	0.5
81.03354	0.7
83.01255	5.8
83.04906	0.4
85.02824	20.3
85.99959	1.5
86.03151	0.4
87.00751	11.9
87.04383	3.4
89.02320	59.3
90.02622	0.6
95.01266	2.6
95.11322	0.4
97.02824	1.8
99.00771	1.8
99.04383	1.2
101.02325	58.7
101.05952	1.6
102.02665	1.1
103.03889	19.5
105.79063	0.4
107.01245	0.7
109.02821	0.9
111.00761	0.6
113.02337	16.7
114.02649	0.4
115.03917	4.0
117.32273	0.5
119.03391	24.4
120.03691	0.5
123.00764	0.8
125.02346	8.3
126.02661	0.8
127.03890	1.7
129.01839	3.3
131.02472	0.8
131.03397	11.1
136.39371	0.5
141.09109	0.6
143.03403	15.3
144.03781	0.7
145.04964	5.2
146.19371	0.4
149.04408	1.2
153.01759	0.5
159.02902	0.5
161.04477	3.3
163.06036	37.4
164.06325	1.5
168.00554	0.5
169.01346	5.3
169.08598	0.8
170.01653	0.6
179.05524	6.9
189.03966	0.4
201.01888	0.6
205.07114	28.3
206.07433	1.4
213.07497	0.5
231.08606	0.9
241.03441	0.8
247.11794	1.6
265.09204	0.7
270.60333	0.4
300.99725	1.4
301.99817	0.5
315.52966	0.5
316.03314	0.7
316.53265	0.8
317.03894	0.9
333.11896	0.5
393.17783	2.8
394.17752	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61194	0.6
55.34274	0.5
59.01254	100.0
60.01578	1.1
67.01791	0.7
69.29407	2.4
69.29842	3.3
71.01260	9.3
83.01293	1.2
85.02843	2.0
87.00752	0.9
89.02325	11.2
90.96175	0.6
95.01308	1.4
101.02336	5.5
107.01279	1.4
109.02876	0.7
111.00785	2.2
113.02335	4.8
119.03379	5.2
123.00800	1.7
125.02348	4.3
131.03499	0.9
137.02391	1.2
139.00284	3.3
140.01054	0.8
143.03395	1.0
149.50084	0.6
151.00294	1.9
161.04501	1.2
163.04057	1.0
166.99829	2.9
168.00597	0.9
169.01331	4.7
169.02553	0.5
178.99774	1.1
179.05571	2.5
193.01405	1.2
205.05014	1.1
227.03497	2.7
229.04991	0.6
249.04146	0.9
255.03075	2.5
271.02649	1.0
284.03360	1.7
300.02878	0.7
301.00226	1.3
301.03619	5.3
302.04010	1.2
308.29736	0.6
313.05606	3.3
315.04230	1.0
316.03094	2.0
317.03180	2.6
331.17569	1.7
391.19876	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00504	0.6
59.01252	100.0
60.01590	0.9
64.18818	0.5
69.80085	3.1
71.01247	3.2
71.63123	0.5
73.02806	0.6
73.43973	0.5
85.02846	1.2
89.02325	4.8
101.02324	2.7
101.92807	0.6
113.02381	1.6
119.03398	2.8
123.00733	0.7
125.02364	1.3
161.04488	1.1
169.01370	1.2
179.05641	0.7
248.99698	0.6
288.19553	0.6
305.35580	0.5
306.87338	0.6
316.03409	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.249
Annotation	6alpha-malonyloxymanoyl oxide
Peak:m/z	Relative Intensity
59.01247	7.4
86.15638	0.4
96.95876	0.7
101.02326	0.5
145.45351	0.5
179.86342	0.4
317.83221	0.5
329.25003	0.6
347.25879	65.1
348.26230	7.2
373.23819	11.5
373.28586	0.6
374.24265	1.0
391.24866	100.0
392.25201	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14806	25.8
59.01244	100.0
69.43755	23.1
98.20587	58.1
180.18663	24.5
194.20883	26.8
242.47629	24.4
248.08003	26.2
336.95328	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	391.1049
Annotation	Chemomicin A
Peak:m/z	Relative Intensity
53.19041	0.1
57.03331	0.1
59.01250	0.4
61.00890	0.5
67.01754	0.2
69.03321	1.1
71.01248	0.4
71.55924	0.1
72.99197	0.2
73.02817	0.7
75.00733	0.2
78.95786	0.2
80.91549	0.5
81.03336	0.2
83.01270	0.3
83.04899	0.5
85.02814	0.6
93.03340	4.8
94.03674	0.2
96.96852	0.6
97.02869	0.1
99.00752	0.3
99.04391	1.8
100.04734	0.1
101.02325	0.2
109.02847	0.5
111.00763	4.7
111.02477	0.2
111.04402	2.4
112.01122	0.2
112.98741	0.2
113.02335	1.3
125.02322	0.2
127.00320	0.1
129.01816	0.3
137.02336	1.3
142.99748	0.1
143.03418	1.2
152.61928	0.1
155.03389	0.9
155.05069	0.3
169.01352	0.4
173.00909	0.2
173.04462	2.5
181.04887	0.2
191.05574	0.7
199.04121	4.4
200.04433	0.2
217.01648	0.5
217.05194	7.6
218.05583	0.2
258.97794	0.1
259.06351	0.2
263.05603	0.1
347.07935	0.1
373.09631	0.2
391.10580	100.0
392.10919	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	389.2181
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
55.01757	1.0
57.03329	2.9
58.00473	5.5
59.01252	100.0
60.01613	0.8
63.26396	0.5
71.01255	73.0
71.58125	1.1
72.01608	1.2
72.99179	5.1
73.02809	2.5
75.00755	0.7
83.01271	2.2
84.88889	0.5
85.02829	11.5
85.03352	0.8
87.00771	3.9
89.02320	89.4
90.02670	1.5
95.01262	4.9
99.00739	0.7
101.02325	36.5
102.02682	0.6
109.02811	0.9
111.00803	0.5
111.08059	2.4
113.02332	27.8
119.03392	37.1
120.03746	1.2
121.87015	0.5
123.00792	0.9
125.02323	1.9
125.07121	0.6
125.09612	0.7
131.03412	3.4
135.04424	1.3
137.02338	0.9
139.00317	0.8
143.03403	5.1
145.02827	0.6
145.06085	0.9
147.04379	0.8
149.04439	1.8
153.09114	13.2
154.09445	0.6
159.81964	0.5
161.02357	0.8
161.04468	7.5
169.01320	1.5
174.03036	0.7
175.03938	2.8
176.22562	0.5
179.03464	0.5
179.03741	0.6
179.05521	9.3
180.04195	1.2
188.04671	0.6
189.05434	1.2
190.06308	2.5
191.07019	1.6
191.14346	1.2
194.05719	1.0
205.08598	2.0
209.15421	10.1
210.15742	0.7
227.16440	1.5
229.04927	0.9
242.64531	0.5
243.11319	0.7
255.02895	0.8
285.04065	2.8
389.08524	1.2
389.16180	2.2
389.21631	6.3
389.25528	2.9
390.21930	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1817
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.02988	1.4
57.03301	1.7
58.00469	2.4
59.01253	81.5
60.01597	1.8
70.91339	1.5
71.01254	40.6
71.34061	4.0
72.99182	4.9
73.02850	1.7
80.70869	1.7
83.01221	3.4
85.02848	8.3
87.00734	3.1
89.02319	35.8
89.02837	3.0
95.01271	4.7
101.02316	26.0
112.04910	1.6
113.02334	16.0
119.03373	16.6
125.02353	1.6
139.03912	3.7
154.06300	3.6
158.08676	1.5
169.93831	1.6
209.11772	19.4
227.12904	2.0
389.13858	4.2
389.18161	100.0
390.18457	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	4.6
59.01260	36.4
69.59798	2.8
81.03325	4.2
81.66649	3.8
90.42130	4.2
95.01273	6.5
101.16055	3.7
105.19712	3.6
106.32484	2.9
107.04893	3.4
109.02751	3.8
121.06493	3.4
123.04382	7.2
125.09612	9.1
137.09621	5.1
163.11217	14.6
179.10695	7.6
181.12286	3.3
185.11780	13.5
187.09776	2.9
191.14342	12.9
207.10034	41.3
219.09926	3.9
225.11267	7.4
245.19186	22.7
247.09526	16.6
248.10243	4.0
257.06403	3.1
289.18094	87.2
290.18414	8.5
295.03665	3.6
301.17233	4.1
303.18250	3.4
307.19156	62.1
308.19073	4.7
329.17188	100.0
330.17432	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	389.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	7.4
55.22270	0.7
57.03328	6.5
58.00468	2.8
59.01253	44.7
60.01587	0.7
62.71672	0.6
69.03333	2.1
69.57329	0.6
71.01258	100.0
72.01614	1.4
72.63078	0.7
72.99187	3.2
73.02822	29.6
73.21346	0.7
75.00747	1.5
83.01266	15.0
85.02826	47.0
85.99973	0.7
86.03168	1.3
87.00760	3.3
89.02324	15.3
95.01254	8.5
97.02854	2.2
98.19850	1.8
99.00768	12.5
101.02327	69.2
102.02684	1.3
104.80505	0.7
111.00793	0.8
113.02333	41.2
114.02741	1.0
119.03352	3.8
123.00793	0.7
125.02359	2.8
129.01837	1.6
134.33708	0.7
135.04433	1.8
137.09615	0.9
143.03397	4.8
150.01712	0.9
155.10660	3.5
159.02916	9.8
161.04471	38.9
162.04787	1.2
165.01706	0.8
166.48630	0.8
169.01390	1.9
176.01074	0.7
179.05577	1.2
179.07074	1.7
180.07838	3.6
185.11653	0.8
205.03519	1.6
209.15364	1.1
223.09726	3.4
227.03212	1.8
227.13116	0.9
227.16492	4.9
300.99863	0.9
301.19955	0.7
312.92258	0.9
345.09848	0.9
389.08582	2.7
389.21002	7.1
389.26251	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	389.2182
Annotation	Rehmaionoside B
Peak:m/z	Relative Intensity
55.01752	5.1
57.03321	6.5
57.59284	0.6
58.00464	2.9
59.01250	50.1
60.01567	0.8
69.03323	1.4
71.01254	100.0
71.04890	13.2
72.01595	1.5
72.99178	4.5
73.02818	24.3
74.03145	0.6
75.00740	1.4
81.03329	1.0
83.01255	9.2
84.02061	1.0
85.02824	38.8
86.03152	0.6
87.00733	2.7
89.02318	30.2
90.02671	1.0
93.03302	0.5
95.01268	7.5
95.04906	0.6
97.02827	2.8
98.03613	4.5
98.19810	1.0
99.00761	10.2
101.02322	55.2
102.02638	1.0
109.06467	0.8
111.00755	1.1
112.05170	0.5
113.02330	43.1
114.02665	1.1
115.03908	0.6
119.03394	11.1
123.08024	1.5
123.99967	0.4
124.05194	3.5
125.02335	2.4
127.07594	0.7
129.01846	1.3
129.02788	0.4
129.05408	0.5
129.93556	0.5
131.03369	1.2
137.09608	5.5
138.06764	2.2
139.00287	0.5
139.07552	14.2
143.03398	3.9
151.07663	0.5
153.09103	7.7
154.09538	0.7
155.10681	47.7
155.86481	0.5
156.11017	2.4
159.02917	7.9
160.03323	0.6
161.04465	35.1
162.04816	1.7
173.04497	1.1
179.05566	2.5
191.05511	1.7
199.09644	1.8
205.03458	2.4
209.15364	1.4
224.79701	0.5
227.16473	88.7
228.16803	7.6
233.09467	0.5
255.47969	0.5
274.01248	0.5
301.03506	1.6
353.08688	1.0
357.86862	0.5
389.21948	4.8
390.22049	0.9
390.66342	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2181
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
55.01758	7.3
57.03324	5.1
58.00481	1.8
58.42656	0.4
59.01252	38.5
68.99694	0.6
69.03340	1.3
69.47992	1.0
69.48412	3.0
70.90900	0.5
71.01256	100.0
71.21075	0.5
72.01605	1.2
72.99181	5.7
73.02821	34.2
75.00760	1.4
75.03101	0.4
81.03339	0.6
83.01257	13.0
84.02053	0.7
85.02827	44.1
85.99992	0.6
86.03165	1.0
87.00748	3.8
88.01126	0.5
89.02322	17.0
95.01273	7.2
97.02830	2.7
99.00768	14.0
99.01418	0.7
101.02325	77.2
102.02665	1.8
111.00758	0.7
113.02335	47.7
114.02686	1.6
119.03388	6.0
125.02302	2.8
129.01837	2.1
131.03398	0.7
135.04420	0.9
139.07607	0.8
143.03394	6.0
153.09053	0.5
155.10693	4.2
159.02899	12.0
160.41270	0.6
161.00826	2.0
161.04471	55.2
162.04802	1.7
173.04468	4.5
179.03345	0.6
179.05511	0.8
205.03481	0.9
209.11798	0.5
209.15407	0.5
213.81610	0.5
225.37737	0.5
227.16476	9.1
297.17331	0.5
319.00620	0.5
389.21954	10.2
390.22061	1.5
390.77969	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52318	1.0
57.58740	0.9
59.01252	100.0
61.24815	1.1
66.43746	1.0
71.01238	6.3
73.02841	1.2
76.41341	1.2
78.72672	1.0
85.02823	2.5
89.02312	3.1
101.02341	3.0
111.31715	1.1
113.02313	1.8
167.10736	2.6
196.67598	1.2
266.89719	1.0
279.58887	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15041	1.2
54.53996	1.5
59.01254	100.0
71.01248	13.9
73.02821	1.8
74.39054	1.1
85.02815	5.4
89.02322	11.6
99.00773	2.2
101.02334	7.8
101.60853	1.1
113.02347	5.2
115.12060	1.1
115.71356	1.1
119.03415	4.3
161.04451	2.0
167.10718	3.0
200.46631	1.1
205.58429	1.3
229.72916	1.1
262.56052	1.2
345.57840	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1091
Annotation	Sagitol
Peak:m/z	Relative Intensity
55.01743	1.5
56.75052	0.6
57.03323	0.8
59.00993	0.6
59.01257	6.5
60.48297	0.5
64.79164	0.6
67.01762	0.8
68.99673	0.8
69.03320	1.2
69.87562	0.8
69.87970	3.2
71.01256	8.2
72.99183	0.9
73.02826	4.5
75.00762	0.8
79.01772	1.1
83.01273	2.7
85.02823	4.9
87.64312	0.7
89.02322	1.1
95.01284	3.3
97.02839	1.1
99.00774	2.4
101.02339	7.3
107.01255	6.6
110.00007	1.0
111.00761	3.4
113.02324	3.6
123.00769	27.3
124.01593	2.0
125.02338	25.7
126.02676	1.2
127.00243	1.5
135.81572	0.5
136.98705	2.2
137.02338	0.7
139.00255	7.7
140.01083	6.3
141.01843	4.3
151.00276	20.6
153.01849	1.4
157.75398	0.6
163.04015	0.8
168.00562	5.9
169.01343	37.7
170.01691	1.9
170.60886	0.6
182.96065	0.7
211.02428	1.0
253.66753	0.7
313.05756	3.4
329.47787	0.7
332.14841	0.6
342.48615	0.6
389.10892	100.0
390.11255	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	389.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.3
68.40541	0.6
68.71462	0.6
71.01261	2.0
71.56860	0.6
71.57324	1.2
84.96387	0.6
85.02834	1.7
86.65000	0.5
91.05423	1.7
93.03349	2.4
101.02334	0.9
107.04905	4.1
111.04412	2.8
128.05899	0.6
131.74802	0.7
134.03616	1.9
135.04424	100.0
136.04735	3.3
137.02347	1.0
155.03416	2.2
158.46239	0.6
161.02335	1.1
173.04489	8.4
173.32642	0.6
179.01842	1.5
179.03424	30.6
180.03830	1.3
191.05554	17.5
192.05954	0.7
201.67757	0.6
227.09247	1.8
353.08777	17.5
354.09149	1.1
389.06342	1.8
389.10855	0.7
390.21167	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.9
57.03305	0.7
59.01246	4.8
65.00177	0.9
67.01782	0.9
69.03335	0.7
69.47978	0.5
69.59609	2.0
69.60041	1.9
71.01249	6.8
72.99188	0.9
73.02817	2.3
75.00677	0.7
79.01766	1.2
83.01263	1.6
84.81484	0.5
85.02821	4.2
87.00752	0.8
89.02293	0.9
89.62379	0.6
95.01282	2.1
97.02824	1.1
98.20546	0.8
99.00721	0.8
101.02322	6.5
107.01271	4.2
110.00036	0.7
111.00779	3.7
113.02359	2.7
119.25999	0.6
123.00771	21.8
124.01630	0.8
125.02338	22.0
126.02726	0.7
127.00307	1.2
136.98692	2.5
139.00282	6.0
140.01036	5.1
141.01807	3.8
144.53049	0.5
147.04320	0.6
150.99123	1.0
151.00275	13.2
158.41853	0.5
163.03961	0.9
168.00529	3.2
169.01344	22.5
170.01559	0.6
209.04573	0.6
209.61015	0.6
256.27603	0.6
264.34906	0.6
271.04892	0.7
300.99957	0.9
313.05551	1.6
333.44354	0.7
389.10883	100.0
390.11191	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	387.203
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01762	9.4
57.03330	6.7
58.00460	5.0
59.01255	89.4
60.01586	1.0
66.52982	1.2
70.76261	1.1
71.01256	100.0
71.04884	1.9
72.01596	2.5
72.99188	5.5
73.02825	28.4
75.00741	3.0
82.89915	1.0
83.01263	12.8
85.02824	44.5
85.81759	1.0
87.00751	6.9
89.02320	54.4
95.01273	9.2
97.02820	2.8
98.21490	1.1
99.00758	9.3
101.02327	81.5
102.02668	1.7
107.01276	1.8
111.00790	2.1
113.02338	41.4
119.03388	26.3
121.39637	1.0
123.00773	1.2
125.02348	8.3
126.39300	1.4
129.01833	2.1
131.03407	3.7
136.05284	1.3
137.02367	2.3
137.09550	1.4
139.00294	1.5
141.89601	1.2
143.03429	6.6
149.04456	1.9
151.11177	1.9
153.09166	1.7
159.02936	6.9
161.04474	23.0
162.04967	1.3
163.11220	1.5
165.01920	1.5
166.04958	2.6
169.01326	7.7
170.01659	2.7
170.32329	1.2
179.05534	6.9
181.12276	2.2
189.01816	1.8
190.02650	1.4
195.13762	2.6
205.01285	1.1
207.13872	8.6
209.00842	3.6
225.14920	16.7
243.02875	2.2
245.00943	1.8
246.98828	2.1
270.98871	2.1
271.05936	1.7
289.00021	1.9
310.56845	2.4
311.07379	1.7
315.08585	1.4
326.97787	4.6
343.08160	3.4
386.57767	1.6
386.99969	2.5
387.07205	6.8
387.20224	71.7
388.20557	7.9
400.82150	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	387.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	6.5
57.03322	6.5
58.00473	3.3
59.01252	56.0
67.01785	0.5
69.03327	1.1
71.01256	100.0
71.51176	1.0
72.01599	1.4
72.99186	6.7
73.02821	33.5
74.88425	0.5
75.00748	1.8
77.22033	0.4
77.63560	0.5
81.03381	0.5
83.01258	15.5
83.04896	1.0
85.02825	45.6
86.03152	0.7
87.00755	7.0
89.02322	28.3
93.03336	0.7
95.01262	6.5
96.95901	0.9
97.02832	2.1
99.00761	12.1
101.02325	86.7
102.02679	1.9
111.00761	1.4
111.53593	0.4
113.02336	42.9
114.02699	0.8
114.47480	0.5
119.03391	9.9
119.04911	0.9
120.03706	0.5
123.00786	1.0
125.02336	3.9
126.44740	0.5
129.01839	2.1
131.03423	1.2
134.03654	1.6
137.02341	0.6
137.09619	3.3
139.00281	1.3
143.03384	5.9
151.00314	0.6
151.03806	0.6
151.11215	2.2
159.02890	9.4
161.04468	41.6
162.04797	1.3
165.12804	2.1
167.14336	2.1
169.01343	1.8
177.12801	0.6
179.05528	2.5
180.08327	0.4
183.63487	0.4
189.12755	1.5
195.13840	1.8
199.07675	0.5
205.03487	1.7
205.12381	0.6
207.13823	1.4
217.01385	1.4
225.14922	39.4
226.15262	2.4
227.03404	0.8
243.02939	1.4
245.00961	1.3
246.01263	0.5
261.00351	0.8
271.02478	1.8
271.05954	0.7
286.98123	0.5
297.17047	1.2
299.05655	1.0
300.06277	1.1
315.08530	0.6
326.97708	0.7
343.08188	4.3
344.08304	0.7
387.06934	1.0
387.12738	3.0
387.20282	23.8
388.20630	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	387.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51590	0.7
58.77786	0.7
59.01255	18.3
61.54561	0.8
65.03833	1.4
66.94951	0.7
69.03320	2.3
69.99241	3.1
69.99633	1.7
71.02244	0.7
71.04906	0.8
85.06464	1.2
93.06960	5.1
95.05807	0.8
99.08035	4.9
111.08043	1.0
121.10117	1.5
137.05994	14.4
155.07031	5.1
156.18140	0.8
165.05287	3.7
167.10703	100.0
168.11037	5.6
177.05286	4.8
200.20872	0.7
209.04248	1.9
219.06319	0.9
221.04300	1.5
249.11079	3.7
327.15787	2.6
387.17902	5.6
387.24991	1.7
387.29361	3.7
388.25513	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18960	0.6
55.01750	2.9
57.03329	6.1
58.00463	2.6
59.01252	43.9
60.94445	0.6
70.03764	0.6
71.01255	63.6
71.04905	3.1
72.01607	0.8
72.99180	2.6
73.02820	10.4
79.08866	0.6
81.03336	1.1
83.00816	0.8
83.01257	5.4
83.74665	0.6
85.02827	18.1
87.00762	1.8
89.02322	30.0
95.01266	4.2
95.04917	1.7
97.02837	2.7
97.11939	0.6
99.00745	4.9
99.04356	0.8
101.02325	36.5
102.02641	0.8
109.06465	2.2
111.04374	1.7
113.02336	25.0
113.05947	0.9
119.03396	11.0
123.00731	0.8
123.08067	1.2
125.02361	2.7
131.03369	0.8
135.04405	0.6
137.02457	0.9
137.09602	1.9
138.06769	26.4
139.00256	0.8
139.07169	0.9
143.03401	2.4
145.02797	0.6
149.04489	0.7
150.52080	0.7
151.00366	0.7
151.07578	1.1
153.09125	61.6
154.09445	2.0
159.02921	4.4
161.02429	0.7
161.04471	16.6
165.12772	1.1
169.01361	1.3
179.05527	2.0
189.01785	0.8
201.95479	0.7
202.32948	0.7
207.13843	5.7
216.00540	1.0
217.01369	0.8
218.73802	0.6
225.14917	100.0
226.15292	7.2
243.02805	0.9
245.00848	1.3
254.00775	0.7
261.00293	0.9
263.74664	0.6
264.68423	0.7
270.98862	0.7
271.02518	0.9
273.00388	1.1
299.98944	4.0
300.06433	0.8
300.99796	2.5
308.14774	0.8
316.99203	1.1
343.08151	1.1
344.04184	0.7
370.01950	1.1
387.12823	3.6
387.20331	6.9
388.03128	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.13
Annotation	N5-Dinitrophenyl-L-ornithine methyl ester
Peak:m/z	Relative Intensity
54.49223	0.2
55.01748	0.7
55.82429	0.2
57.03319	0.4
58.78599	0.2
59.01254	3.6
65.00185	0.3
67.01759	1.0
67.04398	0.2
68.99703	0.3
69.03336	0.4
69.49059	0.8
69.49482	1.1
71.01257	4.9
72.99170	1.0
73.02820	1.3
77.84313	0.2
79.01759	0.9
81.03333	0.2
83.01257	1.0
85.02831	3.1
85.99949	0.3
87.00765	0.4
89.02315	1.5
92.11546	0.2
95.01270	1.8
96.95907	0.2
97.02824	0.7
98.20525	0.4
99.00789	0.5
101.02328	3.8
107.01289	2.3
109.99998	0.5
110.43723	0.2
111.00771	2.4
113.02348	1.9
119.03410	0.6
123.00776	11.9
124.01649	1.1
125.02350	10.2
126.02667	0.3
127.00278	0.9
136.98705	1.9
139.00273	4.2
140.01086	3.4
141.01825	2.2
151.00279	9.7
151.03914	0.3
153.01843	0.7
154.99760	0.2
161.04436	0.6
163.03935	0.3
165.01889	0.3
168.00571	5.2
169.01341	15.1
170.01695	0.5
181.04962	0.4
191.03358	0.3
191.16231	0.2
209.04350	0.2
211.02432	2.7
237.50337	0.2
271.02090	0.3
271.04617	1.4
313.05692	0.8
317.08957	0.3
343.08218	0.4
387.12964	100.0
388.13309	10.1
388.18396	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1295
Annotation	N5-Dinitrophenyl-L-ornithine methyl ester
Peak:m/z	Relative Intensity
55.01750	0.9
57.03328	0.4
58.00463	0.5
58.58901	0.3
59.01251	5.2
59.63105	0.3
65.00194	0.4
67.01755	1.0
68.99688	0.4
69.03336	0.7
71.01251	5.9
72.99189	0.8
73.02826	1.9
78.32858	0.3
79.01773	1.0
81.03352	0.5
83.01246	2.1
84.18847	0.3
85.02829	3.4
85.03302	0.4
87.00771	0.7
89.02319	0.9
95.01263	2.4
97.02831	0.9
97.45790	0.3
99.00736	1.4
101.02324	6.1
107.01261	3.3
110.05667	0.4
111.00761	3.6
113.02332	1.8
119.03435	0.4
123.00770	19.3
124.01582	1.0
125.02333	15.7
126.02683	0.7
127.00274	1.2
136.98695	2.1
138.99255	0.4
139.00272	6.2
140.01067	5.9
141.01854	3.5
144.98494	0.3
151.00272	14.2
151.03943	0.5
152.00630	0.4
153.01793	0.7
154.99710	0.5
156.30011	0.3
161.04491	0.4
163.03917	0.7
165.01680	0.3
168.00542	4.9
168.75778	0.3
169.01341	20.4
170.01660	0.9
179.03381	0.6
181.04909	0.4
211.02473	0.9
253.03639	0.5
313.05734	1.0
343.08096	0.5
387.12952	100.0
388.08524	0.7
388.13321	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	387.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30450	2.2
58.44950	2.0
59.01257	20.7
62.59611	2.0
65.18804	1.7
69.49630	12.7
69.50045	4.5
71.01260	11.1
73.02817	3.8
83.01275	2.6
85.02803	4.7
89.02316	8.4
93.03334	3.7
94.74586	1.7
95.01266	3.0
95.04901	2.4
96.95868	2.2
101.02319	4.0
109.02821	3.2
113.02308	4.4
119.03459	2.2
123.00758	4.1
125.02336	8.1
132.88553	2.0
133.02815	4.4
135.04413	2.5
136.01549	4.9
137.02328	7.4
145.02872	3.6
147.04402	3.4
151.03932	5.3
161.02347	10.5
161.04477	3.3
162.03114	5.5
163.00273	5.4
163.03883	3.6
165.01900	4.6
165.05498	6.9
166.02631	1.9
171.00845	4.0
173.02354	4.8
174.03136	3.3
175.03880	2.8
176.01007	6.3
177.01859	10.8
177.05383	4.6
179.03432	2.2
181.04904	4.7
184.05249	2.5
187.00284	4.9
189.01854	7.3
190.02628	7.0
191.03441	11.4
192.85025	2.1
193.01302	2.6
197.09692	3.6
198.03239	2.4
199.00233	3.3
199.03973	3.0
200.04846	3.0
202.02682	5.0
203.03482	6.5
203.14130	2.0
204.04042	2.6
206.99289	8.1
208.00146	2.2
211.03912	2.8
212.04747	2.4
213.01755	2.4
213.05449	3.0
213.08896	2.1
214.02654	11.5
214.99828	2.9
215.03340	4.0
216.00580	2.4
216.04198	2.7
217.01337	5.5
218.02100	3.3
219.02872	7.1
223.07576	3.1
225.09178	3.3
226.02496	3.0
226.99835	3.9
227.03474	6.9
227.07111	2.4
227.10657	2.4
228.04187	3.4
229.01398	2.8
229.05038	4.1
230.02113	5.6
233.00980	2.5
239.03526	3.1
240.04251	4.0
241.04973	7.5
242.02158	5.8
242.99348	10.1
243.02916	16.3
243.06606	5.6
243.99992	2.7
244.03342	3.3
245.00908	9.1
246.01720	3.4
246.98679	3.7
247.02457	2.8
252.04330	3.4
253.05173	3.5
253.08656	5.0
255.02888	4.6
255.06679	4.4
256.03690	6.9
258.01566	2.4
259.02444	4.8
261.00290	17.1
265.05161	5.2
266.05728	2.8
267.03107	3.4
269.00906	3.0
269.04581	9.2
269.08163	17.1
270.05313	3.1
270.98895	13.0
271.02414	4.8
271.06067	8.0
271.09790	11.4
272.03427	3.0
279.06424	3.4
281.04578	5.6
281.08176	14.9
282.05136	3.7
283.06110	4.1
285.03897	2.6
290.00537	5.7
291.01581	2.3
296.06772	4.2
297.07663	23.5
298.98300	12.4
299.05734	7.7
299.09210	84.1
299.12680	4.1
299.99005	9.1
300.06418	2.5
300.09604	8.0
315.08771	9.9
323.05722	2.7
325.07132	26.6
326.97778	31.1
331.08105	3.1
341.06586	5.6
343.04492	5.6
343.08191	40.5
344.08701	3.0
357.09903	2.5
359.00385	8.1
369.06226	4.8
386.99829	27.6
387.07166	100.0
387.12775	6.3
387.19693	2.8
387.24121	4.8
388.00232	3.3
388.07797	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2747
Annotation	HU-211
Peak:m/z	Relative Intensity
51.53471	0.3
54.54002	0.4
59.01251	0.4
82.32814	0.3
83.55583	0.3
86.38802	0.4
86.62855	0.3
95.07882	0.3
97.06441	0.4
102.97104	0.3
105.77394	0.3
111.80470	0.3
137.30588	0.3
193.04616	0.3
225.11333	0.3
362.49579	0.4
385.27487	100.0
386.27838	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	387.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71380	3.0
57.03320	2.8
59.01247	13.8
65.00206	3.6
67.01731	3.4
69.44997	2.7
71.01254	8.8
73.02830	2.8
76.85950	2.9
85.02811	4.3
89.02317	5.3
93.03323	4.0
95.01260	7.6
95.04885	3.3
98.19748	7.2
101.02314	7.4
105.03352	5.8
109.02832	8.7
112.57736	2.6
113.02319	5.9
117.03315	3.7
119.04829	3.0
121.02817	8.7
123.00779	18.7
123.04394	3.4
124.01571	5.1
125.02345	14.9
131.57819	2.7
133.02852	10.3
135.04471	3.1
136.01591	4.0
137.02338	24.7
139.00333	5.0
139.03911	3.4
145.02850	7.6
147.00771	4.1
147.04466	6.5
149.02425	6.7
149.56087	3.2
151.00288	12.2
151.03925	6.3
152.01147	5.7
161.02362	35.5
162.03163	5.5
163.00256	20.3
163.03931	10.6
164.01080	6.6
165.01823	4.1
166.02602	5.8
167.03452	5.0
168.00520	3.1
169.01358	9.2
170.01636	2.5
173.02330	9.6
174.03114	6.2
175.00215	3.1
175.03917	9.8
176.01022	6.4
177.01831	10.4
177.05530	3.0
178.02744	3.3
178.99825	2.8
179.03477	3.3
181.04941	4.6
184.05197	3.2
184.38033	3.1
189.01897	23.5
190.02628	16.0
191.03444	19.7
198.03108	4.0
200.04692	4.4
201.01770	3.6
202.02673	8.4
202.99814	10.7
203.03456	6.8
204.00540	3.7
205.01363	3.9
206.99300	30.1
207.99977	10.3
216.04271	3.6
217.01337	7.6
218.02187	20.7
219.02994	17.4
225.09232	4.3
227.03346	8.3
229.01338	12.6
230.02078	4.5
230.60471	3.9
233.00697	6.2
239.03488	4.4
240.04181	5.5
241.04962	4.4
241.08646	4.0
242.02019	3.9
243.02966	9.0
243.06653	3.4
245.00832	29.6
246.01546	14.3
246.98804	21.0
247.02348	10.9
253.08755	3.6
254.05644	4.4
255.06383	4.2
256.03653	8.1
261.00397	63.5
262.00928	4.9
265.05020	4.3
267.03015	4.0
268.03842	5.5
268.06815	2.9
269.00909	13.3
269.08267	12.1
271.02417	7.1
271.05710	5.9
271.09750	12.8
274.01196	10.4
279.06534	5.7
281.04474	9.4
281.07819	6.3
282.05484	5.1
287.09290	5.8
290.00729	17.3
291.01318	8.6
295.02545	4.4
297.00446	6.1
297.04361	5.2
297.07672	59.6
298.08130	5.8
299.05585	14.7
299.09283	11.8
300.06146	4.9
315.08820	14.7
323.05316	3.8
325.07172	45.7
326.07480	3.3
326.97824	7.7
341.06647	19.9
343.04529	22.2
343.08215	86.0
344.08481	7.4
356.79599	3.1
357.09708	4.8
359.07559	5.4
359.11383	7.9
369.06149	40.0
372.12045	6.1
387.07205	100.0
387.11087	35.5
387.23950	6.3
388.07382	10.9
388.11642	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	385.1869
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
55.01761	5.8
57.03322	17.0
58.00462	4.1
59.01252	76.6
60.90492	0.9
62.60857	0.9
67.01775	2.5
68.99688	1.1
69.03337	1.9
69.61982	7.7
71.01254	100.0
72.01579	1.5
72.99182	14.5
73.02820	11.1
75.00747	34.2
81.03333	1.3
81.14663	0.9
83.01257	7.2
83.04907	1.1
85.02824	45.9
87.00752	12.9
87.04394	2.7
89.02320	48.5
95.01264	8.7
97.02827	3.0
98.20513	1.6
99.00758	6.1
101.02324	35.1
105.01817	23.1
107.01252	4.0
109.06480	1.3
111.00788	2.4
113.02328	36.6
114.02690	1.1
115.00271	1.8
116.01054	1.4
119.03388	18.2
121.02854	1.0
121.06438	1.3
123.00769	10.1
123.08045	2.4
124.01517	1.2
125.02338	32.6
127.00349	1.1
129.01848	9.0
131.03421	1.5
135.02838	1.3
135.11703	2.7
136.98689	1.4
137.06003	2.1
137.09631	5.5
139.00266	3.4
140.01076	2.2
141.01834	1.4
143.03416	3.5
149.04446	1.5
149.09659	2.1
151.00287	1.7
151.07539	2.3
151.11220	3.7
153.09116	14.4
154.09453	1.0
155.07027	1.4
159.02824	1.9
161.04485	4.6
161.09616	3.5
163.00119	0.9
165.12749	2.1
166.99734	3.1
168.00549	3.8
169.01334	31.5
170.01646	1.2
175.02486	4.9
177.12721	2.5
179.05582	3.6
179.10693	12.5
180.11095	2.5
187.11226	2.0
190.09958	1.2
203.14293	1.2
205.12263	14.1
209.15440	18.2
210.15733	1.4
215.14374	2.4
223.09715	5.5
223.13367	4.3
232.03003	3.3
233.15450	5.8
247.91141	1.1
251.16464	6.9
252.16821	1.1
265.10764	2.7
267.16196	1.9
269.07944	1.1
276.42795	1.0
300.99808	1.7
301.06543	1.8
310.07004	14.0
313.05685	2.3
325.12778	2.0
341.06830	1.5
358.72391	1.1
367.17572	2.2
385.05826	3.5
385.18674	75.9
386.07486	10.5
386.18976	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	385.1869
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.19624	1.4
57.03326	3.7
58.00453	5.3
59.01252	98.2
71.01252	67.7
71.57663	2.4
72.99181	8.3
73.02827	1.9
75.00719	1.7
77.70522	1.4
83.01259	28.6
85.02831	14.3
85.88865	1.4
87.00727	2.7
89.02317	75.0
91.05016	1.6
95.01255	6.5
96.95904	1.6
101.02332	41.6
107.01263	3.1
111.00754	1.7
113.02333	27.2
119.03391	31.4
123.00758	4.7
125.02350	14.0
131.03403	3.6
139.00276	1.7
140.01050	3.2
143.03403	2.3
149.04478	3.1
151.00269	2.0
160.37225	1.5
161.04465	2.5
163.11172	4.7
165.09154	3.9
168.00519	3.1
169.01328	18.4
179.05537	3.8
181.01326	1.7
187.00461	1.6
205.12283	100.0
206.12578	7.0
222.37793	1.6
223.13312	1.8
256.03705	2.0
307.08292	3.1
310.06949	6.0
340.02115	2.0
347.11868	1.6
385.05545	6.3
385.13849	2.2
385.18564	3.8
386.07465	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11951	0.7
59.01236	1.8
61.74318	0.8
70.02177	1.4
70.02577	2.7
72.52797	0.7
73.02829	0.8
89.02289	0.7
91.03889	1.5
109.37920	0.7
121.70309	1.0
131.08128	1.2
143.88660	0.8
167.14291	2.2
173.09343	0.9
183.13786	1.2
195.13826	12.9
211.13101	0.8
213.15021	1.2
242.15155	0.7
293.21234	8.8
311.22275	100.0
312.22610	9.5
367.84869	0.7
385.26315	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06951	1.3
56.36394	1.3
58.70022	1.1
59.01251	38.5
61.25983	1.1
65.03847	3.7
72.54967	1.6
73.99303	1.4
74.61801	1.6
93.06970	9.2
97.19133	1.3
99.00549	4.4
121.02864	3.1
121.10121	71.4
122.10439	3.3
137.05986	23.3
147.08061	1.7
155.07045	28.9
156.07423	1.6
162.95999	1.7
165.05278	13.1
165.09128	100.0
166.09433	3.7
177.05246	16.2
209.04303	8.8
215.03224	5.2
221.04356	5.4
247.09558	3.1
311.86545	1.5
325.14166	5.3
385.16324	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	385.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55133	0.4
58.57289	0.4
59.01251	16.7
65.03835	1.0
93.06956	3.7
98.19822	0.7
121.10117	26.8
122.10440	1.2
136.34187	0.4
137.05986	12.1
137.09654	0.5
138.06311	0.5
148.48509	0.4
153.61169	0.4
155.07033	4.8
165.09125	100.0
166.09465	5.2
168.30786	0.4
173.85992	0.4
177.05280	1.5
199.16119	0.5
209.04337	0.8
219.06407	1.0
221.04256	0.5
247.09517	3.8
325.14209	1.4
385.16266	6.5
385.23920	1.0
385.27850	0.5
386.16208	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48983	0.5
53.26479	0.4
55.01755	3.0
57.03325	5.3
58.00465	3.5
59.01250	65.1
60.01605	0.7
68.99683	0.8
69.03323	1.0
69.67782	3.0
71.01254	85.3
71.47676	0.5
72.01604	0.9
72.99176	5.5
73.02818	11.8
75.00753	1.4
81.03362	0.6
83.01260	6.5
83.04888	1.2
84.02076	0.6
85.02821	25.8
86.00589	0.5
86.03139	0.7
87.00741	4.6
89.02316	38.5
93.03326	0.6
95.01257	6.7
95.04910	2.0
97.02828	6.5
97.06474	0.6
99.00760	9.1
101.02324	36.2
102.02661	0.5
105.06989	1.5
107.04913	0.9
108.05708	2.4
109.02837	1.6
109.06483	2.3
109.10130	0.5
110.65227	0.6
111.00789	1.1
111.04408	1.4
111.08055	0.8
113.02330	28.0
113.05965	3.7
114.02677	0.9
119.03388	12.2
121.06503	1.4
122.03630	2.9
123.00738	1.0
123.04452	0.7
123.08054	5.8
123.36585	0.5
124.13899	0.6
125.02357	2.0
125.05991	3.4
127.00265	38.9
128.00572	1.0
129.01837	1.4
131.03409	1.0
135.08080	1.2
136.05199	5.2
137.05957	1.7
137.09641	0.7
138.06764	25.1
139.00270	1.4
139.07571	9.7
143.03430	2.3
147.08047	1.4
149.02299	0.8
149.04445	0.7
149.05980	1.6
151.07550	25.5
151.74480	0.6
152.04738	2.8
152.08342	45.6
153.09122	100.0
153.30811	0.5
154.09454	5.3
157.01367	2.6
159.02934	3.3
161.02397	1.0
161.04469	14.7
161.05807	0.8
161.09605	0.9
163.11188	4.3
164.04697	0.9
165.09106	4.1
167.07057	2.8
167.97246	0.4
168.16048	0.5
169.01355	0.9
175.07574	0.8
177.12746	0.6
179.05478	2.2
179.10631	0.7
187.11182	1.2
189.09178	1.7
190.02629	1.1
190.09901	1.8
203.21130	0.5
205.05067	0.7
205.12282	41.0
206.12595	3.3
223.06117	1.4
223.13330	13.1
224.13641	0.8
227.16447	0.7
253.40317	0.7
265.07275	0.6
325.09253	0.8
385.11029	1.2
385.15158	0.8
385.18863	7.2
386.11777	0.7
386.19006	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84520	0.3
53.54605	0.4
54.76480	0.3
59.01244	0.8
62.87952	0.3
65.00198	0.6
66.68626	0.3
71.06596	1.0
85.74729	0.4
100.33698	0.4
122.09490	0.4
140.01035	0.4
187.95764	0.4
198.03174	0.4
211.03909	0.5
212.04698	0.6
223.03990	0.6
223.07533	0.5
224.04694	1.0
225.09148	2.4
236.04555	0.6
237.01927	0.6
237.05612	0.5
238.06248	0.8
240.04250	1.2
241.08658	2.2
242.09062	0.4
251.03574	2.2
252.04269	1.7
253.08627	2.8
263.03452	0.6
263.07397	0.4
264.07645	0.4
265.05072	0.8
266.05774	0.6
267.02936	0.6
269.08188	3.5
278.02271	1.1
279.02991	33.6
279.06262	1.3
280.03519	5.4
280.07010	0.8
281.08209	6.0
283.02377	3.7
293.04520	3.3
294.05219	1.9
295.02780	1.8
295.05615	0.6
297.07526	2.2
307.06116	2.6
308.06879	1.1
309.07675	30.3
310.07983	3.6
311.05603	0.7
312.06348	1.0
323.02017	0.6
323.05545	0.8
324.06290	0.5
325.07199	4.3
326.07620	0.5
353.06650	100.0
354.06958	11.0
385.09375	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	385.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53708	0.5
52.04345	0.5
59.01242	1.9
69.28782	6.0
71.01255	3.3
73.02831	1.1
75.84794	0.6
83.01318	0.5
85.02815	0.8
91.48714	0.5
96.95899	0.6
98.19753	0.9
101.02325	1.4
105.60117	0.5
113.02386	0.7
121.02831	0.8
123.00748	0.6
127.02098	0.6
134.03749	0.5
137.02397	1.2
161.02287	0.6
161.04482	0.7
166.64656	0.5
169.01355	0.9
169.12233	0.7
173.02380	0.7
174.03253	0.8
176.01103	0.8
177.01851	1.8
177.04175	0.6
184.05197	0.7
189.01886	1.0
190.02693	2.9
193.01323	4.3
193.06552	0.5
195.08049	0.8
196.05211	0.8
198.03171	0.7
200.01047	0.9
201.01886	0.8
202.02687	1.6
203.03496	0.9
205.01250	0.8
208.05298	0.6
209.06133	0.5
211.03949	1.6
211.07642	0.5
214.02676	1.2
218.02129	1.3
221.00854	8.1
222.01398	0.7
223.07634	1.0
224.04730	0.9
225.05464	0.9
226.02565	0.8
227.03528	1.4
228.00624	1.5
228.04173	0.9
229.01469	1.2
230.02148	1.5
237.05553	0.5
239.03534	0.9
239.07094	0.9
241.05051	1.1
241.08566	1.4
242.02286	1.1
243.02870	0.9
245.00890	1.0
246.01790	0.9
251.03494	0.8
251.07196	1.2
253.01109	0.7
253.05075	1.5
253.08669	0.6
254.05750	0.6
255.02747	0.8
256.03775	1.6
257.00912	1.4
258.01620	3.6
259.02518	1.2
264.04242	0.9
267.03290	0.8
267.06622	2.0
268.07266	0.6
269.00830	0.7
269.08179	2.0
273.00531	0.9
274.01196	17.4
275.01544	1.3
277.05029	0.7
279.03043	1.9
279.06592	0.8
280.03735	1.7
281.04507	1.2
282.01816	1.1
282.05118	0.8
283.02502	3.4
283.05167	0.5
283.77057	0.6
284.03195	3.0
285.00327	1.4
285.07672	1.5
286.01224	1.2
287.01962	1.0
295.02963	1.0
295.06042	6.0
296.06439	0.7
297.04266	1.0
297.07703	3.2
298.01199	0.6
300.02756	1.8
307.02689	0.6
308.03287	1.8
309.03915	1.5
312.02850	3.1
312.05887	0.5
313.03687	0.6
313.07236	2.0
323.05548	5.5
324.06265	2.3
325.03485	1.1
341.06647	100.0
341.26794	1.0
342.07068	9.2
385.05695	7.7
385.21286	1.0
385.25995	8.3
386.05902	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05180	10.9
85.02831	7.9
123.31477	4.1
126.58614	3.8
137.75687	4.3
191.05562	100.0
193.62997	4.2
231.18144	4.0
358.49783	4.3
403.83194	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	6.0
71.01248	3.7
71.56705	4.1
85.02812	7.4
89.02281	3.4
93.03343	2.5
113.02225	3.2
113.97443	2.5
191.05545	100.0
209.04645	2.7
222.45461	2.8
255.93405	2.5
327.99799	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	383.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54345	10.6
59.01260	13.6
70.79710	13.1
70.80041	29.5
72.20341	11.0
72.99191	19.1
73.02843	12.9
74.41302	10.7
87.00736	23.5
125.02342	14.7
161.42299	14.2
191.05536	100.0
198.90401	12.3
301.94977	11.4
356.92227	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	383.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80865	1.2
54.99385	1.3
57.03326	3.4
59.01253	100.0
71.01258	21.0
71.04891	1.7
71.57806	1.8
71.58192	1.5
83.04862	1.4
87.00764	2.9
89.02312	2.0
96.95893	1.2
101.02335	1.7
107.65428	1.4
109.02857	1.3
112.87390	1.4
115.00257	15.4
121.02879	1.6
125.02335	6.0
133.01346	5.9
135.04425	3.3
137.02222	1.7
151.00320	3.3
153.27933	1.2
161.09612	2.1
161.13260	3.8
169.01385	3.8
176.04684	1.8
177.01759	1.4
205.01364	1.5
207.10202	2.3
223.13354	79.4
224.13655	7.1
247.17030	1.9
249.18623	2.6
267.12332	28.6
268.12738	2.0
300.02719	1.5
301.00156	2.0
301.03470	3.9
321.20685	4.3
383.03949	2.5
383.20755	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	383.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.9
59.01249	8.0
69.92355	3.8
71.01241	2.6
79.19379	0.8
83.04884	1.1
83.65686	1.0
89.02322	1.7
91.03884	1.9
97.06449	2.2
101.02349	1.0
115.07545	2.1
125.02361	0.9
134.00276	1.1
153.12686	0.9
165.12764	2.1
167.14374	1.9
181.12260	3.1
183.13747	2.0
185.16998	1.0
193.12267	1.2
195.13829	2.5
211.13362	2.7
221.15335	2.2
229.14432	1.9
233.32439	1.2
247.20671	3.2
263.20233	0.9
273.18756	2.5
291.19647	37.6
292.19888	3.1
309.20703	100.0
310.21100	8.3
341.10681	1.1
355.08273	1.5
383.07629	5.4
383.24402	5.4
384.08377	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
78.95773	1.6
79.61261	1.6
96.95866	1.9
148.91383	1.5
174.99187	2.6
217.00224	12.5
249.04181	1.7
307.19092	1.5
365.02832	8.7
366.03461	2.3
381.06158	18.9
382.06467	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	381.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68745	6.0
59.01254	100.0
61.06098	6.6
71.56520	14.3
71.56873	7.0
76.34562	6.5
89.64108	6.1
96.95877	11.8
125.20211	9.3
142.54778	7.0
191.75439	6.3
209.11736	17.9
217.00137	39.2
307.19156	20.6
319.22537	8.1
337.23703	34.1
351.78909	7.5
381.06055	18.4
381.15460	8.1
381.22705	52.9
381.26779	9.7
382.23062	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	383.0771
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
52.81798	1.3
56.82429	1.3
59.01253	5.6
59.98850	1.4
71.56799	1.7
78.52869	1.2
83.39015	1.2
89.02311	2.9
94.61143	1.1
97.58482	1.1
100.95432	1.1
101.02326	1.7
102.49062	1.1
121.02843	100.0
122.03217	3.3
128.99300	1.3
147.04396	1.7
149.02377	2.0
164.45641	1.3
173.02351	1.7
181.06488	4.0
183.01112	1.4
191.03453	7.8
194.93123	1.2
197.02797	1.4
225.05551	6.3
295.06033	10.9
295.75681	1.4
311.09125	11.9
313.07196	21.5
314.07449	1.8
339.08719	14.6
382.99969	1.7
383.07700	26.2
383.22824	2.2
384.08115	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	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	4.0
57.03342	3.7
58.00460	2.2
59.00957	1.4
59.01250	27.2
63.22764	0.8
69.03313	1.5
69.53069	6.5
69.53410	0.8
71.01255	41.6
72.99170	2.6
73.02822	22.7
75.00737	1.6
81.03316	0.9
83.01260	11.2
85.02824	25.7
85.99950	1.4
87.00746	3.8
89.02321	9.3
90.11369	0.7
95.01275	3.9
95.08446	0.7
96.95873	1.0
97.02831	2.6
98.19859	1.7
99.00757	12.1
101.02326	54.8
102.02668	1.0
111.00780	1.5
113.02332	17.5
115.03872	1.6
119.03416	1.1
123.00777	1.3
125.02372	4.6
127.00247	2.8
129.01837	1.2
131.03380	3.1
133.15514	0.8
143.03410	2.1
145.02831	0.8
149.04439	1.2
157.08623	0.8
158.53442	0.7
159.02869	2.9
161.04477	20.7
169.01372	1.0
184.62791	0.8
205.03458	1.4
220.31155	0.8
233.06630	2.2
249.13408	100.0
250.13768	5.1
305.60480	0.8
309.69403	0.8
329.09875	0.8
381.17682	70.9
382.18033	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	381.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46032	0.4
56.50193	0.4
59.01255	2.2
69.03316	0.7
69.27476	2.0
69.27905	2.0
73.02807	0.5
83.04922	0.4
88.99915	0.4
97.99978	39.3
99.00256	0.8
99.00829	0.5
108.75935	0.3
123.08064	0.5
126.03311	0.5
134.07298	0.7
135.08061	1.4
144.04059	0.4
217.00273	0.4
243.17426	1.9
247.20558	0.5
259.20670	35.0
260.20926	3.9
265.21716	1.4
269.00568	0.4
273.22235	1.1
275.23782	11.2
276.24121	0.9
293.24823	5.4
294.25116	0.9
301.21924	0.6
319.22787	46.8
320.23044	5.2
337.23761	4.0
338.23965	0.6
345.20682	1.6
363.21790	19.4
364.22208	2.3
381.22818	100.0
382.23160	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	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94854	0.2
54.98256	0.3
55.01757	5.0
57.03320	3.7
58.00467	1.8
59.01249	31.8
60.01589	0.3
64.09740	0.3
69.03328	1.0
69.96932	0.5
69.97329	0.7
71.01252	43.7
71.04886	0.8
72.01592	0.5
72.99184	3.8
73.02818	21.3
73.06458	0.7
74.03151	0.4
75.00741	0.9
81.03301	0.6
83.01259	17.0
83.04878	0.3
84.01607	0.4
84.02054	0.3
85.02824	26.8
85.99956	1.4
86.03162	0.5
87.00728	2.2
87.04395	0.4
89.02313	5.3
95.01282	3.1
97.02814	1.7
99.00762	7.8
101.02322	55.8
102.02644	1.4
103.03885	1.6
111.00788	1.4
113.02328	18.0
114.02686	0.5
119.03391	1.2
125.02345	2.6
127.03905	0.3
129.01828	1.2
131.03406	0.3
139.00298	0.3
141.01813	0.3
143.03415	2.2
143.07106	0.3
145.05002	0.9
159.02910	3.5
160.03290	0.3
161.04466	17.7
162.04745	0.3
163.06027	0.7
173.08174	0.3
185.05630	0.4
205.03419	1.6
217.10760	0.3
229.07137	0.7
235.11824	100.0
236.12161	5.3
247.08110	0.9
249.04028	0.3
279.10883	1.1
341.72415	0.3
363.25488	0.3
381.17657	18.0
382.10873	0.5
382.17947	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03323	0.9
55.01760	5.6
57.03329	5.4
58.00465	1.4
59.01250	42.0
60.68205	1.0
63.49863	0.9
69.03319	2.0
69.61906	6.7
71.01252	59.8
72.07256	1.1
72.99170	3.2
73.02818	32.9
75.00738	3.0
76.07635	1.1
83.01256	15.3
85.02821	31.3
85.99965	1.5
87.00739	4.6
89.02322	14.1
95.01259	4.0
97.02807	3.2
99.00766	12.8
101.02322	65.2
102.02617	1.4
107.33624	1.0
111.00724	1.2
113.02323	20.6
115.03906	1.9
119.03439	1.0
125.02333	3.9
127.00276	4.6
129.01846	2.0
131.03395	2.2
141.95004	1.1
143.03413	2.5
145.02843	1.2
149.04451	1.5
159.02901	4.5
161.03203	1.6
161.04460	21.5
225.29903	1.1
233.06618	2.0
233.37431	1.0
249.13406	100.0
250.13710	5.7
255.61298	1.0
288.14999	1.1
381.17645	73.6
382.18021	7.8
388.68591	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	4.1
57.03320	6.8
58.00464	2.1
58.07835	1.6
59.01254	34.4
68.99714	1.9
69.68800	3.6
69.69226	7.1
71.01257	57.6
72.99171	2.9
73.02821	31.9
75.00745	2.1
83.01268	14.2
85.02821	28.9
87.00768	3.4
89.02314	9.4
91.47883	1.5
94.15073	1.7
95.01270	4.0
97.02823	3.3
97.13853	1.5
99.00760	13.7
101.02324	71.1
101.05959	11.9
111.00757	2.6
113.02321	21.1
115.03948	1.7
115.07549	10.9
125.02345	5.4
125.32109	1.5
129.09015	1.8
131.03442	2.7
132.18578	1.7
143.03371	2.4
159.02890	5.7
161.04469	18.8
163.00352	1.9
183.03133	1.6
195.13831	6.4
233.06583	2.2
239.12897	11.2
249.13408	100.0
249.23555	1.7
250.13745	5.3
381.05118	2.1
381.17682	50.2
382.18198	3.3
401.67010	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2488
Annotation	Cordobic acid 18-acetate
Peak:m/z	Relative Intensity
57.03325	5.9
59.01252	3.9
59.98389	0.5
69.03305	2.0
71.04905	2.2
80.02554	0.5
83.04867	0.5
83.84832	0.4
87.30386	0.4
95.01254	1.0
96.95871	1.0
97.02789	1.0
112.05177	0.5
113.02340	2.3
115.03902	2.6
137.05998	0.6
158.60600	0.4
179.26537	0.4
243.17552	0.5
257.19040	2.1
259.20642	5.9
260.21069	0.6
263.20230	2.0
273.22235	18.1
274.22540	1.8
275.23917	2.8
287.20096	0.7
289.25281	0.7
291.23718	0.5
291.26901	2.3
301.21725	3.6
302.22488	1.3
305.17731	0.5
305.21240	1.2
317.24841	50.2
318.25204	6.0
319.22821	1.4
335.22034	1.1
335.25900	13.8
336.22656	0.5
336.26270	1.4
361.23923	3.9
362.23947	0.9
379.24908	100.0
380.20450	0.7
380.25229	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	379.2491
Annotation	Cordobic acid 18-acetate
Peak:m/z	Relative Intensity
57.03310	3.3
59.00948	6.1
59.01252	100.0
60.70674	3.0
60.76049	2.8
69.38752	2.6
72.99194	3.5
103.59219	3.0
124.60278	2.8
140.39838	2.7
229.42943	3.2
317.24921	9.6
319.22791	3.4
325.85062	3.1
335.22278	4.9
335.25952	10.7
379.21454	4.7
379.24963	61.2
380.25287	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	381.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.72293	10.4
62.40554	12.5
65.00196	12.8
69.03323	12.2
70.32445	38.6
95.01266	15.9
111.00787	43.9
117.03384	19.2
123.00755	16.6
125.02381	12.3
139.00282	23.8
141.01862	23.4
145.02818	18.6
151.00285	36.7
151.03870	11.1
153.01888	30.9
161.02309	20.5
163.00270	13.6
163.03938	17.6
169.01326	37.3
171.02876	77.7
173.02403	25.5
175.03835	18.2
181.01332	39.5
183.02850	100.0
189.01863	38.6
190.02646	30.8
193.01268	13.6
193.98540	25.2
194.99329	12.9
201.01854	32.4
203.03462	11.6
207.02942	11.8
217.01384	46.2
218.02026	17.8
223.02299	15.1
229.01305	23.1
231.03021	12.8
233.04530	23.9
245.00858	35.5
246.01727	27.1
249.04005	67.2
261.04047	45.1
273.00473	60.1
277.03558	39.3
305.03015	94.4
309.05984	15.2
311.66684	12.2
316.99332	22.5
337.05658	48.0
348.15787	11.1
390.23413	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	379.1396
Annotation	Gibberellin A89
Peak:m/z	Relative Intensity
51.66785	1.0
59.01243	4.3
61.30221	1.2
65.00190	1.6
67.01768	1.6
68.99680	2.0
69.57616	2.4
69.58029	6.6
71.01250	4.7
72.99184	2.2
83.01273	1.9
83.04904	3.5
90.30298	1.0
95.01271	3.3
96.95866	1.3
98.20601	2.4
99.00734	1.5
101.05924	1.8
106.00468	1.3
107.01273	1.7
109.99986	3.5
111.00762	17.6
118.61633	1.2
123.00777	13.7
124.01560	14.3
125.02349	10.0
127.00262	6.3
136.98718	10.0
139.00270	22.2
140.01057	32.4
146.03690	1.9
151.00269	10.9
154.99757	1.7
155.07208	1.3
162.03117	4.2
163.11165	1.1
165.12672	1.8
166.99760	7.8
168.00552	60.6
169.01315	7.6
206.02129	1.3
209.11777	20.8
210.12097	1.7
227.12807	7.6
271.13162	1.3
273.11429	1.5
299.13022	3.9
317.10434	1.7
317.13766	9.3
335.11392	7.4
335.14990	2.6
335.22263	1.5
336.11758	1.3
361.13107	3.1
362.63269	1.3
379.13968	100.0
379.21432	3.5
380.14276	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	379.1612
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01759	2.6
57.03334	1.8
58.00475	4.9
58.61386	1.0
59.01254	85.8
61.43491	1.0
63.53900	0.8
68.11206	1.0
71.01256	70.6
71.36924	2.0
72.01600	1.2
72.91499	0.8
72.99195	5.0
73.02827	17.1
75.00753	2.0
76.62053	0.9
83.01277	3.2
85.02829	11.4
87.00755	3.8
89.02319	100.0
90.02676	1.6
95.01289	2.3
96.95920	0.9
97.02833	1.7
99.00101	0.9
99.00759	21.4
101.02322	44.7
113.02332	20.7
115.03899	2.2
119.03398	19.6
121.29327	0.8
125.02338	5.7
125.05949	1.0
129.01857	1.0
131.03410	15.5
131.51334	0.8
143.03419	4.6
145.02919	0.9
149.04466	39.4
161.04466	5.1
162.66257	0.9
179.05547	9.8
190.30698	0.8
191.05545	11.5
221.06735	1.1
224.12497	0.8
233.06662	1.3
247.11890	3.4
251.07726	1.7
301.07651	1.0
328.35846	0.9
379.06747	1.5
379.16071	25.3
380.16504	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	377.2696
Annotation	Plakinic acid F
Peak:m/z	Relative Intensity
58.69427	0.3
86.17316	0.4
88.56419	0.4
145.37349	0.4
236.21252	0.3
313.25647	0.5
315.26794	2.2
333.27972	74.2
334.28339	7.5
359.25897	9.8
360.26318	1.5
377.26956	100.0
378.27319	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	379.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.7
61.00900	1.0
68.99684	1.9
69.97206	3.2
70.24125	0.7
71.01254	43.9
72.01584	0.8
72.99175	6.7
75.00741	1.9
75.02451	3.9
83.01258	2.5
83.36527	0.7
85.00903	4.0
89.02322	1.4
97.99976	0.8
98.19816	0.8
99.00759	2.6
99.02499	1.6
101.00413	0.9
103.01962	2.4
111.00765	1.3
112.98699	5.1
113.02336	0.8
114.98332	3.0
115.00263	12.0
115.01968	1.5
127.01983	0.7
129.03513	1.3
131.01495	0.9
133.01317	2.2
140.99977	0.7
142.99759	2.0
143.01485	2.2
145.01328	2.4
157.01369	0.7
159.01004	3.7
168.99445	0.7
171.00972	10.1
173.00876	0.9
173.02562	3.2
187.02310	0.9
191.03601	1.2
199.00432	1.5
201.02115	3.6
230.99458	2.2
231.03125	4.2
233.04713	1.5
249.24588	0.7
263.05804	40.3
264.06180	1.9
276.96255	0.6
287.02350	1.2
316.70078	0.7
319.04797	0.7
324.66022	0.7
341.10779	1.4
347.04196	2.6
379.06897	100.0
380.07236	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
60.85352	2.2
62.83482	2.1
71.57455	3.5
82.76689	2.1
136.36330	2.1
159.08405	8.9
159.53902	2.3
161.06218	3.5
164.11856	2.2
176.00125	2.0
209.01207	3.8
211.48116	2.3
217.07188	2.5
277.07285	2.8
289.07645	2.2
291.09079	90.2
292.09286	12.8
346.93762	2.5
359.15335	100.0
360.15350	13.2
375.18466	4.3
375.29111	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	375.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
74.98955	1.9
84.73483	0.6
93.00003	1.3
137.09280	0.7
149.00853	1.0
159.08377	11.4
161.06305	3.9
173.69469	0.7
192.98019	0.9
209.01257	2.5
216.83560	0.7
217.07207	1.3
229.26109	0.6
251.56636	0.7
277.07471	3.0
289.07562	2.0
291.09097	94.3
292.09225	11.5
309.10065	2.4
357.13815	1.9
359.15347	100.0
360.15515	15.9
375.18552	2.8
377.16394	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	377.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	32.3
71.01250	30.9
71.56427	5.0
77.93233	3.4
78.95767	3.7
86.04184	3.6
89.02319	44.3
93.36880	3.9
101.02337	17.7
104.80188	3.6
106.73540	3.9
109.46868	4.5
113.02357	9.2
119.03387	15.8
127.49873	3.6
161.04463	9.8
172.56708	3.8
179.05508	22.5
215.03262	15.2
311.31073	4.2
341.10904	100.0
342.11194	4.6
377.08621	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60759	0.6
59.00989	1.1
59.01250	13.7
71.01251	11.6
71.56871	0.8
78.71200	0.7
89.91708	0.7
127.07521	1.5
134.85406	0.7
151.07491	1.4
164.08328	1.7
174.99196	1.7
177.09087	4.3
190.09918	2.9
192.11491	7.2
193.11728	0.7
205.12263	3.8
207.13737	1.0
217.00259	9.6
218.09485	2.5
220.12970	0.7
220.14627	40.5
221.15408	100.0
222.15782	6.5
231.17293	0.8
235.13332	2.1
236.10497	90.6
237.10843	7.4
269.08456	0.9
273.08704	0.7
292.11722	1.0
293.17596	36.2
294.17999	3.4
318.09671	7.1
319.09683	1.0
321.15579	2.6
331.22891	1.4
355.53641	0.7
367.84296	0.7
375.17981	7.3
375.21805	4.3
375.25644	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	375.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96699	11.9
51.67701	12.4
55.24718	12.4
56.45273	14.3
57.03313	19.7
59.01254	65.9
71.01254	100.0
71.06895	31.3
73.02803	18.9
85.02827	28.4
89.02316	72.8
91.73123	14.9
96.95907	21.2
99.00784	13.2
101.02331	42.2
113.02317	38.8
119.03419	26.9
125.02304	15.7
149.02472	16.3
150.03076	18.7
152.04831	11.6
161.04434	22.9
213.21815	13.4
216.58975	14.3
227.03519	14.0
229.01210	14.5
234.89648	12.9
252.96654	13.1
297.23273	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	375.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41209	1.2
55.01749	2.5
57.03319	3.4
58.00466	4.6
58.34784	1.0
59.01253	100.0
60.85609	0.9
63.85243	1.0
70.45620	0.9
71.01255	72.5
71.10475	1.0
71.56701	1.0
71.57147	2.1
72.99178	7.4
73.02824	6.2
74.00402	0.9
79.79245	1.1
83.01273	6.1
84.02073	1.1
85.02828	19.9
87.00741	5.2
88.75201	1.2
89.02320	69.5
95.01256	6.1
96.95914	1.0
97.70853	1.0
98.02358	1.3
99.00767	2.8
101.02324	55.8
102.02697	2.0
113.01534	1.2
113.02327	27.6
116.03413	2.7
119.03388	40.6
120.03759	1.4
125.02312	2.0
125.03444	1.1
131.03369	3.2
143.03416	4.4
149.04477	2.4
151.11172	1.3
155.07069	1.2
159.02963	1.3
161.04457	5.5
169.12274	2.1
177.09198	3.4
179.05586	5.9
195.10103	1.2
213.11288	1.4
245.84090	1.2
320.48959	1.2
357.15558	9.6
375.16614	70.9
376.16989	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	374.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24746	0.2
59.01258	2.0
62.16734	0.2
70.85966	0.5
70.86291	0.3
75.36367	0.3
101.05957	1.2
124.07555	0.7
149.27812	0.2
165.10234	0.4
174.99165	0.6
189.10236	0.6
205.12222	0.4
217.00227	2.4
232.10869	10.1
233.11237	0.5
260.10281	0.4
272.17603	0.5
273.15967	0.4
274.15771	0.3
288.91409	0.3
289.18011	1.6
290.18719	3.0
316.16745	1.5
318.18137	0.7
331.26254	0.4
358.21448	0.4
374.24469	100.0
375.24939	13.0
375.32050	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.9995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	43.5
63.01633	12.2
64.03903	11.8
67.94398	17.9
71.01257	19.1
71.14854	19.3
71.15184	23.1
82.15498	16.1
85.02859	15.0
96.95892	13.3
119.04930	63.6
185.00703	19.2
203.03499	20.9
215.00163	20.6
255.08847	39.5
259.02576	16.0
287.01898	100.0
331.01035	44.2
375.07077	31.2
393.14258	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	375.0933
Annotation	capsazepine
Peak:m/z	Relative Intensity
55.01756	1.5
59.01246	5.4
60.67326	1.3
65.96680	1.3
67.01752	2.2
69.00569	1.2
71.01273	8.6
71.20490	2.5
72.99199	1.5
73.02812	3.8
73.55033	1.1
83.01257	2.0
85.02819	5.8
95.01276	3.5
97.58749	1.2
99.00753	1.9
100.43283	1.2
101.02338	6.6
107.01294	7.0
111.00790	3.3
113.02319	3.1
123.00770	23.7
125.02351	26.6
136.98698	3.6
139.00285	6.4
140.01041	5.3
141.01900	2.5
151.00291	11.9
168.00584	3.5
169.01341	29.5
214.99727	2.0
275.01883	2.6
306.58948	1.3
375.09308	100.0
376.09763	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	374.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44077	0.4
54.74559	0.4
57.45464	0.4
59.01255	6.8
71.01260	0.6
78.28073	0.4
85.28098	0.4
89.02345	0.4
93.03337	0.5
122.03636	9.4
134.80615	0.4
136.03957	0.5
137.02409	0.5
138.02708	0.5
152.03447	100.0
153.03787	3.4
161.02356	0.5
169.01363	0.4
177.01866	0.5
204.00586	0.5
212.80135	0.5
229.86418	0.7
245.00874	0.7
257.00894	0.5
261.00473	0.8
271.99576	0.8
286.03564	0.7
290.00534	0.7
300.01682	0.5
300.99829	0.6
312.01520	0.8
315.98605	1.4
330.02853	0.6
341.30576	0.4
356.00623	1.0
374.01608	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10820	4.8
59.01243	11.2
59.53485	5.3
65.99727	8.2
71.01263	9.0
71.57507	8.6
95.52182	4.8
113.02255	6.4
117.03342	9.5
119.04911	6.8
121.02802	4.6
125.02299	5.9
132.02039	8.7
133.02820	10.1
135.97020	5.8
139.78571	6.1
145.02829	15.4
147.00833	10.1
148.01563	9.4
149.02264	7.7
155.07079	16.9
159.04390	8.9
160.01540	19.7
161.02388	29.9
162.03120	10.6
163.00264	7.3
163.03882	10.8
169.01328	6.4
169.02925	8.3
172.01530	7.9
173.02359	10.0
175.03920	7.3
176.01033	15.7
177.01886	24.4
178.99759	5.3
185.02338	9.8
188.01166	12.7
189.01816	34.5
190.02721	13.7
191.03406	9.2
200.01157	15.7
201.01820	20.0
202.99695	7.0
203.03346	9.9
204.00584	12.0
205.01337	13.5
206.02077	10.5
207.02881	6.4
213.01880	12.7
214.99812	8.9
215.03351	9.4
216.00629	41.3
217.01425	28.6
218.02066	15.3
218.99182	6.3
219.02957	5.2
228.03008	7.1
229.01381	28.8
230.02011	6.0
230.04610	5.4
230.99255	20.1
231.02968	12.8
232.00093	13.2
233.00891	22.9
237.09773	10.3
238.01309	8.5
241.01418	14.0
242.04576	6.7
242.99217	9.1
244.00124	46.9
244.02383	8.3
245.00890	59.3
246.01707	26.8
246.98849	11.1
255.01888	5.9
256.02557	13.7
257.00882	40.1
258.98788	10.0
259.02469	12.0
259.99619	36.2
261.00308	56.8
262.01013	7.2
268.02521	29.5
270.98859	31.9
271.01297	6.3
271.99634	51.7
273.00375	28.6
275.99213	6.3
284.02036	57.3
285.00336	22.0
286.00589	9.6
286.03421	36.5
286.98404	13.2
287.99002	18.7
288.01764	10.6
288.99976	8.8
290.00626	51.2
297.97501	7.4
298.97964	25.2
299.98926	16.5
300.01791	12.5
300.99799	75.9
302.03177	12.5
312.01440	45.6
315.98544	83.8
316.99396	26.3
328.00891	20.3
330.02661	35.0
333.99670	21.5
356.00452	100.0
374.01453	85.8
374.11343	8.9
398.36050	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	373.2597
Annotation	oscr#24
Peak:m/z	Relative Intensity
54.14834	0.5
57.03324	3.3
59.01253	100.0
60.01585	0.7
69.03319	0.8
70.38701	1.1
70.39097	1.6
71.01255	0.9
72.99184	1.0
76.85107	0.5
81.03351	1.1
85.02831	0.8
99.00751	0.9
99.08096	0.8
101.02357	0.6
111.08042	1.3
125.02344	2.4
125.09673	0.6
127.11191	5.2
128.51248	0.7
137.09618	6.0
138.10056	0.6
143.10660	0.7
155.10690	6.0
157.12306	3.1
169.12216	1.0
173.11635	0.8
183.13818	0.9
184.11009	2.2
185.11690	1.0
186.12491	0.8
205.03421	3.0
216.10081	1.0
218.02162	1.3
225.61391	0.7
251.20094	0.9
263.95465	0.6
277.21823	0.8
295.22842	4.3
296.23132	0.8
300.99939	0.9
302.00485	0.7
311.25821	0.7
313.23831	10.3
314.24237	0.8
355.24759	0.9
373.09229	2.0
373.25934	83.2
374.26218	9.6
394.41843	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	3.1
57.03325	3.0
58.00477	5.1
59.01252	100.0
60.01590	0.8
69.03317	0.9
69.29719	3.1
69.30145	4.6
71.01256	85.6
72.01615	1.6
72.99181	6.9
73.02819	10.9
73.03198	1.1
75.00753	1.3
77.12600	0.7
80.38176	0.7
83.01263	7.3
85.02826	24.6
87.00763	3.7
89.02319	75.6
90.02673	0.9
95.01272	7.0
96.95898	0.7
97.02833	1.2
99.00751	6.4
101.02323	63.4
102.02649	2.0
113.02332	34.9
119.03392	35.0
120.03696	1.0
123.00797	1.1
125.02354	3.5
129.01823	1.5
131.03406	3.3
137.09628	1.0
143.03412	5.4
147.00739	0.7
149.04515	2.3
159.02892	4.6
161.04459	25.3
162.63489	0.9
163.00162	1.1
178.99779	0.9
179.05547	4.8
189.97287	0.8
195.02963	1.0
199.32352	0.7
205.03491	2.7
208.00064	2.1
223.02402	3.5
285.03589	0.7
295.78638	1.0
297.07751	1.4
300.99878	1.6
328.99521	1.1
329.10056	2.8
341.06656	0.8
358.10599	0.8
373.09119	3.8
373.22171	40.1
373.26093	7.6
374.09283	1.1
374.22568	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	373.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54388	0.6
55.01752	1.3
57.03325	0.8
59.01255	6.8
64.53667	0.6
68.95485	0.7
68.99691	1.0
71.00865	1.1
71.01257	23.0
72.99196	4.9
73.02834	3.3
75.00737	0.9
76.30862	0.7
80.72467	0.6
83.01273	6.4
85.02840	3.7
87.00753	2.6
89.02325	3.0
93.03311	0.8
95.01258	2.5
97.02835	1.3
97.64792	0.7
99.00771	2.8
101.02331	5.9
105.01806	3.9
107.01254	3.9
109.02863	1.2
111.00768	3.0
113.02341	2.4
123.00773	20.7
124.01582	1.2
125.02341	17.3
127.00292	3.7
135.04448	1.3
136.98692	1.7
139.00285	6.6
140.01060	5.3
141.01860	3.9
147.04405	1.6
151.00266	13.8
153.01828	1.9
155.10651	1.7
158.09937	0.7
161.00809	1.1
161.02457	1.3
161.04416	1.2
168.00536	5.0
169.01346	21.8
170.01775	0.8
198.70215	0.6
226.06567	0.7
227.16478	2.2
300.99985	1.4
337.05969	0.7
341.06601	0.8
355.17584	1.4
373.11404	100.0
373.18121	6.4
374.11832	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	373.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	10.7
59.57339	0.7
79.54927	0.6
83.44658	0.6
93.03332	3.0
97.06461	0.8
98.20540	1.8
112.38405	0.5
115.78225	0.6
118.33521	0.5
148.08884	1.4
150.10379	1.5
165.11353	1.1
165.12767	21.3
166.13107	1.7
176.12010	0.8
179.14024	0.6
186.66336	0.6
191.14287	0.8
229.19487	0.6
244.10780	3.3
247.20642	11.1
273.18613	6.2
291.19662	100.0
292.20001	10.8
300.99744	0.7
313.17841	10.4
314.18335	0.8
358.32471	0.7
373.20020	7.1
373.24243	0.7
385.08447	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1139
Annotation	Dercitamide
Peak:m/z	Relative Intensity
55.01748	0.6
59.01263	3.3
67.01750	1.3
71.01273	4.3
72.99201	0.7
73.02811	1.9
79.01768	0.7
83.01270	2.0
85.02821	3.7
87.00774	0.7
89.02353	0.6
95.01254	1.7
97.02811	0.8
101.02341	5.0
105.18097	0.6
107.01270	2.7
111.00800	3.4
113.02310	2.0
123.00768	16.9
124.01576	1.9
125.02344	14.5
127.00287	1.5
136.98688	2.3
139.00282	6.5
140.01091	6.0
141.01820	2.8
151.00278	14.8
153.01811	1.2
161.25638	0.6
164.01183	0.6
168.00560	4.4
169.01343	19.1
229.83658	0.9
318.84830	0.7
373.11386	100.0
374.11746	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	373.0331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	9.4
71.01258	10.9
71.57156	6.1
83.01244	6.6
87.00784	4.9
93.13555	4.0
97.92226	4.5
99.00776	11.0
109.02853	16.9
115.00284	24.8
118.50362	4.3
121.06456	5.3
125.02459	5.4
126.93052	4.7
133.02853	4.8
135.04431	9.0
145.02942	5.5
147.04405	8.6
149.05984	98.4
150.06235	4.5
153.05450	4.8
161.02362	33.6
163.03902	9.5
166.02612	6.4
167.03384	8.4
175.02373	11.9
175.03937	17.5
177.01839	24.7
181.05017	5.8
189.05388	5.5
193.05029	9.4
206.02147	5.2
219.02940	30.6
227.01987	4.5
233.04506	13.5
237.04022	45.6
241.07162	6.4
275.05588	4.8
277.03476	25.7
293.06714	17.1
300.99954	17.4
319.04672	8.9
328.99338	7.9
337.05624	100.0
338.06012	6.8
371.21176	4.6
373.02975	10.1
373.11392	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	371.2074
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
54.81821	0.2
55.01760	9.2
57.03325	9.8
58.00254	0.2
58.00478	3.2
58.03661	0.2
59.01252	65.9
60.01587	0.6
60.22541	0.2
62.27571	0.2
65.15427	0.2
67.01766	0.3
68.99692	0.6
69.03348	1.4
69.35922	2.5
71.01255	100.0
72.01588	1.8
72.99178	3.9
73.02821	32.4
74.03151	0.4
74.13087	0.2
75.00749	1.9
81.03344	0.5
83.01260	16.8
84.01588	0.3
84.02055	0.7
85.02825	47.3
85.99974	1.4
86.03179	0.7
87.00753	4.9
89.02321	20.1
90.02669	0.5
95.01263	6.7
97.02836	2.1
98.10624	0.2
99.00085	0.3
99.00282	0.2
99.00758	13.3
101.02325	75.3
102.02654	1.8
111.00762	1.9
113.02333	38.8
114.02681	1.1
119.03394	6.6
123.08046	0.7
125.02329	2.2
129.01849	2.4
131.03415	0.6
137.09615	1.6
139.00291	0.3
139.11218	0.3
141.01855	0.5
143.03418	4.5
149.04509	0.3
149.09627	0.7
151.11218	0.2
159.02898	8.9
160.03349	0.3
161.04468	38.1
162.04811	1.6
165.12772	0.5
167.81540	0.2
179.05571	0.8
205.03477	0.9
209.15419	9.2
210.15762	0.8
228.80745	0.2
266.56711	0.2
279.15994	0.5
284.60196	0.3
299.01865	0.4
371.20740	23.1
372.21124	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2074
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
55.01749	6.7
57.03310	7.0
58.00448	2.2
59.01252	51.3
71.01256	100.0
71.57883	3.0
72.99183	2.9
73.02818	26.7
75.00764	1.8
83.01250	14.2
84.02023	1.7
85.02827	44.8
87.00747	4.9
88.05113	1.4
89.02316	21.4
95.01244	7.3
97.02793	2.3
99.00780	13.8
101.02322	83.2
102.02708	2.2
111.00771	3.2
113.02341	40.0
119.03378	9.4
131.03333	1.6
135.04399	1.7
137.09572	1.6
143.03406	4.4
159.02861	11.9
161.04478	39.3
205.03528	2.1
209.06128	1.5
209.15405	8.1
278.73169	1.5
290.17447	1.5
293.86264	1.5
324.39304	1.5
371.07669	4.5
371.20602	24.9
371.24484	15.4
372.20978	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	371.1498
Annotation	Denudanolide C
Peak:m/z	Relative Intensity
63.81862	0.6
67.34548	0.6
67.47664	0.7
71.06292	1.2
71.06647	1.0
72.26574	0.6
75.79995	0.6
102.90175	0.7
132.02061	6.7
135.04543	0.9
160.01579	14.3
161.02043	1.2
164.04807	0.7
166.06364	2.4
175.03967	1.1
179.10811	1.2
181.08743	2.0
197.06017	3.5
205.66299	0.7
209.06221	1.1
211.03986	4.4
211.07671	1.7
216.57437	0.8
218.09491	0.8
223.07635	0.8
225.05511	1.4
225.09236	0.8
226.06404	1.2
226.09851	0.8
237.05661	1.2
239.03621	0.8
239.07141	1.3
241.08719	1.4
242.09465	21.9
243.06522	0.7
243.09956	1.5
245.08171	5.3
246.08942	10.7
251.07143	1.2
252.04439	0.9
253.05099	1.8
253.08794	1.9
254.05908	1.4
254.09590	2.4
257.08194	1.4
257.11801	12.4
258.08926	1.0
258.12036	1.0
265.05066	0.7
269.08197	2.5
269.11905	1.5
270.08963	19.8
271.09454	2.0
280.07449	1.4
281.04636	7.4
281.08246	3.3
282.05627	1.2
282.08969	10.5
283.09659	3.6
285.11325	20.5
286.11768	1.9
295.09833	3.2
296.10452	1.8
297.07651	3.1
297.10959	1.2
298.08469	19.0
298.11838	1.1
299.01810	3.3
299.08813	1.6
302.07907	1.7
308.06964	1.1
309.07700	2.1
310.08447	10.4
311.09235	9.3
312.09827	2.4
313.10794	10.1
323.09302	5.5
324.09891	7.1
325.07358	0.9
325.10754	15.6
326.07986	18.5
326.11612	10.7
327.08496	2.1
328.05902	1.8
339.12369	5.6
340.13098	9.1
341.10291	100.0
341.13721	5.1
342.06656	1.2
342.10660	10.5
355.11847	2.9
356.12646	84.7
357.13016	8.4
371.07455	3.3
371.14957	77.1
372.15421	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	371.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01623	0.2
51.61858	0.2
53.65353	0.2
57.28907	0.3
59.01238	0.9
64.30933	0.2
70.33917	0.3
70.34262	1.0
71.01251	0.3
78.86174	0.2
81.27778	0.2
83.04891	0.4
85.02827	0.6
87.00756	0.6
93.03331	1.7
94.17038	0.2
98.19823	0.3
104.81504	0.2
107.04932	0.3
109.02850	1.9
111.04418	1.4
117.03338	0.3
123.04408	2.8
133.02791	0.3
134.03644	1.7
135.04417	100.0
136.04761	4.0
137.02342	0.9
153.05498	3.0
155.03415	1.3
167.03418	1.9
173.04466	8.8
174.04778	0.3
179.03413	4.1
191.05533	10.0
192.05858	0.6
197.04489	5.4
198.04916	0.2
209.02657	0.2
238.16985	0.3
341.08795	1.5
353.08807	2.4
371.09842	5.7
372.10080	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79719	11.4
59.01245	44.6
62.45896	11.8
69.72313	68.4
71.01254	86.4
72.99179	100.0
73.02824	22.6
75.00762	56.3
85.02826	32.9
87.00755	56.3
89.02332	34.3
95.99580	11.5
99.00736	21.4
101.02328	18.8
103.00252	51.4
113.02352	19.9
115.00280	42.7
117.01826	13.3
125.02364	13.5
129.01791	17.2
133.01353	12.6
147.02934	15.8
151.95049	12.0
163.02437	16.5
191.01917	39.9
191.05576	40.6
193.03465	30.0
200.61478	11.8
203.07381	12.7
238.46292	10.7
316.12064	14.2
371.08173	48.0
371.12274	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	371.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82658	0.2
54.27094	0.2
59.01248	0.8
71.01253	0.6
71.56672	0.5
72.99192	0.5
81.03326	0.3
83.04891	0.4
85.02821	0.8
87.00758	0.9
93.03334	3.0
107.04939	0.3
109.02829	1.7
111.04402	1.5
123.04414	2.1
125.02346	0.5
129.01921	0.5
134.03624	1.5
135.04414	100.0
136.04752	4.3
137.02342	1.6
153.05476	1.6
155.03418	1.6
167.03432	1.2
169.01338	0.4
173.04477	11.4
174.04784	0.6
179.03430	5.4
191.05539	10.6
192.05879	0.4
197.04497	4.4
198.04845	0.3
219.05177	0.4
233.06615	0.2
251.06348	0.3
341.08856	0.8
346.62439	0.2
353.08740	3.0
371.09845	6.6
372.09952	0.6
375.18900	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	2.5
57.03324	3.9
58.00470	5.6
59.01253	100.0
60.01601	1.1
65.41523	0.3
69.03326	0.7
71.01255	77.9
71.57867	0.7
72.01591	1.3
72.99182	6.4
73.02824	6.8
75.00762	0.9
83.01264	5.1
84.02051	0.4
85.02827	17.6
87.00750	3.0
89.02319	91.3
90.02652	1.2
95.01274	4.9
97.02805	0.5
99.00752	2.0
101.02325	39.2
102.02647	0.9
113.02335	29.3
114.02622	0.7
115.03896	0.5
119.03393	31.1
120.03735	0.5
121.06486	3.7
125.02299	1.1
131.03406	2.3
137.09624	28.5
138.09924	0.9
143.03413	3.7
149.04466	2.1
159.02873	1.1
161.04462	4.5
161.09578	0.5
163.11174	0.9
169.01297	0.5
179.05524	4.4
187.11122	0.7
189.09058	1.6
189.12746	1.1
192.00447	0.4
207.10115	1.6
223.13379	2.2
229.42844	0.4
231.10168	0.7
245.00764	0.6
261.00266	1.0
267.08691	0.7
267.12238	0.8
299.98993	0.5
307.11847	0.6
369.05850	1.0
369.11511	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0827
Annotation	5-Hydroxy-6-methoxy-7-O-beta-D-glucosylcoumarin
Peak:m/z	Relative Intensity
51.55947	0.2
54.50830	0.2
69.03336	0.8
70.10130	1.2
86.71246	0.3
95.01272	0.6
97.02802	0.3
99.06207	0.3
107.01302	0.6
119.01244	0.4
120.02075	0.8
123.00771	2.3
124.28423	0.2
135.00780	1.4
136.01514	0.3
140.55388	0.3
163.00287	4.3
164.01088	2.0
175.00317	0.6
183.87767	0.2
190.02615	0.3
190.99789	10.3
192.00572	79.9
193.00934	3.6
205.01454	0.3
205.98505	0.4
206.02164	4.8
207.02933	100.0
208.03267	4.9
278.59915	0.3
365.19543	0.2
369.08252	14.2
370.08466	1.5
376.40811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	3.2
59.01249	24.2
67.01746	3.2
68.99679	4.1
69.03331	6.8
69.85757	5.3
69.86169	7.2
71.00893	3.3
71.01260	45.6
72.82236	2.0
72.99178	27.1
73.02820	36.9
75.00756	15.8
79.05433	3.0
81.03326	6.4
83.01253	9.7
83.04905	3.1
85.02837	23.6
87.00755	100.0
88.01113	2.4
89.02312	14.8
92.29591	2.2
93.03349	8.8
95.01273	4.7
97.02818	11.3
99.00775	16.8
99.04404	6.0
100.07123	2.5
101.02335	20.2
102.01892	2.6
103.00266	20.0
105.01839	4.9
107.04930	4.4
109.02840	27.1
111.00776	7.4
111.04416	13.6
113.02332	13.3
115.00252	22.2
117.01823	14.5
119.03400	3.4
121.02829	6.4
123.04432	6.6
125.02342	19.9
126.14999	2.1
127.00263	5.2
127.03906	25.3
129.01837	18.4
131.03404	4.2
133.01308	4.7
135.02795	2.2
137.02382	4.3
137.05989	3.4
139.00208	2.6
139.03923	7.4
141.01826	8.9
141.05536	3.0
143.03415	4.6
145.01375	12.7
147.02855	3.6
149.05927	5.2
151.03923	7.7
153.01826	11.7
155.03445	7.1
157.01358	4.5
159.02898	9.9
163.02502	3.3
163.03856	5.3
165.01855	3.0
165.03938	2.8
167.03412	3.2
169.04965	8.1
171.02904	61.3
173.04417	3.1
174.01669	3.5
175.02425	12.7
175.03760	2.3
179.03496	4.2
179.05682	2.8
181.05017	4.4
183.02881	2.7
189.03983	38.8
190.04211	2.7
191.01875	11.2
191.03741	3.6
191.05534	21.9
193.03462	6.9
193.05016	3.5
195.02902	3.4
197.04408	3.5
201.04025	7.7
213.03996	8.4
219.03011	6.5
219.05099	16.1
231.05061	13.8
243.04962	3.0
249.06136	49.3
250.06558	3.5
261.06100	12.3
279.07196	39.6
293.62286	2.6
309.08533	3.8
333.08316	4.0
351.09406	24.4
369.05963	5.5
369.10391	77.9
370.10614	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	4.2
71.01273	2.2
71.49471	1.3
71.49808	1.7
73.02799	1.5
75.53456	1.2
76.24694	1.0
76.62550	1.0
88.18711	1.1
93.82985	1.1
111.08028	2.5
123.00774	1.6
125.02332	3.7
137.02400	1.2
161.02373	1.2
163.00232	2.5
168.00375	1.5
169.01292	2.2
184.05234	3.3
190.28331	1.2
197.02197	1.6
211.03897	3.9
212.04620	1.9
213.09129	2.6
214.02664	1.8
216.04265	2.4
223.04048	1.7
223.07489	1.4
224.04753	2.7
225.09167	1.8
226.02637	1.4
239.03479	16.5
240.04247	77.1
241.04648	6.4
241.08662	1.9
242.02200	1.6
251.03491	1.5
251.07127	1.8
253.05003	1.8
253.08661	2.7
254.05865	2.0
255.02826	1.6
256.03766	1.4
267.02972	4.0
268.03763	100.0
269.04156	6.7
269.08182	13.1
279.06592	1.9
281.04575	2.0
281.07846	1.9
282.05283	2.7
293.06915	2.7
295.02481	11.7
295.05807	1.8
296.02972	3.3
297.07678	76.5
298.04874	1.6
298.08032	5.9
307.06091	2.4
312.06396	2.1
313.07071	7.6
325.03299	1.9
325.07166	35.1
326.07635	2.0
341.06656	26.1
342.06885	1.8
369.01883	1.9
369.06158	26.7
370.06625	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67305	1.6
71.01245	2.5
85.02819	10.0
85.69621	1.8
86.79706	1.4
86.94535	1.4
87.00760	2.2
89.62677	1.5
90.69086	1.4
93.03345	8.8
95.04936	2.4
98.20551	4.4
105.03349	6.8
107.04894	4.5
108.02048	2.3
109.02855	1.5
109.23113	1.6
111.04436	2.2
121.02833	1.7
122.03614	2.3
123.04417	47.9
124.04728	2.5
125.02304	2.6
127.03857	2.7
133.02858	55.3
134.03131	2.2
137.02287	1.9
151.03920	26.8
155.03363	3.3
155.70818	1.6
173.04459	24.6
177.01860	13.6
191.05539	100.0
192.05888	5.4
195.02927	61.2
196.03151	3.0
351.03564	1.7
369.08228	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	369.0615
Annotation	Meliternatin
Peak:m/z	Relative Intensity
51.85560	0.5
59.01247	2.1
59.37214	0.5
59.90411	0.6
65.00192	0.9
67.43896	0.6
69.32207	2.8
69.32637	3.5
71.01254	1.6
73.02827	0.7
88.42052	0.6
96.95879	0.8
98.19837	1.1
115.05431	0.6
121.02689	0.6
125.02333	0.6
160.01579	0.7
183.04474	0.9
188.01050	0.9
190.52655	0.7
195.04384	1.0
196.05209	1.9
198.03137	1.1
199.03883	0.9
202.02542	0.7
209.06017	1.1
211.03952	2.6
212.04651	2.4
216.00591	2.1
217.01289	2.1
218.02235	0.8
223.03906	1.0
223.07561	1.5
224.04692	1.2
224.08214	1.0
225.05498	2.0
225.09164	6.6
226.02655	1.5
227.03416	1.2
230.02260	1.4
231.03061	0.9
237.05582	1.2
238.02632	3.3
238.06111	0.8
239.03426	4.3
240.04204	4.1
241.08740	3.2
243.99982	3.9
246.01665	2.1
251.03462	1.5
251.07156	1.3
252.04218	1.7
253.05051	1.3
253.08632	2.1
254.02277	1.2
254.05734	1.0
255.02661	0.8
258.01727	1.2
262.01239	0.8
265.05124	1.1
267.02969	6.9
267.06082	1.0
268.03754	3.0
268.07239	0.9
269.08154	6.1
271.99579	5.3
273.00317	1.3
279.06638	1.8
281.04535	1.9
281.08051	1.2
282.01700	1.5
282.05096	1.5
295.02426	0.7
296.03204	2.0
296.06912	3.7
297.07623	11.7
298.07990	1.0
308.06766	0.9
325.07141	8.3
326.07312	1.0
326.97791	0.7
341.06897	1.0
360.40030	0.8
369.06140	100.0
369.22717	1.5
370.06476	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	367.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.0
71.01261	1.4
73.02837	1.0
81.03351	0.4
83.04893	0.9
84.99901	0.4
85.02832	1.8
89.03844	3.2
93.03339	2.8
101.02312	0.9
106.04091	0.4
109.80072	0.5
111.04404	2.9
117.03341	11.0
118.03696	0.9
134.03633	100.0
135.03957	3.9
137.02341	1.0
149.06006	5.1
155.03419	3.1
161.04486	0.5
173.04477	3.7
191.05540	4.1
193.04993	57.6
194.05327	3.8
229.29129	0.5
235.11795	1.3
310.79379	0.5
367.10364	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	367.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00529	0.5
57.03315	1.5
59.01254	2.4
60.99160	0.8
61.61863	0.5
67.01766	5.6
69.03329	1.2
69.29794	0.6
69.30083	5.7
71.01240	3.7
76.99181	0.4
78.74586	0.5
81.03321	1.3
83.04900	1.3
85.02829	1.3
87.00758	1.1
89.03814	0.8
93.03338	34.2
94.03670	1.4
107.31207	0.4
111.00780	1.1
111.04400	7.3
113.02343	0.7
117.03336	2.9
127.03905	0.6
129.32140	0.5
134.03636	27.9
135.03952	0.8
137.02341	5.8
149.06006	2.1
155.03406	4.2
173.04474	100.0
174.04828	3.1
191.05531	7.8
193.04984	17.2
199.29524	0.5
298.29691	0.5
367.10153	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	367.2643
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
50.00948	0.9
52.82257	0.8
71.94937	0.9
102.39323	0.9
116.66948	0.9
126.19830	0.8
133.06497	9.4
149.09622	73.1
150.09978	3.3
156.77298	0.9
162.01688	1.0
176.86084	1.0
197.02812	1.1
205.15927	43.1
206.16310	2.2
229.21243	0.9
295.17035	2.7
296.95197	1.0
328.16956	1.5
367.26416	100.0
368.26791	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	367.0459
Annotation	Norbikaverin
Peak:m/z	Relative Intensity
50.61171	0.4
59.01243	1.0
65.00194	0.6
65.88836	0.4
69.46323	3.6
73.02804	0.5
90.35439	0.4
96.95882	0.5
98.19838	0.8
100.42002	0.5
140.95335	0.5
141.03362	1.8
143.04874	0.5
145.02899	0.6
157.02890	1.1
158.03583	0.4
169.02853	9.3
170.03479	0.7
171.04414	0.5
181.02899	0.6
182.03656	1.0
183.04428	0.5
183.07959	0.5
185.02383	2.7
188.35797	0.4
193.04958	0.5
197.02382	7.8
198.03087	2.5
199.03740	0.8
203.14442	0.4
209.02335	0.8
210.03142	1.4
213.01859	5.4
214.02522	1.4
215.03360	0.7
216.00609	0.5
222.03101	0.9
224.16562	0.6
225.01913	4.1
226.02576	1.6
228.00655	1.1
237.02002	1.3
238.02629	1.0
238.54774	0.5
239.03281	0.6
239.07092	0.8
241.01350	4.7
242.02138	0.9
246.17799	0.4
251.03619	0.4
251.07068	0.9
252.04219	0.7
253.01410	13.0
254.01920	3.2
255.02805	0.7
256.00153	5.8
265.01474	1.1
266.02209	7.0
267.03055	0.7
267.06635	1.8
268.00226	2.1
269.00912	10.4
270.01538	3.0
270.98737	0.6
271.99564	1.1
279.02939	0.9
280.03754	0.8
281.00949	6.8
282.01697	13.4
283.02252	2.5
283.99600	2.9
293.00891	1.2
294.01752	1.9
295.02481	1.6
295.06152	2.9
297.00409	59.3
298.01093	17.9
299.01605	1.2
307.02466	1.2
308.03149	0.8
309.00415	41.1
310.01050	8.1
311.01825	1.4
311.05426	0.8
314.00711	2.8
321.00357	1.1
323.01938	2.6
323.05624	1.9
323.99057	1.6
324.02542	0.8
325.03540	6.9
330.00064	1.1
336.99908	22.6
338.00635	9.1
339.01303	1.1
339.05051	16.6
340.05453	2.4
366.03897	3.2
367.04578	100.0
368.04926	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	365.2332
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
57.03315	1.5
59.01249	5.3
69.03331	1.8
71.56916	1.8
73.77704	0.9
83.01276	0.9
92.40178	0.8
96.95905	2.0
99.00772	7.8
100.01550	2.9
103.61954	0.9
122.45098	0.8
160.05942	0.8
161.02507	1.0
176.61678	0.8
177.01833	1.0
195.00871	0.9
212.64348	0.9
236.06403	0.9
259.20645	3.3
269.19086	1.4
275.23755	2.6
277.25247	3.6
285.22174	1.6
287.20178	10.9
288.20441	1.3
303.23285	28.6
304.23715	2.8
319.22647	1.2
321.20697	3.7
321.24289	15.6
322.24670	1.8
347.22314	4.3
365.23264	100.0
366.23605	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	365.2332
Annotation	Annosquamosin F
Peak:m/z	Relative Intensity
59.01254	25.8
71.27894	1.7
71.28225	2.4
96.95892	3.5
106.34580	2.0
128.08986	1.8
164.69354	1.3
179.19478	1.2
208.97214	1.3
231.17607	2.1
253.54007	1.3
261.22263	7.4
277.21628	1.9
285.22101	3.2
303.23285	55.7
304.23611	6.3
305.21222	55.5
306.21552	3.8
347.22360	4.9
348.22855	1.9
365.23282	100.0
366.23688	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	366.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12771	0.2
63.48901	0.2
71.15230	0.4
103.41129	0.2
116.04953	3.5
129.95410	0.2
131.03641	0.3
132.04538	0.2
134.03651	0.5
159.03185	0.4
160.03952	100.0
161.04297	4.7
163.24852	0.2
193.05003	1.1
204.02979	6.3
205.03252	0.2
366.08295	16.2
367.08569	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.1
57.03315	0.5
58.00470	1.1
59.01253	27.9
71.01259	15.7
71.01656	0.7
71.04886	1.3
71.57534	0.7
72.99175	1.5
73.02856	0.6
83.01247	1.3
85.02820	4.4
87.00738	1.7
89.02321	15.7
95.01295	1.3
99.00756	0.9
101.01688	1.0
101.02328	11.7
113.02343	5.9
119.03385	5.6
127.11169	2.9
131.03355	0.6
138.88324	0.5
139.11128	0.7
143.03371	0.8
155.10687	1.2
156.24297	0.6
157.12259	15.9
158.12535	1.0
161.02316	0.9
161.04456	1.2
171.13773	0.8
179.05467	0.6
185.11748	2.9
187.13338	1.2
199.13312	1.9
203.12831	46.4
204.13155	2.2
205.01299	1.2
233.00900	1.2
245.00955	1.3
245.13940	2.2
277.03622	0.8
321.02454	1.1
328.64508	0.6
365.18158	100.0
366.18497	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	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34462	0.8
57.03318	2.0
57.19301	0.7
58.00469	1.6
59.01254	37.9
60.01594	1.0
69.73809	4.1
71.01258	22.9
72.99178	2.5
73.02814	2.7
75.00757	1.9
83.01268	2.5
85.02825	6.9
87.00758	2.5
89.02318	17.8
95.01249	2.0
98.20609	0.8
99.00763	0.9
100.52376	0.6
101.02327	14.8
113.02324	8.6
113.09645	1.4
119.03399	6.8
127.11160	1.9
131.03345	1.2
139.11179	1.5
142.06529	12.1
155.10654	4.6
157.12259	19.7
158.06111	1.0
158.12625	0.8
161.04524	0.7
169.01382	0.8
171.13776	1.0
185.11775	4.4
186.05499	5.0
186.53169	0.8
187.13309	2.2
190.67615	0.9
199.13358	2.0
203.12837	56.3
204.06578	2.9
204.13106	2.3
205.01427	1.0
245.13887	2.4
277.03101	0.6
309.82245	0.7
321.02420	0.9
365.18164	100.0
366.11877	6.7
366.18579	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	365.099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59078	12.4
52.66016	10.6
52.75142	14.0
52.83975	11.3
53.27173	10.7
58.18269	13.0
68.42114	10.8
69.29052	81.4
69.29475	45.6
92.04946	79.3
95.17911	12.0
99.32537	11.5
100.03935	99.7
136.03917	41.3
157.74162	12.9
180.17061	11.6
233.12923	100.0
251.14026	20.9
258.36395	13.3
277.11929	17.2
362.07050	12.4
384.06265	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	365.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45537	6.7
59.01254	47.1
66.65365	7.9
69.25786	100.0
71.01246	36.2
76.07050	7.5
83.01257	11.0
89.02326	11.1
93.03339	7.8
95.01257	10.0
96.95922	9.8
101.02314	15.0
111.00771	12.1
113.02332	11.1
119.01216	8.3
121.02830	10.6
123.00758	21.0
125.02324	24.0
139.00313	8.6
151.00241	14.4
153.05649	8.0
160.97940	8.5
166.99680	9.2
169.01305	15.8
174.13850	7.4
177.01964	12.9
182.87431	8.0
189.01799	13.4
205.01366	14.0
230.99287	14.7
231.99852	9.0
233.04498	10.0
316.03015	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	365.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50742	4.4
57.96774	4.8
59.01256	8.1
71.01239	5.3
71.56564	6.7
78.95815	4.6
85.02831	11.1
88.58090	4.6
89.33009	4.9
102.36082	4.8
115.00166	4.9
122.34930	4.9
131.99834	4.5
147.30345	4.8
160.03973	9.5
187.02902	5.0
190.04669	4.7
191.03941	3.5
191.05540	100.0
191.07137	8.1
217.05243	7.8
365.08945	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50742	4.4
57.96774	4.8
59.01256	8.1
71.01239	5.3
71.56564	6.7
78.95815	4.6
85.02831	11.1
88.58090	4.6
89.33009	4.9
102.36082	4.8
115.00166	4.9
122.34930	4.9
131.99834	4.5
147.30345	4.8
160.03973	9.5
187.02902	5.0
190.04669	4.7
191.03941	3.5
191.05540	100.0
191.07137	8.1
217.05243	7.8
365.08945	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0893
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
59.01249	2.0
61.00886	3.9
70.69376	2.6
71.01267	1.3
73.02807	1.9
83.01303	0.8
85.00932	1.5
85.02824	5.1
87.00777	2.3
92.63116	0.9
93.03354	8.7
99.00747	2.0
99.04398	1.1
101.02323	1.1
109.02852	2.6
111.00716	0.8
111.04417	2.6
113.00422	0.9
113.02331	1.2
115.00243	2.6
137.02347	2.3
155.03477	1.1
159.00999	4.1
173.02550	1.9
173.04488	3.3
178.90831	0.8
191.03664	4.8
191.05544	13.8
194.88231	0.9
199.04097	5.9
217.05194	23.9
233.04686	5.3
235.06261	2.3
238.66698	0.8
275.85870	0.8
287.05798	2.2
317.06784	1.4
347.07855	2.5
365.08984	100.0
365.64462	0.9
366.09335	6.7
378.41632	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2541
Annotation	Methyl 15-isobutyloxy-7-labden-17-oate
Peak:m/z	Relative Intensity
51.19075	1.2
59.01228	2.8
60.99176	2.0
69.03310	1.2
71.04917	2.0
71.56686	1.4
87.00775	1.3
92.26803	1.1
96.95860	2.1
99.04327	1.3
106.64532	1.3
127.09123	1.2
138.25375	1.2
151.07321	1.2
168.46295	1.3
219.17343	1.6
245.19121	1.5
247.20647	3.9
257.18994	1.3
259.20657	2.5
273.22232	6.9
275.23767	23.5
276.24152	2.4
289.21637	2.1
291.27136	2.5
301.25391	5.4
307.22809	3.7
309.28070	1.4
319.22964	2.3
319.26480	3.0
335.25977	2.3
363.25406	100.0
364.25781	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	364.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78543	2.8
50.80952	2.8
54.00521	3.1
59.01254	9.4
63.83582	2.6
69.41838	24.8
80.02549	5.1
93.03341	100.0
95.04906	16.9
96.95921	3.4
121.02805	2.8
166.75662	3.0
169.06505	6.4
181.23148	3.2
213.05502	4.0
219.34129	3.3
223.07584	9.1
249.12799	7.1
265.12323	10.3
293.11859	71.8
294.11935	4.7
337.10880	8.7
363.21408	4.0
363.25204	17.9
364.25787	13.1
374.55228	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52753	0.2
59.01242	1.2
71.01262	0.4
71.35383	0.5
78.95763	0.3
79.95605	7.1
80.96385	0.6
83.04916	0.3
87.58382	0.3
93.03347	0.5
96.95902	0.6
101.02287	0.3
103.55038	0.2
107.04916	1.0
119.04920	100.0
120.05256	3.6
121.02837	0.4
135.04424	15.2
136.04764	0.6
144.59479	0.2
163.03920	6.6
169.01343	0.3
175.00354	0.3
177.01840	0.4
199.00644	43.0
200.00897	1.7
205.01369	0.4
215.00153	21.1
216.00533	1.0
230.99289	0.3
242.99670	3.9
310.53217	0.3
364.21027	0.3
365.03329	12.3
365.19876	0.8
366.03723	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.0
57.03337	1.0
58.00470	1.6
59.01253	12.7
66.41808	0.5
69.03345	0.6
71.01256	18.3
71.58009	1.0
72.01601	0.6
72.99184	1.4
73.02820	2.9
83.01236	2.9
85.02837	5.0
87.00760	1.3
89.02328	3.2
95.01262	1.3
96.95917	0.6
97.02801	0.5
99.00780	0.9
101.02321	7.2
110.47811	0.4
113.02321	3.1
119.03397	1.2
125.02348	1.1
141.12737	2.0
149.76160	0.4
155.14299	1.6
169.01340	1.6
183.13872	2.8
201.14899	27.9
202.15120	1.1
285.14963	0.5
301.18088	1.1
319.50842	0.5
345.19281	3.7
363.20276	100.0
364.20636	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	363.2541
Annotation	11-deoxy-16,16-dimethyl-PGE2
Peak:m/z	Relative Intensity
52.60640	0.6
96.95875	0.6
98.20559	1.8
100.90804	0.6
160.53986	0.7
160.97557	0.6
169.68048	0.6
183.35931	0.6
196.42114	0.6
301.25406	6.3
319.26413	31.2
320.26736	2.3
345.24304	1.7
363.25409	100.0
364.25763	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	361.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09320	0.3
55.01753	1.3
57.03332	1.4
58.00459	1.1
59.01253	15.3
63.52082	0.3
68.99688	0.3
69.61403	1.1
69.61825	1.0
71.01256	15.9
72.99186	1.5
73.02817	4.4
80.32021	0.3
83.01266	3.7
84.02050	0.3
85.02826	7.8
85.99985	0.8
87.00771	0.8
89.02327	3.9
93.03347	0.4
95.01272	1.4
99.00779	1.8
101.02326	9.7
101.03005	0.5
103.57762	0.3
111.00776	0.8
113.02336	4.0
119.03381	0.9
122.03646	0.4
123.00731	0.4
125.02353	0.7
140.83331	0.3
141.09160	0.4
153.12709	0.5
159.02945	0.4
165.05544	0.4
179.03357	0.3
181.12263	1.6
197.72316	0.3
199.13324	7.5
200.13857	0.3
227.03442	0.3
315.08624	0.3
319.21338	0.4
343.17700	1.5
361.18689	100.0
362.14532	0.5
362.19043	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	361.275
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
56.69781	0.8
60.09360	0.8
60.22186	0.7
69.12544	0.9
71.48598	1.1
77.83844	0.8
90.91733	0.9
121.02782	0.9
179.02000	0.8
184.52763	0.9
251.11884	0.8
314.15335	0.9
317.28470	15.6
318.28784	1.5
361.27475	100.0
362.27866	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	363.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.1
76.41457	0.8
89.02364	0.9
132.02023	1.3
133.02885	1.4
135.00763	1.3
143.01237	1.2
145.02901	0.9
146.78072	0.8
147.00752	3.0
148.01576	2.3
149.02380	1.3
159.04446	1.6
159.41765	0.9
160.01544	2.4
161.02313	1.2
163.00261	1.7
163.03821	1.2
171.00786	4.6
171.04408	1.3
172.01595	3.2
173.02435	0.9
176.01100	1.7
177.01807	1.5
180.04213	1.1
187.00331	4.9
187.03915	2.0
188.01108	3.0
189.01778	2.6
190.02742	1.0
199.00308	7.6
200.01033	3.7
201.01903	0.9
201.99104	1.1
203.03389	1.0
209.28267	0.9
214.99812	13.0
215.03311	1.8
216.00606	10.7
216.04073	1.0
217.01285	4.7
219.02972	2.5
219.44781	0.9
226.99840	7.4
228.00568	1.5
229.01491	1.1
229.69250	1.2
230.99486	1.7
231.99959	1.2
238.41754	0.8
242.99313	6.7
243.02992	4.1
244.00053	9.7
245.00784	4.4
245.04503	1.4
248.03268	1.4
251.01816	1.1
254.99364	3.9
259.02560	1.0
259.99564	1.6
263.02023	2.8
264.02747	3.4
270.98874	23.2
271.99582	12.5
275.02054	1.6
275.05725	3.4
276.02460	1.0
287.01913	3.3
289.03577	1.2
293.41501	1.0
298.98245	2.7
299.98965	2.3
303.01459	23.8
304.02124	7.6
331.00885	13.5
337.09442	1.4
363.03580	100.0
364.04013	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	360.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	8.8
69.45021	10.5
71.01261	2.3
85.02837	1.3
93.03333	2.9
101.02326	1.8
106.47687	1.1
108.02052	6.8
111.04420	2.1
114.92487	1.6
127.03919	1.6
138.01871	100.0
139.02208	1.9
158.39417	1.1
173.04498	2.3
186.04211	1.3
191.05582	3.6
198.99902	1.7
199.09723	1.3
251.07671	1.7
272.63391	1.2
307.93765	1.2
321.65308	1.5
361.09650	1.6
361.14935	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	359.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.6
59.01254	22.2
62.16307	0.7
63.65066	0.7
65.03835	2.2
67.44515	0.7
69.03323	2.7
71.04890	2.3
71.55821	1.0
93.06974	6.7
93.80560	0.9
123.53486	0.8
137.05974	17.5
139.07550	100.0
140.07893	3.6
155.07050	5.5
165.05171	1.6
174.43718	0.9
177.05206	2.1
201.02371	1.4
209.04205	1.4
215.07056	0.8
217.00203	3.6
221.07881	3.6
245.75067	0.9
255.94298	0.8
277.18030	1.6
284.34943	0.8
299.12854	1.4
299.16196	2.6
313.53595	0.9
345.25085	1.0
359.14685	5.4
359.22046	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	359.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62009	0.7
54.26935	0.7
58.24916	0.8
59.01254	22.9
85.91418	0.7
142.25270	0.8
179.52341	0.8
191.54242	1.0
229.55557	1.0
277.21732	100.0
278.22061	8.5
296.95218	0.9
359.22046	12.0
360.22842	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03433	0.4
50.91801	0.4
57.03043	0.8
57.03325	14.6
59.01243	1.4
64.74557	0.5
69.03325	2.5
69.67112	1.9
69.67544	1.4
71.04897	1.3
71.49001	0.5
74.02398	0.4
74.95051	0.4
82.84682	0.4
83.04905	0.9
85.02837	1.3
85.06443	0.8
97.06454	0.5
99.08057	0.6
109.06436	1.2
111.08064	4.3
113.09589	1.4
115.66387	0.4
122.87613	0.4
125.09607	1.7
127.10271	0.9
127.11184	15.0
128.11520	0.6
137.09627	17.5
139.11165	0.5
149.09561	0.6
153.12762	7.7
155.10686	23.3
156.11060	0.9
157.12250	6.5
167.10634	0.7
171.13780	1.0
183.13846	2.6
186.12527	1.7
201.14906	26.8
202.15254	1.3
229.14491	2.8
230.15198	11.0
231.15771	1.2
262.14182	1.0
313.23767	1.1
327.08994	0.5
341.26929	1.9
357.26520	1.4
359.28021	100.0
360.28366	10.8
360.32590	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09943	0.6
53.29540	0.6
59.01215	0.6
62.10498	0.6
63.02267	0.7
65.99724	1.3
84.80010	0.6
107.01217	0.7
119.04881	0.6
120.90578	0.6
145.02829	1.5
147.04341	0.8
148.01546	1.1
149.02316	1.0
155.03378	0.9
160.01570	1.9
161.02281	1.7
163.03912	1.2
172.01535	3.0
173.02295	2.0
175.03955	1.1
176.01070	0.7
177.01791	0.7
183.10226	6.9
184.10536	3.2
187.00195	0.7
188.01051	1.8
189.01860	2.9
190.02635	3.1
191.03416	2.6
200.01073	3.1
201.01851	2.6
205.01257	0.7
208.07622	0.6
208.93466	0.8
213.01730	1.1
215.03506	1.3
216.00580	7.0
217.01270	3.0
218.02127	2.2
219.02896	1.0
228.00526	4.2
228.02650	0.7
229.01332	4.5
230.99411	1.0
231.99901	1.0
233.00876	1.8
241.01393	1.1
242.99333	2.3
243.03027	2.1
244.00110	9.5
245.00859	6.1
246.01579	3.1
247.02492	6.8
256.00134	0.8
257.00854	4.0
261.00372	1.3
268.02484	1.6
269.00937	2.1
270.04007	1.2
270.98889	4.7
271.99634	7.4
273.00421	10.9
274.01138	12.1
282.98819	2.1
285.00369	1.3
286.03693	0.8
296.02072	4.6
298.98102	4.2
299.01224	1.0
299.99109	100.0
300.99765	24.9
302.00204	1.6
312.01578	0.7
312.99741	1.5
314.03082	5.5
315.00504	2.4
316.99368	2.7
318.00079	7.4
340.00919	17.3
341.01111	1.4
358.02014	24.3
359.02380	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	359.0984
Annotation	PD 169316
Peak:m/z	Relative Intensity
59.01248	4.5
71.01250	4.0
72.99189	0.9
73.02814	1.9
79.01763	1.1
83.01295	1.3
85.02828	3.0
95.01295	2.8
97.02784	1.2
101.02324	4.5
107.01267	2.6
111.00768	3.6
113.02328	1.2
123.00786	13.6
125.02359	12.4
129.01810	1.0
135.04440	1.2
136.98660	1.3
139.00319	4.5
140.01041	3.9
141.01883	2.2
151.00278	10.3
163.04012	0.9
168.00563	5.1
169.01338	14.8
179.03448	1.4
191.05511	1.3
194.00977	0.9
228.04488	0.9
229.64365	1.0
260.71411	0.8
265.03644	1.0
334.17905	1.0
349.28342	0.9
359.09836	100.0
360.10236	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	357.2647
Annotation	16,17,18,20-Tetrahydroxy-10,11,14,15-tetrahydronerylgeraniol
Peak:m/z	Relative Intensity
53.44743	1.5
56.59629	1.3
57.03326	21.4
58.00460	4.5
59.01253	7.7
61.49749	1.6
64.50438	1.6
69.03323	5.2
70.91525	3.7
71.01239	3.5
71.04877	6.4
72.02042	1.6
73.02822	3.3
83.04888	2.7
85.06477	5.0
87.04383	11.9
88.36858	1.4
93.06987	10.9
95.04942	1.9
97.06467	5.7
99.08019	3.0
101.05876	1.5
109.06460	1.9
111.08048	1.7
121.02842	11.0
121.10104	6.1
123.08078	2.6
125.09637	10.6
127.11180	22.8
132.04428	2.9
135.11688	4.3
136.07568	4.4
137.09584	3.1
139.11189	29.2
141.12822	9.0
151.11185	14.7
153.12729	4.3
155.10713	8.1
157.10953	2.5
157.12259	46.8
158.12675	2.4
163.11209	6.2
165.12808	2.1
169.12263	10.2
171.13795	5.6
173.11784	8.0
181.12314	8.2
182.12640	1.5
183.13823	3.9
185.11763	6.8
186.12540	20.9
187.13324	32.0
199.13336	33.2
201.14920	31.3
226.15717	2.2
227.16492	6.5
228.13640	4.8
258.62674	1.5
274.91766	1.6
284.87634	1.6
285.22247	1.8
291.23398	3.0
297.24365	25.2
298.24667	3.5
302.00061	2.7
303.23254	6.2
309.24350	16.4
310.24808	3.0
321.24377	17.4
325.11893	2.5
327.25351	1.8
339.25418	21.5
357.09842	2.2
357.26456	100.0
358.26874	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.6
57.03316	3.8
58.00462	4.1
59.01256	98.9
60.01588	1.1
65.22073	1.1
71.01260	100.0
71.57517	1.8
72.01577	1.2
72.99192	7.2
73.02827	13.8
83.01276	7.6
85.02825	26.7
86.00018	1.1
87.00764	3.8
89.02325	73.7
90.40903	1.1
93.03347	1.5
95.01289	6.2
96.77157	1.3
97.02811	1.2
98.51440	1.2
99.00772	4.3
101.02329	58.0
111.00837	0.9
113.02338	37.2
119.03394	28.4
125.02346	1.7
129.01840	1.2
131.03450	1.7
133.10143	1.3
137.02345	3.6
143.03436	5.1
149.04434	1.7
159.02872	3.4
161.04477	22.2
173.77295	1.1
177.09138	20.2
178.09496	1.2
179.05495	4.6
194.19499	1.1
195.10236	6.4
205.03453	1.4
303.57697	1.2
357.11710	3.8
357.15665	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84678	0.4
57.03327	1.4
59.01257	0.6
64.28619	0.4
65.24698	0.4
69.03336	1.4
69.24449	4.4
69.24860	1.0
71.01259	0.6
71.04883	0.8
81.03319	0.7
83.04909	1.7
84.33959	0.4
85.02869	0.5
85.06472	1.0
93.03342	3.6
97.81777	0.5
100.04263	0.5
107.08561	2.9
108.02089	0.6
111.04404	4.2
117.03284	0.6
121.10127	1.5
129.01857	0.6
130.75851	0.4
132.02060	0.7
133.02858	0.6
134.03624	0.8
137.02335	0.7
139.11185	2.6
140.11552	0.6
145.02827	0.9
147.00792	0.7
147.04482	0.5
148.01585	0.5
149.02382	0.5
155.03426	3.9
160.01556	0.7
161.02295	1.0
163.03943	0.6
172.01575	1.7
173.02321	0.6
173.04482	7.4
175.03937	0.8
177.01796	0.5
183.10208	100.0
184.10539	5.4
185.02451	0.7
187.00175	0.6
188.01106	0.8
189.01805	1.4
190.02632	1.8
191.03458	1.1
195.06590	0.6
199.00174	0.5
200.01080	1.4
201.01917	1.2
202.02609	0.5
204.00568	0.7
205.01247	0.8
216.00571	3.1
217.01270	1.8
218.02139	1.2
226.99933	0.6
228.00623	1.1
229.01338	2.0
230.01704	0.7
230.99286	0.9
231.99947	0.9
233.00778	1.1
241.01436	0.6
242.99385	1.9
243.03027	0.7
244.00089	3.4
245.00902	4.9
246.01569	1.3
247.02428	1.7
255.99983	0.5
257.00949	1.9
258.01266	0.5
259.99509	0.7
261.00247	1.6
270.98840	2.1
271.99588	3.7
273.00369	5.6
274.01184	4.2
284.99966	0.5
287.98926	0.7
288.99670	0.8
296.01968	1.4
298.98029	2.4
299.99112	39.8
300.99838	8.9
302.00146	3.4
303.00497	0.6
312.99799	0.8
313.79556	0.5
314.02872	1.0
315.00131	1.0
315.98651	0.6
316.99088	3.4
318.00140	1.4
340.00946	7.1
357.00891	1.8
357.04767	0.7
357.15637	3.5
358.02042	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	356.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05531	5.1
54.39724	5.8
59.01273	8.5
63.02266	10.3
64.15047	6.4
65.00193	6.1
71.57285	8.0
83.01254	10.8
85.24699	5.4
93.03354	6.9
95.01247	9.4
107.01283	13.8
109.02811	9.5
110.00003	14.1
111.00765	7.6
116.68874	5.5
121.02840	6.1
123.00756	12.3
125.02326	11.7
139.00276	20.1
141.10292	6.1
149.02315	16.7
151.00261	45.4
152.01019	8.1
161.02351	17.9
162.01797	7.8
163.00284	8.0
164.01048	9.6
165.98952	16.3
166.99825	21.6
173.04434	7.3
176.03448	11.7
177.01833	10.5
178.99811	47.8
183.10187	11.4
186.01926	10.9
192.00671	7.3
193.01312	20.3
193.98489	6.3
194.99261	8.8
198.01848	9.2
202.01445	16.0
204.02885	8.1
214.01332	14.6
218.00807	7.2
242.02098	7.5
255.02936	8.8
258.25998	6.2
271.02533	20.1
287.01971	11.5
288.02414	8.6
299.01959	14.3
300.99866	58.9
301.03436	15.3
310.03354	8.4
311.01929	18.7
314.11432	7.1
315.98596	14.8
316.02145	93.1
317.02658	7.8
320.01700	6.9
328.04553	10.0
329.02942	19.5
338.03009	31.7
356.00153	10.9
356.03995	100.0
356.07443	8.9
357.04660	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	356.0411
Annotation	Aristolochic acid IVa
Peak:m/z	Relative Intensity
53.05531	5.1
54.39724	5.8
59.01273	8.5
63.02266	10.3
64.15047	6.4
65.00193	6.1
71.57285	8.0
83.01254	10.8
85.24699	5.4
93.03354	6.9
95.01247	9.4
107.01283	13.8
109.02811	9.5
110.00003	14.1
111.00765	7.6
116.68874	5.5
121.02840	6.1
123.00756	12.3
125.02326	11.7
139.00276	20.1
141.10292	6.1
149.02315	16.7
151.00261	45.4
152.01019	8.1
161.02351	17.9
162.01797	7.8
163.00284	8.0
164.01048	9.6
165.98952	16.3
166.99825	21.6
173.04434	7.3
176.03448	11.7
177.01833	10.5
178.99811	47.8
183.10187	11.4
186.01926	10.9
192.00671	7.3
193.01312	20.3
193.98489	6.3
194.99261	8.8
198.01848	9.2
202.01445	16.0
204.02885	8.1
214.01332	14.6
218.00807	7.2
242.02098	7.5
255.02936	8.8
258.25998	6.2
271.02533	20.1
287.01971	11.5
288.02414	8.6
299.01959	14.3
300.99866	58.9
301.03436	15.3
310.03354	8.4
311.01929	18.7
314.11432	7.1
315.98596	14.8
316.02145	93.1
317.02658	7.8
320.01700	6.9
328.04553	10.0
329.02942	19.5
338.03009	31.7
356.00153	10.9
356.03995	100.0
356.07443	8.9
357.04660	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	355.0882
Annotation	GlcAbeta1-6Galbeta
Peak:m/z	Relative Intensity
53.35741	8.4
55.01751	11.9
57.03340	9.8
59.01255	75.4
68.34287	10.1
69.39317	16.4
69.39721	65.9
71.01254	100.0
72.99188	66.2
73.02810	21.4
75.00753	29.7
81.36410	8.6
85.02824	39.0
87.00746	66.8
89.02341	53.4
99.00768	24.9
101.02309	64.9
105.01881	13.0
113.02340	57.7
115.00233	15.4
117.01832	19.6
119.03446	10.6
129.01854	19.4
129.46384	8.6
147.02921	17.9
159.04442	9.0
163.04013	13.8
175.02386	64.4
177.03955	13.0
179.05579	12.3
193.01408	20.7
205.05025	15.3
249.04153	12.1
265.05630	21.5
297.48816	10.1
337.01968	35.8
355.08887	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00979	2.8
59.01239	14.8
69.55823	19.2
93.03355	4.2
98.20532	3.4
103.73196	3.4
119.04927	4.1
121.02850	100.0
122.03189	3.1
135.04425	4.2
138.03116	3.6
163.03899	3.1
170.10023	2.6
173.04457	17.1
179.07082	10.1
181.04994	89.9
182.05371	3.9
204.66580	2.5
220.70210	3.2
355.10312	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	355.228
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
59.01251	1.8
62.42019	1.6
62.97222	1.5
71.92667	1.8
74.08202	1.6
76.06688	1.7
85.02836	4.9
89.82983	1.6
90.29969	1.6
98.19765	3.7
107.04938	2.2
109.02837	3.2
122.03600	11.9
127.07536	2.3
135.04427	34.9
136.01569	4.0
147.08043	4.0
149.09616	11.8
151.07553	4.2
161.09628	9.2
163.07547	3.5
163.11203	60.7
164.08347	21.7
164.11472	4.0
165.09093	11.9
177.09137	89.8
178.09903	29.5
179.10701	94.7
180.11076	3.6
183.10207	3.2
191.10724	17.1
193.08640	11.0
240.17596	1.7
280.14835	4.2
298.15732	70.5
299.16272	6.2
307.16989	1.8
337.21741	53.6
338.22153	7.2
340.20425	97.5
341.20807	9.9
355.22812	100.0
356.23148	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	355.0824
Annotation	Tetracenomycin M
Peak:m/z	Relative Intensity
55.77861	0.1
65.00187	0.1
71.57157	0.2
71.57530	0.1
83.79389	0.1
86.75314	0.1
88.50726	0.1
93.03329	0.2
95.01227	0.1
106.04095	0.1
121.02849	0.3
121.06461	0.1
123.00757	0.2
124.01560	0.2
125.02306	0.2
131.04912	0.2
132.02121	0.1
133.02846	0.3
134.03610	0.1
137.02319	0.3
143.04849	0.2
145.02852	0.4
146.03606	0.3
147.04404	0.2
149.02333	0.4
150.03130	0.1
155.04942	0.1
157.02870	0.1
158.03635	0.2
159.04405	0.3
160.01532	0.2
161.02350	0.5
161.05960	0.1
162.03058	0.2
163.00266	0.1
164.01077	0.1
165.01836	0.4
167.04950	0.1
169.06505	0.1
170.03677	0.1
171.04414	0.3
172.01567	0.3
172.05243	0.1
173.02342	0.6
174.03133	0.9
175.00206	0.1
175.03928	0.2
176.01064	0.5
177.01845	1.5
178.02562	0.2
178.99794	0.2
180.05705	0.1
181.10191	0.1
182.03601	0.2
183.04399	0.3
184.01604	0.2
184.05222	0.1
185.02339	0.4
185.06004	0.1
186.03145	0.4
187.03874	0.4
187.07674	0.1
188.01125	0.2
189.01872	1.2
190.02654	2.8
191.03261	0.2
192.00560	0.4
193.01358	3.7
194.01721	0.1
195.04445	0.3
195.08075	0.1
196.05220	0.4
197.02385	0.2
197.05988	0.4
197.09645	0.1
198.03084	0.6
199.03983	0.4
199.99387	0.1
200.01068	1.3
200.04704	0.3
201.01825	0.9
202.02657	2.0
203.03413	0.9
203.07162	0.1
204.00546	0.3
204.04076	0.1
205.01355	1.0
207.04475	0.2
208.05238	0.3
209.06012	0.3
209.09583	0.1
210.03140	0.3
210.06433	0.1
211.03970	0.5
211.07542	0.1
212.01067	0.2
212.04706	0.3
213.01866	0.8
213.05429	0.2
214.02614	1.1
215.03423	0.8
215.10768	0.2
216.00592	0.4
216.04195	0.6
217.01314	0.7
218.02155	2.4
219.02596	0.2
221.00859	5.6
221.05949	0.2
221.09616	0.2
222.01474	0.6
222.06772	0.3
223.03998	0.6
223.07590	0.3
224.04713	0.7
224.08072	0.1
225.01923	0.2
225.05461	0.7
225.09079	0.4
226.02681	0.6
226.06317	0.2
227.00061	0.1
227.03450	1.9
227.10709	0.2
228.00598	2.0
228.03964	0.5
229.01361	1.7
230.02126	1.5
230.99213	0.2
231.02928	0.9
233.00992	0.1
234.01530	0.1
235.04007	0.5
235.07668	0.1
236.04640	0.2
237.05573	0.8
237.09187	0.4
238.02641	0.3
238.06279	0.4
239.03418	0.7
239.07022	0.2
239.10789	0.2
240.00673	0.2
240.04242	0.7
240.07777	0.1
241.01399	0.7
241.05005	0.9
241.08589	0.2
242.02170	2.6
242.05843	0.2
243.02940	1.5
243.10207	0.2
244.00142	0.2
244.03638	0.4
245.00879	1.6
246.01712	0.9
249.05682	0.5
250.06232	0.4
251.03471	0.8
251.07083	0.3
252.04216	0.6
252.07878	0.2
253.01334	0.4
253.05054	1.2
253.08618	0.5
254.02211	0.8
254.05719	0.5
255.02928	1.2
255.06485	0.3
255.10213	0.5
256.00143	0.5
256.03696	0.7
257.00903	2.8
258.01663	3.1
259.02414	1.6
260.02942	0.1
263.03485	0.8
263.06299	0.1
263.07315	0.1
264.04178	0.3
265.05072	0.6
265.08292	0.5
266.02219	0.4
266.05542	0.5
266.09503	0.1
267.03000	0.8
267.06412	0.5
268.00516	0.2
268.03714	0.4
268.07132	0.2
269.00928	0.5
269.04517	0.8
269.08118	0.2
270.01678	0.6
270.05060	0.2
271.02454	1.7
271.09656	0.6
272.03125	0.5
273.00418	2.6
274.01175	29.1
275.01547	1.9
277.05014	0.5
278.05655	0.1
279.03006	2.5
279.06171	0.2
280.03708	1.0
281.00986	0.4
281.04523	2.1
281.08157	1.6
282.01678	1.0
282.05179	0.6
282.08331	0.2
283.02509	2.6
283.05746	0.1
283.09622	1.2
284.03256	1.9
285.00424	0.8
285.03513	0.2
286.01224	0.8
286.98694	0.2
287.01941	2.7
288.02673	1.1
291.03055	0.2
291.06561	0.3
292.03674	0.1
293.04553	1.2
293.08160	0.5
294.01877	0.2
294.05246	0.5
295.02368	0.4
295.06091	0.4
296.03436	0.2
296.06644	0.2
297.04025	0.8
297.07593	0.3
298.01172	0.2
298.04770	0.4
298.08096	0.1
299.01950	4.8
299.09177	1.0
300.02679	2.7
300.99792	0.4
301.03299	0.4
305.04614	0.2
307.02466	0.6
307.05899	0.2
308.03244	2.2
308.06424	0.1
309.03983	1.6
309.07697	3.8
310.04596	0.2
310.08179	0.4
311.02151	0.6
311.05981	0.2
311.09167	0.9
312.02771	2.0
313.03088	0.2
313.07037	0.2
319.06165	0.2
321.04013	0.1
322.04770	0.6
323.05624	1.1
325.03534	3.2
325.07352	0.2
326.04303	1.5
326.07782	0.2
327.08670	1.1
336.06262	0.1
337.07162	4.4
338.07816	1.6
339.04782	0.2
340.05725	0.6
354.07565	0.1
355.08215	100.0
356.08545	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	353.2119
Annotation	Guayulin B
Peak:m/z	Relative Intensity
79.95605	1.9
96.95889	14.1
98.19771	0.9
122.97459	0.7
124.25953	0.3
128.49579	0.4
147.08096	0.4
149.96704	0.3
161.06044	0.4
163.11197	91.1
164.11508	4.7
177.09128	65.3
178.09492	3.9
183.01160	0.4
189.20888	0.4
191.16464	0.3
197.02699	1.0
222.08971	0.6
353.21170	100.0
354.21521	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	355.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03962	1.1
59.01256	2.7
59.60081	1.4
64.30833	1.2
67.36870	1.4
69.54186	10.1
71.01247	1.3
71.46202	1.2
76.65413	1.3
91.05429	1.6
93.03311	3.3
99.00740	6.3
105.03340	3.7
105.06974	2.6
107.04897	3.8
109.02853	1.6
109.55431	1.2
111.00766	2.6
113.02314	1.7
117.03345	1.5
119.04917	4.3
121.02832	5.4
121.06467	5.9
123.04384	3.9
125.02346	3.3
131.04936	1.9
133.06485	16.6
134.06804	1.4
135.04399	10.6
137.02362	6.7
138.03111	16.2
143.04938	2.4
145.02850	7.6
146.03598	2.4
149.02342	20.0
149.06003	6.8
150.02954	1.2
151.03925	15.4
151.07532	5.5
159.04459	13.1
161.02351	2.4
161.06000	28.7
162.03195	8.4
162.06343	1.3
163.03915	40.3
164.04715	9.1
165.01817	3.8
175.03938	3.4
177.01947	2.6
177.05504	12.6
179.03452	2.2
179.07059	40.3
180.07484	2.4
181.03822	1.5
187.03960	17.1
188.04420	1.3
190.02536	7.5
191.03362	3.5
191.05516	3.5
192.05869	2.6
193.01352	48.6
193.06027	3.4
194.01691	3.1
203.03461	4.1
204.04248	1.7
205.05006	61.5
206.05342	4.5
219.02940	1.8
221.04514	2.2
223.06075	7.3
231.02896	2.7
233.01003	3.2
237.00331	5.6
249.04012	51.3
249.10063	1.4
250.04260	2.5
261.00333	1.5
265.05621	1.6
267.04977	3.0
275.01920	1.4
293.03021	11.0
311.04086	3.4
337.01993	100.0
338.02304	6.8
355.02896	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	2.3
59.01255	14.4
61.59371	1.9
70.33102	4.4
70.33495	3.8
71.01257	12.2
71.17770	1.8
73.02823	9.5
79.05389	2.8
83.04920	3.1
85.02805	6.1
89.02323	14.1
92.55115	1.9
93.03335	23.4
99.00755	5.7
99.04391	3.4
101.02321	2.7
105.06995	2.6
107.04903	3.2
109.02841	2.3
110.18429	2.2
111.00742	4.7
111.04414	12.8
113.02322	4.5
113.94454	2.0
115.05418	2.1
118.04184	2.4
119.03422	3.7
119.04965	2.4
121.02802	2.3
121.06486	8.0
131.04935	8.0
133.02858	2.5
133.06435	5.7
134.00961	2.2
134.03642	4.0
135.04417	25.9
137.02377	10.8
139.03839	3.1
143.03371	2.9
145.81477	2.1
147.04485	4.7
148.40454	2.3
149.05988	37.2
151.03835	3.7
155.03412	7.3
159.04407	18.7
161.02306	5.5
162.03149	18.5
163.03886	3.3
167.03439	3.4
173.04477	56.3
175.03969	10.6
177.05498	100.0
178.05733	5.6
179.03423	23.3
179.05623	3.0
191.03677	4.6
191.05536	32.0
193.04953	4.2
203.03433	14.3
206.02145	2.6
219.02899	2.5
221.04507	62.8
222.04842	3.0
235.02362	3.9
247.02469	12.6
265.03528	38.3
317.50763	2.5
353.01529	4.7
353.10950	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	353.0878
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
58.61264	0.8
59.01258	1.2
66.25060	0.7
71.05988	1.7
71.06321	0.9
72.20638	0.8
85.02841	4.0
87.00771	1.4
93.03356	1.9
95.99985	0.9
107.04922	1.2
111.04394	1.5
134.03627	2.6
135.04425	42.8
136.04773	1.5
161.02348	4.2
173.04463	3.9
179.03426	61.6
180.03743	2.3
191.05547	100.0
192.05792	2.8
353.08728	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	353.0877
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
52.04181	0.5
59.01268	0.9
71.01267	0.7
71.20582	1.2
74.56859	0.5
83.09906	0.5
85.02803	3.9
87.00726	0.8
93.03333	2.7
107.04926	0.9
107.90974	0.6
111.04390	2.2
116.59448	0.6
127.03884	1.1
133.02789	0.6
134.03644	3.9
135.04416	52.8
136.04739	1.7
149.43625	0.5
155.03409	1.2
160.05135	0.5
161.02339	3.9
173.04485	4.0
177.05458	1.0
179.03424	54.1
180.03773	4.0
191.05542	100.0
192.05908	4.0
195.94656	0.5
221.04573	1.0
353.08725	9.1
354.09290	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11108	1.5
58.00471	1.8
58.40381	1.5
59.01252	28.8
67.01756	3.7
68.99693	2.5
69.03334	1.7
70.31535	2.9
70.31934	3.5
71.01251	25.7
72.99178	5.2
73.02819	3.8
78.95766	4.8
79.05387	3.4
83.01256	2.6
83.04837	1.9
85.02813	6.3
87.00768	9.0
89.02322	12.7
93.03336	30.1
96.95856	2.6
97.24814	1.5
99.00747	2.4
99.04432	3.4
99.15938	1.5
101.02325	15.2
103.00266	1.9
109.02856	1.8
111.00787	3.0
111.04418	7.0
113.02328	14.3
119.03374	5.4
121.06463	3.6
126.98740	2.0
129.01851	5.4
131.03410	3.1
131.05020	1.6
137.02293	4.7
141.01825	1.6
143.03407	3.6
147.04379	2.7
149.05956	8.1
151.03896	2.0
152.00967	1.8
155.03352	4.3
159.04425	7.6
162.03113	9.9
163.02293	1.6
164.01027	1.3
173.04475	55.0
173.05989	2.7
174.04805	1.8
175.02504	2.5
175.03923	19.7
176.04536	1.8
177.05486	15.2
191.03647	1.6
191.05510	8.0
192.00580	5.3
193.01349	6.7
193.03273	1.5
203.03403	15.1
204.03607	1.7
205.01936	5.7
206.02138	2.7
219.02853	2.1
221.04526	30.6
221.81413	1.5
222.04977	2.4
247.02435	21.1
263.03943	1.7
265.03555	5.2
335.04785	2.2
353.10892	100.0
354.11206	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	351.254
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
54.69265	0.3
59.01238	1.2
65.46711	0.3
69.02946	0.4
69.03320	3.2
70.13307	1.5
71.01240	0.4
80.02546	1.9
81.03323	0.6
84.98027	0.3
93.61569	0.3
96.95866	0.5
100.94363	0.3
109.06572	0.3
121.06460	0.3
130.41302	0.3
133.02814	0.3
135.08023	0.7
137.09631	5.4
138.09947	0.4
147.70955	0.3
154.95590	0.3
176.94200	0.3
192.95705	0.4
259.20663	4.5
261.00354	0.7
261.22311	2.1
261.24811	0.4
279.23230	0.6
289.25366	40.6
290.25705	3.6
307.02750	0.4
307.26431	2.7
321.24246	0.8
323.05627	0.8
333.24338	3.1
334.25381	0.5
351.05164	1.0
351.25397	100.0
352.25714	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	351.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94960	0.4
53.23097	0.3
59.01239	0.4
61.29990	0.3
84.40055	0.4
95.40883	0.4
180.05728	1.0
182.03720	0.6
195.08101	1.0
207.04437	0.5
208.05153	1.6
210.03021	0.5
211.07729	0.5
219.04463	0.4
220.05211	0.7
221.02467	0.6
223.07549	2.1
226.02690	0.5
228.00595	0.5
229.28665	0.4
233.05946	0.6
234.03134	1.1
235.03947	1.8
235.07625	0.5
236.04509	0.6
239.07103	1.1
247.03944	0.8
249.01921	0.4
249.05586	0.5
251.07053	0.9
254.02126	0.6
256.00125	1.4
262.06104	0.6
263.03433	1.4
264.04272	2.4
266.02234	1.1
268.00092	0.6
269.00876	0.8
270.98782	0.6
277.04974	0.7
279.06564	3.7
281.00613	0.5
282.01724	3.4
289.04987	0.6
289.21658	0.4
291.03018	1.1
292.03799	0.7
293.00964	7.8
294.01517	1.6
295.06171	0.8
305.04623	0.5
306.05515	0.7
307.02512	33.6
307.06042	2.9
308.03146	8.7
309.00488	0.6
319.02454	0.8
321.03967	2.1
322.01230	7.9
322.04846	1.2
323.05588	81.3
324.05930	7.7
326.00208	0.5
333.04111	0.6
335.01999	7.1
336.02509	1.7
351.05090	100.0
351.21591	2.5
352.05444	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	349.187
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.10905	0.5
54.21253	0.5
55.01765	0.9
57.03325	0.9
58.00462	1.7
58.46331	0.6
59.01253	37.7
70.77586	0.5
70.89541	0.4
71.01253	22.6
71.06670	0.6
71.06998	1.3
72.99187	2.3
73.02824	1.5
75.00769	0.7
83.01271	2.0
85.02826	5.3
87.00752	1.7
89.02321	17.6
95.01273	1.6
99.00741	0.7
101.02327	14.2
113.02352	6.7
117.13742	0.6
119.03385	5.8
123.00819	0.5
139.11176	1.1
141.12759	31.2
142.13055	1.5
150.06747	0.7
152.05212	0.5
155.14401	0.5
169.12268	6.3
171.13789	1.8
179.05594	0.7
183.13837	3.3
187.13321	69.9
188.13664	2.8
229.14301	1.3
237.43965	0.5
297.13992	0.7
349.18658	100.0
350.15079	0.9
350.19012	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	349.2383
Annotation	13,14-dihydroxy-11-mulinen-20-oic acid
Peak:m/z	Relative Intensity
55.01171	0.4
55.88603	0.4
57.03306	0.6
58.35596	0.4
59.01233	0.7
69.03317	0.9
70.85975	1.2
71.01259	0.6
132.87064	0.5
193.15884	0.6
203.14442	0.4
223.56337	0.5
264.17291	0.5
271.20639	1.9
277.21704	1.0
287.23798	14.7
288.24121	1.6
289.21747	1.1
305.21704	1.8
305.24838	50.7
306.25131	5.4
331.22913	3.9
338.38156	0.5
349.23816	100.0
350.20102	0.9
350.24161	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	351.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.5
69.92233	2.2
77.48547	0.4
84.15554	0.5
121.74081	0.3
125.02332	0.4
138.23981	0.4
154.04150	0.4
180.05818	1.0
182.03635	0.6
184.94801	0.4
191.04887	0.8
195.08084	0.9
198.03334	0.4
205.06339	0.4
207.04475	0.6
207.08171	0.5
208.05270	1.8
210.03154	0.5
223.07555	1.9
226.02562	0.6
233.06006	0.8
234.03236	0.8
235.03973	1.7
235.07608	0.6
236.04678	0.5
238.02771	0.8
239.07150	1.1
247.04001	0.7
251.07198	0.8
254.02284	0.4
256.00119	0.7
261.05490	0.5
263.03558	1.2
264.04269	2.6
265.04840	0.6
266.02148	0.9
267.02713	0.4
267.06470	0.9
268.00208	0.7
269.00919	1.4
277.05109	1.1
278.05634	0.5
279.03778	0.4
279.06598	2.9
282.01654	4.4
291.03055	1.4
292.03693	0.8
293.00922	7.5
294.01443	0.9
305.04663	0.6
306.01880	0.7
306.05197	0.9
307.02509	34.2
307.06030	2.8
308.03140	8.8
309.03577	1.0
319.02432	0.6
321.04041	3.9
322.01166	8.8
322.04520	0.8
323.05591	80.2
324.05890	6.4
333.04053	1.2
335.01956	8.1
336.02515	1.1
351.05078	100.0
352.05386	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	349.1869
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
57.03338	2.6
58.00462	4.9
59.01254	100.0
65.00198	1.7
71.01257	70.3
71.12290	1.5
72.99190	5.6
73.02808	2.8
83.01269	4.0
85.02824	15.6
87.00745	3.0
89.02321	66.3
90.02678	1.7
95.01247	4.0
99.00732	3.6
101.02328	49.7
101.03000	2.4
113.02326	27.4
116.58933	2.1
119.03397	33.3
123.00755	1.9
125.02338	3.6
131.03418	3.5
141.12830	2.1
143.03401	3.5
149.02400	2.6
151.00284	1.8
161.04501	2.8
169.12233	5.2
177.01878	2.0
178.99800	2.6
179.05518	2.1
183.02856	2.4
187.13335	4.5
193.01274	1.5
202.99886	3.1
205.01381	2.9
206.99315	2.2
226.67876	1.8
233.00996	2.0
261.00446	2.8
275.01935	2.1
276.99753	2.5
349.18735	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1865
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
50.69283	1.8
55.01750	2.8
57.03320	5.3
58.00467	5.6
59.01250	91.0
69.03313	2.2
71.01257	100.0
71.05809	3.8
72.99186	5.3
73.02829	12.6
73.03915	4.9
78.25108	2.3
79.96712	1.7
80.69861	2.7
82.02855	2.5
83.01264	7.8
85.02826	30.2
87.00745	5.9
87.04365	2.3
89.02319	76.8
90.02677	2.4
95.01262	4.7
96.04424	3.6
98.02334	3.7
99.00747	5.5
101.02323	70.5
102.98485	3.0
111.05520	2.4
112.03957	4.0
113.02331	41.0
116.21654	2.1
118.93093	2.3
119.03394	32.8
125.02297	2.6
131.03430	4.8
136.29373	2.0
139.05032	9.4
139.59090	1.9
143.03398	6.3
147.04404	7.8
149.04500	2.3
155.04535	3.4
159.02902	4.8
161.04472	20.8
164.07079	9.3
166.01349	3.0
169.01363	3.0
174.05486	2.7
177.10291	3.2
179.05475	11.0
187.03928	3.2
187.13312	11.2
188.13533	2.0
202.06367	4.9
217.08702	3.2
218.02072	2.5
243.11351	3.1
245.00859	2.4
287.10364	8.8
303.09854	6.7
331.09415	4.8
349.06195	2.7
349.10120	10.0
349.14780	4.3
349.18710	39.7
350.18909	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	348.9837
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39378	4.6
59.01249	10.9
65.00187	6.2
69.85129	24.0
71.01254	5.7
89.02304	5.5
91.01768	5.2
93.03344	10.5
101.02287	6.8
105.03349	11.3
107.01251	6.1
117.03391	6.0
119.01290	9.9
121.02830	22.4
123.04410	4.8
125.02295	8.7
131.01245	9.7
133.02872	22.2
139.00262	10.3
145.02914	10.2
147.00755	20.1
149.02370	49.3
151.00174	6.0
154.99736	5.7
159.00789	13.5
160.01546	5.5
161.02409	25.7
161.03552	4.7
163.00284	7.0
163.66414	4.3
164.01053	5.8
169.01271	5.7
174.02145	4.6
175.00308	17.4
175.03943	6.7
176.01123	5.9
177.01855	63.3
178.99706	6.2
179.03410	7.0
181.90005	4.6
187.00311	21.8
189.01894	13.2
190.02606	5.5
190.99771	5.6
193.01375	8.7
194.99706	5.3
202.99799	34.5
204.00548	5.9
205.01372	62.5
206.99280	7.0
214.99820	21.2
218.99344	5.5
221.00992	10.2
223.02434	7.8
229.01353	9.0
230.99316	25.9
231.99698	5.7
233.00967	31.4
234.99283	5.3
242.99382	6.8
246.98785	31.7
249.00427	11.9
257.00833	9.2
258.98779	20.1
261.00415	59.6
261.97723	5.0
262.00848	4.8
264.99683	7.0
274.98349	18.0
275.99100	26.8
276.99863	96.3
286.98404	37.9
292.99432	10.4
299.98926	11.1
300.99881	100.0
302.97696	9.2
304.99377	20.2
305.02588	6.5
319.00800	5.5
331.00995	5.7
348.98352	45.9
349.02002	11.6
349.99039	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	347.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07317	22.8
52.81577	24.5
59.01242	51.7
71.01265	67.2
71.56087	31.6
71.57101	30.5
73.02841	43.4
78.20018	25.5
85.02832	63.6
93.03345	100.0
99.00746	31.0
111.04414	35.1
111.10426	30.1
112.98689	36.0
119.04893	58.7
124.98717	30.1
142.99796	85.8
173.00838	38.7
173.04449	95.9
192.42328	28.9
199.00598	30.5
246.34328	26.1
264.96924	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1712
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01766	5.2
57.03331	6.6
59.01257	38.9
61.76106	1.8
66.92661	1.8
71.01255	100.0
71.56866	3.8
72.01601	2.0
72.99196	5.9
73.02823	27.3
81.41194	1.7
83.01265	11.5
85.02825	43.6
87.00740	5.2
89.02327	19.8
89.02834	2.5
95.01255	6.1
97.02840	2.8
97.06496	7.4
99.00798	11.0
101.02328	64.9
113.02345	40.4
119.03423	7.8
131.03424	2.0
139.00313	3.5
143.03416	5.3
159.02841	9.9
161.04465	59.8
162.41420	1.9
166.99792	6.6
169.01404	1.8
179.05664	2.6
205.03523	2.7
235.08241	8.4
254.00179	2.2
277.12967	6.4
345.35489	2.2
347.07767	2.6
347.17084	8.7
355.60611	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	345.0252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95695	0.4
56.72299	0.6
59.01248	0.6
63.87308	0.4
71.01270	1.1
83.78013	0.5
98.20572	1.1
123.00780	0.6
143.04958	0.8
145.06519	1.2
155.04964	1.3
158.03650	0.8
161.02504	0.7
161.05966	0.9
162.74115	0.5
166.99731	0.8
167.04903	1.3
169.01357	0.5
171.04494	2.8
173.05997	2.1
174.03073	0.6
177.01826	0.8
182.03677	0.8
183.04442	2.3
185.06009	1.7
186.03166	0.5
187.03922	0.6
189.05434	1.2
198.03201	1.2
199.03947	4.1
201.05501	3.6
202.02744	1.2
203.40833	0.5
205.01424	0.6
211.03992	3.8
213.01772	0.5
213.05391	0.5
214.02625	1.5
215.03348	0.5
216.04250	1.2
217.04999	4.7
226.02625	0.7
227.03453	9.4
228.04070	0.7
229.04984	6.3
230.02133	0.9
239.03444	1.5
242.02126	1.1
243.02994	0.9
245.04517	4.8
254.02217	0.7
255.02962	19.9
256.03470	1.9
257.01068	0.7
257.04501	1.9
258.01642	2.0
259.02527	2.9
272.03250	1.6
273.03995	7.5
274.01172	1.2
282.07483	0.5
283.02481	15.2
284.03204	7.0
300.02744	0.8
301.03522	100.0
302.03882	8.3
312.22348	0.5
326.97586	0.7
345.02481	34.6
346.02789	3.4
346.11771	0.8
357.97153	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50686	0.2
59.01240	1.4
62.97223	0.3
69.47795	0.4
69.48128	2.7
71.01249	0.7
79.95609	6.1
79.97174	0.3
89.02317	0.3
93.03317	0.5
101.02306	0.5
107.04908	1.0
117.47666	0.3
119.04917	100.0
120.05250	4.3
121.10102	0.9
135.04417	13.9
136.04767	0.6
163.03918	6.7
165.09091	1.2
168.95734	0.3
174.80499	0.3
183.10165	0.6
199.00636	40.1
200.00983	1.8
215.00142	20.8
216.00481	0.6
242.99637	3.3
345.06479	22.2
345.15414	1.2
346.06805	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	345.1093
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
52.23874	0.8
57.72697	0.8
59.01239	2.6
61.29300	1.0
69.40305	2.8
69.40716	5.8
71.01251	3.4
85.02827	1.5
89.02331	1.2
95.03625	2.8
96.08050	0.9
98.19864	2.1
104.04915	1.2
106.06511	6.1
113.02336	1.7
120.04398	1.2
122.05963	2.5
124.07581	7.3
132.04449	36.9
133.05246	20.9
134.06023	7.7
135.06390	1.1
139.00261	1.0
146.61191	1.0
148.03944	2.5
150.05539	1.2
162.73849	1.0
165.04234	22.6
173.04572	1.0
176.03362	1.8
177.04285	3.2
178.04987	1.3
183.10281	1.2
184.07594	1.3
185.08417	1.8
186.09186	5.3
187.08646	1.0
198.09157	1.0
209.03210	5.7
213.06590	4.3
214.12314	8.7
215.11798	7.1
226.07388	1.9
229.09837	4.2
240.10233	2.2
241.09988	5.0
241.12071	0.9
257.08755	1.3
257.12930	31.7
258.13205	2.0
283.10904	10.5
300.99936	1.6
301.11942	23.3
302.12265	2.2
326.97800	2.4
327.09924	1.6
345.10895	100.0
346.11298	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2489
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
52.64724	0.6
57.03327	0.7
58.33651	0.7
59.01245	4.1
60.43261	0.7
65.57218	0.8
69.03327	1.8
69.44670	3.6
69.45094	2.8
71.01251	1.1
72.75064	0.8
73.69712	0.7
74.49668	0.7
76.18387	0.6
76.83878	0.7
82.97356	0.7
83.04890	1.5
97.06482	1.1
99.08031	10.5
102.20372	0.7
121.10131	2.5
123.08056	0.7
125.09657	1.8
127.11165	1.1
137.09583	2.1
139.11139	0.8
149.13330	1.3
149.74280	0.7
165.12794	1.1
171.10188	21.2
172.10551	1.4
174.46611	0.7
175.11221	1.1
191.40775	0.7
193.12277	16.6
201.02431	1.2
211.13332	3.2
225.14903	27.8
226.15277	1.4
243.15976	8.6
249.99133	0.7
293.21234	2.2
311.22318	1.2
328.02106	0.8
339.54108	0.9
343.24884	100.0
344.25238	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	344.9888
Annotation	Unknow
Peak:m/z	Relative Intensity
68.15568	1.2
71.01248	2.3
73.35986	1.1
91.83511	1.0
115.00257	2.2
116.50388	1.1
117.03343	1.8
119.04925	1.6
129.03299	1.9
135.04391	2.1
139.00247	2.8
143.01306	1.6
145.01814	1.1
145.02817	6.0
147.00780	1.5
157.02866	2.8
159.00739	2.0
161.02347	1.6
163.03893	3.4
171.00734	10.8
173.02365	5.1
173.04486	1.8
183.00735	1.3
185.02364	7.7
187.00288	5.3
189.01830	2.1
191.05505	3.5
199.00323	8.8
200.01001	2.8
201.01904	5.9
211.00317	1.3
214.99747	9.8
216.00496	1.4
217.01292	2.0
220.99844	1.0
226.99806	11.3
227.07108	4.8
229.01364	7.6
242.99318	22.4
243.99876	1.6
245.00821	3.0
254.99261	6.5
255.10068	1.4
257.00888	3.3
270.98834	41.9
271.99185	2.3
282.98798	2.4
283.99692	8.6
298.98349	19.6
299.98965	7.4
300.99872	95.4
302.00232	6.2
326.97803	100.0
327.98148	8.9
344.98856	38.0
345.99203	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	343.067
Annotation	Theogallin
Peak:m/z	Relative Intensity
54.70190	1.0
59.01270	2.2
59.73873	0.9
61.72713	1.1
67.01769	1.6
69.03329	1.7
70.33261	4.3
71.01261	2.1
73.94736	1.1
80.09747	1.0
85.02825	4.7
87.00743	1.4
89.02312	1.3
93.03323	11.4
99.60777	0.9
107.01263	6.2
111.04386	1.1
125.02337	36.6
126.02701	1.8
136.34984	1.1
137.02344	2.9
155.03387	2.7
169.01341	100.0
170.01651	3.5
173.04469	26.7
186.65341	1.1
189.10413	1.2
191.05545	18.3
211.02600	1.3
263.57675	1.1
330.69922	1.2
342.35269	1.2
343.06696	19.1
350.64981	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1032
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
57.58611	1.3
59.01249	17.2
71.01235	1.3
72.96775	1.4
87.87990	1.3
89.32632	1.1
92.26990	1.4
109.02861	7.0
109.06519	3.2
119.04928	5.0
121.02831	7.7
125.02336	1.4
135.04379	5.0
137.05980	29.5
138.06267	1.6
166.41014	1.3
169.01289	1.9
181.04996	100.0
182.05324	4.7
327.63770	1.4
343.10324	5.5
363.68591	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	343.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.95183	1.6
69.48917	17.0
71.01260	5.8
83.47204	2.0
89.02329	6.7
101.02317	2.8
113.02386	2.1
119.03388	2.9
150.86819	1.9
171.00702	2.2
175.00351	2.8
185.02350	1.9
201.01826	2.9
214.99879	2.2
216.00659	2.0
217.01505	1.7
222.47984	2.1
223.39124	2.2
229.01361	2.0
242.99333	5.5
245.00745	2.5
254.99373	2.0
257.00876	5.0
259.99579	2.3
270.98825	12.0
271.02341	1.7
273.00446	3.2
298.98297	8.0
299.98975	15.2
300.99847	22.3
302.99936	4.7
315.00323	2.4
316.01050	7.6
319.61411	2.1
326.97736	14.2
343.00760	3.3
344.00449	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	343.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.2
57.03311	1.5
59.01247	1.7
68.99682	0.9
69.03320	3.3
71.01244	4.7
72.03722	0.6
75.00751	0.9
81.03344	1.1
83.01244	4.2
95.01301	0.7
97.02837	2.3
99.00771	1.2
101.02329	1.5
103.00253	1.6
107.01279	6.6
121.53745	0.6
123.00842	0.9
123.14774	0.6
125.02342	62.4
126.02682	1.1
129.01874	5.2
139.00334	0.9
143.85596	0.7
147.02878	1.9
154.99768	14.3
169.01341	100.0
170.01656	4.1
181.64749	0.6
202.57736	0.7
229.70973	0.7
343.03091	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13614	1.1
51.44172	1.0
52.15407	1.2
59.01252	78.5
70.04922	6.1
78.95788	2.4
79.38126	1.2
80.43729	1.3
94.14201	1.2
124.06789	1.2
136.93790	1.4
155.34634	1.1
157.03471	3.1
159.01411	7.2
201.02495	100.0
202.02608	8.1
317.10086	1.4
343.04001	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0457
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
69.30333	5.8
69.62665	0.5
81.12292	0.5
84.22960	0.5
88.02600	0.5
96.20176	0.5
130.00453	0.8
142.17551	0.5
146.00006	0.8
162.12654	0.6
182.04485	0.7
185.99406	0.8
197.99457	2.2
213.99016	1.7
229.01404	0.8
232.62483	0.6
241.98466	1.9
254.99319	2.3
257.00897	2.3
259.27850	0.6
269.98065	43.6
270.98495	2.8
282.99057	0.6
285.00378	20.9
286.00717	0.8
297.97543	75.5
298.97845	4.7
299.01492	1.2
312.99902	100.0
314.00269	8.2
328.02240	96.5
329.02548	7.7
343.04581	47.9
343.07965	1.0
344.04910	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25882	0.8
57.03315	1.4
59.01252	24.1
64.17349	0.8
67.01741	0.9
69.03323	4.0
71.00893	1.5
71.01258	20.9
72.99200	0.9
83.04887	1.8
83.72290	1.0
84.02036	3.1
85.02805	2.6
86.66619	0.8
87.00752	0.9
89.02318	21.2
94.53722	0.8
95.01267	1.1
97.06466	14.4
98.20522	2.6
101.02333	9.7
113.02332	7.3
119.03394	7.5
123.08086	1.1
125.02361	1.1
125.09599	3.0
131.03426	0.9
137.09686	1.5
143.03404	2.1
149.40616	1.0
151.07423	1.0
161.04482	2.4
171.10208	12.4
175.11212	1.0
177.12885	1.1
179.05540	6.2
183.01213	2.5
190.90887	0.9
193.12279	20.9
197.02692	3.7
211.13318	4.8
221.11671	1.0
225.14914	31.4
226.15254	3.7
233.47676	1.0
243.15968	13.3
253.14304	2.1
291.19608	1.8
341.06409	2.8
341.10858	5.1
341.18143	7.6
341.23297	100.0
342.23682	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	343.0095
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00410	0.3
59.01199	5.3
69.62181	1.6
71.01257	3.6
72.99133	0.5
77.90508	0.2
83.01196	0.3
85.02792	0.6
87.00726	0.3
89.02318	3.5
95.01191	0.3
101.02304	1.4
113.02332	1.8
115.05346	0.7
119.03395	1.7
127.05441	0.3
137.02229	0.3
143.04924	1.8
155.04872	0.9
156.02068	0.2
159.04376	0.4
161.05992	1.0
162.97984	0.2
166.04921	1.0
167.32396	0.2
169.02843	0.5
171.04433	2.6
179.05557	0.4
180.02950	0.4
181.02837	0.6
181.58261	0.2
182.03159	0.3
182.04527	3.1
183.04402	0.7
184.01506	0.9
187.03886	0.8
197.02315	0.5
198.03035	1.0
199.03929	4.4
200.00999	0.5
212.01048	1.0
214.02646	0.6
215.03389	1.7
224.05569	0.5
225.01881	1.5
226.02640	1.5
227.03436	6.5
228.00510	0.4
228.03743	0.5
242.02145	0.4
243.02986	3.3
253.01440	0.6
254.02264	0.3
255.02911	1.2
270.01608	0.4
271.02417	1.1
281.00937	0.5
282.01700	1.5
283.99615	3.7
284.07629	0.2
284.99963	0.3
297.00391	0.7
298.01141	1.9
299.01953	100.0
299.99060	1.4
300.02316	6.9
300.99771	0.3
315.01465	0.5
343.00949	9.0
343.07999	0.6
343.14185	0.3
344.01114	0.9
344.09787	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87972	0.7
54.60451	0.6
59.01253	14.2
63.87391	0.9
64.34484	0.7
69.03326	2.7
71.01258	9.9
71.34468	1.9
72.99206	1.1
78.65582	0.7
83.04895	2.0
84.02042	8.0
85.02856	0.7
89.02313	9.8
97.02831	2.6
97.06462	13.8
97.38516	0.7
99.04403	1.1
101.02331	4.0
113.02311	4.0
119.03406	4.8
121.02825	0.7
125.09676	1.1
131.03448	0.8
132.43385	0.8
137.09633	1.2
143.03366	1.1
144.41518	0.7
165.12801	1.3
171.10181	23.0
175.11253	0.8
179.05524	3.6
183.13783	1.2
185.11768	1.1
188.32193	0.8
193.12274	16.4
194.12560	0.8
197.15460	0.9
211.13390	3.1
225.14931	24.4
226.15247	1.4
243.16000	11.3
253.14436	2.0
258.32687	0.9
272.06891	0.8
291.19690	2.2
313.00031	0.9
340.99536	0.8
341.10715	3.1
341.23315	100.0
342.23688	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1089
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
55.01763	1.1
57.03334	1.3
58.00466	3.5
59.01253	100.0
71.01257	68.6
71.06365	2.4
72.99181	4.2
73.02831	1.4
77.76167	1.0
83.01248	2.1
85.02830	8.0
87.00764	3.4
89.02321	78.4
93.99699	1.0
95.01286	3.2
101.02332	28.7
101.03001	1.8
113.02335	24.0
119.03399	28.3
127.52475	1.0
131.03398	3.3
143.03427	6.5
149.04472	3.8
161.04483	7.5
179.05556	23.0
230.92473	1.1
263.89072	1.3
341.10919	21.0
342.11304	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1088
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
55.01766	1.2
57.03315	2.1
58.00458	3.2
59.01252	100.0
69.70610	5.8
71.01255	62.5
72.99193	3.3
73.69763	0.8
83.01202	1.3
85.02835	8.0
87.00761	2.8
89.02322	68.6
95.01261	3.3
101.02328	23.5
110.43790	1.0
113.02329	20.6
119.03391	20.2
131.03404	3.1
143.03403	5.4
149.04460	2.2
161.04482	6.0
179.05525	18.6
234.06709	1.0
341.10876	20.0
342.11420	1.4
355.13727	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57510	0.4
59.01254	6.0
59.25854	0.5
62.59346	0.4
70.91187	0.9
70.91555	0.8
71.01261	4.7
85.02880	0.6
89.02329	5.2
91.05435	0.8
95.01292	0.5
95.03942	0.4
100.06428	0.5
101.02314	2.4
107.96690	0.4
113.02336	2.4
117.03387	0.6
119.03458	2.0
121.02877	0.7
124.10732	0.4
135.04420	0.4
143.03488	0.6
145.02881	3.2
151.00357	1.5
152.01048	3.9
161.02428	0.5
161.04515	1.1
168.57660	0.5
178.99771	0.7
179.05588	1.6
180.05797	0.5
185.02469	0.5
194.07346	0.6
196.05322	1.7
208.00076	4.1
209.00653	0.5
209.06094	0.8
209.09766	0.6
210.06805	1.5
221.94870	0.5
222.06870	1.3
223.07613	1.2
224.04753	6.4
224.08441	0.9
225.05305	0.6
225.09213	1.3
227.10757	1.5
235.07562	0.7
237.05560	1.4
237.09241	0.7
238.06332	7.9
239.06879	1.2
239.10736	2.5
241.08653	3.6
249.05664	0.5
249.67589	0.5
250.06389	0.7
251.07094	1.7
252.04253	2.0
252.07887	1.2
253.08751	1.7
254.09454	3.2
255.10226	10.2
256.10785	0.6
265.04922	0.5
265.08826	1.2
266.05859	5.6
267.06445	0.6
267.10275	1.5
269.08893	0.7
269.11792	4.0
270.05359	2.1
270.12671	3.0
280.07385	0.8
281.08185	1.0
282.08963	2.0
283.09756	48.3
284.10065	4.3
293.08246	0.9
294.08835	2.2
295.06500	0.9
295.09653	5.7
296.10553	4.4
297.08200	0.6
297.11102	2.2
298.12036	5.0
309.11261	1.8
310.08463	1.3
310.12134	3.5
311.09262	100.0
312.09613	7.3
312.13004	1.0
325.10852	16.9
325.14737	0.9
326.11584	70.1
327.08273	0.7
327.11908	6.4
341.05231	3.4
341.13950	62.4
342.06097	0.5
342.14301	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	340.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62068	1.3
57.03333	1.7
59.01242	1.9
63.02266	4.7
65.00202	6.9
69.81166	10.3
71.01243	3.0
83.01270	5.6
90.74477	1.6
107.01290	11.5
108.02023	2.0
124.01537	2.2
125.02330	5.3
133.02856	3.6
134.02451	1.6
148.01566	3.7
151.00266	18.2
160.03951	3.3
161.02338	6.0
163.00206	1.9
164.01056	3.0
169.01245	1.9
171.04279	1.8
177.01869	2.3
178.99774	6.7
186.01866	5.6
187.24854	1.6
188.03436	1.9
212.03423	7.9
214.01376	34.5
227.03444	3.7
231.01939	1.8
233.53648	1.6
243.02966	3.7
254.04599	4.8
255.02997	7.1
267.02856	2.6
269.04312	2.2
271.02505	12.5
272.02792	2.3
278.04599	3.4
283.02435	2.0
285.04010	13.8
294.04037	3.2
295.02423	2.9
296.05750	2.7
299.99112	41.0
300.02740	100.0
300.99753	3.8
301.03137	9.4
312.05267	1.6
312.99911	3.6
313.03549	9.1
322.03589	18.7
340.00839	7.3
340.04608	26.5
341.05038	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0878
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
58.30980	0.8
59.01256	5.7
62.19135	1.1
66.16612	0.9
69.60130	7.2
71.01263	4.1
85.02810	1.9
89.02317	5.5
98.20526	1.9
101.02308	1.8
109.11808	0.9
113.02344	3.4
119.03452	1.5
125.02348	1.5
134.03638	2.8
135.04419	85.0
136.04750	3.6
169.01390	1.5
179.03424	100.0
180.03784	3.5
341.08475	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	339.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29331	1.2
59.01244	4.0
72.99192	3.9
83.43336	1.1
93.39355	1.3
95.38396	1.2
97.06477	4.5
121.02804	1.5
125.05977	17.4
143.07042	72.7
144.07381	1.8
151.11172	13.0
163.11182	2.0
169.12259	100.0
170.12582	5.0
183.01144	12.2
213.11273	90.2
214.11598	5.6
227.37636	1.4
339.16519	8.2
339.20389	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	339.2328
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
56.88497	0.5
83.49917	0.4
98.20560	1.3
126.92963	0.5
163.11209	100.0
164.11539	5.3
185.89078	0.6
229.19142	0.5
311.12317	0.6
339.23285	44.6
340.23599	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	339.254
Annotation	7alpha,8-dihydroxy-5beta,8betaH,9betaH,10alpha-Labdan-15-oic acid
Peak:m/z	Relative Intensity
59.01247	1.2
69.03336	0.8
71.56542	0.4
71.56985	0.5
74.46364	0.6
80.32870	0.6
81.71017	0.5
83.25517	0.5
89.43517	0.5
93.03318	0.7
95.04903	0.7
107.04900	0.6
109.06476	13.3
121.06394	0.6
163.11163	1.5
183.01077	4.5
197.02719	6.7
198.03523	0.6
211.04309	0.7
230.02438	0.9
261.22205	3.8
275.19901	0.5
277.25360	41.0
278.25699	4.0
287.03464	0.5
295.26419	35.7
296.26779	3.4
321.24323	5.4
322.24597	0.8
339.19995	16.5
339.25339	100.0
340.20389	2.5
340.25668	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	340.0095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.5
69.90235	2.2
70.88460	0.3
71.01216	0.5
78.37663	0.3
81.17995	0.4
89.02267	0.4
95.34708	0.3
98.36652	0.3
113.31177	0.3
132.02025	0.5
132.20656	0.4
144.01985	0.4
151.00230	0.7
160.01537	1.4
172.01570	1.9
188.01053	1.3
200.01089	2.3
213.01855	0.7
214.01364	1.1
216.00589	6.4
225.11214	0.5
226.04842	0.4
226.99828	0.7
228.00636	0.7
241.01286	0.5
242.99431	2.0
244.00098	4.2
245.00497	0.5
257.00763	0.5
270.98856	1.7
271.02222	0.5
271.99634	4.4
273.00204	0.5
282.98599	0.4
285.00415	1.6
298.98306	1.0
299.99121	100.0
300.99472	6.3
304.05081	0.4
312.99893	4.1
314.00177	0.5
322.03732	0.4
340.00961	11.4
340.04477	0.6
341.01300	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22447	1.6
59.01251	5.3
60.99173	2.8
65.03835	100.0
66.04169	2.6
71.44421	3.1
71.44736	1.9
78.10440	1.5
81.03333	12.5
83.04898	90.4
85.02796	2.3
87.00710	1.7
93.06936	2.2
96.70078	1.8
97.02813	2.2
98.03594	2.7
99.04397	5.1
100.05179	23.5
101.05953	2.2
115.03864	2.8
115.25385	1.8
125.02335	2.4
127.03912	49.3
133.49760	1.6
137.05980	3.8
137.09613	8.0
138.72871	1.6
153.34236	1.8
155.07057	6.8
155.10683	61.7
156.11037	2.6
169.01312	2.3
185.11795	2.2
199.09703	20.8
199.11403	2.9
309.13474	2.0
337.12750	3.1
337.20139	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	339.051
Annotation	5-Methoxy-6,7:3',4'-bis(methylenedioxy)isoflavone
Peak:m/z	Relative Intensity
50.88551	0.4
58.42447	0.4
59.01247	1.9
59.34869	0.5
71.98001	0.5
80.26321	0.4
81.77979	0.4
96.95864	0.7
107.02303	0.5
108.41906	0.4
143.56148	0.4
146.45958	0.5
169.02936	0.6
199.97266	0.4
283.99707	1.2
297.00360	2.7
298.00967	0.8
307.99838	0.6
309.00406	59.8
310.01117	18.3
311.01682	1.2
323.01892	3.4
324.02725	1.9
339.05090	100.0
339.18173	1.8
339.21649	1.4
340.05417	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	339.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
66.63519	1.0
66.67142	1.1
69.22586	2.4
69.23004	9.2
71.01242	3.8
82.91320	0.9
85.02811	1.1
101.02314	2.3
161.04471	2.7
163.11130	0.9
191.36243	1.0
201.00253	0.9
214.06816	1.0
279.14490	2.0
299.99252	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	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
51.75873	0.3
66.35358	0.3
71.01246	0.5
71.08586	0.8
83.04894	1.1
85.02787	0.8
87.00783	0.7
93.03347	3.2
93.46362	0.3
111.04406	2.4
119.04921	53.9
120.05255	2.1
127.03934	0.5
129.01830	0.3
155.03403	2.4
163.03926	100.0
164.04298	4.2
173.04480	4.7
191.05548	16.0
192.05971	0.7
211.29704	0.3
242.53410	0.3
285.21957	0.4
315.98441	0.3
337.09317	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	337.108
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35453	0.6
59.01246	2.3
60.48241	0.6
64.82690	0.6
65.03831	1.0
70.70708	0.9
70.71043	1.2
74.02338	1.6
80.02530	1.9
81.03374	0.8
83.04900	1.5
85.02814	0.7
93.03338	100.0
94.03662	2.8
95.04904	9.4
108.02089	0.8
119.04955	0.8
123.04486	0.7
125.02351	0.9
127.03925	0.7
155.10741	0.8
167.04866	0.8
169.06509	6.1
171.08018	1.6
173.02341	0.8
173.09590	1.3
179.53070	0.7
187.07596	0.6
187.15944	0.6
211.07451	0.6
213.05484	2.7
222.06853	0.8
223.07608	6.8
233.09616	0.7
247.11237	1.5
249.12863	5.8
250.06345	1.1
251.07257	0.9
255.23219	0.6
256.19199	1.3
265.12338	7.5
275.10733	1.3
278.09366	1.5
293.11856	31.7
294.12225	2.1
337.10645	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	337.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.8
59.01247	6.5
60.99179	2.8
65.03835	69.5
67.01797	1.4
71.01264	1.6
71.04897	2.5
81.03336	11.5
83.04900	100.0
84.05237	4.0
85.02790	1.6
85.06400	2.0
87.00750	9.1
87.04400	2.4
93.06967	2.8
96.95892	2.6
97.02821	2.7
98.03609	6.3
99.04404	9.0
100.05181	30.1
101.05965	4.4
115.00296	1.6
115.03912	3.3
119.08549	4.6
127.03906	41.4
128.04260	2.3
132.04176	2.0
137.05975	5.9
137.09618	12.8
155.07066	5.4
155.10687	93.1
156.11017	3.5
161.05945	1.5
163.03909	2.9
181.08629	3.7
185.19308	1.3
199.09695	52.5
200.10101	2.6
275.20187	3.0
277.05994	1.8
293.10239	1.6
293.17694	3.2
293.21161	3.0
337.07584	3.2
337.12985	2.2
337.16528	3.0
337.20142	18.7
337.23892	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	337.093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07660	0.3
57.03305	0.4
59.01252	0.4
68.50550	0.4
71.01251	0.6
83.04876	0.4
85.02821	2.8
89.56766	0.3
93.03349	3.1
95.21437	0.3
111.04421	2.0
119.04916	44.3
120.05268	1.4
127.03874	1.0
129.01773	0.4
137.02376	0.5
155.03427	2.6
163.03917	100.0
164.04257	3.9
173.04471	5.4
191.05536	30.3
192.05911	0.7
206.55350	0.3
229.63292	0.4
300.61890	0.4
337.09244	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	337.093
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
56.74395	0.5
57.03316	0.7
58.00468	0.6
59.01244	1.4
60.99192	0.7
67.01762	4.0
69.03323	1.1
69.48771	1.8
69.49199	2.5
71.01262	2.5
81.03336	1.0
83.04881	0.5
85.02840	2.4
87.00758	0.9
90.14442	0.5
93.03336	24.8
93.92831	0.5
94.03641	0.9
111.00764	0.6
111.04414	4.6
115.03876	0.5
119.04053	0.9
119.04914	19.1
119.98730	0.6
127.03902	0.6
137.02353	5.1
153.01836	0.5
155.03371	3.9
163.03923	17.9
164.04228	0.8
173.04475	100.0
174.04817	3.4
178.21144	0.6
191.05548	17.0
192.05885	0.7
245.01028	0.6
305.02893	0.6
337.05630	0.9
337.09323	2.6
344.88715	0.6
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
57.03314	1.3
59.01246	2.0
60.99178	0.5
67.01758	4.7
67.45098	0.4
69.03336	1.2
71.01260	4.3
81.03345	1.5
83.04906	1.0
84.43885	0.4
85.02832	0.9
87.00754	0.4
93.03336	33.4
105.89145	0.4
109.02834	0.6
111.00760	1.0
111.04403	5.5
113.02285	0.5
117.38973	0.4
119.04920	16.9
120.05264	0.4
127.03949	0.5
137.02338	6.0
146.71428	0.6
147.61441	0.4
155.03415	4.5
161.06035	0.5
162.83693	0.4
163.03929	19.9
164.04271	0.8
166.84563	0.4
173.04474	100.0
174.04845	2.4
191.05582	1.8
237.14983	0.4
337.09537	2.3
337.12799	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.9
68.99694	1.8
69.47031	0.8
69.92176	5.4
71.01266	1.8
75.00727	1.1
83.01254	1.1
85.02799	4.8
87.00767	1.5
93.03355	0.9
93.28549	0.9
96.96799	1.0
98.19807	1.6
99.00761	4.5
101.02351	2.3
107.04926	1.3
111.00784	2.6
113.02331	5.1
113.99483	12.2
115.00269	3.9
119.04949	4.3
121.02840	1.7
121.06489	1.7
127.00214	2.0
129.01830	2.1
131.04962	1.1
133.06494	4.8
135.04411	3.2
137.02368	1.1
145.02858	1.7
149.02403	2.2
149.05974	2.2
151.03925	3.8
157.01323	3.4
159.04427	3.3
161.06012	7.8
162.03163	2.4
163.03915	18.7
165.01740	1.3
169.01335	1.5
170.89616	0.9
173.04384	1.4
174.01599	11.7
175.02393	1.6
177.01921	1.1
177.05516	4.0
187.03951	4.0
190.02603	1.6
193.01366	11.9
203.03218	0.8
205.04999	19.1
206.05412	1.2
219.03003	1.0
231.02933	1.0
249.04027	17.5
250.04335	1.4
260.31149	0.9
277.05658	19.5
293.03079	2.8
337.02063	10.5
337.07788	100.0
338.02200	1.3
338.08109	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	337.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.6
57.03326	0.6
57.69531	0.4
58.00452	0.5
59.01251	2.0
66.24718	0.4
67.01764	0.4
68.99688	3.0
69.03331	0.7
71.01266	3.4
71.36347	0.7
72.99171	0.8
73.02818	1.5
75.00740	1.2
75.41802	0.4
78.95766	0.3
81.03333	0.5
83.01265	1.2
85.02818	4.7
87.00731	2.5
89.02330	0.7
93.03307	0.4
95.01266	1.2
96.96854	0.6
97.02824	0.8
99.00759	4.8
101.02329	1.7
111.00761	2.4
113.02328	5.1
113.99474	16.7
115.00270	6.1
117.01789	0.5
121.02859	0.6
121.06503	0.6
123.04423	0.5
125.02310	0.9
127.00249	2.6
129.01825	1.8
130.75758	0.3
133.01305	0.7
133.06490	0.6
135.04404	1.0
139.00229	0.9
141.01811	0.5
145.02829	0.4
146.03748	0.5
149.02356	0.6
151.03917	0.9
157.01344	3.7
159.04352	0.5
161.06009	2.2
162.03116	0.5
163.03909	2.2
169.01343	1.4
174.01613	13.6
175.02386	1.3
175.03816	0.4
177.05455	0.8
187.03943	1.0
190.02594	0.6
191.03584	0.6
193.01370	3.3
205.04987	4.5
249.04025	3.1
277.05640	21.8
278.06027	1.2
300.61929	0.4
319.42642	0.4
337.07764	100.0
338.08102	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	337.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59114	0.4
55.01768	0.5
57.03309	0.5
57.09230	0.6
59.01234	2.1
68.99686	1.6
70.31326	1.3
70.68465	0.5
71.01270	3.0
73.02839	1.1
75.00732	1.1
83.01254	1.3
85.02822	5.1
87.00740	1.5
89.54119	0.4
95.01252	1.0
99.00756	6.2
101.02329	2.1
105.03355	0.8
106.74108	0.5
107.04903	0.9
109.02903	0.5
111.00758	2.4
113.02325	5.6
113.99467	15.7
115.00285	6.5
119.04888	2.0
121.02839	1.3
121.06467	1.3
123.04411	0.6
125.02351	1.0
127.00264	2.8
129.01799	1.9
133.06508	4.5
134.41203	0.5
135.04469	2.2
137.02351	0.9
141.01775	0.6
141.61909	0.5
143.04929	0.8
145.02838	1.7
146.03603	0.7
149.02333	2.1
149.05995	1.7
151.03911	4.2
157.01353	5.1
159.04457	3.4
161.05995	8.0
162.03172	2.3
162.06259	0.7
163.03918	14.9
164.04211	1.0
165.01849	1.0
169.01328	2.0
174.01607	20.8
175.02312	2.5
175.03918	1.1
177.01883	0.9
177.05492	3.5
186.43654	0.5
187.03940	6.4
190.02667	2.2
191.03346	0.6
193.01361	12.3
194.01605	0.9
197.32275	0.5
203.03387	1.4
205.05002	18.6
206.05356	1.2
231.02896	0.9
233.00940	1.1
237.00359	1.1
249.04005	14.4
250.04240	0.8
269.23163	0.5
275.02197	0.5
277.05637	23.5
278.06000	1.2
293.03049	2.2
324.43948	0.5
337.02054	9.4
337.07761	100.0
338.02496	0.7
338.03824	0.7
338.08112	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	337.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16801	1.4
59.01241	11.5
67.01795	3.5
69.36281	16.3
71.01242	13.2
72.99169	2.4
73.02814	3.1
75.00704	2.1
80.07912	1.8
81.27789	1.8
83.01242	7.6
85.02823	4.2
87.00731	9.0
89.02297	3.2
93.03335	26.0
95.01260	3.8
97.02840	2.6
98.19833	3.8
99.00742	7.5
101.02312	3.0
109.02843	16.5
111.00797	2.0
111.04395	5.9
113.02361	3.3
115.00278	14.3
119.04914	23.3
121.06458	4.1
125.02372	2.1
126.01922	1.9
131.04913	2.4
133.02870	11.0
135.04420	8.6
137.02350	3.9
139.00290	1.6
145.02888	8.4
147.04462	11.5
148.05180	5.7
149.05994	100.0
150.03082	1.9
150.06351	3.8
153.01851	3.1
155.03397	4.3
159.04427	3.7
161.02348	30.1
163.03926	31.7
165.05460	3.8
171.04535	1.9
173.04474	78.3
174.03064	2.6
174.04701	1.7
175.02391	9.9
175.03928	14.8
177.01897	15.1
177.05476	4.4
179.03447	4.4
181.01340	4.0
183.02843	3.8
187.03961	3.1
189.01811	4.6
189.05466	3.8
190.02632	4.6
191.03596	3.4
191.05533	17.6
191.07089	2.4
193.01434	2.9
193.05019	15.0
201.01898	2.4
203.03314	2.3
205.04970	8.9
206.02058	2.6
211.07605	3.7
217.01363	7.1
218.02214	3.5
219.02942	23.9
229.01295	2.4
231.02762	2.9
231.06500	1.9
233.00949	1.7
233.04488	15.1
237.04008	48.9
238.04347	4.0
245.00902	5.7
246.01674	3.3
249.04031	5.7
249.07550	1.7
261.04080	5.7
273.00385	10.9
277.03406	4.5
293.06659	5.8
293.09781	1.9
305.03070	14.0
318.25009	1.8
319.04617	2.3
337.05487	20.4
337.08682	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	337.0202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87991	2.5
59.01250	17.2
65.00199	4.1
65.03817	3.7
65.17764	2.5
67.01766	5.2
70.32172	11.0
71.01247	10.3
81.03332	3.5
83.01260	3.5
85.02818	5.0
87.00758	3.1
89.02312	10.1
93.03342	16.4
95.01266	8.5
95.04863	3.0
97.02821	8.4
99.00785	12.9
99.87340	2.5
101.02300	4.4
105.03355	6.7
105.06969	4.8
107.04920	8.9
109.02808	5.4
111.00756	7.7
117.03345	9.3
119.04926	27.1
121.02831	12.3
121.06484	11.3
123.00763	4.6
123.04401	9.2
125.02277	3.6
131.04944	3.2
133.02843	8.6
133.06487	28.8
135.04390	20.5
136.01500	3.0
137.02356	9.0
139.00266	4.1
143.04892	6.1
145.02850	22.9
146.03622	8.0
147.04420	6.1
149.02341	15.9
149.06004	29.0
151.00111	2.6
151.03937	27.2
153.01849	15.3
155.03351	5.2
159.04395	21.1
160.05180	4.2
161.02399	21.2
161.06001	40.5
162.03174	16.9
163.00301	4.2
163.03915	88.4
164.01076	4.0
165.01839	8.2
169.01311	3.7
171.02879	5.0
173.02289	9.6
173.04477	29.1
174.03091	3.3
175.03853	12.5
177.01817	8.5
177.05515	20.4
181.01323	23.8
183.02898	24.2
187.03964	32.0
188.04472	2.6
189.01894	18.1
190.02628	24.8
190.99756	2.7
191.03436	8.5
191.05519	3.8
193.01352	77.0
193.04984	5.1
194.01645	3.0
194.99301	4.2
201.01878	13.7
203.03448	15.4
205.01483	4.0
205.05006	100.0
206.05386	5.3
217.01364	38.1
218.02139	9.0
219.02946	7.4
221.04509	5.7
222.01711	5.0
229.01369	14.3
231.02901	5.6
233.00853	7.1
233.04514	7.6
235.02393	6.2
237.00397	4.7
237.04080	7.4
245.00894	32.8
246.01660	11.2
249.04019	68.4
250.06642	5.3
250.56856	2.7
259.02454	4.5
261.00388	2.6
261.04013	16.7
273.00385	49.6
274.00812	2.8
275.02051	4.8
277.03564	11.0
287.01947	3.7
293.03088	8.4
293.06424	3.2
305.03033	49.8
309.06155	3.0
327.08749	3.2
337.01923	47.0
337.05688	53.7
337.15005	14.3
338.02383	4.7
338.06036	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	337.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	6.5
65.00195	4.7
67.01746	1.5
69.03296	1.7
70.16147	1.3
70.81579	4.5
71.01260	4.1
71.41352	1.3
73.19872	1.3
75.00758	2.4
83.01258	2.0
89.03851	2.2
93.03323	2.7
95.01261	14.2
97.02832	11.5
97.99963	2.8
99.00829	1.5
101.02331	4.7
105.03332	3.2
109.02853	2.3
111.00737	15.0
117.03349	6.3
119.03391	1.6
119.04934	9.4
121.02859	2.4
122.36729	1.9
123.00775	6.5
124.01534	3.1
133.02834	6.3
139.00282	8.4
139.03893	2.0
140.01062	2.3
145.02858	15.3
146.03625	2.5
147.04407	3.4
149.05969	2.6
151.00288	5.8
151.03810	1.7
153.01852	26.0
155.03404	7.4
157.02757	4.3
161.02342	17.1
162.02979	2.1
163.00285	7.7
163.03918	20.4
164.01013	1.6
165.01816	1.9
166.99800	2.3
167.03387	2.7
168.00577	3.1
171.02910	30.5
172.03125	1.5
173.02377	16.6
173.04474	3.5
174.03079	3.5
175.00285	1.7
175.03912	4.6
176.01077	2.5
177.01830	4.9
181.01355	30.3
182.02109	2.2
183.02911	46.9
185.02365	3.6
189.01869	24.2
190.02614	15.0
190.99805	2.1
191.03444	5.1
191.05533	1.8
192.00620	4.7
193.01392	2.4
194.99243	7.8
201.01868	17.7
202.02557	2.8
203.03435	7.6
204.04030	1.8
205.01335	3.5
205.05019	3.8
206.99287	1.6
208.00082	4.0
217.01372	48.3
218.02109	21.2
219.02837	5.8
221.04579	2.7
222.01662	7.1
223.02388	5.3
225.03984	5.7
228.00697	2.5
229.01358	24.8
230.01698	2.1
231.02928	5.6
233.00934	2.2
233.04541	12.5
235.02382	7.0
237.03763	2.2
245.00896	40.1
246.01601	19.3
247.02155	2.5
248.03226	2.3
249.03983	15.1
259.02472	4.1
260.99927	2.3
261.04047	31.2
262.04510	1.5
273.00400	72.7
274.00751	5.5
277.03491	12.6
287.02063	3.5
291.05203	3.2
293.06601	3.0
305.03036	73.1
306.03256	5.4
309.06171	4.3
319.04474	3.6
337.05649	100.0
337.14929	6.4
338.06015	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	335.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20326	0.6
59.01254	0.9
65.43987	0.6
69.86616	3.7
71.01262	0.9
73.02808	2.1
83.04893	1.7
84.49619	0.7
85.02845	0.7
88.16882	0.8
88.62122	0.6
93.03339	13.7
96.95915	0.7
101.02316	1.0
107.04929	1.0
109.02785	0.7
109.83015	0.7
111.00809	1.0
111.04411	3.7
113.02330	0.7
117.03371	0.9
125.02350	1.6
133.02861	10.0
134.03651	5.6
135.04414	100.0
136.04738	4.1
137.02345	5.3
137.19617	0.7
155.03400	2.3
161.02350	21.8
162.02644	1.7
173.04486	2.0
176.07848	0.6
179.03418	83.5
180.03734	2.7
201.22226	0.8
326.51541	0.7
335.04208	1.0
335.07675	18.7
335.20740	0.9
336.07986	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0772
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
52.02031	0.4
69.55569	3.3
73.02831	1.4
81.03339	0.9
83.04906	1.6
85.02793	0.5
91.05388	0.5
93.03343	12.6
99.00760	0.7
99.04414	0.6
106.04184	0.4
107.04929	1.4
109.02837	0.8
111.04411	3.6
133.02852	9.1
134.03654	5.6
135.04417	100.0
136.04753	3.6
137.02345	6.5
139.00346	0.4
151.00233	0.5
153.01813	0.5
155.03412	2.2
161.02351	24.2
162.02632	1.0
173.04489	1.6
173.30530	0.4
179.03419	85.9
180.03760	4.2
180.42058	0.5
333.69763	0.4
335.07697	19.7
335.11746	1.0
336.08020	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71202	0.3
68.99624	0.3
69.61409	0.8
69.61819	1.1
71.01228	0.3
74.96706	0.2
76.72897	0.3
98.20478	0.5
108.43391	0.3
109.46299	0.3
109.99974	0.3
111.00765	1.6
124.01536	1.9
127.00272	0.6
131.39244	0.3
136.62830	0.3
136.98698	1.5
139.00244	1.9
140.01051	2.6
154.99791	0.4
168.00565	4.7
174.25441	0.3
183.02910	100.0
184.03239	3.7
205.12619	0.5
335.03964	0.5
348.01285	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0772
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
54.07874	0.6
56.45161	0.6
59.01265	0.7
62.31483	0.6
65.03870	0.7
66.55807	0.8
70.65727	0.6
73.02829	1.5
78.42944	0.6
80.87212	0.6
81.03375	0.7
83.04896	2.0
93.03342	12.6
107.04906	1.0
109.02816	0.9
110.50204	0.5
111.00761	0.9
111.04418	2.6
112.88202	0.7
117.03329	0.8
129.88901	0.9
132.02049	0.9
133.02846	10.2
134.03629	5.6
134.91180	0.6
135.04420	100.0
136.04788	4.2
137.02348	6.2
155.03418	1.9
159.00760	0.9
160.01694	0.7
161.02353	23.5
162.02649	1.0
169.01346	0.9
173.04475	1.6
179.03427	81.1
180.03792	2.8
189.01900	1.0
214.99873	0.9
216.00534	1.6
219.02908	0.7
223.22105	0.7
240.86020	0.8
242.99330	1.6
243.99940	0.9
259.99661	2.7
261.00259	0.9
270.98984	1.8
275.02002	2.8
276.02475	0.8
288.83270	0.8
303.01672	1.3
310.34055	0.7
310.52692	0.7
316.98505	2.4
335.04050	10.8
335.07797	17.0
336.04434	1.5
336.08197	2.1
353.10272	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06392	0.8
59.01241	1.0
59.08430	1.1
65.13807	0.9
66.32163	0.9
70.86613	2.2
91.17161	0.9
95.20341	1.0
109.15824	0.9
122.39030	1.0
149.09602	3.1
178.69551	0.9
199.85632	0.9
243.17612	1.0
245.19125	1.8
253.18861	0.9
257.19202	2.6
259.16870	1.0
273.22235	84.8
274.22617	7.3
289.25388	14.4
290.25626	1.6
314.97818	3.3
333.24347	100.0
334.24698	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	335.041
Annotation	Dantrolene sodium anhydrous
Peak:m/z	Relative Intensity
54.23257	0.5
65.00194	1.2
67.01749	0.5
69.63892	2.9
69.64304	1.3
73.02822	1.0
78.29137	0.5
81.83770	0.5
93.03320	3.1
98.19867	0.7
107.04900	0.6
108.02032	0.8
111.04425	1.1
114.53992	0.6
120.18792	0.6
131.01260	1.8
131.04948	0.8
132.02094	1.3
133.02835	4.3
134.03615	1.2
135.04419	28.8
136.04781	0.7
137.02361	1.5
142.22748	0.6
143.01300	3.0
145.02888	1.2
147.00783	0.9
147.04407	1.0
148.01530	1.7
159.00826	4.5
159.04433	1.5
160.01537	1.3
160.34778	0.5
161.02365	13.9
162.02763	0.8
163.00346	1.3
163.03947	1.3
171.00768	6.1
172.05235	0.7
173.02400	1.2
174.41844	0.6
175.03944	2.9
176.01094	3.7
177.01729	0.6
179.01842	1.0
179.03424	20.5
180.03812	0.7
185.66122	0.6
187.00317	7.2
187.03951	1.8
188.01076	3.1
189.01913	3.4
190.02538	0.7
190.99779	2.5
191.03430	2.0
199.00290	0.8
201.01904	0.6
202.99599	0.6
203.03450	2.2
204.00668	1.1
205.01332	0.6
214.99802	8.4
216.00566	13.1
217.01268	4.2
219.03000	3.2
229.01494	0.9
230.02200	0.9
231.02942	2.0
232.00069	1.8
233.00925	3.5
233.97995	4.0
238.68478	0.6
242.99303	16.5
244.00084	7.9
245.00729	1.9
247.02461	5.6
248.03192	2.7
259.02267	0.6
259.99606	12.1
261.00351	7.2
270.98837	16.6
271.99457	4.7
273.00339	0.9
275.01974	24.3
276.02490	2.0
287.98834	0.6
291.04895	0.9
303.01462	15.9
304.02026	2.4
305.02853	0.6
307.04575	5.1
316.98672	0.9
335.04089	100.0
335.07629	6.3
336.04501	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	333.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18650	3.4
55.01777	3.5
58.00465	3.7
59.01254	81.8
65.91778	3.6
66.80414	3.3
71.01255	60.8
71.48817	6.5
72.99186	7.1
78.09657	2.9
79.05402	8.1
85.02848	8.0
89.02319	72.6
91.05426	9.9
93.03331	7.2
95.01296	6.4
97.06503	4.1
101.02327	39.4
107.04926	11.6
108.57127	3.4
109.06479	100.0
113.02332	19.4
119.02679	3.4
119.03407	26.1
125.02334	5.9
143.03421	3.6
144.40193	3.2
151.00266	3.9
153.05475	10.0
169.01332	12.9
171.06534	12.1
173.74240	3.5
179.05479	5.0
184.14983	3.3
193.01358	4.9
197.78886	3.1
333.12021	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	333.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27864	4.2
56.10966	3.9
58.27563	3.6
58.91545	3.9
59.01251	9.4
71.57186	5.5
81.03324	15.3
95.01252	7.3
108.02031	5.0
123.08062	14.0
149.05925	7.5
151.07553	100.0
152.22031	4.9
161.02385	4.0
162.03108	4.5
177.05496	8.9
195.06554	11.4
230.99179	7.5
260.59396	4.6
261.00427	5.8
282.83908	4.4
286.98361	11.1
314.97797	38.8
332.98538	6.6
333.13477	8.2
333.20749	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	333.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.3
66.14594	0.5
71.01241	0.7
71.57510	0.6
78.03369	0.8
80.04928	0.6
85.02831	0.5
92.04933	2.1
94.02863	0.4
94.06508	4.1
96.42961	0.4
101.02309	0.7
103.04166	0.5
103.39670	0.4
104.04938	3.0
105.03361	2.6
106.06505	12.9
107.03690	0.5
107.06860	0.5
108.04439	2.1
120.04446	6.2
121.05242	1.2
122.02361	0.8
122.06014	14.6
123.03158	2.1
123.06362	0.6
124.07577	0.8
131.03729	0.8
132.04457	9.6
135.03160	0.7
136.03923	0.7
138.05508	23.7
139.05927	0.8
148.03891	1.1
150.05515	2.8
159.00768	1.3
161.02333	0.8
166.04976	0.7
187.00259	0.5
188.07268	0.5
189.07893	1.5
203.09445	0.5
213.06517	0.6
214.99835	1.2
215.11830	1.5
217.07373	1.7
226.07405	0.8
228.08969	0.6
229.09752	1.1
230.99313	1.1
231.09001	1.1
231.11330	1.5
233.00816	0.5
241.09850	4.0
242.99321	0.6
243.11385	1.5
259.11008	0.7
261.00299	1.4
271.10822	0.6
286.98386	3.0
289.11948	100.0
290.12265	7.7
314.97864	8.5
315.00998	0.4
315.97971	0.8
333.10959	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	333.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47904	0.4
58.49734	0.4
58.90828	0.5
59.01226	0.6
59.58435	0.4
69.91889	1.6
74.83627	0.3
78.95776	100.0
92.00552	0.3
96.89088	0.4
96.96841	20.3
98.20498	0.7
109.02850	0.6
124.10072	0.4
150.97931	1.4
152.99492	73.5
153.99844	1.1
158.25233	0.3
171.00555	8.1
175.04056	0.4
181.74734	0.4
223.00102	0.7
224.35988	0.4
241.01157	34.2
242.01570	0.9
259.02240	2.5
333.05917	65.7
334.06329	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	333.0251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13274	3.0
58.66445	3.1
58.99449	3.8
59.01241	11.2
60.75613	3.3
61.15528	3.2
63.02267	6.5
65.00188	15.1
69.03320	3.5
71.01254	5.5
73.02787	3.1
77.61427	3.3
83.01255	14.8
87.00723	4.8
95.01252	10.2
98.19756	7.5
99.00749	15.4
102.98468	5.4
107.01279	18.1
108.59949	3.2
109.02841	46.9
110.00039	3.2
111.00770	19.4
121.02802	6.0
123.00761	22.3
124.01534	6.5
125.02354	35.5
131.01279	5.3
133.02870	31.6
135.00752	7.3
136.98708	7.2
137.02325	13.6
139.00282	38.3
139.03912	6.2
141.01846	33.0
145.02892	4.3
147.00801	7.1
147.04388	6.5
148.01585	3.8
149.02316	6.3
151.00275	54.6
152.00940	5.7
153.01837	31.2
159.00781	6.9
159.04451	7.4
161.02361	22.2
163.00255	23.4
164.01001	4.7
165.01811	7.3
166.99767	30.0
168.00557	23.3
169.01366	24.2
171.04391	5.9
175.00253	7.6
175.03894	6.1
176.98235	5.0
177.01849	15.8
178.99806	57.5
180.00153	3.7
187.00253	8.6
187.03883	5.3
189.01805	15.4
190.02448	3.9
190.99831	21.1
193.01430	11.1
194.99274	26.5
197.00832	12.8
199.03862	5.3
201.01840	5.2
202.99852	5.1
203.03450	8.0
203.11038	71.9
204.97748	5.0
205.01318	9.8
205.98428	5.8
206.99315	34.4
207.03075	4.3
207.99895	7.0
208.46826	3.8
209.00813	17.5
214.99745	11.2
215.03365	6.9
217.01334	8.5
217.04999	9.2
219.02913	5.3
222.98854	42.3
223.99588	18.0
227.03426	7.6
230.99275	16.4
233.00914	10.8
233.04460	7.7
242.99240	4.5
243.03012	7.7
245.00900	6.9
245.04396	9.0
247.02405	8.9
259.02448	6.4
261.00400	31.1
261.03168	3.8
261.04221	4.2
270.98880	4.9
271.02481	11.5
273.11536	8.1
275.99103	5.4
286.98315	38.6
287.01920	24.3
288.99915	8.5
289.03387	7.4
291.12625	11.3
314.97806	100.0
315.01456	35.6
315.98154	7.4
316.01926	6.5
318.98676	3.7
332.98810	11.5
333.02441	33.0
334.02750	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	332.9887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68562	1.6
59.01242	4.0
61.46327	1.7
63.02295	1.5
65.00199	4.4
68.99677	2.0
69.75091	1.8
71.01273	2.1
71.57446	3.2
73.16123	1.6
79.83514	1.9
85.57314	2.0
89.03831	2.8
91.01780	2.6
93.03345	3.1
95.01273	2.9
95.04898	2.5
101.02328	1.9
103.01755	3.1
105.03345	14.4
109.02839	5.7
111.00829	4.5
115.01805	2.0
117.03342	7.7
119.01292	4.2
121.02856	5.9
122.06042	2.4
123.00744	4.3
123.04403	5.7
125.02328	6.0
131.01268	8.1
133.02870	31.5
137.02318	3.8
138.05502	5.2
139.00281	5.4
141.01836	5.6
143.01295	7.5
145.02876	12.1
147.00824	11.1
148.01602	4.4
149.01289	2.8
149.02298	12.8
151.00269	7.1
153.01845	2.7
159.00803	18.8
160.01581	2.0
161.02356	51.3
162.02785	2.1
163.00270	5.9
163.03925	5.0
164.01086	4.5
166.99776	2.4
168.00595	2.6
169.01408	1.7
171.00786	6.9
173.02351	8.8
175.00290	6.6
176.01062	5.2
177.01871	27.5
178.99762	8.3
179.03450	2.2
187.00302	35.6
189.01866	38.3
192.00499	13.3
194.99261	3.8
199.00198	2.3
201.01889	4.4
202.99825	9.2
205.01363	20.1
206.99376	4.2
207.02870	4.5
214.99818	50.9
215.03143	2.1
216.00383	7.7
217.01382	38.7
218.01804	2.3
218.99223	5.8
220.00201	4.5
221.00778	4.5
222.98798	3.0
230.99287	15.3
231.99933	5.1
233.00887	27.9
242.99362	22.3
243.99925	2.6
245.00919	23.7
246.98781	8.2
247.99554	29.6
249.00273	6.1
258.98834	5.3
259.02380	2.2
259.99551	5.1
261.00388	100.0
262.00772	6.4
270.98856	37.1
271.02087	2.4
271.99429	4.9
275.99142	35.5
276.99863	18.1
286.98352	87.9
287.98904	6.8
288.99915	35.4
289.02905	2.1
289.12009	15.3
290.00192	2.0
304.99496	5.2
314.97873	52.4
315.01495	5.6
315.98349	6.1
332.98880	71.1
333.02100	3.2
333.99243	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	331.1915
Annotation	Cespihypotin V
Peak:m/z	Relative Intensity
52.99340	7.1
56.22548	7.4
59.01255	16.0
59.35780	6.6
64.82577	6.9
70.07681	7.4
70.08003	41.2
71.01273	10.8
71.03423	8.2
74.12766	7.7
81.22975	7.1
94.28658	7.3
96.95901	7.9
102.86322	8.2
121.10111	40.1
125.02294	11.8
153.01846	8.3
153.09087	13.9
165.09099	36.9
169.01302	15.4
183.10194	100.0
214.99814	8.4
230.99283	22.8
249.18474	10.9
258.99271	8.5
271.20685	30.4
286.98224	8.8
287.23846	15.5
330.97330	23.3
331.22690	63.9
331.26401	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	331.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52177	0.8
55.01759	6.3
57.03328	5.9
58.00465	2.4
58.34029	0.8
59.01252	73.9
66.98218	0.8
69.03305	1.5
71.01255	100.0
71.06987	1.9
71.07339	1.0
72.01591	1.7
72.99187	4.9
73.02821	30.4
75.00751	1.8
78.56850	0.9
83.01270	13.0
84.02021	1.0
85.02827	42.3
85.38142	0.8
87.00766	4.4
87.01228	1.0
89.02322	34.3
95.01265	8.7
96.52318	1.0
97.02814	3.0
99.00758	11.9
99.02623	2.2
101.02325	75.2
111.00780	1.5
113.02335	44.7
114.02661	1.4
119.03406	12.4
125.02333	4.2
126.69717	0.8
128.29053	0.9
129.01842	1.2
131.03392	1.9
143.03395	4.4
146.00668	0.8
151.26910	0.9
159.00789	1.2
159.02910	8.7
159.42055	0.9
160.34073	0.8
161.04471	35.8
162.04808	1.3
169.01364	5.7
179.05493	2.4
201.09459	2.6
205.03528	1.3
211.02402	2.5
230.99339	4.5
271.04520	2.4
286.98508	1.2
287.01672	1.2
330.97260	2.5
331.00800	1.7
331.06772	2.5
331.17575	13.0
335.80658	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77601	1.3
55.97522	1.5
58.00468	2.5
59.01251	42.7
59.80960	1.4
67.01763	2.4
67.75347	1.4
69.03333	2.8
71.01250	18.8
71.13991	4.0
79.01768	3.1
83.01258	2.9
85.02830	4.5
87.23429	1.4
89.02318	11.1
95.01257	4.5
101.02324	7.7
106.44663	1.5
107.01263	11.0
111.00758	2.0
113.02309	4.1
118.65067	1.4
119.03372	3.1
122.99902	2.8
123.00764	38.0
124.01541	3.8
125.02335	74.5
139.00255	5.5
140.01047	3.0
141.01817	5.0
151.00282	21.5
152.00497	1.6
168.00548	6.7
169.01340	94.3
187.34358	1.6
211.02386	15.6
228.89490	1.5
271.04684	12.7
276.86108	1.5
331.06705	100.0
332.07120	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0673
Annotation	6-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.31241	1.5
50.31516	1.1
57.36120	1.4
58.26896	1.2
69.03314	2.7
71.01278	1.2
71.05445	2.0
71.05761	1.7
95.01244	1.2
97.02859	2.8
113.71863	1.2
124.01530	1.6
125.02335	73.5
126.02687	2.3
153.01848	4.4
168.00485	2.0
168.04221	2.6
169.01340	100.0
170.01668	4.6
182.85626	1.6
211.02390	1.5
214.93457	1.3
217.64693	1.5
271.04611	2.7
309.07782	1.4
331.06680	5.1
331.10187	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	10.6
57.03321	7.8
58.00478	4.8
59.01254	97.6
67.84183	1.4
71.01257	100.0
72.01627	1.8
72.99182	4.0
73.02824	25.5
75.00733	1.5
79.89407	1.3
79.95641	4.8
82.40982	1.5
83.01265	16.5
85.02825	41.2
85.13941	1.2
85.99979	1.5
87.00762	4.2
89.02320	48.4
93.03365	1.9
95.01266	8.9
97.02840	1.7
98.20595	2.4
99.00755	8.8
101.02327	81.1
101.77953	1.4
102.02667	1.2
102.79497	1.4
107.01247	1.4
111.00764	2.9
113.02332	36.4
115.86790	1.3
119.03433	23.1
119.04915	60.5
120.05258	2.8
125.02360	3.9
135.04420	8.6
139.00246	1.5
140.71053	1.4
143.03384	2.8
151.00267	2.1
159.02893	5.2
161.04454	13.6
163.03952	4.2
168.02924	8.2
169.01257	2.7
169.03328	9.8
178.99832	1.6
179.05612	2.1
193.71097	1.4
199.00648	17.3
201.09569	2.6
211.02496	2.3
215.00185	12.3
240.03517	1.4
242.99809	1.6
271.04794	1.9
292.37653	1.4
301.16608	4.8
331.01248	2.8
331.05115	7.6
331.17816	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	331.0671
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03285	1.1
57.17923	0.8
58.00471	1.4
59.01253	31.6
67.01773	1.6
69.03329	1.3
71.01256	17.7
71.26686	1.8
72.99178	1.9
73.02831	1.2
79.01756	2.9
83.01247	3.3
85.02817	3.6
89.01809	1.4
89.02316	10.0
95.01249	3.9
97.02831	2.7
101.02319	8.2
107.01260	7.2
111.00755	1.8
113.02321	4.0
119.03404	2.8
122.99905	1.9
123.00762	26.4
124.01566	6.4
125.02335	68.8
126.02704	2.1
136.98689	1.0
139.00249	5.0
140.00998	2.8
141.01797	2.6
149.99477	3.5
151.00276	24.9
152.00568	1.1
167.03342	0.9
168.00557	18.1
169.01340	95.9
170.01692	2.4
189.91989	0.9
193.01421	1.1
211.02440	18.7
241.03516	2.1
271.04599	13.8
272.05090	1.3
313.05573	1.8
314.68909	1.0
331.06702	100.0
332.07016	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	331.0095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87941	0.4
77.53690	0.5
91.05373	0.5
98.20560	1.3
103.05392	0.8
115.61865	0.5
117.03334	0.6
119.04855	0.9
125.02259	0.8
131.04938	3.7
133.02841	0.8
143.04898	1.6
146.03394	0.5
147.04408	4.7
157.02789	1.1
158.03575	1.2
159.03198	0.6
159.04437	8.3
160.04692	0.6
161.02396	0.6
169.02730	0.7
171.04390	1.6
173.02315	0.6
174.03166	0.5
175.02446	0.8
175.03889	6.4
177.05475	0.7
185.02370	2.7
186.03032	0.8
187.03911	8.5
188.01117	0.5
189.01857	0.9
193.05069	0.6
197.02379	1.2
201.01909	0.7
202.02660	1.7
203.03436	30.4
204.03766	2.7
211.02383	1.0
213.01889	3.7
214.02589	0.9
215.03441	4.2
216.00620	2.1
230.02078	1.2
231.02936	23.0
232.03186	1.3
241.01433	2.6
242.02179	1.8
243.02930	3.4
244.00058	2.4
258.01727	3.5
259.02457	35.1
260.02853	2.5
269.00845	0.8
271.04681	1.7
271.99393	0.6
275.01672	0.5
286.01025	0.6
287.01968	100.0
288.02316	6.7
290.33270	0.5
303.01346	0.8
331.00946	16.5
332.01224	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2334
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
57.03320	0.9
59.01250	2.4
59.69493	0.4
60.04585	0.4
68.34875	0.4
69.03333	0.7
71.01272	1.0
71.06689	1.2
73.02826	0.9
83.04885	1.1
85.02824	1.1
97.06464	1.0
99.08040	7.2
118.55637	0.5
121.10127	0.6
125.09625	1.0
127.11179	3.1
129.09152	0.5
139.11198	6.0
153.02025	0.5
155.14339	0.6
157.12308	0.7
165.12764	1.0
167.14333	1.0
171.10182	14.6
180.57710	0.5
183.13835	5.0
193.12238	2.0
209.11772	1.4
211.13341	29.7
212.13713	1.4
229.14421	15.3
229.16768	0.6
230.14760	0.8
254.18723	0.5
270.98770	0.9
293.21237	1.2
298.98410	1.7
299.98965	0.5
310.45401	0.4
311.22321	1.0
314.00861	1.2
329.23328	100.0
330.23642	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	330.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.4
59.01257	3.1
61.64335	0.4
62.16914	0.4
65.99712	0.5
71.01256	4.7
73.02825	1.2
75.20596	0.3
79.95619	1.1
83.01249	1.3
85.02839	2.2
89.02321	1.6
95.01243	0.7
99.00735	0.4
101.02325	4.3
102.99567	0.4
107.01282	0.4
109.02857	0.5
111.00770	0.5
113.02327	1.6
119.03393	1.1
119.04917	19.9
121.02791	0.4
123.00785	0.9
125.02335	2.6
135.04463	2.4
137.02344	2.7
138.03133	6.7
139.00258	0.4
140.01051	0.8
151.00352	0.4
161.04460	0.6
163.03900	1.3
167.02122	2.2
168.02939	100.0
169.01424	3.3
169.03276	3.6
175.51756	0.3
199.00627	5.9
199.03746	0.5
201.09476	0.6
211.02400	2.4
215.00177	3.7
230.99287	0.6
242.99640	0.7
270.05157	0.4
271.99362	0.4
285.07748	1.3
286.98218	0.4
300.09979	1.1
315.42615	0.4
330.08325	6.3
330.97235	0.8
331.05066	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	330.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36137	4.7
58.00462	6.6
59.01248	100.0
68.17902	4.4
70.08619	5.5
71.01257	71.9
71.57260	7.2
72.99168	13.1
85.02804	13.0
87.00752	7.4
89.02319	64.8
90.59834	4.4
95.01271	6.2
95.13467	4.9
101.02315	28.8
105.77744	5.3
107.01308	5.5
113.02312	20.7
118.86951	5.1
119.03381	23.3
123.00784	9.9
125.02337	33.5
138.01923	6.1
139.00272	7.8
140.01044	5.0
151.02644	6.7
152.03506	25.8
152.04512	4.5
158.81577	5.5
166.01390	7.5
168.00523	17.8
168.02933	88.3
169.01384	41.3
170.01735	7.5
192.03012	5.9
203.03282	6.0
210.03995	17.0
211.02370	37.3
216.81528	4.8
243.46033	4.8
258.62329	6.4
270.06400	7.8
271.04584	57.5
276.23685	4.9
298.84399	4.9
312.74420	4.5
330.05273	6.4
330.08337	70.1
331.06693	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	329.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74618	2.2
50.87400	2.0
51.85218	2.1
55.01754	8.2
55.02016	2.0
57.03321	5.8
58.00477	4.4
59.01252	100.0
68.33171	2.2
69.03314	3.4
71.01255	96.6
71.57188	3.9
72.99181	5.4
73.02819	19.1
81.75706	2.1
83.01252	11.3
85.02824	33.3
87.00761	5.6
89.02317	53.6
95.01289	7.0
99.00797	10.9
101.02325	72.9
109.94920	2.4
111.00741	2.5
113.02334	34.4
119.03411	26.3
125.02327	8.5
128.16138	2.7
143.03415	3.5
145.13379	2.2
159.02931	3.0
161.04478	7.2
167.10663	8.9
168.02954	3.3
169.01318	8.4
169.55478	2.0
214.21115	2.1
277.12512	3.2
329.16199	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	329.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98538	2.7
54.06938	2.8
54.81961	3.3
55.01753	10.6
57.03318	9.1
58.00463	6.9
59.01253	100.0
65.18508	2.9
71.01254	84.2
71.57449	5.1
72.99171	6.7
73.02812	21.7
73.50712	3.5
77.18506	3.0
83.01258	14.2
84.84382	3.3
85.02827	42.8
87.00748	9.5
89.02316	57.5
95.01257	12.6
97.02818	5.2
99.00750	7.8
101.02322	77.0
102.81306	2.9
107.01270	4.5
111.00740	5.9
113.02335	34.5
119.03416	25.4
119.04881	4.0
121.02817	5.7
123.00761	7.8
125.02348	23.7
143.03345	3.5
149.02351	72.0
161.04480	6.4
164.04691	12.5
167.07016	8.4
167.10651	5.3
169.01338	30.3
177.03966	3.7
191.06482	3.2
223.02414	6.5
232.53300	3.9
270.93307	3.3
270.98914	5.2
283.04568	7.8
285.38052	3.5
298.98434	9.5
314.00668	8.0
314.11603	23.5
315.11966	4.0
329.13708	16.0
329.16147	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	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
54.15429	0.5
57.03331	3.1
59.01251	1.3
69.03324	3.3
69.52944	0.5
71.01234	1.5
71.57387	0.8
81.03323	0.7
81.65481	0.5
83.04886	1.3
84.02028	0.8
85.02823	10.4
95.01233	0.5
95.04925	0.9
97.02822	1.4
97.06458	4.9
101.02354	0.6
109.06472	0.8
120.04328	0.5
124.52519	0.5
125.09599	2.0
127.11170	3.2
137.09636	3.4
153.09067	0.6
155.10675	1.5
165.09023	0.9
165.12766	1.4
167.14211	0.5
171.10175	25.4
177.12776	1.0
181.12300	0.6
183.13831	4.3
185.11797	1.3
187.82494	0.6
193.12335	1.5
197.11922	1.0
201.11269	1.6
209.11792	2.2
211.13339	22.2
212.13663	1.5
221.11848	3.7
229.14395	15.1
230.14786	0.6
233.25276	0.5
239.12830	2.7
241.14615	0.6
265.17868	0.6
268.50052	0.5
291.19659	3.8
309.20749	1.8
327.21747	100.0
328.22003	9.9
341.76062	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19205	0.9
53.79473	0.9
55.60422	0.9
59.01246	2.1
70.72186	1.0
70.72504	1.8
71.01250	10.0
73.02821	3.7
81.58350	1.0
85.02813	4.7
99.00760	2.0
101.02335	7.3
108.02094	1.5
109.02859	3.2
113.02290	4.7
121.02856	2.8
122.03629	100.0
123.04469	8.6
125.02399	1.3
135.04369	1.3
137.02330	2.9
137.05995	1.1
159.02861	2.2
161.04475	9.6
165.05464	7.2
169.01314	1.3
177.05524	2.4
223.92000	1.0
254.38919	1.0
285.09747	1.9
298.98502	1.1
329.05328	1.4
329.08878	2.6
329.16193	1.1
347.02231	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1143
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
54.75386	1.2
59.01240	3.0
70.71757	1.1
71.01259	2.8
71.57118	1.5
82.02869	9.4
85.02820	1.4
106.06504	10.4
108.04410	2.8
111.91422	1.3
120.04394	1.7
121.02822	1.9
122.06004	2.9
125.02355	2.4
130.00502	1.9
132.03458	2.3
132.04448	36.3
133.05220	2.3
134.06012	45.3
135.06294	2.1
136.03902	2.3
148.03940	2.0
149.02356	7.2
149.04700	5.2
160.02739	1.5
160.03961	22.1
161.04735	40.1
162.05519	99.8
163.05827	4.4
169.01299	2.5
176.03416	4.5
177.03946	1.3
188.03604	1.3
193.03729	61.4
193.05524	2.9
194.04155	4.4
201.98933	2.3
212.07152	6.0
213.08011	3.2
214.08649	6.8
226.08704	2.3
240.10184	1.6
241.06158	9.7
242.06647	1.8
242.11867	4.8
243.11255	3.0
256.08163	1.4
257.09323	9.5
268.09839	3.3
269.09332	7.9
270.98758	5.4
283.04935	1.4
285.00305	1.5
285.12439	100.0
285.97537	9.8
286.12772	7.2
298.98169	4.5
300.99799	2.3
311.10391	13.5
314.00626	5.5
314.11591	2.7
328.99304	5.1
329.02997	4.5
329.11362	84.0
330.11670	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	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03326	2.3
59.01244	1.9
59.82577	2.0
63.97692	1.7
71.01259	2.6
71.34291	4.1
71.34641	2.7
72.45356	1.6
72.63438	2.0
73.02802	5.5
83.44796	1.6
90.32332	1.8
95.04907	1.8
95.63025	1.7
97.06464	2.4
99.08035	4.3
112.05202	2.2
115.07533	4.1
118.16598	1.8
125.09615	2.3
127.07541	5.4
127.11221	2.6
129.09111	38.9
141.09099	15.6
141.12827	1.9
155.10689	33.9
171.10202	32.1
185.10205	3.9
185.11761	59.8
197.11772	53.5
209.11720	9.4
247.17249	2.0
247.20558	2.0
291.19681	17.4
292.20163	2.3
309.20734	36.6
310.21075	2.5
327.21768	100.0
328.22043	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	327.1087
Annotation	Androsin
Peak:m/z	Relative Intensity
57.03322	0.9
58.00465	2.5
59.01252	37.8
60.01576	0.6
69.53372	3.9
71.01254	21.9
72.99186	4.9
73.02816	1.3
83.01253	1.9
85.02823	5.4
87.00775	1.3
89.02318	16.8
93.03361	0.6
95.01272	2.3
101.02324	13.4
113.02328	6.5
119.03396	7.7
119.04887	4.5
123.00758	0.6
125.02312	1.4
125.45278	0.5
143.03369	0.6
147.04417	100.0
148.04729	3.5
161.05994	0.6
165.05481	15.5
166.05844	0.5
169.01331	1.8
179.05505	0.7
273.60437	0.5
327.10834	38.7
328.11172	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
54.15852	4.0
59.01249	5.4
71.56629	3.8
71.57111	5.4
115.07536	100.0
127.27534	3.5
129.09077	14.0
147.34712	4.2
153.12743	42.5
155.10641	5.2
155.21594	3.3
171.10085	5.4
183.13782	4.3
197.11789	32.5
199.00681	17.0
199.13327	18.9
203.19958	3.7
211.13223	4.5
215.12811	82.1
216.13188	4.9
227.12813	53.6
228.13245	4.4
229.14420	67.9
230.14671	5.3
265.21756	4.2
291.19681	6.7
299.22244	15.5
309.20648	23.3
327.16220	33.2
327.21777	33.4
328.22427	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
58.00477	1.3
59.01253	2.8
63.60977	1.1
69.03303	1.5
71.01232	2.7
71.56860	2.2
73.02812	3.8
84.02040	1.4
98.03610	2.8
99.08015	2.2
103.65750	1.4
109.06451	1.1
115.07534	1.6
125.09592	1.5
127.07513	6.6
129.09105	35.4
130.09378	1.2
141.09109	16.4
141.12737	1.6
142.09494	1.2
155.10704	2.3
171.10129	3.3
173.08099	1.7
175.32626	1.2
185.11743	61.0
186.12135	3.0
197.11755	58.2
198.12148	2.5
199.00638	1.8
200.67320	1.4
209.11737	10.2
209.40550	1.2
229.12250	1.1
232.53488	1.3
247.20604	1.3
255.79095	1.1
257.52338	1.2
266.82739	1.1
291.19638	12.4
292.20096	1.3
309.20685	21.4
315.69690	1.2
327.16431	3.9
327.21741	100.0
328.22043	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.8
57.03318	3.3
58.00472	4.9
59.01252	87.9
64.97799	0.8
69.67963	5.3
70.84114	0.7
71.01253	64.7
72.01591	1.0
72.99189	7.6
73.02820	75.0
74.03165	1.9
75.00744	11.9
83.01251	2.4
85.02831	15.6
87.00224	2.0
87.00755	37.4
89.02319	51.6
90.02645	1.6
93.03340	3.0
95.01273	3.7
99.00761	9.5
101.02320	33.3
101.33920	0.8
102.02638	1.1
103.03898	3.3
105.01842	1.1
113.02332	19.9
115.00265	18.0
117.01847	4.3
119.03391	24.8
123.00755	1.1
125.02319	2.8
129.01816	2.1
131.03374	1.2
133.06493	0.9
143.03384	1.7
147.02882	2.0
149.04497	1.1
151.07599	1.6
159.02888	1.0
161.04497	2.5
165.01869	2.0
165.05415	1.3
165.07623	2.2
169.01268	1.3
175.02420	25.9
175.03957	1.8
176.02721	1.0
177.05547	1.9
179.05525	5.7
193.05023	0.9
237.06097	1.6
246.67616	1.0
264.21429	0.9
266.31097	0.9
266.67526	0.8
267.07245	1.4
327.03210	3.5
327.09326	100.0
328.09698	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	325.2021
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
59.01247	4.6
62.31544	1.6
69.39935	6.2
69.40356	8.7
80.02535	2.2
81.05031	1.5
83.04903	8.1
97.06506	1.8
98.19830	3.8
110.08037	1.5
115.07528	7.0
116.76669	1.7
125.09619	4.2
127.11213	2.1
129.96544	1.7
135.08005	1.8
137.09641	3.0
147.11740	1.6
152.62227	1.7
155.10712	8.9
163.11183	6.8
165.12761	4.6
173.84277	1.6
174.76512	1.9
178.09897	6.3
183.01129	2.7
191.10690	2.4
208.74828	1.6
209.11772	100.0
210.12025	4.2
223.07674	2.5
225.09146	2.1
227.03470	1.7
253.18263	1.9
267.02890	2.9
269.08157	1.8
279.06516	2.8
281.04474	2.3
281.21371	2.5
282.05130	2.3
289.18069	4.4
295.06073	2.7
296.03415	2.7
296.06552	2.4
297.07669	7.2
307.06058	5.3
307.19138	97.0
308.19513	6.8
309.04016	3.8
325.07147	52.3
325.18076	4.9
325.20016	4.8
325.23862	6.4
326.07489	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	325.2173
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
52.79935	0.8
55.27365	0.7
57.48193	0.7
69.63969	5.2
79.95609	1.1
91.32815	0.8
98.19878	1.2
119.04919	1.2
120.59992	0.7
138.99219	0.8
145.41156	0.9
149.09630	92.1
150.09984	4.1
163.11201	100.0
164.11526	4.9
183.01151	29.5
184.01770	1.9
191.70703	0.7
194.56291	1.0
197.02661	1.1
216.00923	1.3
268.67325	0.9
297.07446	0.9
307.19608	0.8
325.07321	4.9
325.18317	55.7
325.21719	82.4
326.18640	6.7
326.22058	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	325.202
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
59.01241	8.2
69.82567	3.3
71.01256	7.5
71.57007	3.9
78.72964	3.7
83.04889	7.0
84.02068	3.9
85.02881	3.6
97.06396	3.1
99.08044	6.3
102.94439	2.9
115.07453	3.7
119.04980	4.1
125.09616	3.4
125.58718	3.1
127.07523	22.1
127.11210	3.2
139.07544	4.5
142.56088	3.2
151.11139	4.4
155.10686	5.5
165.12704	3.7
171.10252	3.8
173.18591	3.0
183.01157	28.6
185.11754	21.8
197.11745	23.3
209.11758	92.1
210.12054	5.0
238.12074	13.0
262.08453	3.4
289.18185	11.2
307.19150	100.0
325.07169	17.7
325.14761	41.5
325.20218	40.6
325.23752	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
53.97668	1.0
57.03312	4.5
59.01252	2.9
71.01248	8.0
71.04887	2.7
71.07004	1.8
73.02825	2.1
80.02566	1.2
81.03322	1.3
83.04890	5.6
84.02041	6.5
85.02835	1.7
95.04901	3.3
97.02877	1.1
97.06481	3.8
99.04398	1.9
99.08050	5.4
103.16817	1.2
109.06490	1.8
111.08030	1.6
112.05169	1.8
115.07542	4.1
123.08066	1.9
125.05975	1.7
125.09596	8.5
127.07549	20.6
129.81516	1.1
135.08035	2.7
137.09599	1.5
139.07524	5.8
153.09113	19.4
155.10684	5.5
163.11249	5.2
165.12788	3.1
171.10185	20.7
177.12805	1.3
177.27521	1.1
178.09933	4.1
185.11757	22.3
186.12068	1.1
191.10664	2.0
191.14374	2.9
193.15956	12.1
197.11763	22.6
198.12083	1.1
207.10245	1.7
209.11771	100.0
210.12134	4.9
211.16995	8.7
219.14034	1.2
236.10643	1.9
237.22398	1.3
238.12074	8.9
239.16512	1.4
245.19064	2.5
256.13144	4.6
263.20123	3.4
265.17950	1.6
279.19571	1.3
281.21249	4.8
289.18069	13.4
307.19165	99.8
308.19556	9.7
325.07175	1.7
325.17078	2.3
325.20197	55.9
326.20520	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	323.2227
Annotation	TOFA
Peak:m/z	Relative Intensity
53.50957	0.3
57.03321	1.8
64.00828	0.3
70.19381	0.3
73.02825	0.7
76.86369	0.3
79.75336	0.3
85.55888	0.3
121.02901	0.4
148.43576	0.3
152.80368	0.3
165.15120	0.3
193.94339	0.3
229.33769	0.4
241.09634	0.3
245.19162	0.3
261.22232	16.8
262.22614	1.6
279.23294	19.6
280.23682	1.5
284.17151	0.3
305.17914	0.5
305.21228	1.8
305.24338	0.4
307.02457	1.0
308.03198	0.5
322.98111	0.6
323.05499	2.1
323.22269	100.0
324.18961	0.6
324.22598	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	323.2227
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
53.41328	0.8
59.01239	2.6
69.86546	1.8
69.86959	2.5
71.01250	1.2
78.97215	0.7
81.14375	0.7
83.57480	0.7
85.02837	0.9
87.56906	0.7
95.52125	0.7
96.95862	1.1
98.19793	1.2
101.02293	1.0
113.02353	1.2
123.04408	1.8
137.05977	1.4
156.04140	1.0
165.09132	1.4
165.12764	2.5
179.10738	0.8
207.10178	1.2
209.11765	5.0
234.87601	0.7
248.32253	0.8
253.15016	0.7
261.22208	5.4
279.23355	0.8
287.19861	0.8
293.21387	0.8
305.17883	5.0
305.21198	100.0
306.21530	7.5
321.89194	0.9
322.97864	1.2
323.16599	3.8
323.22241	19.9
324.22614	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	323.2228
Annotation	TOFA
Peak:m/z	Relative Intensity
51.37470	0.8
54.49945	0.7
57.03331	1.5
59.01260	4.1
64.18240	0.9
71.55927	1.0
74.71655	0.9
81.06624	0.8
89.49389	0.9
96.95898	3.1
111.03397	0.8
128.69334	0.9
146.77269	0.9
164.70892	0.8
171.10184	0.9
171.84720	0.8
192.92056	0.9
197.11955	0.9
220.14726	1.8
237.15004	2.4
261.22253	13.3
262.22552	1.0
265.14813	3.1
279.23288	45.2
280.23618	3.6
299.99106	2.6
305.21246	2.7
322.98038	2.5
323.22275	100.0
324.22675	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91435	1.4
61.97018	1.5
63.26486	1.7
65.00166	2.6
65.66539	1.6
69.39357	1.9
69.39668	16.8
73.36092	1.8
77.43230	1.7
83.01285	1.9
105.19234	1.7
105.69249	1.6
106.79958	1.6
107.01279	7.3
117.03336	3.5
123.04038	1.5
133.02863	2.5
144.04411	2.0
151.00284	4.9
155.73605	1.6
159.04407	1.7
163.00114	1.6
169.01369	3.6
176.01103	3.5
177.01820	2.9
181.06537	1.9
183.04416	2.6
192.44479	2.1
193.03270	1.6
201.05501	3.8
211.03979	3.4
225.05472	5.2
227.03453	39.0
253.04959	3.8
255.02968	31.7
256.03644	3.7
269.04568	100.0
270.04861	8.5
284.03253	27.6
297.04123	2.3
301.43353	2.0
324.05093	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	325.0564
Annotation	Sinapoyltartronate
Peak:m/z	Relative Intensity
59.01258	7.2
60.53825	1.3
67.01749	2.0
69.03334	1.5
70.85860	3.8
71.01260	2.8
73.02814	3.6
81.03336	2.5
81.71449	1.4
83.01271	1.6
83.04896	3.4
85.02818	3.2
89.02337	2.6
92.22587	1.4
93.03338	18.8
95.01252	2.4
99.00777	11.1
107.01286	8.0
109.02843	4.8
111.00772	3.4
111.04400	7.7
113.02307	2.3
119.04928	2.3
123.00758	3.5
124.01582	2.5
125.02335	81.6
137.02348	16.8
138.02568	1.6
138.54533	1.5
139.00279	1.6
140.01073	1.8
141.20941	1.4
145.02895	1.5
145.04912	1.7
147.04395	1.7
150.82570	1.3
151.00217	1.6
155.03419	3.8
161.13660	1.5
163.03871	2.3
163.06082	2.4
168.00555	8.9
169.01338	100.0
170.01634	2.6
173.04417	5.0
175.03928	3.1
177.01932	2.8
182.76605	1.6
191.03438	13.1
193.01508	1.7
193.04956	6.5
201.05440	2.0
205.04936	2.5
209.00882	2.4
219.02934	4.4
221.00693	1.5
237.04031	18.8
263.01910	4.9
281.03571	1.5
281.06671	7.6
307.01160	1.9
325.05637	73.5
325.11469	5.3
326.06073	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	325.0715
Annotation	CCRIS 3210
Peak:m/z	Relative Intensity
51.27875	0.5
59.01229	1.4
65.26622	0.5
65.52279	0.4
71.01278	0.4
71.57219	0.6
76.67806	0.4
91.66109	0.5
101.02329	0.5
144.51912	0.5
158.03604	0.7
172.05188	1.1
182.03770	0.6
184.05222	2.7
185.11771	0.6
192.26277	0.5
193.32780	0.6
195.08023	1.0
196.05151	0.7
197.09654	1.1
198.03180	0.6
199.03880	0.6
200.04767	0.6
208.05150	0.6
209.05968	0.8
209.11757	1.2
210.06850	0.6
210.42401	0.5
211.03860	1.8
212.04741	0.7
213.01891	0.6
213.09134	1.7
214.02762	0.8
223.03976	0.5
223.07597	3.2
224.04771	0.7
225.05592	0.9
225.09181	3.6
226.02750	0.6
227.07011	0.7
233.05956	0.8
235.07722	1.1
236.04736	0.8
237.05505	1.1
238.06284	0.5
239.03453	1.4
239.07066	0.6
240.04201	1.5
241.08716	3.0
242.02206	1.9
251.03392	0.7
251.07106	3.7
253.05054	0.9
253.08662	1.6
254.05762	0.7
255.03099	0.6
256.03677	1.4
261.05579	0.8
262.06287	0.7
263.03531	0.9
264.04163	2.0
265.05032	1.8
267.03024	5.8
268.03741	1.9
269.08173	4.9
277.05081	1.1
278.05609	0.5
279.03021	1.9
279.06662	5.6
279.43539	0.5
280.03891	0.6
281.04553	6.0
281.08084	1.3
282.05331	5.4
284.03311	0.7
289.04944	0.7
292.03818	2.1
293.04507	0.9
295.02802	0.9
295.06134	2.1
296.03253	4.0
296.06921	4.1
297.04562	0.5
297.07666	13.6
298.07959	1.2
305.04565	1.1
306.05383	1.0
307.06088	7.3
307.19110	2.4
309.04022	6.2
310.04770	2.5
325.07162	100.0
326.07513	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	323.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.4
57.70782	0.7
59.01247	4.6
69.03320	0.7
71.01257	0.8
71.04883	0.9
71.13881	1.2
71.14211	1.0
75.89973	0.6
80.02544	2.3
81.03328	2.5
83.04897	9.5
84.02042	1.3
89.02306	1.0
95.04903	2.7
96.95925	0.8
97.02829	1.6
97.06461	2.2
99.04417	0.9
107.04907	13.8
109.06480	3.3
110.03632	2.2
111.04349	0.8
113.02421	0.7
113.05937	1.1
115.07510	0.8
121.02842	2.3
123.04387	1.2
123.08033	1.3
125.02333	3.0
125.05961	5.1
125.09602	7.7
133.02800	1.2
133.76314	0.8
135.04420	1.4
135.08041	6.3
137.05914	1.1
151.07507	0.9
153.09128	14.8
163.11223	6.3
165.12752	3.2
176.08342	2.9
178.09912	2.9
179.10411	0.9
181.12283	1.4
185.11789	2.6
190.09753	0.9
191.10695	3.3
197.11755	12.3
207.10181	6.6
209.11774	100.0
210.12099	6.4
225.11282	5.8
236.10530	3.0
239.59071	0.7
243.17500	1.5
245.15500	1.3
251.16470	0.9
253.10754	1.2
261.18549	7.3
263.16434	1.0
269.15662	1.2
277.18015	1.9
278.70926	0.9
279.19760	4.7
287.16525	8.7
299.99146	1.3
305.17630	70.5
305.21176	7.5
306.17926	5.5
306.21069	1.0
314.93915	0.9
322.98108	1.1
323.18607	12.8
323.22241	3.2
324.19061	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1864
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
57.03324	1.3
59.01246	8.2
67.59921	1.0
71.01256	1.4
73.02790	1.1
80.02527	1.3
81.03352	1.5
83.04904	8.1
84.02058	1.3
89.02308	1.6
93.03354	1.3
95.01236	1.3
95.04908	2.3
96.95889	7.1
97.02850	1.2
97.06452	4.5
98.19786	3.5
103.14290	1.0
107.04897	12.9
109.06467	4.0
110.03577	1.5
111.08038	1.2
113.05968	1.6
121.02810	3.0
123.04427	2.0
123.08051	2.6
125.02332	4.0
125.05949	4.1
125.09629	10.5
128.28032	1.2
135.08084	6.5
137.05946	1.3
151.11139	1.4
152.73373	1.0
153.09109	18.1
154.09515	1.6
154.58850	1.2
163.11203	8.8
165.12769	2.9
176.08353	2.7
178.09882	3.7
179.51396	1.1
181.12283	1.7
185.11728	2.9
197.11778	13.4
207.10185	9.2
209.11769	100.0
210.12157	7.3
225.11299	7.9
236.10477	3.1
243.17377	1.9
243.19572	2.1
245.15614	1.6
259.28674	1.2
261.18600	8.5
277.18015	3.1
279.19647	5.3
287.16479	11.0
288.16815	1.2
299.99158	1.5
302.46198	1.1
305.17578	84.5
306.17950	7.1
322.98120	1.6
323.15140	5.0
323.18594	23.4
323.22357	3.5
323.25714	1.3
324.18988	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	323.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03344	0.9
50.36429	1.1
52.69822	1.1
55.01756	1.4
57.03317	0.9
58.00467	4.4
59.01252	100.0
67.95702	0.9
71.01254	61.1
71.55848	1.0
71.56258	1.6
72.01597	0.9
72.99187	4.5
73.02834	1.6
80.51669	1.0
83.01263	2.7
85.02818	11.6
87.00753	3.3
89.02318	61.5
93.03320	1.4
95.01261	5.5
99.00793	1.4
101.02322	40.1
113.02332	25.6
113.09357	0.9
119.03389	30.0
124.25144	0.9
125.02348	1.3
131.03412	2.9
134.18774	1.1
137.44923	1.0
141.62225	0.8
143.03430	3.0
144.58469	1.0
149.04445	2.3
161.04453	3.0
163.03967	1.2
173.04425	2.0
179.05518	3.7
245.50905	0.9
284.96216	1.0
297.27280	0.9
323.10043	3.6
323.13452	83.5
324.13745	5.1
325.32669	0.9
334.23053	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
68.27478	1.4
71.01259	11.4
71.27664	1.5
71.27981	1.5
72.99162	1.3
81.83305	1.2
83.01254	1.4
85.02828	3.6
85.87872	1.1
87.00774	1.3
89.02317	8.4
93.91818	1.3
97.63132	1.1
101.02321	2.7
103.86754	1.3
113.02321	4.1
119.03372	2.5
119.98561	1.1
120.46813	1.2
131.03427	1.1
290.44199	1.2
323.13434	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	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84892	1.4
55.01775	1.9
57.03321	1.7
58.00458	4.7
59.01254	100.0
71.01258	53.8
71.92864	2.0
72.99179	7.1
80.81572	1.8
83.01256	4.5
85.02825	12.4
87.00716	2.2
89.02325	59.8
95.01275	2.9
101.02318	39.6
102.02725	1.6
113.02344	24.4
119.03391	33.4
124.04273	1.7
143.03400	4.4
158.13931	1.8
161.04510	1.8
179.05511	5.0
244.60727	1.6
279.47079	1.8
323.13470	94.6
324.13846	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	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.1
58.00463	4.7
59.01254	100.0
62.78827	1.7
63.18217	1.3
71.01255	51.4
71.56531	3.2
72.99188	5.8
73.02804	2.1
83.01254	3.8
85.02821	12.9
87.00732	3.5
89.02319	51.4
93.03282	1.6
95.01250	5.6
99.00725	2.0
101.02325	39.8
102.20285	1.3
113.02330	20.2
119.03395	22.5
123.31145	1.5
125.02353	2.4
135.04446	2.3
139.32205	1.4
143.03366	2.9
161.04427	2.6
163.03955	3.0
165.43188	1.5
169.01302	2.5
179.05548	1.9
193.56110	1.5
241.50655	1.5
323.09955	4.0
323.13464	51.8
324.13724	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	323.0561
Annotation	Pre-bikaverin
Peak:m/z	Relative Intensity
57.03337	0.3
58.58771	0.3
59.01236	0.6
63.86921	0.3
69.78117	0.2
72.28518	0.3
82.17666	0.3
83.04902	0.3
88.27797	0.3
93.57247	0.3
96.95892	0.9
107.04936	0.4
125.09620	0.3
128.16486	0.3
153.09123	0.4
161.94855	0.3
163.11223	0.4
180.05688	1.1
191.04936	1.0
197.11783	0.9
207.04581	0.6
208.05238	1.5
209.11772	3.7
215.50899	0.3
219.04585	0.3
234.03189	1.7
235.03911	1.7
235.54590	0.3
239.06915	0.3
261.18851	0.4
261.21948	0.3
263.03513	0.9
264.04312	1.7
282.01605	0.4
299.98798	0.3
305.17538	2.2
306.01743	0.6
307.02484	52.2
308.03165	14.1
309.03757	0.7
323.05603	100.0
323.18643	1.3
323.22510	0.7
324.05923	9.4
332.06641	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1343
Annotation	Methoxycurvularin
Peak:m/z	Relative Intensity
55.01772	0.3
59.01231	0.4
65.00194	0.7
67.01766	0.9
68.52370	0.3
68.99702	0.7
69.03316	0.7
69.30630	3.6
71.01261	0.9
72.99177	1.0
83.01259	1.3
83.33243	0.4
95.01278	0.9
96.95905	0.3
97.02813	0.6
98.19827	0.6
106.00458	0.3
109.99969	1.1
111.00770	6.6
111.01487	0.2
123.00755	2.1
124.01535	4.3
124.02299	0.4
125.02341	23.8
126.02653	0.6
127.00278	2.6
136.98720	4.6
139.00264	6.1
140.01059	11.1
141.01436	0.4
151.00256	0.5
154.99771	1.2
160.98694	0.9
168.00555	6.2
169.01344	15.9
170.01685	0.7
174.59312	0.3
181.01512	0.3
237.07686	1.5
251.09084	0.4
291.12387	13.0
292.12793	0.9
303.12418	1.5
321.13428	100.0
322.13788	8.2
322.27505	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1342
Annotation	Methoxycurvularin
Peak:m/z	Relative Intensity
59.01241	2.8
61.04742	0.9
65.00198	2.5
67.01750	2.7
68.99709	0.9
69.33182	8.9
70.11276	1.1
71.01258	2.9
71.04893	1.9
72.99194	2.5
79.01749	0.8
82.78476	0.9
82.92632	0.9
83.01254	1.5
95.01254	1.5
96.99189	1.4
98.20676	1.6
99.00765	1.1
106.00449	1.0
107.01284	2.6
109.99989	1.5
111.00770	15.5
123.00773	10.0
124.01547	6.9
125.02340	13.5
127.00289	5.2
136.98708	10.7
139.00269	16.9
140.01070	24.0
141.01813	1.1
151.00272	11.5
154.99803	1.8
160.98627	1.4
167.99150	1.7
168.00555	23.6
169.01353	19.0
175.20497	0.9
175.69560	1.0
177.01883	1.3
277.14587	1.9
277.18045	1.5
278.14606	1.0
321.13443	100.0
322.13751	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	321.1343
Annotation	Methoxycurvularin
Peak:m/z	Relative Intensity
51.90664	0.6
53.00573	0.6
59.01258	0.7
65.00208	1.8
67.01759	2.8
68.99699	1.1
69.51775	3.7
69.52194	1.5
71.01250	1.8
72.99190	2.0
83.01268	2.2
87.00761	1.1
88.50574	0.5
95.01282	0.7
96.95895	0.7
96.99162	0.8
98.20527	1.1
99.00769	1.0
106.00451	0.8
109.99985	2.5
111.00768	18.8
112.34629	0.7
124.01549	11.1
124.02425	0.7
125.02297	1.2
127.00249	6.9
136.98715	12.7
137.99022	1.0
139.00269	17.6
140.01059	25.7
154.99777	1.8
168.00562	41.0
169.01111	2.1
175.86896	0.6
178.06245	0.7
227.31485	0.6
229.97255	0.7
277.14499	2.9
321.13431	100.0
322.13751	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	321.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.3
56.07256	0.6
57.03328	1.1
58.00466	2.4
59.01254	48.4
60.01579	0.9
71.01257	24.4
71.57809	1.5
72.99166	2.4
73.02819	1.5
78.25111	0.8
83.01256	2.3
85.02831	6.8
87.00750	2.5
89.02325	22.5
90.02665	1.0
90.30609	0.8
95.01280	2.1
99.00774	1.0
101.02333	17.5
105.23760	0.8
111.00759	1.3
111.08035	0.9
113.02335	9.4
113.09612	32.9
114.09924	1.1
114.23550	0.8
119.03396	7.7
121.36813	0.8
128.41568	0.7
133.02899	1.0
141.09108	8.2
143.03406	0.9
143.10689	2.0
155.10686	3.5
159.10184	80.9
160.10493	2.4
169.01326	1.3
189.12817	0.9
201.11197	2.3
286.77292	0.8
321.15549	100.0
322.15903	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	321.2072
Annotation	3alpha-Hydroxyayapanonic acid
Peak:m/z	Relative Intensity
56.08337	0.5
59.01253	100.0
60.01580	1.2
69.51028	1.6
69.51450	2.7
71.01248	1.2
85.36639	0.6
86.13070	0.5
93.21651	0.4
96.95921	0.6
103.03925	0.6
104.87302	0.5
107.01252	0.5
247.20502	0.7
249.22124	0.9
259.20654	0.8
277.18607	1.0
277.21735	5.7
278.21899	0.6
297.20944	0.5
303.79437	0.6
321.20706	52.4
321.24091	3.2
322.21048	5.6
339.64871	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0933
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
57.03316	2.3
58.00459	3.9
59.01253	100.0
71.01257	64.6
72.99170	8.1
76.27798	1.5
83.01250	3.5
85.02826	9.5
87.00773	2.4
89.02323	67.1
91.82460	1.8
95.01269	4.7
101.02325	43.5
102.32820	1.8
113.02328	28.0
113.87771	1.7
116.04953	42.9
119.03397	27.3
135.04443	1.7
143.03363	5.3
160.03952	81.7
161.04382	5.8
169.01434	2.2
179.05490	5.1
194.50331	1.7
199.47981	1.8
202.05022	34.5
229.80760	2.1
231.89201	2.2
232.06068	7.8
262.07193	59.4
263.07449	5.3
278.03891	2.6
322.03412	2.4
322.09302	54.5
323.01944	2.4
323.09573	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	321.0977
Annotation	Luisol A
Peak:m/z	Relative Intensity
59.01223	1.1
65.00197	1.9
67.01765	3.2
68.99696	1.9
71.01245	3.8
71.10723	1.1
71.57732	1.8
71.58132	1.8
72.99193	3.8
79.01735	1.2
81.03335	3.1
83.01254	4.1
83.04873	2.2
95.01257	2.9
95.20328	1.0
96.95882	1.7
106.00546	1.5
107.01259	11.2
109.99967	3.4
111.00764	21.5
120.11655	1.0
123.00774	21.5
124.01550	10.6
125.02347	24.3
125.76625	1.2
126.47060	1.0
127.00245	7.2
136.98712	15.4
137.05972	9.3
139.00261	25.8
139.03905	1.4
140.01067	37.9
141.01845	2.0
151.00290	24.2
154.99791	3.1
168.00572	36.7
169.01347	37.0
170.01624	1.3
183.02962	9.1
189.05464	1.6
193.01582	1.5
203.07138	1.3
229.10309	1.1
277.10846	4.0
289.07190	3.4
321.09814	100.0
321.13388	15.2
322.06943	1.1
322.10123	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	319.14
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81496	1.2
55.01764	1.8
57.03312	2.4
58.00462	4.5
59.01251	100.0
71.01254	68.3
71.01846	1.7
71.97060	1.4
72.99167	7.9
83.01257	3.9
85.02827	13.1
87.00758	3.1
89.02318	75.5
89.07970	1.4
95.01247	4.0
96.95845	1.7
101.02319	45.1
113.02333	28.3
119.03393	37.5
119.04760	1.3
131.03349	2.6
137.48782	1.3
139.00166	1.3
139.07550	65.6
140.07889	1.6
143.03377	3.6
148.12758	1.2
149.04445	2.4
161.02339	2.3
161.04401	2.7
175.03873	1.6
179.05449	5.1
230.41774	1.7
235.02637	1.5
319.00800	1.9
319.13965	29.3
320.14243	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	320.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61346	0.4
50.97231	0.4
59.01249	2.5
59.46729	0.3
65.33712	0.4
69.28976	1.2
69.29401	2.9
85.02816	1.2
96.95915	0.5
98.20503	0.9
105.05721	0.5
117.08061	0.4
118.06516	0.4
119.07298	0.9
132.08093	0.9
134.09650	40.2
135.09981	1.6
148.11249	0.5
160.07664	0.4
161.08365	0.8
172.11319	0.7
175.09981	1.8
189.11462	0.8
190.12299	100.0
191.12621	4.7
208.14995	0.4
214.15860	0.6
223.68054	0.4
232.16998	2.4
246.11293	0.4
258.14978	0.8
276.16034	17.8
277.16443	1.3
302.13928	3.2
320.15030	10.6
321.15344	0.6
335.99957	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1397
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
59.01261	21.7
71.01257	25.1
73.02814	6.8
76.88802	3.9
85.02819	5.8
89.02298	8.7
90.57448	4.0
90.94189	3.4
101.02326	16.5
109.06462	3.7
111.08048	16.8
113.09670	6.0
119.03373	4.9
139.07559	39.9
157.08611	78.2
229.25487	4.1
269.47556	3.8
305.29874	4.5
319.13995	100.0
320.14301	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	319.1399
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
51.66589	0.5
55.01759	1.0
57.03321	0.5
58.00467	1.0
59.01254	18.0
59.19331	0.4
60.73889	0.4
69.20432	0.4
71.01253	12.0
72.99189	1.4
73.02827	1.2
73.19987	0.4
75.48865	0.4
83.01262	1.6
85.02821	3.8
87.00713	0.5
89.02322	10.5
95.01255	1.0
99.00753	0.5
101.02322	11.1
102.24560	0.4
111.08050	8.9
113.02331	5.0
113.09595	0.5
113.59614	0.4
119.03394	5.7
139.07553	37.5
140.07881	1.2
157.08620	21.4
158.08948	0.7
161.04451	0.6
233.32420	0.4
319.13980	100.0
320.14319	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	317.212
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
52.99593	0.3
70.65567	0.3
72.56456	0.3
76.71950	0.2
98.19818	0.8
148.23666	0.2
184.09320	0.2
196.08652	0.3
206.96121	0.3
222.08858	0.2
229.15997	0.3
229.61122	0.3
242.99574	0.3
316.99365	2.6
317.21201	100.0
317.99551	0.2
318.21542	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	319.1186
Annotation	Bussealin A
Peak:m/z	Relative Intensity
53.00177	0.4
53.11461	0.6
65.00187	1.0
67.01762	1.5
68.99688	0.8
69.03320	1.1
70.65119	0.5
71.01241	1.1
71.01453	0.8
71.01785	0.5
72.99194	1.3
81.03333	1.8
82.00471	1.0
83.01267	1.8
87.00724	0.6
95.01270	2.3
97.02819	1.6
107.01283	0.8
109.99976	2.6
111.00766	12.0
123.00792	5.2
124.01543	8.9
125.02341	39.2
126.02662	0.7
127.00246	5.1
136.98714	6.9
137.02319	0.7
138.03125	1.5
139.00264	12.8
140.01050	21.0
140.02148	1.0
151.00238	2.8
151.03862	0.9
154.99767	1.1
164.92842	0.5
167.10677	0.6
168.00554	12.6
169.01335	31.1
170.01703	0.6
181.01355	4.0
195.02966	1.0
223.06020	0.9
289.10812	9.4
290.11221	1.3
291.12341	7.3
301.10883	3.2
319.11853	100.0
320.12265	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	317.0334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30046	0.4
59.01267	0.5
65.59418	0.4
74.28311	0.3
75.22265	0.3
79.95605	5.2
83.04815	0.4
93.03344	0.5
96.95910	0.5
107.04918	1.1
108.61420	0.4
119.04917	100.0
120.05255	4.3
125.02351	1.0
129.59291	0.4
133.02820	0.8
135.04411	11.2
135.05434	0.6
136.04741	0.6
145.02872	1.1
146.79005	0.4
161.02361	1.0
163.03915	7.9
169.01294	0.9
173.02271	0.5
187.00438	0.6
189.01904	1.2
199.00632	41.3
200.00967	1.4
201.01938	0.5
215.00131	20.1
216.00436	1.0
217.01360	0.8
221.58704	0.4
229.97487	0.6
242.99564	4.0
245.00908	2.5
255.11183	0.5
270.98914	2.4
273.00415	3.8
273.12390	0.8
274.00793	0.4
298.98322	2.1
299.98935	0.7
315.98639	0.5
316.99371	14.9
317.03372	16.2
317.99716	1.1
318.03741	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07185	2.1
58.00472	4.8
59.01254	100.0
65.03837	3.4
71.01257	69.7
71.48848	2.5
72.99185	6.8
73.02818	2.4
79.95607	3.0
83.01258	2.2
83.92551	1.9
85.02820	12.9
87.00800	2.1
89.02322	67.8
93.06969	10.5
93.15961	1.8
95.01276	6.5
101.02328	40.0
106.31116	2.0
109.34137	1.8
111.00832	2.2
113.02330	29.3
119.03408	33.4
119.04913	47.4
120.05234	2.6
123.00780	6.8
125.02332	14.8
125.53417	2.0
131.03383	2.9
132.25026	1.9
134.80035	2.3
135.04407	5.4
137.05988	29.9
139.00278	2.0
143.03389	3.2
144.52061	2.0
154.01411	10.2
155.01701	6.0
155.07047	4.6
161.04556	3.2
163.03934	4.6
166.99805	2.7
168.00343	1.8
169.01370	15.0
170.01703	3.2
179.05505	2.9
189.01830	2.5
196.03500	2.0
199.00632	25.3
201.48067	2.1
215.00082	12.1
241.03455	7.7
242.99469	2.4
245.00980	5.3
270.98892	3.9
273.00537	5.0
273.04138	3.5
298.98422	3.9
302.00397	2.0
316.53430	6.9
316.99344	22.3
317.03406	18.5
317.12396	38.5
318.00015	2.4
318.12662	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	317.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86979	3.0
54.59733	3.5
55.58987	3.6
59.01263	4.5
63.02265	16.7
65.00198	24.2
67.01766	7.0
68.99697	10.5
69.03320	4.5
69.37460	17.7
69.37887	15.3
71.01242	7.7
73.41207	3.7
79.01781	11.7
81.03339	4.1
83.01275	20.1
88.18994	3.4
91.01781	12.2
93.03336	47.9
94.03647	3.8
95.01264	39.5
96.99213	5.2
99.00751	50.5
107.01277	37.2
108.02104	4.2
109.02831	41.1
110.00004	5.3
111.00755	45.8
117.03343	37.0
119.04927	7.5
121.02856	11.7
123.00766	58.9
123.04425	6.3
124.01555	13.2
125.02324	35.0
127.00281	5.5
131.04915	5.4
133.02838	9.3
135.00783	40.0
135.04425	8.8
136.98756	7.0
137.02367	21.8
139.00273	44.5
141.01842	21.9
143.04951	7.9
145.02835	13.7
147.04500	4.2
149.02429	8.1
149.99519	11.9
150.21164	3.8
151.00281	74.7
152.01022	4.8
153.01845	26.6
159.04399	17.4
160.13072	3.7
161.02364	34.6
163.00276	29.7
164.98303	5.7
165.01740	6.5
166.99811	43.8
168.00510	12.0
168.29282	3.6
169.01323	17.4
171.04454	8.2
173.02420	7.6
173.05974	10.5
174.03058	4.3
175.03940	8.8
177.99016	16.7
178.99776	69.9
183.04466	8.3
185.05966	4.9
187.03911	19.0
189.01872	18.5
190.99832	18.8
191.03398	6.2
193.01372	8.1
194.99312	32.0
197.00804	6.1
199.03969	10.0
201.05498	25.1
203.03394	21.7
206.99290	9.0
214.99728	5.5
215.03491	7.2
217.01305	12.1
217.05011	10.9
219.03047	7.2
225.07010	3.8
227.03439	16.9
229.05060	23.1
231.02946	52.1
240.08888	4.3
242.99339	7.5
243.02975	11.6
245.00900	18.6
245.04491	18.0
255.02977	14.2
255.11331	20.0
270.98959	23.0
271.02402	25.8
272.02948	5.8
273.00427	19.0
273.03995	13.2
273.12473	39.3
289.03616	26.0
298.98325	23.0
299.02011	22.9
299.98895	4.2
315.98819	4.2
316.99350	84.0
317.03043	100.0
317.09647	6.5
317.19772	6.5
317.99759	8.0
318.03250	7.2
331.63135	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	317.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	4.6
63.02263	15.0
65.00206	20.7
67.01771	10.5
68.99686	10.9
69.03330	5.4
69.28313	12.4
69.28728	37.6
69.90453	4.1
71.01263	8.0
79.01779	5.5
83.01263	17.0
91.01769	11.3
93.03327	29.5
95.01260	18.8
97.02836	7.1
99.00776	41.2
101.98341	5.0
107.01276	37.2
108.02089	4.5
109.02818	23.3
111.00774	37.9
117.03339	31.8
118.69992	4.1
119.04909	11.1
121.02833	11.0
123.00786	47.3
124.01452	5.1
125.02319	26.7
130.04118	4.8
131.04916	8.1
133.02803	12.6
135.00790	17.8
137.02332	16.8
139.00261	38.2
140.00983	4.8
141.01833	13.7
143.05003	7.0
145.02837	19.6
147.04382	5.6
149.02303	5.9
149.99530	10.8
151.00273	64.2
152.00987	9.2
152.69446	4.6
153.01822	19.1
158.03670	6.8
159.04454	15.1
161.02341	38.6
163.00241	21.9
163.03906	4.8
164.42856	4.6
166.99780	36.9
168.00395	8.3
169.01253	12.1
171.04398	9.6
173.02376	8.9
177.99042	9.3
178.99750	54.8
187.03954	12.1
189.01884	24.9
190.99834	12.9
192.00505	6.9
194.99255	32.2
195.97737	5.1
199.03961	7.9
201.05511	26.3
203.03407	16.3
205.05096	7.7
206.99251	11.7
208.00041	9.3
211.04002	5.9
214.99826	7.4
216.00298	4.4
217.01302	7.1
217.05051	6.0
219.02895	13.3
222.98816	5.2
227.03375	17.6
229.04939	21.9
229.40959	4.7
231.02937	37.1
242.99281	15.8
243.02934	6.8
245.00862	31.7
245.04501	17.4
255.02922	7.8
255.11337	12.0
270.98819	27.9
271.02405	18.1
272.03079	5.3
273.00388	26.7
273.04037	16.3
273.12473	25.3
289.03564	19.1
298.98303	21.4
299.01984	17.2
299.99057	6.9
316.99292	100.0
317.03006	88.9
317.19617	6.8
317.99539	8.7
318.03113	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	316.9938
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00174	1.6
71.01318	0.7
89.03843	0.9
100.07008	0.6
103.01861	1.0
105.03339	1.3
109.02802	1.1
113.08340	0.8
117.03362	5.8
119.01240	0.9
129.03304	1.1
133.02870	4.1
143.01279	0.9
145.01825	1.0
145.02858	12.5
147.00743	2.0
147.04364	0.9
149.02327	1.5
151.00201	1.9
157.02881	1.2
159.00790	2.7
160.01602	0.9
161.02367	9.0
163.00273	1.3
163.03822	2.5
166.02600	0.7
171.00772	2.7
173.02361	8.2
173.77122	0.6
175.00294	0.8
176.00999	0.6
177.01811	1.1
178.99825	1.7
179.01379	0.7
179.03363	1.1
187.00291	6.7
188.00664	1.0
189.00314	0.8
189.01863	12.4
199.00247	2.3
200.01062	1.6
201.01823	5.3
202.99738	0.9
205.01390	1.4
212.95082	0.7
214.37830	0.8
214.99770	6.5
216.00517	0.9
217.01398	10.1
226.99741	1.6
227.03442	0.9
228.00600	2.0
229.01338	2.2
231.49068	0.8
233.00821	0.9
242.99315	22.3
243.99857	2.7
245.00887	45.5
246.01225	2.4
261.00348	2.1
263.36166	0.7
270.98837	46.7
271.99188	2.9
273.00397	85.6
274.00772	6.7
288.99725	1.6
298.98325	70.5
299.98935	11.8
315.98618	1.7
316.99368	100.0
317.19666	0.7
317.99731	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.9937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83405	1.0
69.73035	1.0
71.01124	2.0
71.01447	1.0
79.64054	1.0
85.49952	1.0
91.85780	1.1
105.03321	1.2
105.43766	1.2
109.02817	1.3
116.38923	1.1
117.03339	6.0
119.04879	1.0
124.98534	1.1
129.03339	1.2
131.01241	1.4
133.02803	5.9
136.96153	1.1
143.01276	1.4
145.02847	16.1
147.00778	2.0
149.02301	2.1
151.00313	1.7
157.02911	1.2
159.00787	2.6
161.02350	10.3
163.03923	3.5
171.00827	2.4
172.01567	1.3
173.02347	10.9
177.01881	1.2
187.00293	6.5
189.01855	14.2
199.00316	3.1
200.01105	2.2
201.01892	5.1
205.01443	1.4
213.00475	1.2
214.99788	7.5
216.00504	1.9
217.01366	13.7
221.60626	1.0
228.00600	3.0
229.01425	2.1
233.00708	1.3
242.96849	2.0
242.99319	29.6
243.99731	2.4
245.00877	48.8
245.03447	2.4
246.01198	2.7
261.00351	2.6
270.98831	55.7
271.99249	2.9
273.00400	72.1
274.00760	5.0
288.99353	1.3
298.98315	63.9
299.98935	12.6
315.98572	2.2
316.99368	100.0
317.99646	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	315.0723
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
64.81533	0.7
68.18074	0.7
71.01245	3.0
71.14306	2.0
76.82860	0.8
84.79872	0.8
85.02834	3.1
85.84188	0.7
89.02321	1.0
94.95908	0.8
95.01264	2.6
99.00803	0.7
101.02323	1.4
108.02055	100.0
109.02861	25.1
113.02325	1.3
121.02869	1.4
123.00771	0.9
147.08932	0.8
151.03920	1.9
152.01064	78.8
153.01862	27.3
154.02115	1.2
163.03990	1.5
165.01889	1.8
302.77258	0.7
303.03720	0.7
304.06650	0.7
315.07220	58.3
316.07535	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	315.0723
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01244	0.5
68.99696	0.4
69.03315	0.3
71.01258	2.2
73.02805	0.9
76.40464	0.3
81.03334	1.2
83.01289	0.5
85.02827	2.2
93.03333	0.6
95.01280	1.1
99.00697	0.5
101.02319	0.9
108.02054	100.0
109.02856	30.3
110.03168	0.5
113.02319	1.0
121.02821	0.9
123.00754	1.1
123.04389	0.9
125.02380	0.5
126.33673	0.3
148.44923	0.3
151.03915	1.6
152.01060	63.6
153.01849	28.8
154.02188	1.0
163.03912	1.3
165.01860	2.4
192.29305	0.4
225.03929	0.5
229.31699	0.3
315.07220	70.2
316.07480	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	315.0148
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
53.51117	1.9
63.02267	9.7
65.00195	23.3
67.01746	2.5
68.65199	2.1
69.47958	17.2
79.01751	1.8
83.01259	11.4
86.87407	2.0
91.01791	3.5
93.03352	5.9
95.01257	3.1
98.20561	4.6
105.03383	2.1
107.01271	25.6
109.02848	4.2
109.99999	7.1
115.05443	3.2
117.03373	4.2
119.01286	4.2
121.02843	5.7
123.00769	4.1
125.02340	7.4
131.01312	4.8
131.04926	2.5
133.02879	6.6
135.00807	10.9
137.20860	1.8
139.00267	6.8
139.03908	6.3
143.04951	7.1
145.02762	2.2
147.00826	3.7
147.04428	6.8
149.02328	15.1
151.00284	100.0
152.01022	4.6
155.26888	2.2
157.02855	3.6
159.00793	8.1
159.04436	11.2
161.02336	5.2
163.00328	13.0
163.03990	3.3
164.01126	2.9
164.98195	3.8
165.98996	5.4
166.99860	1.9
169.01294	4.5
171.04436	15.3
173.02412	6.1
173.99236	2.1
175.00314	8.6
175.03920	6.7
177.01842	8.7
178.99797	51.0
185.02373	3.5
187.00357	9.9
187.03952	14.9
189.01894	6.9
191.03363	4.4
197.02458	3.1
199.03909	8.9
201.01935	9.2
202.99718	4.2
203.03479	13.1
205.01381	3.8
213.01855	2.3
214.99902	12.4
215.03459	25.4
217.01440	8.3
219.02940	6.4
219.97971	2.7
227.03499	4.3
229.01443	2.5
230.99368	20.2
231.02875	13.2
241.01311	2.6
242.99298	4.4
243.02930	19.8
245.00996	3.3
258.01590	2.4
259.02435	25.6
271.02484	18.3
271.06113	5.3
272.02737	3.6
286.98373	21.2
287.01984	54.1
288.02231	3.1
299.01868	3.2
299.99142	3.6
314.97824	39.2
315.01505	93.0
315.98383	7.5
316.02023	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86960	1.4
51.39276	1.5
59.68145	1.5
63.02261	5.4
65.00195	17.1
71.21552	3.5
72.99171	1.4
74.55822	1.6
83.01246	6.1
91.01758	1.6
93.03337	2.7
95.01261	3.4
106.00472	1.9
107.01280	18.6
109.02831	4.7
109.99949	7.1
111.00768	3.8
115.05435	2.4
117.03366	2.5
119.01275	2.4
121.02838	3.0
123.00776	4.3
124.01527	1.6
125.02365	3.6
131.01273	5.5
133.02861	2.0
135.00824	8.6
136.98689	1.6
137.99460	1.9
139.00334	4.1
139.03925	2.9
143.04898	6.0
145.02841	4.5
147.00774	5.3
147.04430	3.4
148.64529	1.5
149.02339	5.4
149.99463	2.7
151.00284	60.6
152.01027	2.9
159.00804	10.3
159.04364	7.5
160.01524	2.5
161.02347	4.3
163.00269	7.1
163.03970	2.1
164.01074	2.1
164.98167	2.3
165.98949	3.3
169.01323	5.8
169.02751	2.8
171.04453	7.6
172.01508	2.1
173.02336	4.4
175.00240	10.5
175.03929	3.3
177.01854	3.8
177.98987	2.0
178.99800	28.6
185.02379	2.1
187.00253	8.5
187.03944	11.0
188.00911	1.8
189.01842	3.2
194.99364	2.2
198.03214	2.6
199.03917	5.7
200.01175	3.1
201.01900	4.3
202.99783	6.0
203.03374	8.7
214.99773	12.6
215.03491	16.2
216.00455	5.1
217.01350	4.8
219.02917	4.2
227.03348	2.3
230.99342	23.7
231.02806	8.2
242.02003	2.2
242.99298	8.8
243.02948	16.8
244.00027	4.4
245.00710	2.9
258.98843	4.9
259.02448	15.7
270.98761	2.3
271.02481	12.1
271.99573	2.3
286.98297	25.9
287.01938	36.2
287.98822	2.1
288.02069	2.5
299.99115	100.0
300.99435	4.5
314.97791	56.3
315.01450	99.9
315.98242	6.5
316.01959	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	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
52.78880	0.4
57.03304	0.7
59.01250	1.0
62.31083	0.4
70.04634	2.5
87.63866	0.5
90.49511	0.5
111.08016	1.1
127.11159	1.2
129.09096	1.6
134.60507	0.4
147.23192	0.4
153.12753	5.0
164.96278	0.5
165.68428	0.4
169.12210	3.2
181.12256	9.9
183.01135	0.8
197.02695	1.0
197.11772	0.9
199.13364	1.5
200.13560	0.4
227.12849	0.6
228.13580	1.1
239.23656	0.5
249.22182	1.3
265.21759	1.3
267.23428	1.3
281.21475	0.5
283.22693	0.6
287.24301	0.5
293.21240	8.7
294.21646	0.9
311.22269	100.0
312.22620	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0719
Annotation	Sylpin
Peak:m/z	Relative Intensity
52.86883	0.2
62.19669	0.2
75.29204	0.2
77.03857	0.2
93.03380	0.2
98.19811	0.3
121.02849	100.0
122.03172	3.3
134.62260	0.2
180.05655	0.9
181.06520	4.1
196.20250	0.2
205.54041	0.2
220.93538	0.2
225.05536	7.3
226.05920	0.4
269.08151	0.3
313.07190	10.5
314.07550	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0148
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
63.44360	0.1
65.00206	0.2
67.56139	0.2
69.70899	0.5
69.71312	0.5
91.01823	0.2
104.02534	0.2
107.01327	0.2
119.04879	0.2
132.02097	0.7
135.00807	0.3
144.02119	0.4
147.00830	0.3
148.01653	0.3
151.00253	0.8
159.00790	0.4
160.01575	2.0
162.03206	0.3
169.01407	0.2
172.01579	1.9
175.00346	0.4
176.01085	0.6
178.99768	0.3
187.00261	0.4
188.01097	1.6
197.11739	0.2
200.01079	3.2
202.99855	0.2
214.99875	0.5
216.00572	4.8
226.99791	0.7
228.00606	0.8
230.99284	0.8
235.63945	0.2
242.99347	2.9
244.00095	3.4
270.98880	2.2
271.99506	0.7
282.98837	0.8
286.98343	0.3
289.16559	0.2
297.09851	0.2
298.98322	1.7
299.99100	100.0
300.99457	6.3
301.02899	0.3
308.38431	0.2
315.01450	48.0
315.98557	0.2
316.01810	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	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95426	0.6
57.03313	2.5
59.01258	3.0
65.21503	0.6
69.03329	1.0
71.01273	0.6
71.04535	0.9
71.04866	1.0
71.05843	0.6
78.94292	0.6
83.04897	1.8
99.08034	5.3
108.75498	0.6
111.08024	1.3
113.09618	4.7
127.07462	0.9
127.11202	0.8
129.08226	1.0
129.09116	11.6
129.10014	1.3
139.11179	0.9
141.09113	0.7
151.11171	1.5
153.12785	1.2
163.11270	1.1
167.10652	1.0
167.14377	1.4
169.12221	3.6
171.10139	1.5
181.12267	7.9
183.01166	1.4
183.13818	3.4
193.12268	2.5
195.13858	1.0
197.11748	15.2
199.13368	6.7
211.13330	28.3
212.13704	2.0
265.21698	0.9
275.20169	2.9
293.17993	1.5
293.21210	22.2
294.21570	1.7
311.13129	1.7
311.22256	100.0
312.22595	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03305	0.6
59.01245	0.7
62.34670	0.2
69.90064	0.2
70.43298	0.6
70.43688	0.5
75.95055	0.2
76.61736	0.2
83.04891	0.3
85.93472	0.2
89.21901	0.3
95.01290	0.4
97.06460	1.0
99.08027	0.6
103.73405	0.3
113.09598	1.1
115.07551	1.5
124.46435	0.3
127.07519	0.8
128.08307	0.9
141.09116	0.3
167.14313	3.8
183.01146	1.0
183.13809	2.8
195.12039	0.6
195.13840	11.7
196.14291	0.5
211.13370	1.2
213.14894	1.5
229.14424	0.5
239.23828	0.3
241.14433	0.5
242.15140	1.3
246.18993	0.3
247.17012	0.3
249.22269	0.6
265.21765	1.0
267.23160	0.7
269.40912	0.3
275.20221	0.9
283.22852	0.6
293.21219	10.4
294.21591	0.7
311.22269	100.0
312.17084	0.4
312.22623	8.1
314.51782	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2015
Annotation	Longithorone K
Peak:m/z	Relative Intensity
54.10355	0.3
59.01241	0.6
60.92413	0.3
65.66691	0.3
79.50611	0.3
79.95599	0.5
81.26712	0.3
88.06908	0.3
98.19788	0.9
98.40443	0.3
103.04842	0.3
119.04906	0.3
122.40476	0.3
133.06482	2.6
149.09622	100.0
150.09964	3.3
170.00394	0.5
183.01144	14.8
184.01791	1.2
197.02638	0.7
216.00952	1.0
249.22282	0.7
293.21237	0.4
311.16837	23.6
311.20184	47.9
312.17163	1.9
312.20532	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23689	0.6
57.03302	1.1
60.92467	0.6
71.04877	0.7
125.09615	2.4
127.45296	0.8
139.11180	1.5
153.12691	0.8
163.11198	5.2
165.12733	1.5
167.10760	1.2
167.14336	0.9
168.11433	2.2
181.12230	0.8
182.12970	1.5
212.97141	0.7
247.20595	0.8
249.22121	4.9
293.21219	100.0
294.21576	10.3
311.22260	86.0
312.22610	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	2.4
58.00452	1.1
58.67522	1.1
59.01243	2.8
76.59407	1.2
97.06473	1.3
98.20658	2.2
99.08034	3.8
113.09586	4.1
123.07987	1.3
129.09111	14.2
143.45015	1.2
151.11169	1.6
153.12669	1.1
163.11188	1.3
167.14375	1.3
168.61586	1.3
169.12250	4.9
181.12228	8.1
182.12669	1.0
183.13846	3.6
193.12314	2.7
197.11772	22.5
199.13345	10.4
200.13506	1.5
211.13338	29.7
212.13701	1.8
227.12727	1.6
275.20306	2.1
293.21228	24.6
294.21600	2.9
311.16638	2.5
311.22275	100.0
312.22537	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	311.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99746	6.4
57.86604	5.5
59.01254	100.0
65.87679	5.8
68.88943	5.6
69.73291	25.9
69.73695	12.7
71.01257	11.5
73.02824	7.2
85.02854	5.4
91.62670	5.0
95.97138	5.1
98.19842	6.0
113.02311	8.6
125.02354	12.7
138.03134	15.8
139.64595	5.7
143.37018	5.7
149.02333	11.4
158.59729	5.1
159.36725	5.5
161.04491	5.7
172.14844	5.6
177.05525	10.6
179.07108	38.8
205.05023	26.7
251.11357	17.6
272.05621	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	311.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00948	5.1
59.01252	100.0
60.01576	3.7
71.01245	10.3
72.99184	2.5
79.55564	2.3
82.73745	2.3
85.02832	5.0
98.19746	6.6
101.02319	9.7
124.01562	3.1
125.02318	5.6
138.03085	6.3
146.80823	2.4
151.97575	2.4
159.02959	2.6
161.04446	8.7
177.05446	6.4
178.16069	3.0
179.07082	11.8
199.70085	2.7
205.05000	16.7
223.06000	7.7
251.11324	15.9
267.05133	5.7
293.03061	2.6
310.77121	2.4
311.04004	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	311.0985
Annotation	Vicianose
Peak:m/z	Relative Intensity
53.44814	1.3
55.01778	1.9
57.03327	3.5
58.00463	2.7
58.69205	1.4
59.01253	73.0
60.01583	1.7
62.90237	1.8
65.39120	1.5
69.03324	2.5
70.58990	3.6
70.59384	2.1
71.01257	53.3
72.99187	4.8
73.02833	6.8
75.00750	2.1
83.01282	2.7
85.02831	10.9
87.00768	4.2
89.02319	71.1
95.01279	3.7
99.00762	3.9
101.02326	45.3
102.02638	2.1
105.94036	1.3
113.02338	22.1
119.03394	27.8
120.03725	1.6
124.01559	1.7
125.02358	4.0
131.03418	3.4
138.03137	10.2
143.03404	4.6
149.02368	3.8
149.04510	3.1
149.08112	12.4
149.36424	1.5
150.05505	2.9
152.01140	1.6
161.04507	5.8
164.01199	1.4
177.05519	2.1
177.46059	1.5
179.05569	4.8
179.07040	25.7
190.88388	1.7
197.36887	1.6
205.05026	16.7
210.03638	1.5
221.04521	1.4
223.06148	6.9
239.65157	1.4
243.22635	1.9
249.03967	1.9
267.05185	5.8
269.31631	1.6
311.04086	4.5
311.09924	100.0
311.13477	14.9
311.22128	1.9
311.29745	1.6
312.10309	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
59.01235	3.5
60.09221	0.8
60.52177	0.8
66.17026	0.9
71.57292	1.5
95.83985	1.0
99.00707	1.4
108.97124	1.0
118.60334	1.0
132.95836	0.9
148.05121	2.6
151.03865	2.8
151.07570	6.2
152.08270	3.8
160.93279	1.0
165.01712	1.0
180.04131	3.0
180.07849	1.0
197.11642	1.8
209.15401	8.3
234.17450	1.0
243.77008	1.1
247.20358	1.1
252.09906	1.1
265.21719	100.0
266.22134	7.8
291.19598	5.6
309.15329	4.4
309.16940	11.0
309.20593	55.5
310.21039	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	311.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71243	0.9
51.01402	0.7
59.01256	6.9
68.44748	0.8
69.50415	5.4
69.50829	1.4
70.66247	0.8
71.01266	2.6
73.02834	0.8
85.02836	1.2
85.76070	1.0
89.02322	3.0
93.03348	1.3
94.17691	0.8
97.02830	1.3
99.00754	1.5
100.12346	0.9
101.02338	2.3
108.02080	1.4
109.02851	2.2
111.00779	2.0
119.03382	1.6
123.00773	1.7
123.04447	1.1
124.01551	6.2
125.02358	7.4
133.06522	2.0
137.02364	4.4
138.03133	60.0
149.02339	7.0
149.06030	1.4
150.03175	4.9
151.03874	3.0
151.07602	5.0
152.01044	2.0
153.01820	1.1
159.04446	1.0
161.05971	1.9
163.03938	1.2
164.01028	1.2
164.04735	4.3
169.01335	0.8
177.05508	3.7
177.31047	0.8
179.07066	100.0
180.07430	3.5
203.03481	1.9
205.05009	25.5
206.05380	1.8
223.06073	22.7
224.06438	1.3
249.04086	5.4
267.05115	26.6
268.05423	1.9
293.03021	3.6
311.04184	8.2
311.09845	3.6
311.12985	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01734	1.4
57.03308	2.3
58.00464	2.6
59.01253	68.2
69.03320	5.1
70.69820	1.4
71.01255	52.5
71.27410	1.7
71.27731	1.5
72.99191	9.4
73.02821	9.4
75.00768	2.9
81.03341	1.4
83.01263	5.9
85.02831	13.4
85.92709	1.1
87.00754	34.9
89.02320	58.5
95.01235	3.0
97.02808	2.3
99.00735	3.9
99.04366	1.3
101.01700	2.4
101.02332	35.0
103.00224	4.1
109.02803	2.7
111.00698	1.3
111.04387	2.7
112.98666	1.7
113.02337	18.0
115.00253	14.6
117.01813	2.7
119.03395	21.1
125.02290	2.4
127.00278	2.5
127.03841	2.7
129.01825	2.9
130.99731	3.5
131.03394	4.9
133.01337	21.6
139.03880	2.4
141.01857	1.7
143.03436	1.8
149.04457	2.5
157.04915	1.5
161.04390	3.6
179.05511	3.5
179.07030	2.5
203.01805	2.0
221.24049	1.5
275.03992	2.2
293.05191	9.6
293.08124	1.8
311.06302	8.3
311.09799	100.0
312.10248	6.0
316.51138	1.3
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
51.35187	0.8
57.03341	0.7
59.01243	3.6
69.03336	1.2
70.68348	1.1
71.01263	0.8
74.20589	0.6
80.02527	1.3
81.03333	1.1
83.04890	0.6
92.87852	0.6
96.95876	1.0
97.02829	2.6
97.06470	1.1
98.03641	0.7
99.00753	1.4
101.05948	1.3
109.06451	0.9
111.08075	3.0
115.07552	1.1
121.26189	0.6
123.04403	3.3
123.08077	0.8
125.06004	0.7
125.09597	2.1
127.07551	0.8
128.96802	0.6
135.08081	0.8
137.09602	2.1
142.82933	0.6
149.09688	0.9
151.03925	6.0
151.07545	10.7
151.11194	1.4
152.08347	8.7
161.09567	0.9
162.10426	5.7
163.11205	4.5
165.09120	0.9
165.12752	10.1
166.09972	0.8
167.10709	2.0
171.10190	1.4
179.10703	0.9
179.14308	0.6
180.07797	0.9
181.12286	4.7
183.13850	3.3
184.07419	1.0
190.09914	2.2
193.08614	1.5
193.15886	3.5
197.11763	7.0
207.10187	4.4
208.10971	2.5
209.11877	0.7
209.15425	16.6
210.15807	0.9
211.13464	0.9
212.46422	0.6
219.17432	3.8
225.11237	1.2
226.12177	0.8
245.19130	0.6
247.16895	1.4
247.20691	10.3
248.21039	0.8
252.10001	3.1
265.18118	3.0
265.21664	0.7
273.18665	2.5
281.17538	2.1
291.19653	100.0
292.19995	8.2
309.17047	25.0
309.20691	39.1
309.24207	1.7
310.17383	2.4
310.21008	3.4
310.24136	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.2
59.01254	2.3
59.17009	0.5
71.01254	0.8
73.02802	0.5
84.10567	0.5
95.04881	0.5
98.19768	1.1
107.08466	0.5
109.06481	0.7
111.08057	3.1
120.82030	0.4
123.08061	0.7
125.09615	1.3
126.20700	0.6
127.07484	0.6
127.11182	2.0
127.36366	0.5
129.09142	0.6
137.05899	0.5
141.68661	0.4
149.09596	0.7
151.03838	0.7
151.07567	1.2
151.11182	1.8
152.08348	1.2
153.09087	0.9
153.12752	4.8
155.10681	2.2
165.12732	1.1
167.10651	2.0
169.12302	1.1
179.10693	0.6
179.14302	1.6
181.12257	3.9
186.06097	0.5
193.15886	1.1
197.11780	2.8
199.13358	2.2
203.14320	0.5
207.13928	3.1
209.11806	0.5
209.15402	2.9
215.12834	2.7
218.96558	0.5
226.12114	0.8
227.12848	2.0
228.13652	1.4
230.48804	0.6
247.20634	5.1
248.20981	0.8
263.20316	1.2
265.21732	1.8
269.26956	0.5
273.18661	3.9
281.21188	1.6
287.69659	0.5
291.19672	46.3
292.20071	3.4
309.20700	100.0
310.21094	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81247	0.9
56.30135	1.0
57.03324	1.3
58.00470	1.5
59.01249	1.8
59.15581	0.8
61.05574	0.9
70.04466	5.2
71.01260	1.1
97.06480	1.3
109.06454	1.4
111.08039	27.9
112.08406	1.4
121.57636	1.0
127.07535	1.8
138.34161	0.9
151.03905	1.4
151.07539	3.2
151.11145	2.0
152.08345	2.0
153.12755	2.2
169.12234	5.9
172.95314	0.9
181.12262	2.8
183.13829	1.5
197.11763	100.0
198.12132	3.5
199.13396	4.8
209.15390	3.7
211.13348	10.7
227.12828	1.9
247.20760	1.5
263.20169	6.5
265.17929	2.8
273.18607	2.3
291.19659	18.5
292.20108	1.5
302.49539	1.2
309.17148	5.8
309.20648	31.2
310.20911	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22374	1.1
59.01273	1.8
62.37281	1.1
71.05673	1.7
71.06018	1.9
79.94009	1.1
111.08040	35.4
115.76614	1.2
122.93181	1.2
127.07537	1.9
150.99091	1.3
151.03825	1.9
151.07570	2.5
152.08287	2.2
153.12787	2.8
162.06633	1.1
169.12242	7.8
179.75403	1.2
181.12289	2.4
197.11769	100.0
198.12114	4.2
199.13321	3.9
209.15413	4.8
211.13335	10.0
227.12828	2.5
263.20087	3.1
265.18015	3.0
291.19687	17.3
292.19916	1.6
299.50455	1.4
309.17111	6.3
309.20700	27.6
310.20966	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	309.2071
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
51.95633	0.6
57.03309	1.0
59.01230	1.1
63.55020	0.6
69.48347	5.8
71.01237	0.8
82.37692	0.6
82.55171	0.6
83.26256	0.7
95.94720	0.6
97.06451	2.0
109.06396	0.7
111.08067	0.6
113.09609	3.3
115.07522	1.9
125.05969	1.1
126.06709	0.8
128.50256	0.7
141.09082	1.6
147.69212	0.8
163.11223	0.8
165.12738	4.5
167.10651	1.2
167.14336	2.0
175.11243	0.9
179.35155	0.8
181.12279	4.5
183.13832	1.4
193.12228	2.3
193.15871	0.9
195.13826	2.2
209.15472	1.0
211.13390	4.7
213.14923	1.2
221.15419	2.9
229.14365	1.3
240.13669	2.3
247.20717	4.9
263.20142	0.9
265.21716	1.1
273.18625	3.9
281.21109	2.4
291.19659	52.0
292.20013	4.6
309.20697	100.0
310.20990	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92147	0.5
55.01738	0.5
55.32600	0.5
57.03318	2.1
59.01243	1.6
66.89971	0.5
69.03320	1.6
70.30756	1.1
70.31150	1.1
71.01271	0.6
71.04887	0.8
79.65347	0.5
80.02552	0.8
81.03327	0.9
83.04877	0.6
95.01244	1.1
95.04880	0.9
96.95874	1.0
97.02808	1.7
97.06453	1.1
98.03576	0.7
99.00760	1.4
109.06457	0.6
111.00772	1.0
111.08028	2.1
123.08046	0.7
125.05967	0.8
125.09600	2.2
127.07513	0.8
129.07889	0.5
135.08090	0.7
137.09625	0.8
139.11064	0.5
141.12738	1.3
151.03906	4.4
151.07558	9.5
152.08337	7.1
153.12787	1.1
162.10449	0.6
163.11224	5.0
165.09146	1.3
165.12769	7.8
166.09836	1.0
167.14275	0.8
175.07515	0.6
179.14317	3.2
181.12283	4.3
183.13808	0.6
184.07330	1.2
185.11728	0.8
190.09976	0.9
193.08624	1.1
193.15915	2.3
197.11766	7.2
207.10152	1.3
208.11029	0.9
209.11938	2.4
209.15408	13.4
210.15805	1.5
211.13318	0.8
219.17686	0.6
223.13283	3.1
233.94757	0.5
244.77869	0.6
247.16957	0.8
247.20688	8.4
248.21010	0.9
252.10095	2.8
265.18140	2.6
265.21387	0.5
273.18655	2.8
291.19662	100.0
292.20026	10.5
305.26154	0.6
309.17090	19.0
309.20715	81.1
310.17392	2.1
310.21078	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1192
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
50.09732	2.0
50.10959	1.8
50.74074	2.1
58.00469	6.1
59.01254	100.0
70.44444	8.1
71.01254	54.3
72.99165	10.2
83.01259	5.0
85.02834	10.8
87.00742	2.9
89.02323	56.8
90.02649	3.2
95.01228	3.5
101.02323	48.0
113.02338	20.3
119.03384	24.7
129.05470	25.1
147.06573	11.6
221.04492	2.2
253.96213	2.0
291.19696	2.8
309.11932	96.9
310.12152	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	307.228
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
51.76702	0.6
53.01197	0.6
64.22368	0.6
67.24126	0.6
71.67236	0.6
80.36829	0.6
96.95892	2.1
98.19785	1.4
151.81091	0.6
185.84659	0.6
210.61362	0.7
307.22800	100.0
308.23059	8.9
319.35101	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1191
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01755	7.2
57.03335	5.5
58.00481	3.1
59.01252	100.0
69.03342	8.6
69.40193	2.0
70.45096	5.4
70.45493	5.1
71.01258	68.8
72.99191	6.8
73.02821	18.5
75.00751	3.2
83.01260	8.5
83.04914	3.8
85.02818	29.9
86.40498	2.3
87.00758	25.6
89.02317	43.6
89.02842	3.7
95.01270	5.9
99.00742	6.4
99.04424	9.7
101.02328	41.1
101.05978	6.2
106.39857	2.3
111.04398	5.6
113.02343	23.7
119.03381	16.2
120.58257	2.3
123.76421	2.4
129.01823	3.8
129.05473	7.5
143.03444	2.9
147.06543	60.0
149.06003	3.5
159.02901	5.3
161.04463	10.4
179.05563	3.2
203.03479	2.4
218.93213	2.6
219.08635	3.8
221.04520	9.1
247.02354	3.1
265.03534	3.4
267.06772	2.2
309.08478	5.6
309.11880	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.97950	1.3
52.02070	1.4
57.03315	1.8
57.31415	1.3
59.01259	8.1
59.01489	1.7
69.03316	2.0
69.99339	7.6
71.01255	2.0
73.65919	1.5
83.04872	2.1
85.02845	1.4
85.20979	1.9
93.03344	1.4
95.04900	1.7
98.03609	1.7
98.19691	1.6
106.04169	1.4
109.06454	4.8
109.51607	1.3
109.64320	1.4
111.08060	1.8
123.04396	1.6
123.08035	2.2
125.09605	4.8
127.07542	4.5
127.11139	2.0
131.63516	1.6
137.02295	2.3
137.06047	1.5
137.09601	4.7
149.09669	3.2
151.11186	6.0
153.09113	2.9
153.55305	1.4
155.10674	10.0
161.66364	1.6
163.11172	5.4
167.10675	4.5
167.48685	1.6
169.12187	2.0
177.12717	3.1
179.10632	2.2
181.12262	2.4
181.73090	1.5
185.11702	3.0
191.14351	12.0
197.11711	3.7
202.55237	1.5
205.12222	3.6
207.10173	2.6
209.11739	4.7
217.15933	1.8
224.10484	1.7
225.11253	2.7
235.20816	1.9
239.09128	4.0
245.19061	35.1
263.20139	9.2
271.17014	3.6
279.19644	4.0
289.18079	69.9
290.18359	3.4
307.19135	100.0
308.19382	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92527	2.4
59.01249	6.1
60.03635	3.1
64.71159	2.5
69.03314	2.7
81.03338	5.2
96.95903	4.9
97.02789	5.9
123.04417	8.3
125.09592	9.6
137.09602	5.5
141.12744	3.1
161.09596	3.7
163.11180	9.0
185.11749	14.3
191.14377	15.2
207.10245	9.7
225.11310	5.7
245.19141	43.5
246.19411	4.1
263.20337	3.1
289.18079	100.0
290.18405	10.4
307.19153	59.8
308.19427	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	4.2
59.01242	6.7
59.39578	1.5
64.09684	1.3
69.51718	6.3
69.52140	4.8
71.01249	2.7
72.15017	1.5
80.02557	1.4
81.03336	1.9
83.04890	2.7
96.95870	2.4
97.02861	1.9
97.06450	2.8
111.08060	1.6
113.06153	1.4
121.02921	1.9
121.06506	1.6
123.04424	5.2
123.08064	1.5
124.12403	1.4
124.20625	1.9
125.09650	4.9
133.02731	1.5
137.09612	13.5
141.12779	3.6
142.78609	1.9
151.11223	2.7
161.04454	1.9
163.07542	2.4
163.11171	3.6
165.12782	2.7
165.85664	1.4
171.10155	1.5
179.10719	2.5
181.12241	2.6
185.11755	26.0
191.14326	8.9
209.11740	5.4
216.97850	1.7
230.36385	1.4
245.19049	21.5
246.19339	2.2
263.20148	8.3
271.16837	2.2
289.18100	51.8
290.18387	3.3
307.19199	100.0
307.22797	13.6
308.19409	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	307.1915
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
57.03255	3.5
59.01180	4.6
69.03261	1.2
70.62788	1.7
71.01210	1.0
71.04854	0.6
80.02463	1.5
81.03326	5.4
83.04834	1.1
85.02741	0.5
93.03265	1.4
95.04907	3.0
95.24162	0.6
96.95850	1.1
97.02828	4.4
97.06407	2.4
106.04036	2.0
107.04851	1.2
109.06483	2.7
110.03529	1.1
111.07967	0.6
119.08435	0.5
121.06409	2.0
123.04411	7.9
123.07956	1.9
125.05930	0.8
125.09621	9.4
127.07477	0.7
135.08002	2.3
136.05110	0.7
137.05879	0.9
137.09613	7.5
141.12663	2.4
142.02536	1.6
143.98705	0.5
149.05984	2.6
151.11110	0.7
159.00444	0.5
160.08775	1.0
161.09633	0.6
163.07481	1.5
163.09833	0.7
163.11188	11.4
164.08315	0.9
165.01735	0.6
165.09102	0.7
165.12680	1.8
171.10057	1.7
173.09644	0.7
175.11119	0.6
177.12650	1.0
179.10635	1.3
181.12181	2.4
185.11765	17.3
185.13414	1.0
186.12007	1.0
187.69316	0.6
191.12775	0.9
191.14349	16.3
192.14633	1.1
195.13885	0.9
203.14227	0.7
207.10219	8.4
209.11646	0.7
215.14224	0.7
217.15845	1.8
219.13844	0.7
225.11255	8.7
227.18016	0.9
229.09322	0.5
235.16968	0.6
243.17513	0.7
245.19081	36.0
246.19373	2.5
263.16589	0.6
263.20123	0.7
265.18008	1.3
271.17111	3.5
287.16617	1.0
289.18094	100.0
290.18439	7.8
307.19159	41.9
308.19440	2.8
317.43695	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	5.6
59.01259	9.2
61.71683	1.5
68.98605	1.3
69.03347	2.2
70.85832	4.4
71.01257	2.0
79.95607	2.7
80.02549	2.8
81.03323	6.5
83.01261	6.0
83.04891	2.8
93.03326	1.6
95.01257	1.7
95.04910	4.9
96.95904	3.8
97.02833	5.9
97.06466	9.0
109.06490	2.7
111.08123	1.5
118.51524	1.3
121.02843	1.6
121.06468	3.8
123.04411	10.3
123.08028	4.6
125.09620	16.5
135.04407	1.7
135.08095	2.3
137.06030	2.6
137.09616	13.2
141.12779	5.3
142.02647	2.3
149.06029	3.1
149.09621	1.5
151.11209	2.1
161.04333	1.3
163.07565	1.9
163.11200	13.2
165.09155	1.6
165.12810	3.4
167.10698	1.5
171.10185	1.9
174.10413	2.2
177.12761	2.8
179.10616	2.7
181.12311	5.1
185.11736	25.8
186.12148	1.6
191.10719	2.8
191.14337	22.9
192.14616	1.5
203.14438	1.5
207.10172	8.6
209.11771	28.2
211.13406	2.0
225.11275	8.3
227.18095	1.8
233.15460	1.5
245.19066	42.4
246.19473	5.1
261.18643	1.5
263.20178	5.7
271.17102	3.4
272.17239	1.3
276.16376	1.5
289.18103	100.0
290.18503	7.1
307.19202	61.6
307.22733	7.3
308.19409	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28029	2.3
57.03322	7.9
59.01247	11.1
71.01257	10.6
80.02541	2.9
83.04901	5.5
85.02821	3.3
95.04903	4.4
97.06455	14.2
98.19742	4.3
109.06512	6.9
111.08057	8.7
121.02857	4.5
123.04426	4.0
125.09618	5.0
137.06094	2.2
137.09601	5.8
149.09636	2.5
151.11218	15.4
153.09142	4.9
153.12830	4.7
155.10709	15.0
159.79137	2.4
160.08806	2.2
163.11238	6.9
165.12787	18.9
167.10725	5.5
169.12286	4.5
177.12781	2.7
179.10687	6.2
181.12250	16.4
191.10783	8.5
191.14409	10.1
196.06898	2.3
197.11865	2.6
205.12326	5.9
209.11775	35.2
211.13420	7.3
224.10294	2.4
235.20866	2.6
239.09271	4.5
244.40170	2.9
245.19078	43.2
245.21590	2.7
246.19669	2.8
263.20297	9.3
264.36844	2.5
271.17020	3.3
278.30716	3.1
289.18091	54.9
290.18610	7.1
307.19232	100.0
307.22781	14.4
308.19571	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	307.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
65.26764	0.4
69.42160	0.3
71.01221	0.5
74.98946	4.8
89.02303	0.4
89.64096	0.4
91.02081	2.5
93.00013	3.6
96.95807	0.5
98.19849	1.2
149.00833	3.3
159.08372	6.7
161.06288	1.7
173.16884	0.4
189.61975	0.3
192.98053	0.6
206.99626	1.4
209.01158	2.6
212.22076	0.4
217.07089	0.9
223.02785	49.9
224.02844	4.6
225.00723	0.6
241.03873	2.0
245.19038	0.4
245.61078	0.4
259.96552	0.4
289.07593	1.5
289.18195	0.5
291.09088	100.0
292.09225	10.8
307.12122	1.8
307.15695	0.5
307.19214	1.5
309.10092	2.6
310.10303	0.5
320.45697	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30574	0.4
59.01266	0.4
74.98946	4.6
82.98577	0.3
91.02097	2.9
93.00008	5.5
96.95869	0.5
98.20663	0.7
101.02366	0.4
101.34310	0.3
137.62695	0.4
147.00758	0.5
149.00877	4.0
159.08371	6.2
160.31747	0.4
161.06337	2.3
192.98138	0.7
195.60741	0.4
206.99629	1.6
209.01212	2.8
217.07108	0.9
223.02789	52.3
224.02843	4.6
225.00723	0.5
229.67542	0.5
241.03828	1.4
275.06003	0.6
289.07477	2.1
289.18015	0.4
291.09094	100.0
292.09244	10.7
307.12109	1.3
307.19388	0.9
307.22525	0.9
307.25723	0.4
309.10156	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	307.1401
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01762	1.5
57.03316	1.2
58.00471	2.5
59.01252	44.4
71.01255	32.6
71.57140	0.8
72.99188	3.8
73.02808	2.8
78.34051	0.6
83.01260	3.3
85.02821	8.8
85.06481	1.7
87.00751	1.8
89.02321	26.7
95.01281	2.4
96.95882	0.5
97.02819	0.8
99.00791	1.0
99.08036	24.4
101.02325	23.3
101.03006	0.9
111.00772	0.7
113.02332	12.2
113.03071	1.1
119.03391	9.9
125.02346	0.6
127.02084	0.5
127.07536	4.3
129.09125	2.2
131.03473	0.6
141.09119	1.7
143.03397	0.9
145.08609	79.4
146.08960	2.2
149.04427	0.8
159.02959	0.8
161.04480	2.6
179.05505	1.2
186.95682	0.6
187.09686	2.0
191.03458	0.8
219.03017	1.5
263.01938	1.2
307.13992	100.0
308.14349	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05413	1.5
57.02868	1.4
59.01250	5.4
61.03866	1.4
69.03339	2.2
71.01249	2.6
86.80476	1.4
98.19789	5.0
99.08009	3.7
100.58884	1.3
101.02256	1.6
109.06464	2.2
121.10163	1.6
127.07527	6.9
139.07533	14.1
153.51532	1.6
157.08611	100.0
158.09015	4.0
159.10181	5.3
167.10687	39.5
168.10976	2.3
229.27266	2.0
272.46262	1.6
288.47565	1.6
307.10452	1.6
307.19498	2.2
307.22855	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	307.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.0
64.62240	2.8
67.05233	2.6
67.48086	2.5
70.85862	3.8
70.86184	6.9
71.01245	7.9
72.99185	27.3
75.00749	5.2
81.03328	25.8
85.02830	8.2
99.00761	17.8
101.05939	10.0
113.02340	7.0
125.02335	70.2
128.98090	3.2
143.03398	12.7
161.04504	7.0
205.03471	100.0
206.03767	3.1
212.60570	2.6
263.01849	3.3
265.41534	2.7
307.04581	5.0
307.10257	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	7.7
63.21754	3.2
65.45805	3.6
69.03343	6.4
71.01261	18.0
71.56577	4.9
72.99176	40.9
75.00759	11.8
76.67812	3.5
78.66051	3.7
78.95780	7.7
81.03315	33.4
81.84705	3.9
85.02845	9.3
87.00764	6.3
96.96842	12.6
97.02807	4.5
99.00761	25.3
101.02322	4.2
101.05951	14.4
113.02344	12.7
117.01788	4.2
125.01445	6.8
125.02340	90.1
126.02645	4.1
143.03391	14.4
161.04434	7.9
169.01285	4.8
189.16783	3.8
191.03453	5.9
201.05508	17.5
205.03464	100.0
219.02963	7.3
245.04204	4.1
263.02032	8.6
307.04581	13.6
307.10287	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	307.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.8
69.60407	6.9
69.60829	4.9
71.01270	2.2
93.03307	2.7
96.52396	1.6
106.20441	1.6
109.02770	1.8
111.00752	1.8
119.79637	1.6
124.01534	3.0
125.02335	11.6
129.06978	3.7
135.04430	2.0
145.06482	3.6
147.04416	3.0
155.04877	2.4
157.06519	11.6
159.04440	3.5
161.02403	1.9
171.04401	2.5
173.02359	2.2
173.06023	8.3
175.03926	4.3
179.13623	1.6
181.40195	1.7
183.04420	3.0
189.01825	3.0
189.05568	2.3
190.02640	6.0
191.03349	4.7
201.05504	21.8
203.03406	13.3
205.03506	1.8
217.01381	3.3
217.04974	4.3
219.02975	5.5
245.00763	2.7
263.01898	5.2
263.05652	18.7
290.00238	1.9
307.04596	100.0
307.26697	1.9
308.04800	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	307.046
Annotation	Fulvic acid
Peak:m/z	Relative Intensity
59.01236	0.6
64.99689	0.3
65.51165	0.4
67.75721	0.3
69.03339	0.4
71.01250	1.2
81.03326	0.8
93.03329	1.4
95.01254	0.8
95.04911	0.5
98.19790	1.2
101.03849	0.8
107.04892	0.6
109.02844	1.4
114.50386	0.3
115.05398	0.5
117.07016	0.8
118.29003	0.3
119.04912	1.5
121.02859	0.5
121.06509	0.4
123.00771	1.5
124.01527	1.0
125.02334	7.0
127.05421	1.0
129.03317	0.5
129.06973	2.9
130.04156	0.8
131.04904	0.9
133.06447	0.4
135.04395	0.7
137.02335	0.8
143.04953	0.9
145.02876	0.7
145.06505	3.1
147.04410	2.4
155.04910	2.0
156.05699	1.4
157.06493	12.7
158.03700	0.8
158.06790	0.6
159.04376	2.4
161.05969	0.7
163.03917	0.7
163.07497	0.5
164.01070	0.8
171.04404	1.5
173.04579	0.6
173.05995	6.4
174.03139	1.2
175.03934	3.0
177.01898	1.1
177.05463	0.5
183.04453	1.3
184.05179	0.4
185.02319	1.3
187.03943	0.9
189.01797	0.5
189.05569	0.6
190.02654	4.9
191.03386	1.6
196.95010	0.4
199.03922	0.7
200.04631	0.9
201.01813	0.8
201.05515	16.9
202.05859	1.1
203.03429	8.5
204.04042	0.6
205.05067	0.7
217.04970	2.4
219.02916	3.6
219.06570	0.4
235.06084	1.0
245.01027	0.5
245.04549	1.1
263.05591	21.7
264.05908	1.5
278.92627	0.5
307.04584	100.0
308.04965	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	2.1
60.37912	0.8
65.00197	1.8
67.01769	1.0
69.68468	1.5
69.68885	5.0
71.01247	2.1
77.03807	1.3
77.70066	0.7
91.05414	6.7
91.68591	0.9
93.03329	2.6
96.95874	3.1
101.02319	0.9
101.03858	2.0
103.05412	1.8
105.37985	0.9
107.04888	3.2
108.02043	1.5
117.03323	4.3
119.04914	14.1
121.02824	1.5
129.03297	1.0
130.04091	1.2
132.02045	5.2
133.02888	1.4
135.04411	6.8
142.26410	0.8
145.02850	16.2
146.03598	2.4
147.04430	17.3
147.37698	0.8
148.01575	2.4
149.02324	1.7
157.02852	1.9
160.01588	1.9
161.02321	2.1
162.03278	0.9
163.03920	9.8
164.04131	0.9
169.01427	0.8
173.02362	13.3
174.03114	5.1
175.03928	40.0
176.01042	4.9
176.04301	1.7
177.01779	1.2
181.30380	0.7
189.01854	2.2
190.02650	9.4
191.03427	45.7
192.03709	1.6
201.01889	3.2
204.00560	2.6
204.28586	0.8
219.02943	100.0
220.03325	4.6
245.00891	3.3
263.01953	33.6
264.02274	1.8
289.00000	1.6
307.00961	53.0
307.08356	2.2
308.01355	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	305.1759
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
57.03314	3.7
58.98323	0.9
59.01241	5.4
69.03339	1.5
69.04644	0.9
69.10510	0.9
71.01247	1.1
71.04890	6.3
76.45213	0.9
80.02547	1.0
81.03326	1.9
89.00203	1.2
93.03325	2.8
95.04896	3.9
97.02850	1.6
97.06476	3.9
98.19755	2.1
108.02048	1.2
109.06478	4.4
117.07001	3.1
119.04937	2.5
120.05708	7.3
121.06483	2.1
123.04397	6.0
123.08017	3.8
125.09608	16.6
133.06451	1.3
135.08058	50.1
136.08414	1.0
137.09592	2.4
141.12752	2.4
147.04420	4.0
147.07950	1.0
158.07298	1.0
160.08733	1.3
160.98683	2.0
161.02351	1.5
161.05972	3.1
161.07269	0.9
161.09625	3.3
162.06659	1.2
165.09131	1.7
175.07588	7.6
179.55745	1.0
185.11755	44.8
186.12122	2.1
189.12782	7.4
223.13264	1.7
229.54802	1.0
232.97223	3.0
243.17511	22.6
244.17824	2.1
245.15417	1.1
249.14845	1.7
261.18588	6.9
263.16425	1.4
266.57648	1.0
269.15436	4.4
287.16516	69.1
288.16788	6.1
305.17593	100.0
306.17969	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	305.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	56.6
65.77984	26.2
71.43707	50.6
89.00207	63.9
121.53734	22.7
155.07092	30.5
157.08604	100.0
160.98701	70.7
167.10696	41.1
204.68277	23.3
226.07787	23.1
232.97240	81.8
305.17590	45.2
305.21234	53.2
305.24564	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1757
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
50.52898	36.5
56.04948	33.1
70.86391	43.8
70.86718	100.0
81.02316	44.1
96.29172	38.9
154.84790	35.8
167.10692	74.9
176.88402	41.8
323.35925	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1759
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
57.03323	8.5
58.60656	0.9
59.01246	5.2
59.02220	1.1
63.09550	1.1
69.03329	1.2
81.03358	1.3
89.00208	2.6
92.45216	1.1
93.03332	2.4
95.04899	4.1
97.02809	1.6
97.06445	6.4
106.04111	1.4
107.04895	2.1
108.68958	1.1
109.06465	2.7
117.07000	3.4
119.04913	4.5
120.05695	11.9
120.58984	1.0
121.06460	1.1
123.04433	8.0
123.08045	4.5
125.05956	1.0
125.09610	21.2
133.06479	1.7
135.08057	72.4
135.64307	1.0
136.08397	4.2
137.09602	2.5
139.11203	2.2
141.01672	1.1
141.12749	3.4
147.04446	4.1
149.09624	1.4
151.11263	1.0
155.09834	1.0
160.08838	2.5
160.98669	3.4
161.05981	2.9
161.09621	3.8
169.14149	2.0
173.09683	1.8
175.07593	8.5
177.09140	1.1
179.10722	1.5
185.11755	65.4
186.10535	1.4
186.12077	3.6
189.12721	7.1
205.15822	1.1
207.10172	1.3
211.13391	1.9
215.14461	1.5
229.49786	1.3
232.97269	3.3
243.17500	33.9
244.17847	2.8
245.15295	1.3
261.00455	1.6
261.18506	5.0
263.16333	1.3
269.15482	5.1
270.16025	1.2
287.16522	79.8
288.16864	7.2
305.08258	2.3
305.17584	100.0
305.20605	3.5
306.17850	9.8
327.80792	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	5.7
59.44031	1.8
59.59365	1.9
63.38377	1.7
69.40087	11.6
69.40507	6.7
71.01250	3.3
81.94744	1.8
113.15426	2.0
121.10125	31.8
127.07563	9.5
139.07530	12.2
157.08606	100.0
158.08963	4.2
160.98735	3.2
165.09138	41.1
197.59276	2.1
232.97122	3.4
245.19075	3.2
305.21170	7.2
305.24911	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	304.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19351	0.4
58.02850	52.9
58.90600	0.4
70.31805	1.3
100.47222	0.5
129.74274	0.6
168.13855	100.0
169.14218	4.0
212.12842	4.1
262.03629	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0302
Annotation	Methyl brevifolincarboxylate
Peak:m/z	Relative Intensity
52.11150	0.7
54.54682	0.8
69.25742	8.5
72.37023	0.7
74.47327	0.8
89.03831	0.9
97.96272	0.7
98.19830	1.7
101.08986	0.8
107.04956	0.9
109.20272	0.7
117.03345	2.9
121.02856	1.5
133.02824	4.7
145.02856	7.9
153.65533	0.9
161.02356	13.2
163.03920	2.5
170.38467	0.7
173.02353	7.3
175.00183	0.9
189.01851	18.2
201.01886	6.8
203.42569	0.9
217.01376	54.5
218.01733	2.6
229.01430	4.9
245.00879	40.1
246.01234	3.1
263.01999	1.0
273.00400	100.0
274.00708	6.5
305.03012	43.0
306.03204	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	305.0304
Annotation	Methyl brevifolincarboxylate
Peak:m/z	Relative Intensity
61.88810	2.9
62.12221	2.8
70.91820	7.4
71.01256	5.2
74.39670	2.9
86.88442	2.8
87.06224	2.9
99.25700	3.2
101.61945	2.9
108.59301	3.0
109.19735	2.9
110.00452	3.1
117.03339	4.4
118.12798	3.3
129.68652	3.2
133.02853	7.9
145.02812	9.9
148.69092	4.2
149.02322	5.3
161.02411	16.2
165.05504	3.7
166.02654	5.3
173.02374	9.1
177.01831	6.4
189.01843	24.3
190.02628	19.4
193.01343	4.9
193.04980	5.2
201.01906	7.5
203.03448	9.6
205.01341	7.3
205.04941	3.2
217.01387	25.4
218.02104	28.3
221.04442	3.8
229.01376	9.7
231.02919	9.8
233.00952	3.6
245.00932	17.8
246.01578	11.2
249.04042	43.9
261.04019	4.5
273.00400	27.7
277.03537	89.4
278.03766	4.8
305.03024	100.0
306.03354	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	301.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79581	0.3
59.97933	0.3
60.97374	1.0
71.06440	0.8
74.98962	0.5
82.48550	0.3
92.99986	0.4
112.88522	0.3
118.96169	0.7
123.92252	0.3
123.95374	0.3
134.99304	7.4
136.52074	0.3
136.97223	3.1
141.07367	0.4
150.98802	0.6
152.96658	0.3
159.08371	1.6
161.06317	7.6
185.02498	0.4
201.03914	0.8
203.05594	3.8
205.03505	1.2
215.05600	1.4
217.07167	95.8
218.07281	7.8
235.08125	0.8
261.06229	0.6
262.48996	0.3
279.58765	0.3
283.11935	0.8
285.13480	40.6
286.13632	3.3
300.99924	5.3
301.16611	100.0
302.00192	0.4
302.16812	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	303.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
71.45040	37.0
71.45378	47.3
77.37846	27.3
121.10118	100.0
155.06961	32.8
165.09146	85.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86059	7.7
68.42815	8.9
71.20451	12.2
71.20792	8.2
81.17651	9.5
96.05701	8.3
106.14816	10.3
121.10149	66.4
137.05859	8.9
164.18617	8.9
165.09129	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	301.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	98.2
59.62724	1.6
63.77508	1.6
71.05260	1.7
71.05583	3.7
78.95779	5.5
96.96857	2.4
115.02393	5.4
117.00323	16.0
144.72562	2.0
148.52306	1.6
159.01404	100.0
160.01534	6.0
171.04202	1.8
201.02470	23.5
202.02676	2.7
259.01559	2.8
301.02679	38.2
302.02866	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	301.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20461	0.4
58.68883	0.5
63.02265	10.5
64.02596	0.4
65.00195	17.6
68.03363	0.4
82.08385	0.5
83.01257	11.4
83.01765	0.7
83.70530	0.4
84.42376	0.4
85.12827	0.4
93.03328	4.8
95.01240	0.5
107.01264	26.6
109.02843	2.9
117.03345	0.6
121.02839	22.6
122.03150	0.8
123.00813	0.4
124.01578	0.4
125.02345	1.3
129.03333	0.7
133.02882	0.5
137.26587	0.4
139.03900	1.8
145.02858	2.0
147.00677	0.5
147.04419	0.8
149.02327	4.0
151.00270	78.2
152.00604	2.4
157.02824	0.6
159.04404	1.0
161.02368	1.9
162.02859	0.4
163.00264	2.1
163.03897	1.9
164.01041	1.5
165.01859	0.7
169.01332	5.9
169.02644	0.8
171.00639	0.5
173.02348	1.8
173.06084	0.4
175.03934	0.9
178.99776	27.5
180.00128	1.0
183.04414	1.0
185.02374	2.1
187.03979	1.3
189.01877	0.8
189.05501	0.5
191.03368	0.5
193.01320	1.7
193.70755	0.4
195.99959	0.4
199.03897	0.5
201.01820	2.0
201.05496	0.9
203.03424	0.9
205.05025	0.7
211.03902	1.1
211.54784	0.4
213.01894	0.5
221.27931	0.5
227.03479	1.3
229.01471	2.2
229.05014	2.3
230.02000	0.5
243.02957	0.9
245.00941	1.5
245.04466	2.2
255.02910	1.4
256.03641	0.5
257.00940	0.8
257.04379	1.2
273.04095	4.0
283.99689	2.5
284.02560	0.4
299.01895	0.6
299.99268	2.3
300.02274	0.6
300.99908	46.1
301.03534	100.0
302.00238	3.0
302.03860	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82438	0.3
52.84661	0.3
62.05863	0.3
65.00193	0.9
69.59593	0.7
69.60011	2.0
75.57823	0.3
78.17644	0.3
83.01240	0.5
93.03337	0.8
107.01317	0.7
117.03344	1.7
129.03336	1.1
133.02875	0.5
135.48917	0.5
144.78503	0.3
145.02853	3.9
147.04413	0.9
151.00285	2.3
157.02841	2.2
161.02351	1.1
163.00267	0.4
163.03894	1.5
169.01343	0.6
173.02379	3.8
178.99730	0.9
184.01598	0.5
185.02374	5.2
185.50031	0.4
189.01854	0.8
199.00394	0.6
200.01123	1.2
201.01843	3.7
212.00996	0.4
213.01863	0.7
216.00565	0.9
217.01364	1.2
222.68645	0.3
226.99823	1.7
228.00551	1.2
229.01373	5.9
244.00040	0.9
245.00917	2.8
245.04483	0.5
252.74693	0.4
254.99402	0.7
257.00949	2.3
269.14508	0.4
273.00369	0.4
273.04065	0.5
283.99631	6.5
299.99109	5.7
300.99902	100.0
302.00235	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	300.9988
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
57.63096	0.2
59.22321	0.2
65.60224	0.2
68.40832	0.2
69.65343	1.3
86.04954	0.2
117.03362	0.9
118.65438	0.2
119.04895	0.4
129.03346	0.7
132.25818	0.2
133.02838	0.3
145.02861	2.6
147.04393	0.4
157.02847	0.9
161.02328	0.6
163.03893	0.7
169.69373	0.2
173.02357	2.7
185.02376	3.7
186.02664	0.2
189.01866	0.7
191.03500	0.3
199.00308	0.4
200.01074	0.8
201.01848	3.7
213.01840	0.6
216.00513	0.5
217.01317	0.9
226.99805	1.3
228.00490	0.8
228.99159	0.4
229.01369	5.5
243.05042	0.2
244.00073	0.5
245.00888	2.5
254.99290	0.3
257.00906	3.1
273.00345	0.4
282.99063	0.3
283.99634	5.0
284.99841	0.3
299.99103	4.7
300.99881	100.0
302.00204	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	300.9992
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02263	0.5
64.41095	0.2
64.62482	0.2
65.00191	0.7
69.52435	1.9
83.01266	0.5
93.03350	0.3
107.01280	0.9
109.02820	1.0
117.03361	1.0
119.04909	0.4
121.02837	0.9
129.03365	1.4
133.02864	0.4
145.02869	4.0
147.04463	0.9
149.02394	0.4
151.00272	3.1
157.02901	1.6
161.02390	0.6
163.00261	0.7
163.03909	1.4
172.01535	0.5
173.02383	3.8
178.99774	1.0
184.01645	0.4
185.02382	5.5
189.01828	1.4
199.00354	0.7
200.01100	1.1
201.01883	4.1
202.02089	0.3
211.04054	0.3
213.01849	0.5
216.00681	0.4
217.01387	1.3
226.99850	1.8
227.03589	0.3
228.00592	1.1
229.01385	7.0
244.00114	0.8
245.00877	2.8
245.04555	0.5
254.99258	0.6
255.02950	0.7
256.00076	0.4
257.00906	2.9
272.02866	0.3
273.00339	0.5
282.98743	0.3
283.02432	0.3
283.99625	6.3
299.99124	5.2
300.99908	100.0
301.03250	6.0
302.00220	6.5
302.03406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.999
Annotation	Unknow
Peak:m/z	Relative Intensity
66.78307	0.3
88.08708	0.3
88.31962	0.3
98.19785	0.9
115.39191	0.2
117.03355	1.1
119.04957	0.3
129.03334	1.0
133.02834	0.6
133.86362	0.3
145.02855	3.6
147.04404	0.9
148.91010	0.2
151.00299	0.6
157.02879	1.4
161.02373	0.6
163.03905	1.0
165.42543	0.3
171.00771	0.3
172.01581	0.3
173.02353	3.2
175.73332	0.3
184.01553	0.3
185.02371	4.3
189.01884	0.9
199.00327	0.6
200.01031	0.8
201.01859	4.1
213.01945	0.5
216.00578	0.3
217.01363	1.3
226.99814	1.5
228.00583	0.9
229.01398	5.3
229.67035	0.3
230.01627	0.4
244.00247	0.5
245.00856	3.0
254.99239	0.4
257.00891	2.1
271.99734	0.3
273.00317	0.4
283.99609	4.8
299.99115	4.8
300.99884	100.0
302.00235	7.9
302.03723	0.4
324.29633	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.7
59.01249	3.0
67.47611	0.4
67.68312	0.4
70.63175	0.9
76.64332	0.5
79.89924	0.4
92.40114	0.4
98.20455	0.5
112.86005	0.4
138.05467	1.0
153.39983	0.5
174.99178	0.8
217.00201	3.3
235.20544	0.7
237.22195	70.5
238.22557	4.9
255.23274	2.1
270.98880	0.8
281.21213	31.2
282.21478	3.0
299.01996	1.5
299.22269	100.0
299.99115	0.9
300.22623	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	300.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01165	0.2
52.30002	0.2
53.69197	0.2
59.01248	0.7
68.01289	0.5
69.69131	1.4
71.01264	0.3
98.19813	0.4
101.89001	0.2
108.04434	0.2
122.02382	1.4
123.03156	8.1
124.03448	0.3
137.04727	0.5
138.05513	100.0
139.05862	2.8
145.02896	0.3
152.07031	0.4
165.04231	1.3
167.05757	0.4
180.06607	2.0
236.77252	0.2
300.10907	4.4
300.99899	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00221	0.2
53.46925	0.2
59.01239	0.7
68.01287	0.6
70.44080	0.7
80.08399	0.2
93.03323	0.3
95.04925	0.3
122.02400	0.7
123.00804	0.4
123.03152	10.5
124.07561	0.3
136.03992	0.2
137.02321	0.3
137.04675	1.1
138.05508	100.0
139.05011	0.3
139.05862	3.4
141.28566	0.2
152.07095	0.7
165.04243	0.6
167.05757	0.6
180.06577	2.0
202.77713	0.2
210.07414	0.3
241.38290	0.2
248.13152	0.2
299.99030	0.7
300.10815	3.9
300.99933	1.9
301.11255	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.9991
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
57.52240	0.2
58.37484	0.2
63.02242	0.3
65.00224	0.6
66.92711	0.3
69.46363	1.7
69.46766	0.6
83.01243	0.4
93.03348	0.3
98.20520	0.6
101.03909	0.3
107.01289	1.1
111.20395	0.2
117.03341	1.0
119.04932	0.4
121.02845	0.7
129.03358	1.1
133.02893	0.8
145.02859	3.4
147.04437	0.7
151.00272	1.9
157.02867	1.4
161.02380	0.3
163.03925	1.2
171.00810	0.3
173.02380	3.2
178.99774	0.6
184.01596	0.3
185.02365	4.7
189.01852	1.1
191.03398	0.4
199.00320	0.8
200.01102	0.6
201.01884	3.5
213.01892	0.4
216.00584	0.4
217.01357	1.2
226.99840	1.1
228.00565	0.8
229.01414	5.1
230.01779	0.4
244.00104	0.4
245.00867	2.2
254.99290	0.4
255.06540	0.3
257.00876	2.8
270.08560	0.3
273.79807	0.2
276.28384	0.3
282.98950	0.3
283.99637	5.3
284.99976	0.3
299.99161	5.1
300.99908	100.0
302.00247	7.0
302.03476	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	2.8
57.03318	3.2
58.00462	3.9
59.01254	100.0
71.01257	61.2
71.56694	4.1
72.99198	7.8
73.02840	10.0
75.00744	10.8
81.77614	2.1
83.01276	3.8
85.02824	19.9
87.00761	4.5
87.04424	2.7
89.02322	66.2
89.02833	4.5
89.26810	2.5
91.60518	3.1
95.01301	5.9
100.27767	2.5
101.02332	36.2
113.02309	17.8
117.01792	2.9
119.03397	21.1
132.90875	2.5
135.06558	25.4
143.03398	6.8
159.02994	2.7
161.04471	10.0
179.05548	9.0
287.17200	2.6
297.08347	13.9
297.11954	21.1
297.24387	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	297.2435
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
51.57071	0.5
56.08776	0.5
59.01248	2.9
70.90805	1.1
70.91138	0.5
71.01268	0.8
89.02296	1.0
101.02276	0.7
101.97475	0.4
135.06528	0.5
137.09656	0.9
139.11072	0.5
141.12740	1.7
146.27676	0.5
155.10689	16.3
155.14229	0.5
156.11021	0.6
171.10161	1.0
183.01122	3.0
261.22266	0.7
279.23294	15.8
280.23633	1.1
282.05161	0.7
295.22845	1.2
297.15329	5.1
297.24344	100.0
298.24670	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	299.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89640	1.0
63.02266	8.3
65.00201	5.3
75.62358	1.1
83.01255	2.3
84.73701	0.9
98.19806	3.0
107.01261	7.1
109.02837	9.6
115.05414	2.3
117.03332	1.8
118.50593	1.0
119.01306	2.2
133.02840	13.2
135.00764	2.0
143.04938	7.3
145.02861	2.9
147.00763	1.5
147.04420	1.4
149.02371	1.2
151.00270	4.3
155.04953	1.9
157.02869	3.9
159.04359	1.9
163.00337	1.1
163.03752	1.3
169.02887	1.1
170.03532	1.1
171.04424	11.2
172.01520	1.2
173.02376	3.3
175.03966	6.3
178.99968	1.2
183.04405	2.1
185.02440	1.3
187.00337	2.5
187.03928	7.3
187.33974	1.2
197.02374	2.9
198.03151	4.8
199.03943	21.0
200.04285	1.6
201.01880	8.1
203.03406	1.6
213.97290	1.3
214.02719	2.1
214.99960	2.0
215.03506	8.3
226.02660	3.4
227.03473	10.0
242.02185	3.7
242.99210	4.4
243.02959	13.6
255.02983	10.0
270.99017	7.7
271.02463	100.0
272.02808	6.9
298.98630	4.2
299.01953	97.1
299.99075	10.6
300.02600	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	295.1915
Annotation	10-Deoxymethynolide
Peak:m/z	Relative Intensity
53.62347	0.9
56.98056	0.9
59.01243	3.9
62.57644	0.9
66.03070	1.0
69.40169	7.0
70.27573	0.8
71.01266	1.1
75.92905	0.9
84.65588	0.9
85.02774	0.8
86.16255	0.8
87.07758	0.8
91.01774	1.2
108.73392	1.0
117.45367	0.8
163.00334	0.9
169.46666	0.9
206.67105	0.8
243.06406	0.9
251.20158	21.9
295.19153	100.0
296.19586	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	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03316	0.8
59.01256	2.7
71.01239	0.6
71.43764	0.7
83.04880	0.4
92.57272	0.3
97.06461	0.5
98.90530	0.3
99.08015	0.4
113.09625	2.2
113.62099	0.3
125.02312	0.3
177.12778	0.7
177.48578	0.3
179.14311	1.2
181.12227	0.7
195.13841	21.7
196.14207	1.2
205.19469	0.3
224.74272	0.3
275.00494	0.4
277.21722	20.7
278.22028	1.9
295.22778	100.0
296.19791	0.5
296.23108	9.0
296.26312	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	4.0
58.80365	3.8
59.01246	16.5
64.76357	3.7
65.64063	3.4
67.01762	5.7
67.65162	3.4
68.99691	9.3
69.61749	10.0
69.62177	19.0
71.01258	11.9
73.02813	9.1
75.00735	5.2
83.01196	4.5
85.02812	6.6
89.02348	5.6
90.11462	3.2
93.03350	3.6
95.01264	15.3
95.04912	4.6
96.95897	5.1
97.02838	11.2
97.06448	5.4
99.00756	6.5
101.02320	11.2
107.04895	4.3
108.02025	6.3
109.02819	5.4
113.02335	7.4
121.06455	4.8
122.03591	5.9
123.00723	8.5
123.04398	5.9
123.08031	8.2
124.01538	6.4
125.02344	13.7
132.04538	4.0
133.10086	5.1
134.03633	7.4
135.04387	4.8
135.06531	5.3
135.08057	4.3
136.05276	3.9
137.02356	5.5
137.09610	10.7
139.07587	24.0
147.08075	9.8
149.05963	5.3
149.09633	13.4
150.03104	14.9
151.07545	22.9
162.03148	46.0
163.07524	6.8
165.09131	52.2
166.09471	5.1
166.94661	3.9
167.05710	3.8
167.07042	17.3
174.03056	5.0
175.07556	9.0
177.09117	36.1
179.07057	13.5
180.07623	3.9
190.06325	11.4
191.07095	14.6
193.08630	45.8
194.08896	5.6
195.10191	3.6
203.07065	10.2
203.60490	4.3
209.04494	4.0
219.06548	72.4
221.08162	100.0
222.08510	6.2
223.77101	3.8
230.28195	4.1
235.09677	7.6
237.07649	86.6
238.08099	4.6
239.09154	13.8
247.06093	10.9
253.10722	20.2
265.07166	76.9
266.07544	5.6
297.04294	4.6
297.10022	41.0
297.24283	26.1
298.09937	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96711	0.5
57.03331	5.3
59.01258	3.4
97.06465	1.3
98.19794	2.0
113.09610	20.2
121.10136	0.7
125.09618	0.6
139.11191	2.6
139.34579	0.5
167.10686	2.7
171.10132	1.2
177.12776	0.7
179.10672	2.6
183.10016	0.5
195.13832	3.7
220.14575	1.2
221.15421	1.8
229.64113	0.6
236.10591	1.6
247.90778	0.5
249.22260	2.2
264.48672	0.5
275.20172	2.3
283.56329	0.6
293.21222	100.0
294.18301	0.7
294.21558	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.8
59.01247	1.3
63.37450	0.6
70.32485	2.5
80.09743	0.6
148.04376	0.6
195.13852	18.3
196.14490	2.4
205.12294	1.5
205.15904	0.9
211.13422	1.5
221.15344	1.0
223.13344	13.6
223.55559	0.7
224.13719	1.0
228.13553	1.7
231.21146	1.2
236.10690	0.7
256.13132	4.4
265.21500	0.9
275.20172	11.2
293.21222	100.0
294.21567	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	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.9
57.03328	2.4
58.00471	4.4
59.01250	100.0
69.37460	6.6
69.37873	15.6
71.01257	73.1
72.99188	6.2
73.02808	5.1
75.00740	6.0
83.01260	3.4
85.02823	20.8
87.00729	3.8
87.04382	7.3
89.02319	69.3
95.01283	7.2
101.02328	46.1
113.02335	23.0
115.00238	6.4
115.03893	13.7
119.03384	31.2
120.99545	5.4
133.04965	38.1
143.03461	3.5
161.04483	8.3
295.10324	97.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19981	0.5
57.03314	1.6
59.01252	3.2
65.00209	0.8
71.01245	0.9
71.56898	0.8
71.95860	0.5
83.82720	0.5
95.01263	1.0
96.95895	1.9
97.06460	1.0
111.59376	0.5
113.09592	0.9
122.85812	0.6
123.08069	1.2
125.09613	4.0
129.44701	0.7
141.12695	1.1
148.98695	0.7
149.09605	2.0
176.98163	0.5
183.13815	0.8
185.11760	9.2
191.82724	0.6
197.11732	2.3
205.12263	0.8
220.14687	2.9
221.15393	5.9
236.10510	3.7
249.22163	1.3
265.21683	0.6
268.94363	0.5
275.20029	1.1
293.21225	100.0
294.21548	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	293.176
Annotation	Unknow
Peak:m/z	Relative Intensity
66.34941	0.3
70.45910	1.0
71.01257	7.0
73.02805	0.4
95.38918	0.3
117.61455	0.3
127.07565	1.1
135.04445	0.3
148.05220	1.8
151.07561	0.4
164.08363	1.3
167.12305	0.3
177.09134	6.1
190.09883	0.3
192.11494	7.6
193.12090	0.7
205.12292	9.0
207.13814	1.3
217.08633	0.7
218.09425	2.2
220.14638	50.6
221.15414	100.0
222.15746	6.4
235.13428	1.5
236.10503	67.8
237.10928	4.8
260.12857	0.3
275.70627	0.3
293.17590	4.8
293.20782	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55136	1.0
59.01235	4.2
65.00198	2.1
71.01246	3.3
76.14719	1.1
88.44672	1.0
89.02350	1.2
93.03320	1.5
95.01282	1.3
98.85677	1.4
101.02339	1.2
109.06501	1.6
121.10117	39.0
125.09632	1.8
127.07491	1.4
127.11102	1.5
148.06931	1.0
155.10670	2.3
166.72668	1.1
171.10178	58.6
172.10526	2.8
176.98174	2.0
183.10199	13.3
183.13814	10.9
185.11771	3.4
192.11594	1.3
193.15941	2.3
211.13312	4.6
220.14650	4.4
221.15393	11.7
231.21140	5.0
235.16945	2.7
236.10550	7.3
242.52280	1.2
249.18602	1.6
249.22142	4.3
264.96201	1.5
275.20154	77.9
276.20413	7.2
293.14172	3.4
293.21210	100.0
294.21533	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71711	0.6
59.01246	1.9
65.00177	0.6
65.03811	1.1
71.01247	1.2
71.57214	0.6
77.53805	0.6
79.95613	2.1
83.04874	1.1
93.06976	2.0
95.95093	0.7
96.63477	0.6
96.95892	100.0
102.66010	0.6
107.68541	0.6
108.52959	0.6
109.06470	1.7
111.08031	1.9
125.06005	0.8
137.05980	2.3
153.66336	0.6
155.05881	0.8
155.07056	11.0
160.55171	0.6
193.15895	1.2
199.03923	0.6
220.14601	2.3
221.15448	4.4
236.10620	3.6
249.18517	0.7
293.17944	62.1
293.20941	2.1
294.18164	4.2
304.35846	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22093	0.5
55.01788	0.5
57.03316	1.7
58.00458	2.0
58.50534	0.5
58.81730	0.5
59.01250	43.7
60.01593	0.6
69.03338	0.8
71.01254	26.1
72.99188	3.0
73.02823	1.9
78.04810	0.5
83.01270	2.4
85.02830	6.1
85.06462	20.6
86.42699	0.5
87.00754	1.5
89.02320	24.6
95.01253	2.0
101.02327	18.5
101.03006	0.8
102.41826	0.6
106.49020	0.7
113.02329	9.9
113.05959	4.7
115.07567	2.8
119.03391	10.6
122.85500	0.6
127.07574	3.4
128.50024	0.5
131.07036	84.1
132.07370	2.3
143.03426	0.9
148.99780	0.5
161.04443	0.9
173.08125	2.0
179.05566	1.1
187.66904	0.5
197.34634	0.5
247.02153	0.9
249.03049	2.2
293.12430	100.0
294.12805	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	293.0879
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
50.10274	2.1
50.99475	2.2
55.01757	3.3
57.03314	4.0
58.00453	5.4
59.01250	100.0
69.03333	2.8
71.01257	88.8
71.56470	4.4
72.75448	2.4
72.99178	7.5
73.02822	32.5
83.01247	7.2
85.02832	29.6
87.00752	6.1
87.54801	2.1
89.02321	48.3
95.01260	6.2
96.27557	2.4
99.00747	8.8
101.02328	47.2
101.23191	2.2
103.03863	6.4
113.02335	25.8
119.03402	18.4
127.00259	6.2
130.16966	2.1
131.03406	41.3
143.03355	3.7
161.04491	9.0
170.51065	2.7
173.04576	2.2
213.07938	2.2
227.20509	2.3
278.69675	2.4
293.08777	78.0
294.09024	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	293.1032
Annotation	Coriarin
Peak:m/z	Relative Intensity
50.40609	0.6
54.02145	0.6
54.22761	0.5
55.01755	0.7
59.01234	1.6
65.00188	2.6
67.01750	2.2
68.99689	1.7
69.03320	0.8
71.01255	2.6
71.05685	1.3
71.06026	0.8
72.99168	3.0
82.00460	0.7
83.01257	2.9
85.99945	0.7
87.00760	1.5
89.02346	0.6
92.38525	0.6
95.01263	2.3
96.95937	0.7
96.99207	0.8
97.02849	1.1
99.00748	0.9
106.00479	1.0
109.99968	3.6
111.00770	20.2
123.00796	2.2
124.01527	8.7
124.02394	0.7
125.02342	21.6
126.02675	1.1
127.00270	8.6
136.98711	14.4
138.03065	0.7
139.00272	22.3
140.01054	39.4
141.01424	0.7
148.98721	1.1
151.00313	0.8
154.99783	3.3
165.74089	0.5
168.00558	49.9
169.01337	25.9
170.01677	0.7
180.04224	4.2
203.59001	0.6
208.18877	0.6
210.18954	0.6
223.75684	0.6
264.96246	1.1
293.10312	100.0
294.10657	6.0
303.44351	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99368	0.6
54.56595	0.6
58.02864	0.9
59.01247	1.1
61.23429	0.6
65.00179	1.6
68.02416	2.0
71.01257	2.2
71.56741	1.1
80.68533	0.6
101.56283	0.8
156.13843	100.0
157.14221	4.7
192.11444	0.8
200.12816	6.5
220.14641	4.4
221.15410	10.0
236.10487	8.0
248.02805	1.0
292.19946	4.7
293.17722	0.8
293.21240	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	292.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02843	1.1
59.01242	2.0
59.14968	0.7
59.70495	0.7
65.00204	0.9
68.02415	1.3
71.01290	0.8
71.56801	1.3
78.95754	1.1
82.75354	0.8
85.04115	0.7
95.01311	1.6
148.98744	0.8
156.13846	100.0
157.14166	5.0
176.98225	0.7
182.93800	0.8
200.12894	6.0
220.14615	3.8
221.15416	8.9
231.17683	0.8
236.10524	5.0
248.02820	2.0
249.18588	6.1
264.96393	1.1
276.56796	0.8
292.19965	2.3
293.14377	1.2
293.17606	5.3
293.21237	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	291.1967
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
58.88096	0.4
63.27386	0.4
66.52546	0.3
69.42169	0.8
69.42576	2.8
70.44591	0.4
73.02820	53.6
74.03168	0.5
79.14660	0.4
91.70260	0.3
101.17437	0.4
121.02764	0.4
139.07439	0.3
147.55858	0.4
171.51225	0.4
173.02377	0.4
191.03444	0.5
219.02676	0.4
247.02470	2.2
248.02794	0.4
291.19662	100.0
292.20013	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	292.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01780	2.1
59.01219	1.8
67.01759	3.2
68.02393	1.4
69.73771	5.6
69.74186	3.8
71.01250	2.5
72.00784	7.5
72.04409	4.8
80.96412	2.2
82.02854	92.0
83.01264	13.3
83.03207	2.2
84.04425	11.6
85.02824	2.7
91.05410	2.7
94.02849	7.5
98.02360	26.8
99.00759	2.8
100.03914	13.8
109.02851	1.9
110.02296	2.2
111.03143	24.3
112.74895	1.4
118.06499	8.4
126.01860	3.9
127.00232	10.8
131.04890	2.0
144.08131	2.8
147.04428	41.0
148.04749	2.6
156.08075	1.8
159.08121	2.4
164.07083	49.5
165.07443	2.1
184.07608	25.4
186.09152	15.5
193.06865	1.4
202.08676	23.3
202.52747	1.5
203.09004	2.3
220.09694	1.9
230.08176	21.3
246.07689	100.0
247.08009	5.9
248.02728	4.1
248.09300	3.4
274.07236	36.4
275.07474	1.6
292.08450	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	291.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02291	0.5
69.59911	0.5
69.92385	1.5
69.92805	2.6
71.38665	0.5
73.91286	0.6
91.05413	1.4
98.19704	0.5
103.05426	1.0
105.03350	8.0
117.03378	0.8
119.04931	6.2
121.02859	1.1
121.06464	0.6
130.04132	1.9
131.04918	3.4
132.02055	0.7
133.02885	0.7
135.04382	0.7
138.49063	0.7
145.02846	1.2
147.04414	17.2
148.04752	1.0
149.02425	1.1
158.03618	3.9
159.04431	8.2
160.01584	0.9
161.02373	1.3
163.03905	0.9
169.81992	0.7
173.02359	1.8
174.03104	1.7
175.03928	82.2
176.04274	4.4
177.05501	8.9
185.02306	0.9
190.02646	1.3
191.03429	5.8
201.01805	1.1
203.03441	62.2
204.03813	4.0
219.02997	2.4
221.04507	13.1
226.92210	0.6
245.00584	0.6
247.02458	100.0
248.02837	5.9
273.00479	1.1
291.01495	19.8
291.05011	1.8
292.01959	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03346	0.3
59.01236	0.7
62.18633	0.3
65.90977	0.3
71.01238	0.3
76.26830	0.3
93.03338	0.7
95.04879	0.4
97.06470	0.5
116.45979	0.3
119.04885	0.6
125.06003	0.5
141.09206	0.3
148.08849	1.4
150.10374	1.1
163.11174	1.2
165.12758	26.1
166.13063	1.6
175.11150	0.5
176.11932	0.9
177.12694	0.5
179.14250	0.4
189.12621	0.4
189.28790	0.3
190.02512	0.3
191.03500	0.5
191.14322	0.7
217.15965	0.5
219.02933	0.4
224.38777	0.3
245.19080	0.6
246.98854	0.3
247.02448	2.2
247.20663	13.4
248.20984	1.2
255.17656	0.3
273.18597	7.3
274.18967	0.7
291.01276	0.7
291.19650	100.0
292.20020	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	289.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34919	0.9
53.03851	0.9
55.01757	2.7
56.45233	0.9
57.03322	0.9
58.99829	1.0
59.01249	9.8
59.18009	0.8
67.01768	1.6
68.11591	1.1
68.99703	1.5
69.03329	4.4
71.01263	7.3
71.56990	1.3
72.99174	9.5
75.00755	2.8
80.96448	1.4
81.03329	39.5
82.03682	1.4
83.01267	2.9
84.70111	0.9
85.02815	2.9
87.00763	1.9
95.01268	1.4
97.02831	6.0
99.00755	19.7
99.01351	1.6
99.04399	3.1
101.02326	1.0
101.05962	100.0
102.06288	2.0
103.00239	3.6
111.00768	2.6
112.80519	0.9
113.02316	2.5
115.03893	1.1
117.03339	1.2
123.04436	0.9
124.01561	3.6
125.02336	96.9
126.02732	2.9
127.07536	6.2
130.01556	1.1
133.02849	3.4
135.04427	2.3
141.01828	1.0
143.03398	6.6
159.02939	1.1
161.02399	2.5
161.04478	3.5
163.03888	1.0
177.01840	6.7
187.02402	13.3
189.01877	3.5
205.01379	6.9
205.03490	7.7
216.00601	0.9
217.01360	3.5
224.82880	1.0
233.00903	6.2
245.00826	2.2
245.07950	1.1
245.10287	2.4
261.00397	8.8
262.00824	1.6
263.39346	1.2
270.98712	1.3
288.99908	20.3
289.03235	1.2
289.09317	16.7
289.12155	1.4
290.00424	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	291.0147
Annotation	Phyllanthusiin E
Peak:m/z	Relative Intensity
53.43857	0.3
69.77929	2.2
89.03911	0.3
89.83155	0.4
93.03352	0.4
98.20527	0.6
100.23264	0.3
103.05384	0.4
105.03344	0.5
107.04881	0.8
114.90560	0.4
117.03313	0.9
119.04933	3.5
121.02870	0.5
128.96153	0.4
133.02803	0.9
135.04405	2.6
141.57152	0.3
145.02856	5.7
147.04430	6.0
149.02357	0.5
159.04451	0.5
161.02289	0.8
163.03914	5.1
173.02368	7.6
174.03040	1.3
175.03920	4.5
176.01083	1.1
177.01768	0.6
189.01898	0.6
190.02649	6.1
191.03435	21.3
192.00702	0.4
192.03754	0.8
201.01883	1.0
203.03401	1.5
204.00534	0.5
205.01469	0.4
217.01440	0.6
218.02122	1.2
219.02922	7.9
229.01422	1.0
230.02086	0.4
243.87483	0.4
246.01666	0.8
247.02455	100.0
248.02795	5.8
291.01480	10.6
291.04715	0.6
292.01819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1606
Annotation	Mesembrine
Peak:m/z	Relative Intensity
52.07304	0.4
54.56366	0.5
59.01243	1.8
62.29639	0.5
70.91466	0.5
71.56789	0.9
80.03591	0.5
81.03323	1.9
84.56441	0.5
85.09032	0.5
89.00198	0.7
92.04942	1.1
93.03342	2.2
108.04424	6.8
109.02833	5.3
110.03240	0.6
121.02856	0.6
124.01506	0.5
125.12001	0.5
130.86497	0.5
134.02374	43.8
135.03175	9.1
136.03941	44.8
137.02377	2.4
137.04283	0.8
143.11034	0.6
148.03952	1.0
149.04706	1.9
162.75751	0.6
176.03453	5.7
177.04077	0.5
189.01904	0.7
190.05026	0.7
216.97920	0.6
233.01254	0.5
287.98611	0.9
288.16058	100.0
288.96234	0.8
288.99728	1.5
289.16327	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	288.9991
Annotation	Phelligridin J
Peak:m/z	Relative Intensity
52.90570	1.5
59.01257	1.7
65.00195	2.2
89.03845	4.1
95.04903	2.3
105.03350	5.8
117.03362	11.4
121.02847	5.9
130.12856	1.6
131.01262	4.3
133.02829	13.3
139.93076	1.5
143.01300	4.2
145.02852	13.6
147.00827	3.5
148.01501	2.0
149.02303	9.9
159.00792	3.8
160.01497	1.8
161.02348	29.7
163.03920	4.6
171.00839	5.9
173.02457	8.1
175.00307	1.9
176.00998	2.0
177.01859	31.8
178.02220	2.6
187.00299	4.5
189.01895	21.8
199.00395	2.9
201.01820	3.0
205.01378	33.7
206.01970	2.3
214.99870	9.6
216.00336	2.6
217.01448	22.6
233.00902	31.1
242.99329	9.3
243.99942	3.9
245.00877	28.9
245.03142	2.9
246.98955	3.5
260.98322	1.6
261.00418	43.5
261.02850	1.6
262.00693	2.5
270.98853	32.6
271.99438	3.3
273.00415	2.4
288.99899	100.0
290.00415	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	286.2388
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01244	0.4
60.81349	0.3
70.02864	1.9
71.14554	0.8
71.14886	0.4
74.05984	2.3
78.95778	0.4
118.05004	1.0
125.02320	0.9
128.43466	0.4
131.01250	0.4
214.99883	0.7
224.41052	0.3
230.99258	0.3
240.23283	3.5
242.21275	1.8
242.24879	0.6
268.22815	1.2
286.04468	2.3
286.23868	100.0
286.98276	2.1
287.16299	0.4
287.24231	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	286.9835
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00207	1.2
69.24433	3.2
69.24850	0.6
75.02274	2.1
75.54238	0.3
80.96400	0.5
89.00224	0.7
91.01783	1.2
93.03344	1.1
95.01261	0.5
98.20547	0.7
103.01777	4.5
115.01767	2.9
117.03343	0.9
119.01304	1.6
121.02837	1.6
125.02393	0.4
131.01292	11.0
143.01288	3.9
147.00769	4.2
149.02341	1.7
151.00334	0.4
159.00790	13.5
160.01207	0.7
161.02321	0.9
163.00262	0.8
164.63499	0.3
171.00775	2.7
175.00269	4.3
176.00963	0.6
177.01878	1.3
187.00294	30.7
188.00706	2.0
189.01894	0.5
190.99768	0.7
199.00256	0.5
202.99814	3.9
204.00540	0.4
205.01247	0.5
214.99806	49.4
216.00201	3.4
230.99313	12.4
231.02879	0.4
231.99930	0.9
242.99307	5.7
244.00027	1.1
245.00867	0.4
258.98807	3.3
259.02496	0.5
259.99615	1.5
272.06882	0.5
286.98328	100.0
287.98727	8.5
288.01581	0.5
298.76050	0.3
301.78564	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2073
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
56.39207	0.4
57.03325	0.8
59.01255	1.1
69.03366	0.4
77.85675	0.6
78.95779	0.9
81.41824	0.4
82.78474	0.4
83.04948	0.6
86.93374	0.4
93.03360	0.5
99.05415	0.5
107.01257	0.6
151.00220	0.7
221.19077	0.7
223.20625	74.2
224.20969	4.9
229.31441	0.5
241.21684	2.2
259.15933	0.4
267.19656	39.7
268.19894	3.9
285.04095	6.7
285.20712	100.0
286.04388	1.0
286.21078	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	285.0401
Annotation	Luteolin
Peak:m/z	Relative Intensity
59.59218	0.8
63.02255	3.5
65.00188	2.5
81.23818	0.7
81.52452	0.8
83.01235	3.0
83.85802	0.7
85.19444	0.8
93.03337	3.7
98.19764	2.3
107.01294	7.5
109.02796	0.8
113.38258	0.7
117.03336	1.6
134.38763	0.8
135.00775	1.3
137.08392	0.8
143.04944	1.5
145.02827	1.6
146.72827	0.8
151.00258	9.2
153.39349	0.9
154.04146	1.1
157.06531	1.0
159.04408	1.7
161.02414	0.8
163.00325	2.1
164.01057	1.7
169.01315	3.2
169.06500	1.0
171.04456	1.6
173.02376	1.0
185.06024	3.9
187.03906	3.5
199.04054	1.1
211.03931	1.7
213.05516	2.4
227.03444	1.8
228.03830	1.2
229.05048	8.8
239.03517	1.4
256.03604	1.6
257.04456	6.9
267.02933	1.0
285.00641	3.7
285.04037	100.0
286.04391	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	281.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61600	1.7
55.17900	2.1
57.03323	2.9
59.01255	100.0
71.01240	2.8
71.04886	6.0
73.02822	6.8
81.03336	4.1
87.00761	19.7
95.04907	4.6
96.95867	5.1
97.06449	2.7
97.12218	2.0
98.20591	5.0
107.04876	3.0
112.31423	2.2
120.05684	5.4
121.06488	4.9
125.02331	10.1
133.10097	2.2
146.07224	3.5
152.04704	1.9
157.06448	2.5
159.11688	2.6
161.09645	41.8
161.13278	7.3
162.10023	2.7
169.01314	10.1
172.08951	2.2
187.11217	74.5
188.11543	6.3
189.09149	9.0
205.12260	5.6
219.13855	21.3
246.81970	2.4
267.12201	3.2
281.10638	10.5
281.13889	4.1
281.17764	4.4
281.20737	2.6
281.24918	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	281.2485
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
59.16716	0.3
61.27025	0.4
64.52924	0.4
69.92905	2.1
70.41709	0.4
77.85940	0.4
151.88702	0.4
172.46469	0.4
281.24850	100.0
282.25195	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	283.1704
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
50.16066	0.5
51.58858	0.4
56.10881	0.4
59.01247	0.5
64.08483	0.4
78.24571	0.5
98.19838	1.1
106.04140	0.4
107.04907	100.0
108.05248	3.2
113.21685	0.4
134.56537	0.5
163.11197	96.3
164.11539	5.1
214.87836	0.4
229.25447	0.4
249.44122	0.4
283.17032	83.9
283.22989	3.1
283.26376	40.2
284.17404	7.8
284.23743	0.6
284.26688	3.1
302.33240	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0404
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.25813	0.4
59.01252	2.3
63.02270	4.2
65.00200	2.6
65.03846	0.4
68.14449	0.4
69.59570	2.5
69.65763	0.4
79.01809	0.4
83.01272	3.4
91.01785	0.8
93.03346	4.7
95.01260	1.1
95.30986	0.3
95.96821	0.4
107.01282	7.9
108.02106	0.8
109.02839	1.4
111.08090	0.5
117.03337	1.2
119.01247	0.4
123.00747	1.0
123.04440	0.8
130.04192	0.6
131.04933	1.2
133.02866	0.6
135.00786	1.7
136.01410	0.3
137.02307	0.8
141.06975	0.4
143.04942	3.2
145.02837	1.7
145.06493	0.8
151.00276	8.2
153.01901	0.5
154.04176	0.9
155.04893	1.0
156.05692	0.5
157.06525	2.1
159.04446	3.3
161.02417	0.5
163.00287	2.9
164.01021	1.3
165.01854	0.8
167.04961	1.5
168.05569	0.4
169.01382	3.6
169.06534	1.8
171.04428	1.7
173.02357	0.8
173.06052	0.6
183.04370	0.9
184.05098	0.6
185.06036	4.9
186.06418	0.5
187.03940	5.6
189.05501	1.7
191.03378	0.5
192.00406	0.4
195.04424	1.1
196.05200	0.7
197.05960	1.1
197.15454	0.6
198.03142	0.4
199.03961	0.9
201.05513	1.1
209.48579	0.3
211.03996	3.2
212.04713	0.4
213.05530	4.1
214.02551	0.8
215.03474	1.1
225.14752	0.7
227.03426	3.2
229.05020	14.6
230.05325	0.9
239.03450	2.8
240.04149	0.9
241.04997	2.0
243.02867	0.8
243.15984	5.2
255.02963	1.2
256.03522	1.4
257.04541	9.9
258.04810	0.4
267.03107	0.9
284.26782	1.2
285.04053	100.0
285.27069	0.6
286.04416	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	279.2329
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01224	0.8
71.36643	1.1
88.88496	0.6
88.95762	0.6
89.42725	0.6
261.22223	0.6
279.23291	100.0
280.23657	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	281.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	4.7
55.54361	1.8
57.03323	3.6
58.00468	6.1
59.01252	83.2
61.38599	1.7
61.63067	1.7
71.01257	100.0
71.56571	3.1
72.99177	5.8
73.02827	17.4
75.00752	3.2
78.20641	1.8
79.54376	1.8
83.01270	12.4
85.02826	32.9
87.00762	3.9
87.04405	3.1
89.02321	61.1
95.01261	7.3
99.00747	9.6
101.02328	69.0
113.02334	40.6
119.03399	21.3
119.07063	12.0
121.06576	2.0
125.02364	3.1
126.21463	1.9
127.69288	1.6
131.03386	2.1
132.57285	2.0
133.01329	1.9
143.03419	2.7
159.02919	5.5
161.04460	27.0
179.05550	2.9
183.10426	2.0
193.05032	2.0
204.66225	2.0
236.59436	2.3
281.08792	11.8
281.12421	21.8
281.24750	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	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18710	0.3
54.89529	0.3
59.01254	7.3
65.00191	0.3
69.27848	3.2
71.01255	1.0
83.04880	0.5
89.00195	2.4
92.99689	0.7
103.77976	0.2
107.64617	0.2
116.99705	0.4
117.03310	0.3
117.32616	0.3
121.02823	0.3
127.07579	0.4
159.63663	0.3
160.98676	1.5
179.87263	0.3
188.98180	0.5
189.01689	0.4
194.92697	0.5
204.97742	1.0
205.15900	1.5
213.55225	0.3
227.04510	0.3
232.97227	0.7
233.00938	0.7
233.19020	0.9
233.22745	0.5
243.17485	0.7
259.20618	0.5
261.18536	1.3
275.20169	0.7
276.96228	0.8
277.03397	0.5
277.18219	9.7
277.21701	100.0
278.18771	0.5
278.22052	8.8
292.72739	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.217
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
54.62900	0.2
59.01249	3.1
68.01624	0.2
71.01244	0.5
83.04887	0.2
88.27895	0.2
89.00205	0.5
98.20614	0.4
107.93151	0.2
124.66772	0.2
127.07518	0.4
129.00516	0.2
204.97665	0.3
205.15846	0.2
233.22617	0.5
259.20697	0.5
275.20105	0.6
277.21707	100.0
278.22067	8.3
278.24585	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.53862	0.7
59.01260	1.0
70.90423	2.4
77.18392	0.7
109.19611	0.7
154.06676	0.7
259.20453	0.7
262.33279	0.8
277.21732	100.0
278.22055	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	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.64974	0.3
52.50112	0.4
52.90088	0.4
54.35825	0.3
56.31043	0.3
59.01253	3.6
59.83202	0.3
65.00187	0.3
71.01246	0.9
83.04895	0.4
89.00199	1.9
92.99692	0.7
116.99694	0.5
122.88066	0.4
127.07580	0.5
160.98700	1.2
164.85007	0.3
181.86615	0.3
188.98232	0.5
204.97670	0.6
232.97203	0.7
233.22681	0.8
259.20642	0.7
275.20236	0.5
276.96240	0.5
276.99826	0.4
277.21716	100.0
278.19003	0.5
278.22089	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	279.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18949	1.2
57.10144	1.1
59.01267	2.7
59.80526	1.2
63.02265	2.4
65.00195	3.1
66.50101	1.3
69.68827	1.0
70.14075	4.0
70.14479	2.6
71.01244	1.6
75.02274	5.5
85.02863	1.2
87.00838	1.1
89.00215	1.4
91.01775	22.9
93.03342	4.4
95.00681	1.1
95.01273	4.0
96.95856	1.3
103.01789	4.7
105.03363	1.8
105.89001	1.3
107.04906	2.6
108.02068	9.0
109.02841	8.6
119.01273	26.6
121.02829	6.5
123.04395	1.7
124.01611	1.3
131.01276	14.2
132.02043	2.5
133.02827	3.2
135.00775	2.1
135.04433	5.2
136.01559	2.4
137.02348	3.6
145.02893	1.7
147.00784	78.3
148.01588	19.5
149.02310	3.4
151.00282	1.8
151.03889	3.7
153.05440	1.5
159.00781	10.8
159.83580	1.4
160.01070	1.3
163.00298	5.3
163.03896	4.6
164.01122	1.9
165.01843	3.3
175.00290	61.0
176.01068	59.7
177.01746	8.2
178.99724	1.9
179.03413	11.2
190.02675	7.7
190.99750	6.4
191.03419	18.7
192.00516	7.1
193.01329	4.0
202.99800	73.5
204.00133	3.4
206.99330	1.8
207.02931	12.6
207.13873	3.0
208.03252	1.3
218.99249	7.5
219.02869	2.7
220.00117	2.9
221.00861	27.7
222.01117	1.4
235.02451	74.2
235.17043	1.4
236.02844	4.1
246.98816	80.0
247.99193	6.0
249.07832	1.6
260.96918	1.3
278.22354	1.2
279.01462	100.0
279.13052	1.8
279.16043	7.2
279.19275	1.9
279.23276	5.0
280.01605	6.3
285.88684	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17691	0.4
57.42569	0.4
59.01250	52.0
60.01585	0.5
71.05124	1.0
79.95647	0.7
89.00201	2.6
96.39288	0.5
107.71786	0.5
119.04924	1.0
135.73277	0.5
137.05997	0.6
139.00281	0.5
139.07521	3.4
152.91629	0.9
160.98715	1.2
196.48360	0.5
204.97672	0.9
205.01326	0.6
205.15903	12.5
206.16293	0.9
221.11763	1.0
232.97249	1.0
233.19026	6.6
276.96234	0.6
276.99496	0.7
277.18085	100.0
277.21463	6.5
278.18405	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.166
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
57.35561	0.5
59.01051	2.5
59.01382	5.5
59.44431	0.7
59.98174	0.6
65.00301	0.8
69.03473	0.6
71.01355	0.9
89.00376	3.3
92.99797	1.2
96.08315	0.6
98.20667	1.2
121.03150	6.0
141.11891	0.6
144.99321	0.6
146.99405	0.7
147.08350	3.6
149.00977	0.8
151.78047	0.6
160.98723	3.1
162.98886	0.7
165.00380	12.8
180.99867	1.2
186.30347	0.7
188.98390	1.0
189.04086	0.9
191.05597	13.0
192.05649	1.0
204.97833	2.0
205.01366	1.0
205.07169	1.6
205.15968	1.8
207.05235	0.7
217.07191	0.9
231.08853	1.7
232.97241	1.6
233.10312	100.0
234.10452	9.0
251.11581	1.1
276.96143	1.9
277.16513	81.4
277.21384	27.7
278.16684	9.7
278.22079	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	275.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80142	1.3
69.80561	1.8
71.01252	0.6
71.41286	0.5
74.08255	0.5
83.59696	0.5
85.02840	0.5
98.19860	0.7
117.03417	0.6
119.04877	0.7
129.03307	0.5
131.04900	0.9
133.02867	1.0
134.02899	0.4
145.02850	2.6
147.04417	3.9
157.02837	1.5
159.04417	1.7
161.02348	0.7
163.03902	2.8
173.02380	3.3
174.03070	0.8
175.03889	3.8
177.01834	1.0
185.02382	2.8
187.04189	1.3
189.01834	0.8
190.02565	1.6
191.03424	4.5
200.01331	0.6
201.01863	8.9
202.02632	1.3
203.03409	7.6
205.01361	0.6
213.01865	1.4
218.02318	0.6
219.02959	3.6
228.00594	0.5
229.01373	22.9
230.01703	1.4
231.02936	2.8
245.00922	0.5
247.02538	2.3
257.00888	21.8
258.01614	9.6
259.02094	0.6
274.01151	1.3
275.01962	100.0
276.02295	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	277.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19378	1.4
68.22977	1.5
69.20374	1.5
69.29116	13.5
71.01240	4.6
92.04937	100.0
93.05274	3.6
94.02841	3.0
100.03924	4.3
103.07995	1.7
112.35775	1.6
134.96979	3.2
136.03949	12.1
136.93854	2.7
140.07112	3.4
188.55266	1.5
196.51541	1.5
231.48235	1.4
233.12939	18.4
233.25974	1.5
251.13976	5.9
277.11832	2.3
290.85672	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	271.228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04098	0.3
59.01243	0.5
60.82882	0.3
63.36169	0.3
71.56489	0.7
88.84351	0.4
105.86687	0.3
109.02830	0.6
116.76900	0.3
125.02341	2.0
193.87221	0.4
205.48068	0.4
209.18982	0.7
210.71852	0.4
211.20625	1.7
225.22214	1.4
238.19188	0.4
241.04887	0.5
253.21771	2.0
256.07303	0.5
269.21295	0.5
271.22778	100.0
272.23117	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	271.2278
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
53.03598	0.2
59.01256	0.4
59.69894	0.2
63.30921	0.2
69.62944	0.2
74.11268	0.2
81.62768	0.2
83.96433	0.2
98.19765	0.5
109.02803	0.3
116.57298	0.2
125.02341	1.2
209.28125	0.2
223.20523	0.3
225.22192	4.7
226.22539	0.4
229.31953	0.3
253.21664	1.9
256.07343	0.2
269.21182	0.8
271.22781	100.0
272.23135	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	273.0769
Annotation	Phloretin
Peak:m/z	Relative Intensity
59.01253	0.5
60.66299	0.5
67.01760	0.8
68.06232	0.4
69.03322	1.5
69.33062	2.8
69.33482	1.8
71.01246	0.5
72.20712	0.4
81.03329	0.8
83.01286	0.5
95.01290	0.7
97.02831	2.9
109.99985	0.7
111.00772	3.9
123.00795	1.6
124.01546	2.7
125.02335	98.2
126.02647	2.2
127.00249	1.8
131.67679	0.4
136.98723	2.7
139.00255	4.0
140.01047	6.9
168.00549	3.1
169.01335	92.5
169.76268	0.5
170.01683	2.8
211.16966	0.5
213.14868	1.4
273.07669	100.0
273.17117	1.8
273.20792	1.2
274.08032	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	273.0769
Annotation	Phloretin
Peak:m/z	Relative Intensity
52.59542	0.3
57.03325	2.9
59.01251	1.4
63.02273	0.5
64.99883	0.5
65.00198	3.6
68.99718	0.4
69.03327	0.5
69.32349	3.2
75.96685	0.3
81.03330	30.2
82.03667	0.6
83.01257	9.6
83.18808	0.3
93.03336	10.2
93.03918	0.5
94.03692	0.4
95.01283	0.8
95.04913	1.3
99.04427	0.7
107.01283	3.4
107.04942	0.4
117.03413	0.4
119.04921	25.6
120.05251	1.1
121.02813	0.5
122.03590	0.4
123.04411	48.9
124.04737	2.0
125.02335	14.9
133.02782	0.4
135.04443	1.6
137.02338	0.4
145.02831	0.4
145.06505	0.7
147.04391	1.0
149.02350	0.9
151.00276	5.9
161.02368	0.7
161.06067	0.4
166.02646	0.6
167.03415	100.0
168.03754	4.6
169.06519	0.7
171.04497	0.7
173.02446	0.4
174.15651	0.3
179.03421	8.3
185.06052	0.6
187.07620	0.8
189.05502	4.6
207.32603	0.4
211.07529	1.0
229.08672	1.2
245.00931	1.0
245.04422	0.5
255.06561	0.9
263.02786	0.4
273.00357	1.5
273.07684	49.8
274.01126	0.4
274.07980	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	267.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	4.3
57.03324	3.9
58.00463	4.6
59.01250	81.6
60.60408	3.3
62.48462	3.0
70.01132	20.5
71.01258	100.0
72.99180	7.9
73.02817	30.3
75.83452	3.2
79.41193	3.1
81.70789	3.6
83.01266	14.9
85.02824	41.4
87.00768	10.5
89.02321	39.8
91.45376	3.7
95.01276	6.3
95.79516	3.8
98.20480	5.3
99.00766	11.0
101.02327	97.9
105.05457	14.9
113.02322	44.7
119.03401	13.5
143.03407	8.4
159.02908	9.0
161.04468	43.0
162.92825	3.4
179.07108	4.6
205.05052	4.8
267.10785	32.5
275.10321	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	267.1238
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
52.79592	0.6
57.03323	2.6
58.61579	0.8
59.01250	100.0
59.97665	0.6
60.01571	1.3
70.58655	1.7
71.01259	0.8
71.04906	2.1
83.04896	1.4
83.16953	0.7
87.00762	2.0
101.02359	0.6
102.60152	0.6
110.65553	0.7
125.02370	0.7
150.50462	0.7
157.59247	0.7
161.13300	2.8
163.11232	1.9
169.01331	1.0
204.33675	0.8
205.12267	1.2
207.10283	2.0
223.13341	31.3
224.13699	2.8
226.93404	0.6
237.09937	0.7
242.23747	0.6
267.12485	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	269.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.5
65.00201	0.2
71.01286	0.2
71.38360	0.3
72.69596	0.2
87.04375	0.3
98.83824	0.2
101.03857	0.2
114.12547	0.2
115.05412	0.3
130.13300	0.2
141.03374	3.7
143.04912	0.2
147.04453	0.5
157.02881	1.0
159.04407	0.3
169.01421	0.4
169.02861	7.1
185.02374	4.6
196.01575	0.7
197.02417	1.3
207.13899	0.3
213.01869	3.3
215.03401	0.6
223.00111	0.2
225.01994	0.9
225.14902	0.2
230.71649	0.2
240.00656	0.6
241.01410	1.8
247.73138	0.2
250.99783	0.2
268.00134	2.8
269.00906	100.0
269.13843	0.9
269.17581	0.7
269.21198	2.7
269.24789	0.4
270.01254	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	271.1915
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
67.06947	0.9
70.98186	1.7
70.98528	2.2
71.54924	0.9
75.05792	0.9
93.15216	1.1
98.09057	1.0
103.46120	1.1
108.02049	1.2
109.02847	1.4
125.02322	4.0
130.19223	0.8
209.19049	58.6
210.19362	4.4
227.20129	2.0
241.04913	2.0
253.18069	41.3
254.18413	3.0
256.07553	1.7
256.65497	1.0
271.19147	100.0
271.22552	5.4
272.19498	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	265.0718
Annotation	Luisol B
Peak:m/z	Relative Intensity
52.93590	1.3
59.01239	2.0
65.00198	4.0
67.01769	2.6
67.27942	1.3
68.99689	2.3
71.01263	3.4
72.99174	4.6
73.02846	1.4
82.00497	2.1
83.01251	4.0
84.02042	3.8
85.35815	1.2
92.99671	1.9
95.01277	7.0
95.04908	9.5
99.00718	1.2
109.99989	4.9
111.00774	30.3
111.01485	2.6
113.05978	15.4
123.00772	17.3
124.01568	18.8
125.02363	10.9
127.00268	10.9
136.98718	17.9
137.81393	1.3
139.00273	32.7
140.01067	44.1
141.01834	2.4
149.06050	2.4
151.00282	30.4
152.00621	1.5
154.99800	5.0
158.68019	1.3
163.03995	1.3
168.00569	100.0
169.00972	2.9
177.05492	5.8
191.03340	1.7
192.00555	1.7
193.08698	2.1
203.07065	13.3
221.04585	13.4
221.08092	17.8
222.04828	1.4
264.96320	1.8
265.07181	70.7
266.07483	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	265.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74905	2.2
53.32848	2.3
57.03306	2.9
58.00471	2.3
59.00952	2.6
59.01252	49.1
62.71379	1.7
65.26062	1.8
69.81652	1.7
70.31714	4.9
71.01251	28.3
71.38260	1.8
72.99167	4.5
83.01254	2.6
85.02828	32.4
89.02317	24.9
100.19197	1.8
101.02321	16.2
103.03899	46.1
113.02319	10.6
119.03382	13.2
131.04880	1.8
149.05980	3.4
150.22105	2.1
163.90681	2.1
177.05499	8.6
186.72729	2.1
221.04498	4.9
265.03497	8.0
265.09293	100.0
266.09436	5.4
267.70056	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	267.072
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
55.01743	7.2
57.03317	14.8
59.01249	81.9
70.84969	14.7
71.01252	100.0
72.99187	10.6
75.00744	44.7
78.95773	12.6
82.51616	5.3
85.02827	90.0
87.00755	66.8
89.02314	28.1
95.01257	13.1
99.00755	18.4
101.02303	8.4
105.01794	18.3
113.02327	76.6
115.38710	5.8
117.01855	5.9
267.07217	91.8
284.04919	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	261.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38968	0.7
57.03326	15.0
59.01236	1.9
69.03330	3.6
71.01256	2.8
71.04907	1.6
71.57547	1.5
72.99171	1.7
80.91557	1.9
85.02821	16.5
93.03333	0.7
95.04916	0.8
97.02834	3.8
97.46806	0.8
101.02303	1.6
101.05963	49.5
102.06300	1.6
106.68771	0.8
109.01549	2.3
112.16392	0.8
113.02346	6.9
115.00222	1.3
115.03900	14.8
133.02905	1.1
136.25027	0.7
141.01842	1.2
146.06030	3.4
147.04396	1.1
159.02907	100.0
160.03259	2.6
161.02393	4.1
189.01797	1.1
210.11037	1.0
210.13440	0.9
217.01431	0.9
218.08151	1.6
233.00914	1.7
236.90355	0.8
242.94711	0.8
244.06308	1.0
261.00424	4.9
261.09656	1.8
261.22202	1.4
262.07135	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0195
Annotation	Ancistroquinone E
Peak:m/z	Relative Intensity
51.59290	1.3
54.39396	1.4
86.01693	1.3
98.19767	5.0
105.03349	1.7
107.04891	4.1
117.03339	5.3
119.04916	6.5
120.01163	1.5
121.02895	2.9
123.00779	2.4
130.53114	1.5
135.04419	12.8
145.02850	14.9
147.04411	11.7
149.02390	3.5
153.14484	1.4
161.02383	1.9
163.03914	17.4
164.01076	2.2
173.02339	7.9
174.03094	1.7
175.03931	6.4
176.01105	2.3
177.01811	2.2
183.02985	3.9
189.01840	8.0
190.02657	4.5
191.03432	60.0
192.00652	2.6
192.03798	2.8
193.01381	1.9
201.01813	1.9
201.05627	2.9
203.03537	2.5
207.02924	3.9
216.00497	1.8
217.01410	7.3
219.02924	32.3
220.03200	1.7
235.02400	11.8
245.00893	15.6
246.01277	1.4
263.01968	100.0
263.05487	9.5
264.02255	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	263.1286
Annotation	Hydroxyanthecotulide
Peak:m/z	Relative Intensity
57.03323	3.1
59.01249	4.3
61.74177	2.5
64.58887	2.6
64.70407	2.3
69.26717	19.9
69.27137	7.0
71.01254	6.8
80.03711	2.3
83.04894	5.5
97.02818	9.0
99.93103	2.1
105.06992	2.8
107.04893	4.3
108.05723	5.8
109.02825	8.9
109.06502	4.4
111.04410	14.9
113.05992	10.2
119.08566	5.6
121.06506	3.8
122.03627	19.4
123.08051	12.4
125.05989	17.6
131.43872	2.8
135.08051	4.7
136.05174	22.9
136.54745	2.4
137.05988	13.1
138.06760	32.0
139.07558	44.5
139.11023	2.2
148.05179	12.7
149.06003	4.1
151.07559	86.5
152.04684	8.5
152.08342	47.1
153.09074	10.6
159.11633	4.0
161.09642	9.0
163.00302	4.6
163.07556	18.4
167.07005	2.6
185.09602	7.2
188.08429	3.3
189.09108	9.0
190.99811	5.0
191.03526	2.9
201.12775	37.7
203.10707	33.4
204.11490	79.0
205.11815	5.6
207.02873	2.6
219.13863	100.0
220.14162	8.3
255.19804	2.6
262.98251	4.3
263.01929	6.5
263.12912	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	257.1757
Annotation	Tetradecanedioic acid
Peak:m/z	Relative Intensity
55.41269	0.5
57.03321	0.8
59.01234	0.9
63.04959	0.5
71.04986	1.4
71.05343	0.8
81.03342	0.6
82.52021	0.6
83.01212	0.6
83.04894	1.2
104.19413	0.5
115.91768	0.5
173.13332	0.9
193.16006	0.6
195.17476	52.9
196.17830	4.9
203.97412	0.7
213.16573	0.7
213.18486	1.3
239.16493	46.0
240.16890	3.1
257.17572	100.0
257.23642	2.4
258.17889	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	259.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03835	2.4
66.86118	1.2
69.03311	4.8
71.00388	3.7
76.60303	1.3
79.05401	31.7
80.02538	4.4
83.04901	4.7
85.79424	1.3
88.48444	1.4
91.05415	6.7
93.03355	11.6
95.04900	11.6
97.02765	1.6
97.06485	6.4
107.04913	82.7
108.02075	2.4
108.05238	2.7
109.02827	3.5
109.06474	32.7
110.06844	1.6
119.04952	2.0
121.02851	12.4
121.06489	2.2
121.10117	1.7
125.09605	3.3
131.04961	4.1
132.05669	1.9
133.02844	3.3
133.06493	2.7
135.04413	11.0
136.05212	30.6
139.11185	1.9
143.04958	2.1
144.05721	1.5
145.02872	2.5
147.04401	7.8
148.01416	1.5
148.05209	16.6
149.05925	1.6
149.09647	2.6
151.11142	3.4
153.12737	3.5
159.04390	2.4
161.06001	4.1
162.06790	3.5
163.11360	2.1
165.12752	8.6
169.06529	1.6
173.06020	7.0
174.06508	1.4
187.07646	2.5
189.12733	2.4
189.16418	6.4
204.11523	3.8
213.16608	2.0
215.14429	9.6
215.17947	6.0
216.14900	2.4
217.15952	2.1
226.13675	1.4
229.15979	5.5
231.17513	14.2
241.15973	16.3
243.13893	2.3
244.14619	1.5
253.24815	1.5
259.17023	100.0
260.17307	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	261.0074
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
71.55798	1.0
72.99180	18.7
73.75290	0.7
75.00745	4.1
79.95606	10.3
80.96379	1.7
81.03311	1.8
82.93832	0.9
85.24529	0.6
87.56757	0.7
93.03333	29.1
93.03923	1.7
94.03657	0.9
96.95879	3.7
107.04867	2.7
110.87811	0.8
119.04916	53.1
120.05241	2.1
128.03416	1.0
133.02815	1.0
134.03616	1.5
135.04419	31.8
136.04762	1.4
151.97562	0.7
161.02342	2.0
163.03917	37.9
164.04280	1.9
181.04990	86.7
182.05318	3.7
183.69611	0.8
199.00639	20.7
200.01013	0.9
215.00150	9.1
231.82228	1.0
261.00723	100.0
262.01114	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	253.0927
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
59.01254	100.0
60.99283	5.5
71.01249	43.9
71.56515	12.7
73.02836	13.2
76.57812	6.7
79.95610	23.8
80.96384	12.4
85.02833	13.8
89.02325	26.6
95.01254	7.3
96.95900	5.5
101.02322	27.2
101.74675	5.9
102.32870	6.3
113.02351	12.8
119.03362	6.9
122.97458	37.6
161.04474	9.9
164.98553	8.0
194.75299	6.9
253.03848	11.7
253.09358	17.6
262.90802	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	253.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78622	23.1
59.01251	100.0
69.09023	23.2
69.87252	55.5
69.87666	82.0
71.01274	55.9
75.17306	27.3
98.20478	33.3
101.02316	43.9
118.65236	27.3
122.97460	52.1
192.53601	25.9
249.99852	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	253.1444
Annotation	Aspergillide B
Peak:m/z	Relative Intensity
54.56245	0.4
57.03305	0.8
59.01254	100.0
60.01593	1.6
60.99162	0.6
65.00208	1.6
69.03328	2.4
71.01274	1.5
71.58347	1.0
76.71131	0.5
82.08680	0.4
83.04881	0.5
85.02824	0.8
87.00747	0.7
89.02336	1.3
93.03369	0.6
101.02348	1.2
103.52258	0.5
104.01968	0.4
107.08555	1.0
113.02386	0.6
115.54740	0.4
119.08540	0.6
121.02861	0.5
122.41339	0.4
129.66718	0.4
136.98695	2.7
144.27089	0.4
161.13274	1.0
163.11221	0.9
171.68343	0.5
193.12251	1.0
211.03880	0.5
235.13383	1.5
253.09038	0.8
253.14449	18.3
253.21680	1.2
254.14780	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	253.2171
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
59.01226	0.4
60.52829	0.4
83.86790	0.4
96.33623	0.4
98.07383	0.4
98.20544	1.2
148.33992	0.4
155.32256	0.4
162.87318	0.4
166.09586	0.4
167.72888	0.4
173.76642	0.4
253.21700	100.0
254.22063	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	256.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62978	3.9
59.01238	6.6
63.53830	5.0
65.00203	11.3
65.99728	8.2
71.01260	21.3
71.32483	8.3
72.96431	4.5
72.99187	20.8
73.51039	4.2
81.55849	3.9
87.00751	27.9
87.98526	4.3
90.84427	4.3
95.01268	17.0
97.02832	31.7
98.02335	4.6
99.00750	13.2
100.54408	4.4
100.98702	5.4
101.02301	6.1
101.82879	4.2
109.02806	5.4
110.02378	6.9
111.00784	19.8
115.00281	18.0
117.01803	6.5
118.02844	7.1
122.02437	6.7
123.00754	4.9
124.98710	15.3
125.02357	5.7
134.02383	15.8
135.00723	4.4
137.02390	4.4
138.01813	5.9
139.00293	14.6
140.03336	4.6
142.99757	16.9
150.01935	11.8
151.00311	7.0
152.03394	9.1
153.01851	87.6
153.24211	4.7
155.03487	6.2
157.01289	5.6
162.01874	9.8
167.03430	14.3
168.02969	9.2
171.02875	6.8
178.01404	9.4
180.02963	24.3
183.02974	16.8
187.16618	4.6
194.04527	20.8
200.95007	4.9
206.00934	5.6
212.56363	4.7
255.23268	74.9
256.04572	52.2
256.23627	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	247.1701
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
70.32052	0.1
90.47494	0.1
91.01780	0.2
94.49995	0.2
98.19777	0.4
100.49433	0.2
103.08943	0.1
122.37888	0.2
142.23026	0.2
147.00781	0.3
168.04741	0.2
175.03920	0.2
184.00168	0.3
190.53154	0.2
191.03439	0.5
202.99716	0.3
205.15906	0.4
207.13869	0.2
220.17000	0.7
231.13838	0.5
246.98889	0.7
247.02524	2.3
247.17004	100.0
248.02728	0.2
248.17342	11.0
248.51701	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1859
Annotation	roughanic acid
Peak:m/z	Relative Intensity
52.92766	0.6
59.01255	5.0
61.53908	0.6
65.61056	0.6
66.47258	0.6
95.01250	0.8
143.62231	0.7
148.98767	0.7
177.01868	0.9
205.15904	4.8
205.19519	1.8
220.14764	1.3
231.17503	2.2
249.07660	1.5
249.14967	8.0
249.18581	100.0
250.14499	25.9
250.18791	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	251.0924
Annotation	CHEBI:69186
Peak:m/z	Relative Intensity
55.01744	0.3
60.49559	0.3
61.29572	0.2
65.00196	0.4
67.01772	0.7
67.04088	0.2
67.31413	0.2
68.99683	0.4
69.03330	2.3
71.01249	0.6
72.99198	0.5
79.01768	0.5
81.03342	1.1
82.00471	0.3
83.01265	0.7
86.07224	0.2
87.00767	0.3
95.01256	0.7
97.02837	2.0
98.11983	0.3
98.19805	0.8
107.01279	0.5
109.99942	0.5
111.00757	3.7
113.02314	0.3
115.52722	0.2
123.00716	1.3
124.01536	3.7
125.02338	100.0
126.02668	3.9
127.00277	1.7
130.79376	0.3
136.98715	2.3
137.02339	0.4
138.03156	0.5
138.35600	0.3
139.00298	3.7
140.01059	7.5
141.01427	0.3
151.00276	0.5
152.47972	0.2
154.99731	0.6
156.26593	0.3
168.00572	1.9
169.01341	79.6
169.88005	0.3
170.01677	3.4
181.01381	2.1
182.01668	0.3
221.01024	0.3
251.09232	98.0
252.09581	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	251.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05765	1.3
56.99937	1.6
58.39814	1.4
59.90900	1.3
65.64936	1.5
71.01250	14.2
71.56353	2.2
72.00778	2.3
82.15340	1.8
92.04935	100.0
93.05270	3.9
94.02869	4.7
100.03938	18.0
110.06021	2.2
110.20896	1.6
136.03938	7.5
140.07063	8.9
165.66612	1.3
167.11971	1.6
167.66745	1.4
190.01755	1.7
205.90910	1.5
233.12889	33.9
234.13388	3.6
251.14075	11.5
252.14513	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	246.9883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02944	0.4
60.39870	0.4
63.02277	0.7
63.14543	0.4
65.00192	0.7
68.99698	0.6
71.01420	1.2
72.55557	0.4
75.02266	2.4
79.01750	0.8
91.01768	18.4
92.02129	0.6
93.03342	0.6
95.01263	1.3
101.34119	0.4
103.01746	0.6
119.01276	16.5
120.78719	0.5
121.02840	1.9
124.78142	0.4
131.01277	0.8
147.00787	38.3
148.01103	1.9
150.81165	0.4
165.01813	0.8
175.00290	16.9
176.00598	0.7
190.99805	1.3
202.99794	64.1
204.00128	4.0
218.99214	0.6
225.48630	0.4
246.98816	100.0
247.99144	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	246.9881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26158	0.3
55.72227	0.3
63.02274	0.8
65.00191	1.1
68.99689	0.4
71.58071	0.4
72.52280	0.3
75.01909	0.4
75.02268	2.4
79.01757	0.9
79.45643	0.4
84.04398	0.4
91.01768	17.4
92.02123	0.5
93.03326	1.0
95.01246	1.2
103.01807	0.5
108.34568	0.3
118.84283	0.4
119.01273	18.1
119.27994	0.4
120.01595	0.7
121.02826	2.4
123.21111	0.3
123.52573	0.3
131.01268	0.3
132.89885	0.3
133.02846	0.3
145.02800	0.4
147.00777	40.7
147.04398	1.0
148.01122	1.6
150.98550	0.3
152.05730	0.3
159.07771	0.3
163.03880	0.4
165.01797	1.4
175.00285	18.6
175.03752	0.6
176.00656	0.9
190.99814	2.2
191.03410	1.4
193.01378	0.6
202.99788	71.6
204.00130	4.7
218.99281	0.5
219.02917	0.6
246.98804	100.0
247.02356	4.6
247.17061	0.5
247.99109	7.3
248.02919	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48577	0.1
68.99676	0.1
70.05904	0.1
71.01229	0.2
71.57119	0.3
72.99184	0.2
75.44952	0.1
76.09564	0.1
89.03848	0.3
91.05411	0.2
93.03342	0.3
95.01238	0.2
95.39349	0.2
98.53585	0.1
99.00761	0.3
103.05405	0.3
104.96646	0.1
105.03344	0.5
106.04156	0.2
107.04914	0.7
114.93192	0.2
117.03333	0.6
119.04915	1.7
120.05257	0.2
121.02846	0.2
123.00808	0.2
123.40585	0.1
129.03374	0.2
131.04910	0.4
132.02025	0.2
133.02888	0.9
135.04434	1.5
145.01375	0.2
145.01575	0.3
145.02853	3.4
146.03587	0.3
147.00761	0.2
147.04431	3.9
149.02318	0.4
159.04405	0.6
161.02361	0.9
163.00256	0.3
163.03922	3.0
173.02364	3.7
174.03117	1.0
175.03931	2.7
176.01100	0.6
176.04347	0.2
177.01779	0.4
177.98851	0.2
189.01848	0.4
190.02652	3.8
191.03433	13.9
192.00580	0.2
192.03822	0.8
201.01880	0.6
202.02644	0.3
203.03419	1.3
204.00749	0.2
205.01360	0.5
217.01381	0.4
218.01909	0.8
219.02936	6.3
220.03114	0.6
229.01442	0.3
246.01715	0.4
247.02452	100.0
248.02821	8.3
248.05537	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
57.03305	1.0
59.01244	4.4
60.35226	1.1
65.99699	0.9
71.02538	0.9
71.04905	5.4
71.57738	1.6
73.02818	1.2
75.04742	0.8
75.06146	1.0
81.03361	0.9
83.04892	2.1
91.02747	0.9
97.02835	7.6
97.06477	2.7
98.08846	0.7
99.00755	25.5
109.06468	2.3
110.02372	1.3
110.03606	2.7
111.00755	2.3
123.08066	1.4
125.09621	7.8
127.11172	2.0
135.08057	1.0
136.05138	2.0
139.11217	0.9
142.02626	3.7
153.12775	1.2
155.10722	1.0
155.14334	2.1
163.11215	10.3
181.12276	34.0
182.12619	2.0
197.11726	1.2
199.13332	24.4
200.13676	1.7
201.11200	2.5
207.10207	61.1
208.10474	3.9
213.02655	0.7
225.11273	100.0
226.11578	7.9
243.02962	1.8
243.12350	76.7
243.15886	4.6
244.12697	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	245.0428
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
56.46571	1.1
58.31910	1.1
58.99463	1.7
59.01252	1.6
71.01250	2.0
71.55923	1.9
72.99181	2.0
78.95775	100.0
80.96359	2.1
87.00764	5.4
93.66650	1.2
94.97981	3.0
96.96821	8.2
100.15041	1.4
111.00854	1.3
121.02864	1.9
125.02361	3.6
139.03940	3.4
140.01709	2.6
152.99487	79.1
165.03839	1.9
171.00548	34.1
171.01871	2.1
201.03964	1.7
210.04111	2.2
219.05103	3.0
228.05049	2.2
245.04332	80.2
246.06291	13.2
246.51596	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.9883
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02279	0.8
65.00194	0.9
69.40927	1.8
69.41364	0.9
75.02273	2.3
79.01775	0.7
84.76835	0.3
88.88926	0.3
91.01772	18.0
92.02120	0.4
93.03352	0.8
95.01266	0.8
98.19752	0.3
101.03718	0.3
103.01775	0.6
119.01282	17.1
120.01647	0.8
120.94872	0.2
121.02869	1.9
131.01314	0.6
131.55408	0.3
137.02399	0.4
137.16699	0.3
147.00793	41.1
148.01151	2.1
165.01869	1.0
174.45242	0.3
175.00305	18.0
176.00575	1.5
188.47856	0.2
190.99797	1.5
202.99802	72.6
204.00154	4.9
218.99356	0.5
219.02911	0.3
246.98817	100.0
247.99153	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	241.1078
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
57.03315	0.9
59.01252	43.0
63.90654	0.6
69.03323	3.9
69.47381	6.0
72.99180	6.2
83.04905	1.2
107.08559	11.9
112.18118	0.6
119.08584	1.1
123.08047	2.0
124.43059	0.7
125.02375	1.1
133.06479	1.4
137.09648	0.9
151.07565	2.1
153.09088	1.8
163.07625	1.2
169.01375	0.9
169.08664	1.3
181.08598	9.5
197.11729	2.1
199.09689	100.0
200.10030	6.7
241.10928	3.3
241.14479	1.3
241.17947	0.8
241.21664	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	243.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03883	0.9
55.46643	0.9
57.03319	1.5
59.01254	71.2
60.01597	0.8
65.99712	1.1
69.03325	1.7
71.04888	1.1
72.99174	12.5
83.04900	1.4
85.06468	1.9
97.06478	1.2
107.08533	4.9
110.02352	0.9
111.00767	2.2
112.00537	0.9
121.10114	1.0
125.02319	0.9
125.09627	1.8
135.04379	2.4
137.09628	1.4
139.11159	6.0
155.10709	3.4
169.01294	1.4
177.62219	0.9
179.03525	1.2
183.10194	61.0
184.10521	4.1
197.15421	2.2
199.03964	1.1
201.11266	100.0
202.11659	6.6
207.10222	1.0
222.43196	0.9
225.11258	1.3
243.03018	4.6
243.12314	3.6
243.15974	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	239.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04095	0.2
54.09651	0.2
59.01257	1.5
59.96582	0.7
70.15008	0.2
70.62978	0.7
74.98947	11.5
75.96080	0.3
75.98889	0.3
87.00735	0.3
87.84781	0.2
91.02084	10.0
92.01991	0.4
93.00015	7.8
118.96490	0.2
123.00872	0.3
142.33151	0.2
149.00859	6.1
150.00854	0.4
150.98779	0.3
161.04459	0.4
179.05486	0.9
183.12567	0.2
201.02165	0.2
206.99609	2.8
223.02791	100.0
224.02820	11.3
225.00665	0.3
239.05952	0.5
239.20227	0.2
241.03880	2.5
242.03822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08056	8.4
59.01254	100.0
61.12870	9.1
63.39803	8.4
69.73125	15.5
69.73532	32.7
71.01263	10.5
87.00745	15.6
104.83633	9.4
115.12531	10.0
161.04483	13.5
173.43883	9.0
179.05579	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67350	1.3
57.03326	100.0
58.03658	2.3
59.01252	5.2
59.32788	1.0
67.14156	1.0
69.03323	5.1
71.04890	3.9
71.37422	2.4
81.03409	1.2
81.06980	2.0
95.04928	1.4
97.06444	1.6
107.04911	3.7
109.06490	20.2
110.06920	1.2
120.05694	1.8
123.08054	34.8
124.08408	1.5
125.09605	5.3
135.08018	7.6
151.11183	18.1
151.12286	1.8
161.73906	1.0
177.12775	2.7
179.05505	2.9
179.10716	4.5
195.13846	80.7
196.14162	7.0
239.12871	77.0
240.13223	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	240.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89375	4.3
59.01256	10.6
63.02398	4.0
65.99724	22.2
68.01299	21.3
68.99696	9.9
69.03308	7.9
69.60445	28.3
69.60846	8.0
71.01247	25.6
72.99181	11.8
73.02822	6.0
75.00771	6.8
79.01765	5.1
80.04948	5.4
81.03340	12.6
83.01260	16.9
87.00755	66.7
88.33057	5.7
92.39088	4.2
93.03355	6.3
94.02898	5.5
95.01267	21.1
96.00790	11.9
97.02835	7.7
98.02345	9.7
99.00779	9.7
102.91396	4.5
109.02849	20.2
110.02400	11.0
111.00764	57.7
112.04014	4.3
118.02861	12.5
120.00803	6.0
120.06915	4.4
121.01633	6.2
121.02915	3.9
122.02344	7.9
123.00755	38.8
124.03988	5.0
125.02348	63.3
125.99434	4.4
127.00287	27.8
134.02391	18.1
135.00739	5.5
136.00337	8.0
136.03934	16.6
137.02341	46.8
138.01886	7.3
139.00273	18.3
140.01028	9.9
141.01790	11.8
146.02351	8.9
150.01848	8.9
151.00273	5.4
151.03865	11.8
152.03455	100.0
153.01854	28.3
155.03406	20.3
155.92625	4.3
162.01967	8.5
163.00348	5.8
164.03447	26.1
166.01389	8.0
166.99754	11.6
167.03413	16.7
168.00591	9.6
169.01321	42.6
180.02968	42.5
181.01471	7.4
182.02100	25.2
183.02892	30.9
195.02988	9.5
197.04543	17.0
208.02565	36.7
222.04126	9.2
228.00986	5.4
240.02846	8.0
240.05093	62.9
240.52960	5.8
241.03432	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	237.0613
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
57.03323	2.8
59.01259	8.7
65.99763	0.9
66.41621	1.0
69.03319	1.0
69.80238	4.3
69.80648	2.3
71.01265	8.9
72.19760	0.8
72.99174	4.3
73.02788	1.4
75.00749	20.2
76.59870	0.8
78.95784	12.8
80.96413	1.5
83.01262	1.5
85.02832	7.3
87.00755	100.0
88.01111	2.7
89.02350	2.4
93.03365	1.5
93.49962	0.8
96.96918	1.0
97.02837	1.6
99.00764	2.1
101.02336	3.9
107.04961	1.0
111.00794	1.7
113.02334	2.0
115.00242	1.1
119.03443	1.3
119.04852	1.1
121.02826	1.4
121.27995	1.0
129.01840	13.3
131.03394	2.2
133.01341	1.1
137.02408	0.9
139.00298	1.6
147.04456	1.2
148.13771	0.9
165.01788	1.3
165.05550	1.2
175.03951	2.8
186.07463	1.1
192.01363	1.0
193.01414	5.4
193.05035	3.2
199.07100	0.9
218.86710	1.5
219.01329	2.1
219.03200	1.4
219.05029	1.4
237.00394	2.3
237.04158	1.0
237.06134	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	237.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.8
59.01259	8.7
65.99763	0.9
66.41621	1.0
69.03319	1.0
69.80238	4.3
69.80648	2.3
71.01265	8.9
72.19760	0.8
72.99174	4.3
73.02788	1.4
75.00749	20.2
76.59870	0.8
78.95784	12.8
80.96413	1.5
83.01262	1.5
85.02832	7.3
87.00755	100.0
88.01111	2.7
89.02350	2.4
93.03365	1.5
93.49962	0.8
96.96918	1.0
97.02837	1.6
99.00764	2.1
101.02336	3.9
107.04961	1.0
111.00794	1.7
113.02334	2.0
115.00242	1.1
119.03443	1.3
119.04852	1.1
121.02826	1.4
121.27995	1.0
129.01840	13.3
131.03394	2.2
133.01341	1.1
137.02408	0.9
139.00298	1.6
147.04456	1.2
148.13771	0.9
165.01788	1.3
165.05550	1.2
175.03951	2.8
186.07463	1.1
192.01363	1.0
193.01414	5.4
193.05035	3.2
199.07100	0.9
218.86710	1.5
219.01329	2.1
219.03200	1.4
219.05029	1.4
237.00394	2.3
237.04158	1.0
237.06134	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	237.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	12.3
57.03315	10.1
58.00463	6.3
59.01254	96.3
60.03843	2.0
67.46132	2.3
70.24388	5.1
70.24782	6.2
71.01257	100.0
72.01603	2.4
72.99180	7.8
73.02821	36.2
75.00736	10.4
83.01268	20.3
84.77767	2.3
85.02832	51.9
87.00756	10.5
89.02315	20.7
95.01258	6.9
97.02781	2.5
99.00735	15.4
101.02325	79.7
113.02319	30.0
129.01788	3.2
133.03955	2.4
159.02953	4.2
161.04488	21.6
201.34737	2.4
237.06056	3.7
237.09773	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	233.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84300	1.1
59.01252	10.5
70.53793	2.4
70.54194	2.1
71.01237	2.7
78.02919	1.1
92.04937	6.0
93.03326	4.1
111.71806	1.3
173.04408	3.5
200.07710	1.2
217.89722	1.1
233.06540	2.2
233.15425	100.0
234.15689	7.4
250.15955	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	2.3
59.53834	0.2
59.96592	0.8
60.97383	0.5
63.98608	0.2
71.33734	0.4
71.34081	0.2
73.69556	0.3
74.98946	7.0
74.99344	0.5
75.00757	0.6
75.96097	0.4
91.02058	1.3
93.00018	5.2
93.03345	0.8
101.88900	0.3
118.96162	0.8
134.99292	9.3
135.99287	0.4
136.97232	3.7
137.97243	0.4
139.32626	0.3
141.07217	0.3
149.00868	77.9
150.00842	4.8
150.98788	1.4
152.96761	0.4
159.08365	2.8
161.06316	5.3
161.07599	0.5
162.06374	0.5
173.04495	0.3
201.04065	0.6
215.05562	1.6
217.07167	100.0
218.07281	11.4
233.10307	80.3
233.15323	11.5
234.10455	9.3
234.15778	1.2
235.08237	0.8
254.71100	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41161	0.3
59.01244	0.7
81.02667	0.2
104.50223	0.2
111.04401	0.3
134.03647	0.9
135.04408	0.4
136.05222	0.6
148.05200	11.9
148.06389	0.6
149.05727	0.8
149.09605	1.9
162.06757	0.8
175.07561	0.6
176.08318	1.4
177.09128	54.4
178.09459	4.1
190.09901	2.1
191.10698	1.4
192.11487	39.6
193.11867	2.9
201.09157	0.8
203.07133	0.9
217.08632	3.9
218.09421	10.6
219.09790	0.8
236.10506	100.0
237.10863	10.2
237.14650	0.3
237.51263	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	14.4
66.60773	1.5
70.91394	4.5
71.01250	7.0
72.99167	2.5
83.04900	1.7
85.02832	2.9
87.00757	2.6
92.04935	12.2
93.03330	8.2
104.03403	5.9
108.02049	5.1
109.02847	4.2
111.00826	1.9
115.91958	1.6
129.05504	1.9
138.37715	1.6
139.48927	1.5
147.06529	3.7
152.01047	3.2
153.01888	2.2
161.02373	4.9
161.05981	2.0
173.04468	6.5
173.08156	3.8
177.01810	1.7
189.01913	2.3
191.09140	1.7
206.45171	1.8
233.00977	7.2
233.04556	2.5
233.06490	8.1
233.15422	100.0
234.09836	4.2
234.15718	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	230.0666
Annotation	N-Succinyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
57.31071	0.8
59.01258	3.7
65.03847	1.2
67.01777	1.4
68.01300	1.1
69.03321	3.8
71.01257	5.6
71.55884	0.7
71.56300	1.6
72.99187	5.6
73.02821	2.6
73.19207	0.7
75.00753	1.2
80.15196	0.8
80.86723	0.8
81.03339	4.2
83.01278	2.0
84.07977	0.9
85.02837	3.3
87.00755	21.2
95.01255	1.1
96.00784	1.7
96.51858	0.8
97.02846	2.1
98.02367	1.1
99.00757	1.5
99.04387	1.8
108.02091	1.0
108.04346	1.6
109.02837	19.3
110.02335	0.9
111.00737	1.4
112.00311	1.5
113.02313	2.2
115.00276	3.4
121.02853	2.3
122.02262	0.9
123.04401	2.4
124.03925	3.5
125.02351	7.5
126.01875	1.5
127.03905	13.2
132.04486	7.5
132.98067	1.5
139.03914	2.3
141.01877	1.3
148.03922	1.6
149.02309	1.6
150.05513	5.5
153.01854	4.8
154.12363	1.0
171.02914	28.7
172.03192	1.3
176.03435	14.8
182.95735	0.9
188.97102	6.9
189.03955	6.8
194.04527	11.6
210.62068	0.9
212.05637	3.1
230.06673	100.0
231.07021	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	231.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59672	0.8
57.03325	1.8
59.66909	0.8
66.07359	0.9
69.94249	0.8
85.02829	38.4
86.03172	1.4
94.07321	0.9
100.04469	0.8
101.01821	0.8
101.02327	35.9
101.05968	69.2
102.02667	0.8
102.06275	2.4
104.89619	0.9
116.87663	0.8
129.01840	100.0
130.02193	2.0
147.02869	1.9
151.83836	1.2
159.04393	1.6
231.03017	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	228.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61055	3.0
55.39629	2.6
59.01252	3.6
60.59542	3.0
65.99728	17.1
66.03330	2.9
66.46014	2.5
67.01737	2.9
68.01302	3.1
69.03322	8.5
69.54363	16.6
69.54790	9.0
71.01259	21.8
72.30766	2.4
72.99184	5.3
73.02810	6.8
75.00731	3.1
78.95779	4.3
81.03317	8.7
82.02875	5.1
83.01268	3.9
84.20834	2.7
85.02818	6.1
87.00764	25.5
89.28481	2.5
93.03355	4.4
94.02853	10.0
95.01244	4.3
96.00774	5.4
96.96825	3.4
97.02832	13.0
99.00767	5.5
99.04420	3.4
108.02060	5.1
109.02830	7.8
110.02354	4.7
111.00752	9.5
111.04435	3.7
111.74860	3.0
113.02324	7.8
115.00244	6.3
121.02843	19.4
125.02342	100.0
126.02690	6.4
127.00241	3.0
139.00252	3.7
139.03932	16.7
140.03394	5.5
143.03322	2.9
148.03943	15.4
152.00986	3.1
153.01772	3.2
164.03430	8.6
165.01833	5.0
166.05003	20.8
167.03392	4.1
169.01314	16.6
176.21353	3.1
186.97241	3.5
192.03006	15.1
210.04028	40.0
211.04288	5.2
228.05127	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	227.1283
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
59.52350	0.4
66.14182	0.5
67.01772	0.6
69.32453	1.7
69.32875	2.7
71.04899	0.7
71.97421	0.4
75.00751	2.9
80.02554	1.4
81.03340	2.3
83.01271	0.7
83.04903	7.0
84.02055	3.0
89.19706	0.4
95.04909	1.3
97.06483	0.5
97.48053	0.4
101.42741	0.5
106.04147	0.6
109.06494	0.7
111.08076	0.5
125.05947	0.8
127.11137	0.6
133.83205	0.5
135.08058	1.1
137.17511	0.5
153.17195	0.5
163.11200	6.1
165.12794	3.2
181.12170	1.1
183.13896	0.9
191.10675	1.9
208.23257	0.4
209.11780	100.0
210.12112	8.4
221.40948	0.5
227.03532	0.5
227.07152	1.1
227.12793	3.0
227.20090	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	225.1855
Annotation	Myristoleic acid
Peak:m/z	Relative Intensity
53.20891	1.9
59.01255	2.1
65.00194	31.4
66.00542	2.1
75.53233	1.9
92.99663	2.1
93.03362	3.6
98.19762	5.7
136.98717	35.8
137.99002	3.3
180.97678	3.2
199.52232	1.9
207.10159	2.3
208.97498	4.7
224.96696	2.8
225.00610	5.0
225.11290	4.8
225.18561	100.0
226.18927	14.4
243.01793	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	227.1285
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
64.92235	0.5
67.01748	0.5
69.17271	0.5
71.57856	0.6
84.91183	0.5
85.29987	0.5
111.08047	1.2
114.51904	0.5
117.06145	0.6
119.65076	0.5
165.12778	18.0
166.13123	1.3
181.12314	0.7
183.13837	100.0
184.14166	7.7
209.11729	4.8
210.12140	0.7
227.10750	1.1
227.12849	13.6
227.16368	0.9
227.20102	3.3
238.74857	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1336
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
51.06600	0.3
55.65397	0.3
57.03307	0.6
57.03677	0.3
59.01251	100.0
60.01588	1.5
60.99143	0.3
64.18297	0.3
71.04894	0.7
71.15625	0.3
71.15952	0.6
74.98950	0.6
82.57581	0.3
83.04876	0.3
87.00751	0.7
93.00046	0.4
107.01235	0.2
109.02834	0.6
112.16195	0.3
118.19263	0.3
118.24041	0.3
122.45712	0.3
123.00761	0.4
123.04388	0.3
125.45446	0.3
135.11705	0.3
142.83702	0.2
149.00925	0.7
149.02380	0.4
161.13235	1.3
163.11223	0.5
164.04839	0.3
165.01830	0.4
193.01331	1.2
194.37312	0.3
196.06146	0.4
208.03648	0.8
222.98816	0.3
223.02756	4.3
223.06018	0.5
223.09947	0.4
223.13338	9.1
224.03091	0.4
224.13651	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1698
Annotation	beta-Isocyclolavandulyl isobutyrate
Peak:m/z	Relative Intensity
55.93384	5.5
57.02825	5.7
59.01258	14.8
69.41006	47.1
71.13553	5.7
74.98915	8.3
81.97970	5.5
82.07482	5.7
84.48986	6.0
89.00226	7.3
93.00044	9.1
98.22071	7.0
123.00821	7.4
123.72526	6.4
149.00865	13.6
150.98920	6.0
151.00310	15.3
151.03902	11.0
165.01816	8.6
176.98257	10.3
178.99774	19.3
193.01404	16.9
206.99547	8.6
208.03697	23.9
222.98895	11.3
223.02754	79.2
223.06104	15.4
223.13481	29.5
223.17007	100.0
224.02933	15.1
224.17329	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	225.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	6.7
65.00200	4.4
69.33318	0.4
71.01257	1.0
71.33518	0.7
83.04886	0.3
93.03368	0.5
94.98627	0.4
136.98740	4.6
137.50882	0.4
207.17462	1.4
208.97548	0.9
224.96631	0.6
225.00658	0.9
225.18558	100.0
226.18886	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	223.1336
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.78906	0.8
57.03311	2.7
59.01257	8.5
59.42131	0.8
62.68082	0.6
65.00194	1.2
68.35776	0.6
69.03329	10.1
69.29448	0.6
69.36248	3.6
69.36684	2.7
71.01256	1.1
71.04877	2.0
74.98943	2.3
79.01768	0.9
83.04896	1.5
85.02856	0.8
85.06450	1.6
93.00031	4.8
93.03324	1.0
95.04885	1.9
97.06470	0.7
101.02282	0.8
107.01278	1.4
107.04903	0.8
108.05689	1.2
109.06485	2.6
111.08075	0.9
114.82397	0.7
123.00746	1.5
125.03678	0.7
125.09627	1.7
135.00775	1.0
135.11713	0.9
141.09113	1.6
149.00835	2.3
149.02017	0.7
149.09653	1.9
149.13300	0.7
151.00252	1.7
151.03905	2.1
161.13290	1.5
165.01831	1.2
166.06276	5.4
167.10669	11.4
168.11003	1.1
177.12775	2.0
178.99779	1.5
179.10719	4.5
179.14328	12.1
180.14632	1.3
187.11217	0.9
193.01372	3.0
195.13844	33.2
196.14172	2.9
205.12280	22.6
206.12616	2.0
206.99678	1.2
208.03827	3.7
223.02765	24.1
223.13348	100.0
223.16917	2.5
224.02798	4.1
224.13701	10.8
229.15875	0.6
241.03909	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	222.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49446	1.1
59.01286	1.3
65.00196	2.3
65.99722	7.1
67.01764	1.7
69.03337	2.2
69.71137	6.8
71.97400	1.3
79.01786	3.0
79.27042	1.2
81.03335	3.7
93.03326	1.6
95.01273	4.2
97.02852	1.9
98.20528	1.9
107.01295	1.4
108.02065	2.1
109.02854	4.1
111.04395	3.6
114.59829	1.2
118.02886	12.7
123.00770	31.5
123.04382	2.4
124.01154	1.4
125.02328	4.8
134.02383	2.3
135.00809	2.9
136.01532	5.3
138.03047	1.4
139.00273	4.6
141.01849	6.5
146.02377	4.6
151.00322	1.4
151.03905	23.2
152.01050	3.6
152.04352	1.3
155.03369	2.5
162.01891	1.5
163.00275	4.8
164.00909	1.5
166.99768	26.4
167.03410	22.3
168.00119	1.9
168.03842	1.9
169.01343	4.4
178.05026	1.7
179.03374	1.6
180.02812	2.0
182.02126	100.0
183.02457	7.0
186.44414	1.2
190.01350	7.6
193.01373	2.1
195.01169	2.6
195.02927	45.7
195.04703	2.6
196.03188	2.8
204.02904	3.2
208.00151	1.9
208.03696	3.3
209.80164	1.5
222.03993	26.4
222.15433	1.4
223.02643	6.7
223.04510	1.9
223.06207	1.4
223.09663	2.3
223.13484	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	223.0279
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
51.21437	0.1
55.02578	0.2
59.01228	0.2
59.96585	1.0
70.44257	0.3
73.01014	0.3
74.98946	16.0
75.96088	0.9
75.98910	0.4
76.96863	0.1
85.44258	0.1
87.56447	0.1
93.00012	13.8
93.99975	0.5
96.95911	0.3
101.02278	0.2
108.02041	0.2
123.00733	0.2
135.00607	0.2
141.79999	0.1
149.00867	15.3
150.00792	0.7
150.98785	0.7
152.96725	0.2
193.01364	0.3
206.99643	5.8
207.99689	0.6
208.03760	0.3
223.02791	100.0
223.13350	0.8
223.16927	0.5
224.02835	12.9
225.00790	0.5
241.03845	3.1
242.03850	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0662
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
50.57057	1.5
57.03319	5.0
59.01254	70.5
60.09223	1.7
60.76212	1.5
65.99649	1.6
69.03334	3.6
69.43979	5.3
69.44396	9.4
71.01266	14.6
71.04887	5.1
72.99175	9.0
73.02819	11.6
74.35715	1.7
74.98964	3.1
75.00753	14.2
79.05404	4.5
79.58546	1.6
79.95583	1.6
80.96387	7.4
81.03325	10.4
83.01234	1.9
83.04904	5.9
85.02821	25.3
87.00760	21.6
87.04403	2.7
89.02318	7.3
93.03339	9.4
95.01257	2.6
95.04903	2.9
97.02821	5.7
98.20529	2.6
99.00759	2.8
99.04387	13.6
101.02330	5.6
102.68061	1.8
105.06967	2.5
108.02034	3.6
109.02823	11.6
111.04414	8.3
113.02320	5.5
115.03925	9.2
115.05362	2.4
121.02837	4.8
121.06474	3.2
123.04394	15.1
125.02345	2.1
127.03906	23.2
129.01878	3.4
131.03374	5.9
131.04897	6.2
133.06445	3.7
134.03629	3.9
141.01897	2.3
143.03375	4.7
149.05984	41.1
150.06332	2.3
155.03448	3.8
159.04411	14.6
161.04453	8.7
162.03151	12.8
173.04414	6.2
177.01863	3.5
177.05492	95.4
178.05853	9.2
179.03642	2.1
179.05606	2.7
190.99763	2.7
191.05539	8.2
203.05527	6.1
203.41133	1.8
206.02168	4.2
221.01007	3.6
221.04485	68.3
221.06615	100.0
221.15062	2.7
222.04745	5.7
222.06845	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	221.1542
Annotation	Kobusone
Peak:m/z	Relative Intensity
57.03937	0.1
59.01247	0.4
64.49335	0.1
68.79678	0.1
70.31770	0.4
70.32129	0.2
75.01195	0.1
89.92500	0.1
90.16969	0.1
92.99293	0.1
100.47653	0.1
101.05984	0.2
105.43215	0.1
111.69038	0.1
117.56925	0.1
126.35565	0.1
127.07568	0.8
148.05200	0.5
149.06017	0.7
151.07578	0.4
163.00256	0.2
164.08336	2.5
165.09000	0.3
190.99808	0.6
205.12285	2.0
206.02141	0.8
206.12679	1.3
207.13846	1.4
220.14645	4.4
221.15411	100.0
222.15759	10.3
235.13374	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1129
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
57.03320	0.7
57.27462	0.3
66.36533	0.3
68.40969	0.3
69.03325	0.4
69.35360	2.5
79.65797	0.3
81.38885	0.3
83.31338	0.3
87.00791	0.3
95.04906	0.4
97.06465	0.9
128.56303	0.3
136.25479	0.3
151.11203	12.0
152.11514	0.7
169.12260	100.0
170.12599	7.8
190.74704	0.3
192.01155	0.3
195.10252	0.8
198.39952	0.3
213.09225	0.5
213.11273	10.8
213.14734	0.8
213.18530	0.9
214.11581	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43842	1.2
55.01736	2.1
59.01233	4.0
65.00175	3.0
65.59077	1.2
67.01731	2.1
68.99668	6.4
70.91760	1.3
70.92089	3.4
71.01258	10.9
72.99164	3.5
75.00735	1.7
80.99697	1.7
83.01260	7.4
87.00751	100.0
95.01242	4.0
96.99147	1.5
99.00742	5.1
111.00771	22.3
112.98675	4.3
125.02282	4.8
125.99406	2.0
127.00261	13.2
129.01779	1.8
130.04022	1.4
135.04396	1.6
136.98656	5.9
139.00269	13.1
141.01839	1.4
143.03358	2.2
144.00822	11.4
145.01239	1.6
153.01833	1.4
154.99771	17.0
156.00281	1.5
157.01326	2.4
164.98109	3.9
167.93259	1.3
169.01389	7.9
171.01871	2.5
173.08035	2.5
187.02365	1.9
197.00873	11.3
215.00876	81.6
215.07080	1.6
215.12683	2.0
216.01137	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	221.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02283	0.5
54.16822	0.3
59.01244	0.6
65.00202	0.4
67.01745	0.3
69.03316	1.3
71.01242	0.4
75.00745	2.0
79.01721	0.6
79.35275	0.3
79.52469	0.3
81.03320	0.5
91.01742	0.6
95.45118	0.3
95.60619	0.3
97.02804	0.6
98.20646	0.6
104.54382	0.3
107.00629	0.4
107.01275	4.9
119.01298	2.4
125.02344	0.7
129.10733	0.3
133.80844	0.3
135.00780	12.3
136.01129	0.5
147.00810	1.0
149.02351	0.5
149.99454	0.8
150.03116	0.8
162.03093	0.6
163.00282	28.4
164.00594	2.0
165.01837	0.4
175.00246	0.3
177.01888	0.9
177.98940	0.9
178.02666	0.8
178.41699	0.3
190.99792	99.8
192.00131	6.5
193.01396	0.4
205.01317	0.9
206.02147	100.0
207.02483	8.1
221.04515	21.0
221.11749	0.5
221.15024	0.9
222.04849	2.0
231.79620	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.4
57.03318	0.4
59.01262	0.8
64.86210	0.4
65.00202	1.7
71.01234	0.4
80.02554	3.1
81.03328	2.7
83.04903	11.4
83.05378	0.8
92.99706	4.6
93.03349	1.0
95.01290	0.6
95.04905	1.6
97.06505	0.5
97.90343	0.4
109.02862	0.9
109.06508	0.6
121.02847	22.7
122.03195	1.2
123.04404	0.4
124.03945	0.8
125.05972	1.1
135.04436	0.6
135.08044	1.7
136.98705	2.0
137.02333	1.5
137.06044	0.6
137.09608	0.6
147.08138	0.4
151.03816	0.5
156.05551	0.4
161.02393	0.8
163.11206	9.6
164.11519	0.5
164.98215	4.0
165.01840	1.0
165.12762	5.4
166.05098	0.7
166.13165	0.5
176.04701	0.6
179.03488	2.0
181.12270	1.3
191.10678	2.3
194.02083	0.8
194.05807	1.7
209.00844	0.9
209.04515	2.8
209.11780	100.0
210.07851	0.6
210.12112	9.8
221.70180	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1335
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
51.27784	0.5
55.10454	0.4
59.01249	0.9
66.03622	0.4
67.01765	0.6
69.03303	0.7
70.32158	1.6
83.04890	0.7
95.01257	1.0
123.00735	0.7
137.09541	0.5
139.00290	0.5
155.10706	0.6
165.01884	0.4
165.12706	0.6
166.99796	0.7
167.10703	1.8
167.14297	1.9
183.13831	17.1
184.14160	1.6
192.97748	0.6
193.12265	4.6
194.12479	0.5
211.13341	100.0
212.13666	9.3
215.90436	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23407	0.9
65.00192	3.2
69.03307	1.0
70.86625	2.3
80.02537	2.7
81.03344	2.5
83.04897	10.2
92.99704	8.7
93.03329	1.7
95.01255	1.5
95.04903	2.1
97.06421	0.9
109.02785	0.8
121.02851	29.8
122.03180	2.5
122.27621	0.7
124.03946	0.9
125.05968	1.4
135.04427	0.9
135.08063	1.6
136.98674	3.6
137.02339	1.5
161.02292	1.2
163.11208	8.2
164.98218	6.8
165.12788	4.0
178.99884	0.8
179.03427	1.8
181.12224	1.0
191.10699	1.9
194.02158	0.8
194.05791	1.4
209.00816	1.2
209.04532	3.7
209.11777	100.0
210.12079	9.2
225.10553	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.8
65.00188	1.7
70.17011	1.1
70.17422	0.9
71.01226	0.4
75.12820	0.4
76.22878	0.4
80.02543	3.2
81.03329	2.7
83.04898	10.9
90.22606	0.4
91.01740	0.5
92.99702	4.9
93.03328	1.0
95.01269	1.1
95.04908	1.2
95.10989	0.4
108.02078	0.4
109.06489	0.7
116.82118	0.4
119.45648	0.4
121.02847	15.3
122.03167	0.9
124.03934	1.2
125.05960	1.3
135.08043	1.3
136.98682	2.4
137.05925	0.4
147.11743	0.5
161.02420	0.5
163.11197	9.0
164.11505	0.6
164.98174	3.9
165.01912	0.7
165.12761	5.1
179.03430	0.8
181.12241	1.5
191.10715	2.0
194.02206	0.6
194.05818	1.0
208.97243	0.6
209.04546	1.8
209.11769	100.0
210.12115	8.8
218.43506	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0814
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
69.64526	3.8
69.64930	1.8
71.01265	1.1
80.06068	0.9
81.03336	1.2
83.04892	2.8
93.03333	2.7
95.04884	1.9
97.06490	0.8
105.03350	10.0
105.04024	1.2
107.04977	1.2
109.02836	1.5
121.02852	44.5
122.03178	1.6
123.00771	1.3
124.03936	1.1
133.02824	6.5
136.01611	1.2
137.02411	2.1
149.99548	1.8
150.03152	2.9
151.03925	28.2
152.04366	1.2
161.02359	63.9
162.02698	4.0
165.05412	1.2
166.02652	1.3
167.03419	1.1
169.34761	0.8
176.04724	31.6
177.05057	1.8
179.03429	100.0
180.03772	6.0
183.74377	1.1
188.31972	1.0
191.07059	9.2
194.02182	5.2
194.05786	80.1
195.06181	4.3
209.00870	3.0
209.04640	5.0
209.08147	20.5
209.11681	1.4
210.08446	1.4
217.53723	0.9
218.69879	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0658
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
57.03342	0.4
59.01271	1.0
61.65137	0.3
65.00214	0.5
69.76747	1.9
81.03409	0.4
81.61517	0.3
91.01822	1.0
92.99760	0.3
93.02155	0.3
93.03359	0.6
95.04903	0.9
105.03343	5.5
105.03996	0.4
107.01289	0.8
108.02093	0.3
109.06467	1.8
119.01332	0.4
121.02878	0.9
123.04437	1.4
133.02853	37.4
134.03183	2.3
135.00807	1.0
135.04463	0.4
135.08105	0.4
136.01625	0.5
137.09695	0.3
141.60994	0.3
147.04430	0.3
148.01494	0.3
148.13924	0.3
149.02339	4.1
151.00253	0.5
163.00304	1.5
163.03902	0.5
163.07626	0.3
163.11255	0.8
164.01028	0.5
164.04677	2.6
177.01848	18.9
177.09079	0.7
178.02199	1.2
178.99721	0.7
179.03510	0.4
192.00677	2.6
192.04210	100.0
193.04546	6.8
206.99295	0.9
207.02945	1.9
207.06555	15.5
207.08479	0.9
207.09973	0.8
207.13855	8.0
208.06876	1.5
208.14090	0.6
224.10458	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0818
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
58.02853	39.5
59.03189	0.6
69.60294	3.0
70.02857	15.1
71.67347	0.4
72.00782	7.8
84.30822	0.3
89.21577	0.4
90.31134	0.4
91.05413	8.5
92.05745	0.4
93.65023	0.4
104.08444	0.4
135.04442	2.0
147.04428	40.6
148.04776	2.6
153.68298	0.4
162.09172	1.1
163.00322	0.7
164.07091	100.0
165.07451	6.9
169.75601	0.4
177.01857	1.3
190.99751	0.8
192.00603	4.8
192.04204	1.6
194.04390	0.4
206.08185	27.7
207.02975	1.6
207.06764	0.6
207.08528	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	207.0503
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
53.48327	3.2
57.03312	5.1
59.01251	14.4
66.53178	3.2
68.99694	2.9
69.40238	29.3
71.01261	10.1
72.99194	8.8
73.02818	8.6
77.97662	4.1
79.95623	4.9
80.96399	3.2
85.02823	14.7
87.00765	20.4
89.16736	3.0
92.72292	3.5
98.20528	4.5
99.00719	5.5
99.81640	3.2
101.02317	16.3
109.02849	3.8
111.00776	5.5
112.88842	3.1
118.97976	9.9
127.03823	3.3
129.01843	8.9
130.99794	5.3
131.03427	3.3
132.00099	6.6
143.03386	6.8
146.01669	4.0
146.79808	2.8
161.04414	3.9
163.03941	3.8
177.01868	8.4
189.03955	5.4
192.04201	7.1
207.03046	7.3
207.05019	100.0
208.05223	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	206.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33155	0.4
58.02851	38.1
59.03186	0.7
61.02783	0.5
62.49318	0.4
65.99702	0.6
69.52817	2.5
69.53239	1.0
70.02853	13.1
72.00789	5.7
84.52299	0.4
91.05412	7.5
92.05740	0.5
114.98840	0.4
119.04939	0.6
135.04420	1.4
147.04425	39.6
148.04744	2.9
162.09209	1.2
163.00267	0.9
164.07089	100.0
165.07455	6.4
177.01933	1.6
179.25540	0.5
190.99754	0.9
192.00565	4.5
192.04254	1.3
206.08176	25.7
207.02979	1.6
207.08475	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	205.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12304	3.8
53.11528	4.4
54.59459	3.7
55.01748	8.6
56.66437	4.2
58.00462	5.1
59.01253	76.3
66.43959	3.8
68.99685	23.1
71.01252	100.0
71.04890	5.8
72.01582	6.1
72.99178	67.5
73.02805	9.6
75.00743	50.3
81.03333	8.7
83.01250	20.4
85.02824	7.0
87.00750	77.0
89.02352	4.8
91.01807	4.8
96.99191	11.7
98.19765	10.3
99.00755	38.8
99.04432	4.6
101.02318	11.1
103.00243	9.4
111.00756	17.8
112.98677	13.4
115.00259	93.0
117.01822	11.5
124.98689	16.7
125.02334	50.0
127.00282	13.4
129.01802	18.0
129.96243	4.2
130.99806	27.2
133.02876	6.5
142.99754	17.5
145.01344	35.2
148.87384	4.0
154.99773	15.2
157.01360	11.9
161.02347	7.7
161.05896	4.3
173.00800	7.0
175.02376	8.1
177.01913	8.7
178.15738	3.9
184.93257	4.0
187.02480	4.6
187.03986	5.5
187.92751	3.8
188.34212	5.1
190.99829	5.0
194.31325	4.0
205.01369	6.6
205.03288	5.3
205.05124	8.2
205.15929	34.8
206.16249	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0347
Annotation	(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
55.01744	4.1
57.03322	1.9
58.00455	1.8
58.02832	1.7
58.42980	1.5
59.01253	37.7
64.31305	1.3
66.91948	1.4
67.01742	3.0
68.99679	4.3
70.43664	2.8
70.44044	3.2
71.01256	28.9
71.04895	15.5
72.99185	19.3
73.02807	7.6
75.00752	17.6
81.03318	8.2
83.01266	4.4
85.02824	3.6
87.00754	36.2
89.02328	2.1
96.99196	2.1
99.00760	13.0
99.04398	23.2
101.02322	25.9
101.40863	1.4
102.02647	1.9
103.00238	1.9
111.00767	14.3
112.98657	3.3
114.99478	1.9
115.00256	26.0
115.03882	9.7
117.01802	5.6
118.03230	1.5
124.98697	4.6
125.02336	100.0
126.02657	4.4
127.00246	5.6
129.01825	4.4
129.60046	1.5
130.99791	7.0
142.99736	5.0
143.03444	8.5
145.01323	28.6
145.04945	4.1
154.99747	5.0
157.01314	1.7
169.15971	1.3
175.02339	2.2
187.02461	8.2
187.03831	1.6
205.03409	16.8
205.05002	2.8
205.06848	2.5
206.04175	2.5
223.02350	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	203.1283
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
56.48077	0.3
57.03306	0.5
58.36854	0.3
65.01335	0.4
65.99743	0.5
71.57710	0.3
72.99193	0.4
77.53985	0.3
81.04539	0.2
82.03980	0.3
99.08042	0.8
125.09631	1.2
127.11182	19.1
128.11543	0.7
133.17245	0.3
134.03581	0.5
137.09630	0.8
139.11198	1.0
155.10695	10.8
156.11028	0.7
157.12259	62.0
158.12592	3.9
176.04514	0.4
185.11786	1.0
201.11259	0.8
203.12839	100.0
204.10249	0.4
204.13182	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	203.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95131	1.2
57.03308	2.2
58.02840	3.9
59.01245	4.6
60.99168	3.3
61.19337	1.2
67.01759	1.9
69.03330	80.9
70.03648	2.9
70.98026	2.5
70.98369	1.8
71.01254	57.0
72.01596	1.2
72.99175	9.6
75.00742	5.0
75.62070	1.1
79.01755	4.5
83.01277	2.8
85.02822	11.1
87.00743	14.3
95.01257	10.5
97.02831	100.0
98.03166	3.6
99.00761	2.6
100.03957	2.8
101.02291	1.3
105.01827	1.8
105.39433	1.1
111.00742	3.5
112.98731	1.3
113.02345	2.4
114.05504	1.5
115.00257	9.8
115.03909	2.4
116.07051	2.3
117.01804	1.2
123.00768	5.1
129.01830	3.9
140.07092	3.0
141.01834	24.6
141.05461	1.4
146.14363	1.1
158.08142	4.4
159.02917	1.5
159.04393	2.5
161.80392	1.3
175.03923	1.3
186.07599	3.0
203.01900	74.7
203.03354	3.2
204.02408	2.8
204.08749	7.7
213.98120	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1178
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
51.67806	0.4
53.00183	0.5
57.87355	0.4
59.01256	2.2
65.00191	1.1
65.01314	0.9
69.03008	0.4
69.03335	3.2
69.41920	1.4
69.42340	3.0
77.49730	0.5
80.99687	0.8
81.03339	0.6
83.04898	1.9
89.48819	0.5
95.01301	1.1
108.99223	0.7
109.02846	0.9
109.06295	0.5
112.01603	0.6
114.72842	0.5
121.02821	0.9
123.00771	3.6
123.08064	0.9
125.02378	1.1
125.09595	0.6
135.08025	0.7
138.03157	0.8
140.35873	0.4
141.09132	1.0
151.11143	1.3
153.01831	0.7
153.05453	0.6
153.09137	2.1
153.12747	6.4
166.99791	2.4
169.01340	0.5
169.12267	20.8
170.12607	1.8
171.06804	0.5
179.07103	0.6
179.10754	2.2
182.02194	4.4
184.62936	0.4
197.08151	2.3
197.11774	100.0
198.07788	0.8
198.12106	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	199.0242
Annotation	3-Carboxymethylmuconate
Peak:m/z	Relative Intensity
55.01766	2.2
57.03319	3.3
59.01251	2.5
59.43895	1.2
65.00195	15.4
67.01759	16.5
68.99685	4.0
69.03334	14.5
69.71408	4.8
69.71840	5.4
71.01246	1.6
76.17442	1.4
79.01775	2.1
81.03371	1.6
83.01269	11.2
85.02818	2.0
85.06508	1.4
88.62729	1.5
93.03316	1.6
95.01266	49.2
96.99155	1.4
97.02837	44.6
98.65771	1.4
109.02859	1.9
111.00773	35.7
111.04369	2.6
111.08040	1.4
112.98754	1.5
113.00584	3.4
123.00778	26.8
124.00107	1.6
125.02308	1.6
125.09608	1.5
127.03905	4.8
139.00279	49.6
140.01096	28.1
153.01848	78.8
154.02173	4.1
155.03412	7.6
166.99782	88.0
168.00148	3.6
171.02942	1.9
181.01358	100.0
182.01685	6.2
185.00859	13.3
199.02509	9.1
199.09782	8.1
199.13370	4.5
199.16943	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	197.0602
Annotation	3,4-Dihydroxyfluorene
Peak:m/z	Relative Intensity
53.00185	3.0
53.75925	1.7
59.01241	6.2
61.98701	2.0
65.00191	3.7
71.01263	2.5
71.56803	2.9
80.99680	2.9
81.03352	2.0
95.01263	5.6
107.04910	2.9
108.99202	2.6
109.02811	3.8
111.00737	2.4
111.04372	2.5
112.01514	2.6
116.92736	3.9
121.02834	4.8
123.00763	21.8
123.08068	2.0
125.02345	5.3
125.23447	1.7
126.90411	3.9
130.99239	3.4
137.02309	2.8
138.03117	6.4
141.89020	2.0
149.01485	1.8
153.01837	2.8
153.05516	4.0
153.12749	4.2
155.65468	1.8
160.84171	4.7
162.83818	8.6
166.99783	18.5
169.01303	2.3
169.06474	5.2
169.12288	3.3
177.42485	1.9
178.99709	2.9
182.02113	26.5
182.27773	2.0
196.98405	3.0
197.04495	6.5
197.06033	100.0
197.08047	8.4
197.10069	3.1
197.11722	16.9
197.15367	5.1
197.80756	4.8
198.04112	1.9
198.06367	7.0
198.08105	2.1
198.11906	2.0
198.38094	1.9
204.94928	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	197.1178
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.00184	1.0
55.01772	0.6
55.47184	0.6
57.03333	0.8
59.01244	2.2
62.66149	0.5
65.00191	1.2
68.99687	0.6
69.03334	0.7
71.04892	1.6
80.99698	0.8
81.03353	0.6
82.02834	0.7
83.04900	0.9
95.01273	1.8
95.04903	0.7
97.06467	16.4
98.06802	1.0
99.08021	4.9
107.04924	0.7
109.02840	1.8
109.06472	1.7
111.04421	0.8
111.08043	1.0
121.02840	1.8
122.03640	2.8
123.00760	5.3
123.04333	0.7
125.02340	2.7
125.05946	0.7
125.09621	1.4
126.90410	0.8
130.99162	0.6
134.95827	0.5
136.98723	0.8
137.02306	1.4
137.09628	2.2
138.03117	1.7
140.00987	0.6
151.11217	1.8
153.01857	1.3
153.05473	0.8
153.12756	100.0
154.13106	7.3
162.83803	1.9
166.99756	5.1
169.01398	0.6
169.12373	0.7
178.99808	0.9
179.10706	20.6
180.11037	1.8
182.02139	8.0
197.02095	1.6
197.04468	1.9
197.08102	2.4
197.11758	11.0
197.15399	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	191.0554
Annotation	2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone
Peak:m/z	Relative Intensity
50.96227	0.4
55.01762	0.6
57.03334	3.0
59.01257	6.5
67.01762	3.2
69.03331	1.2
69.34573	4.5
69.34972	1.1
71.01241	3.7
72.99171	0.4
73.02810	2.1
81.03336	2.0
83.04901	2.6
85.02824	53.0
86.03165	1.6
87.00748	23.6
87.54218	0.5
89.94814	0.5
93.03336	14.8
99.00719	0.5
99.04382	1.7
108.07011	0.5
109.02829	3.9
111.00765	24.4
111.04384	3.9
112.01088	1.1
113.02315	0.6
126.63438	0.5
127.03903	7.9
128.04211	0.6
129.01833	1.0
137.02332	0.6
139.33340	0.5
155.03413	0.4
171.02858	2.5
173.04445	3.3
191.01920	2.0
191.05545	100.0
192.05908	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.7
59.01258	3.5
67.01744	1.1
69.03327	0.5
71.01257	2.1
71.13902	0.4
71.14507	0.7
73.02810	0.8
81.03333	0.8
83.04892	1.2
85.02824	28.0
86.03147	0.7
87.00743	7.1
93.03336	8.3
99.00766	0.4
99.04374	1.2
103.47461	0.3
109.02837	1.8
111.00777	3.5
111.04410	3.4
113.02320	0.3
116.12540	0.3
125.02357	0.5
127.03899	6.2
129.01797	0.3
137.02367	0.7
142.82814	0.3
146.61929	0.3
153.01764	0.5
155.03348	0.8
163.69421	0.3
171.02924	2.5
173.04459	3.0
176.00975	0.4
191.05539	100.0
192.05876	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0085
Annotation	4,5-Dihydroxyphthalate
Peak:m/z	Relative Intensity
52.05306	1.0
53.00195	34.5
53.17100	1.0
59.01235	1.4
60.18567	1.0
65.00194	33.1
66.00536	1.3
66.67474	1.1
67.01756	4.0
68.99685	4.7
72.99150	1.2
79.01731	1.2
80.99694	100.0
81.03345	1.1
82.00014	4.0
82.00465	2.0
83.01261	7.5
85.02805	2.5
92.99702	10.3
93.03338	1.9
94.30849	0.9
95.01266	22.6
96.01615	1.0
96.99194	17.9
97.02811	6.3
97.99989	2.5
98.20550	3.9
99.00757	3.7
108.99198	30.5
109.02824	3.7
109.06451	1.1
110.00007	9.0
111.00768	12.4
113.02345	1.4
120.99181	1.5
123.00784	5.8
124.98701	2.8
125.02341	8.4
125.99480	3.0
126.01849	1.1
136.98708	83.4
137.02299	2.8
137.99535	2.8
138.03137	1.6
139.00258	7.3
151.00314	1.4
153.01831	9.3
153.05525	1.6
153.98964	11.9
154.99707	2.5
155.03450	2.2
157.23164	1.2
164.98204	5.9
165.01794	1.4
165.99001	25.5
166.01190	1.2
166.99765	1.6
167.80269	1.2
169.01341	61.9
170.01726	3.8
181.01274	5.3
181.98456	2.0
182.02136	4.8
197.00847	63.5
197.04466	5.3
197.11798	1.2
198.01245	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	189.0762
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
56.74709	0.4
58.74894	0.4
59.01248	3.3
65.01328	0.6
65.99718	0.8
66.27067	0.5
70.74709	0.4
71.04893	6.9
71.57295	0.8
71.57678	0.5
75.00814	0.4
83.04911	0.5
86.96835	0.4
87.00748	0.4
99.08036	40.2
100.08384	2.2
101.05976	1.2
109.02852	0.6
111.40453	0.5
117.03361	0.7
118.03957	0.5
120.04448	0.9
121.03967	0.8
127.03901	0.5
127.05448	1.7
127.07543	34.7
128.07892	1.5
129.05470	100.0
130.04089	0.5
130.05806	4.1
134.03636	0.4
143.07036	0.7
145.06563	0.6
145.08620	6.1
146.03542	0.4
148.05034	0.8
161.02293	0.5
162.01826	0.5
162.03061	0.9
162.06702	0.5
164.03487	0.8
171.06548	5.3
189.01883	0.7
189.05586	2.7
189.07613	30.9
190.01358	0.6
190.07938	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	191.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31826	0.2
57.03326	4.2
59.01248	3.8
59.80796	0.2
59.92270	0.3
60.50447	0.3
67.01764	2.0
68.41559	0.3
69.03327	0.7
71.01258	2.7
71.14199	0.8
72.99190	0.5
73.02812	1.5
81.03326	1.0
83.04901	1.2
85.02826	37.4
86.03174	1.1
87.00751	25.4
88.01072	0.7
93.03341	9.0
94.03736	0.3
99.04395	1.1
102.17591	0.3
108.02106	0.4
109.02842	2.2
111.00768	37.4
111.04411	2.1
112.01111	1.7
117.01839	0.3
127.03931	4.1
129.01825	2.0
130.99806	0.4
137.02391	0.6
154.99860	0.4
155.03363	0.5
171.02959	1.3
173.00873	0.4
173.04485	1.9
174.04688	0.3
189.59471	0.3
191.02003	3.3
191.05545	100.0
192.05901	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	191.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31826	0.2
57.03326	4.2
59.01248	3.8
59.80796	0.2
59.92270	0.3
60.50447	0.3
67.01764	2.0
68.41559	0.3
69.03327	0.7
71.01258	2.7
71.14199	0.8
72.99190	0.5
73.02812	1.5
81.03326	1.0
83.04901	1.2
85.02826	37.4
86.03174	1.1
87.00751	25.4
88.01072	0.7
93.03341	9.0
94.03736	0.3
99.04395	1.1
102.17591	0.3
108.02106	0.4
109.02842	2.2
111.00768	37.4
111.04411	2.1
112.01111	1.7
117.01839	0.3
127.03931	4.1
129.01825	2.0
130.99806	0.4
137.02391	0.6
154.99860	0.4
155.03363	0.5
171.02959	1.3
173.00873	0.4
173.04485	1.9
174.04688	0.3
189.59471	0.3
191.02003	3.3
191.05545	100.0
192.05901	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	187.0969
Annotation	Nonanedioic acid
Peak:m/z	Relative Intensity
57.03326	5.1
59.01249	1.3
65.01319	1.7
65.99727	1.7
66.00833	0.6
66.03344	0.6
66.49419	0.4
69.03326	0.8
73.02832	0.9
83.04902	1.5
85.06509	0.5
91.02868	0.8
95.04900	1.2
97.06468	15.0
98.06802	0.7
98.36090	0.5
99.08026	2.3
105.04530	0.5
109.95491	0.5
114.79951	0.4
118.02851	0.5
118.04026	1.0
121.43463	0.4
122.03503	0.8
123.08057	8.2
125.09615	100.0
126.09960	7.0
129.09093	0.9
130.03963	0.5
133.04002	1.6
134.03435	0.5
139.07561	0.8
143.10696	1.9
144.04451	0.7
145.03960	0.7
145.05074	1.1
146.03577	0.7
147.04298	0.6
159.10182	2.1
160.05109	3.0
161.04570	1.0
168.88724	0.5
169.08673	2.2
182.05247	0.6
187.03906	0.7
187.06248	2.4
187.09691	34.8
188.10066	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	183.0291
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
59.59626	1.0
65.00203	3.0
67.01756	4.4
68.99689	2.0
71.01258	3.9
72.99190	2.5
82.00483	3.9
83.01273	3.5
85.99977	2.6
93.68591	1.3
95.01263	2.4
97.02806	1.5
106.00484	2.6
109.99992	4.8
111.00768	32.9
112.01057	1.7
119.75709	1.2
123.00751	4.6
124.01570	49.0
127.00275	13.6
136.98708	20.6
139.00276	31.7
139.01360	1.9
140.01054	54.0
141.01427	1.9
151.00262	1.8
154.99800	3.1
168.00569	22.1
169.00951	1.2
183.02930	100.0
184.03224	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	184.985
Annotation	3-Phosphoglycerate
Peak:m/z	Relative Intensity
59.15113	0.2
62.49174	0.2
70.86731	0.5
78.95778	100.0
81.95198	0.5
87.00758	0.4
96.96841	83.5
105.01807	0.4
111.89996	0.2
132.82043	0.2
136.96323	0.4
141.09033	0.5
141.12852	0.2
166.97375	1.3
167.74365	0.2
184.98476	3.9
185.11774	0.6
196.29346	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0553
Annotation	myo-Inositol
Peak:m/z	Relative Intensity
55.01768	1.3
55.85473	0.9
57.03309	1.4
58.00488	0.8
59.01252	9.8
69.03323	2.6
69.64903	5.2
69.93293	0.6
71.01249	13.9
72.01565	0.9
72.99170	1.1
73.02814	11.1
74.13095	0.7
75.00745	10.0
77.92253	0.7
81.03342	1.9
83.01250	4.7
85.02822	19.6
87.00751	91.7
88.01094	1.7
88.78378	0.7
89.02310	5.4
95.01260	1.5
97.02820	6.1
98.20515	1.3
99.00755	21.7
101.02325	13.2
111.00764	1.0
113.02326	4.5
117.01831	21.3
125.02345	14.9
129.01817	4.2
141.01845	14.6
141.31895	0.8
143.03409	1.3
147.02919	1.9
158.58885	0.7
159.02902	10.1
161.04463	100.0
162.04788	5.2
170.78818	0.8
177.03957	5.7
179.05533	94.8
180.05907	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	179.0553
Annotation	scyllo-Inositol
Peak:m/z	Relative Intensity
51.30628	0.6
55.01748	3.5
55.50010	0.6
55.95745	0.8
57.03316	2.3
58.00455	1.5
59.01253	22.9
63.17087	0.7
63.37556	0.6
65.55592	0.7
66.19736	0.7
66.89448	0.7
69.03326	5.1
71.01254	28.4
72.99178	2.5
73.02822	11.6
75.00748	11.4
81.03352	1.8
83.01250	7.1
84.09637	0.8
85.02826	24.5
87.00754	100.0
88.01085	2.7
89.02309	10.3
95.01289	2.5
97.02821	9.2
99.00755	27.9
101.02322	11.4
105.01807	1.1
107.01310	0.9
108.37299	0.8
111.00739	1.4
113.02338	3.8
113.59546	0.7
117.01820	19.0
118.02151	0.9
118.71809	0.7
119.70905	0.8
125.02342	13.1
126.02709	1.2
129.01825	2.9
131.03392	1.6
134.03645	1.1
135.00804	0.9
135.04422	8.6
138.03123	0.9
141.01843	9.3
143.03409	1.4
151.07483	1.0
159.02885	5.5
161.04468	61.5
162.04836	3.4
177.03899	2.3
178.51237	0.7
179.05542	57.9
179.06940	2.3
180.05884	3.4
190.31332	0.8
192.56320	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0554
Annotation	Sorbose, L-
Peak:m/z	Relative Intensity
55.01743	3.2
57.03334	4.4
58.00472	5.2
59.01255	100.0
63.02269	32.7
65.00198	16.3
69.03310	3.6
69.26639	24.8
69.27041	5.6
71.01257	65.4
72.99181	8.1
73.02805	6.6
75.00735	3.7
83.01263	22.2
85.02818	19.8
87.00752	64.7
89.02293	19.8
95.01280	5.1
97.02837	4.6
99.00754	17.7
101.02315	12.0
107.01270	27.8
109.03958	3.4
113.02338	7.5
117.01817	11.7
125.02291	7.1
135.04428	6.8
141.01826	5.3
150.99165	3.2
151.00294	45.5
152.00710	3.3
158.81630	2.7
159.02838	3.8
160.06514	2.5
161.04465	31.8
164.01070	5.2
169.01387	15.3
178.99748	20.3
179.03358	3.8
179.05513	25.9
179.06985	6.0
180.05807	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	179.0554
Annotation	D-Fructose
Peak:m/z	Relative Intensity
53.31010	3.5
58.00469	5.1
59.01254	100.0
61.08747	3.0
63.02273	32.7
65.00199	23.6
71.01253	70.7
72.99184	13.8
73.02814	8.9
73.08109	2.8
83.01260	22.2
85.02829	18.7
87.00759	59.0
89.02322	26.0
95.01254	4.8
97.02818	3.6
99.00760	13.9
101.02316	12.6
105.24342	3.3
107.01266	39.7
107.04886	5.4
108.02068	9.9
109.02782	3.2
113.02323	6.3
117.01834	7.6
119.03397	4.7
121.02831	3.5
123.04412	19.3
125.02364	9.6
134.03564	5.2
135.04420	17.3
151.00278	64.0
151.03963	15.2
161.04446	27.8
164.04593	2.9
169.01291	15.4
178.99823	23.5
179.03477	14.8
179.05565	24.4
179.07063	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	179.0553
Annotation	D-Fructose
Peak:m/z	Relative Intensity
55.01757	2.8
57.03332	2.4
57.72149	1.7
58.00471	3.0
59.01252	57.6
63.02274	30.6
65.00204	18.2
69.03322	5.1
69.44514	8.5
69.44938	8.4
71.01257	52.0
71.88204	1.9
72.99180	4.6
73.02818	14.9
75.00736	2.6
81.68414	1.8
83.01250	20.2
85.02822	25.3
86.45610	1.7
87.00756	100.0
89.02327	19.1
95.01276	4.1
96.32219	2.0
97.02816	7.0
98.19805	4.1
99.00762	22.0
101.02336	13.8
107.01268	35.5
108.01595	2.5
109.03969	3.1
113.02319	7.7
115.25821	1.7
117.01843	13.5
119.03443	2.3
121.02793	2.7
123.00827	2.0
125.02320	9.7
135.04425	6.4
141.01877	4.8
146.03607	3.2
149.62801	1.7
151.00279	57.2
151.03844	4.0
151.07518	3.0
152.00653	2.3
159.02861	4.4
161.04475	47.0
162.04915	2.4
164.01035	3.9
169.01331	17.2
177.04019	3.6
178.99799	27.1
179.03397	4.5
179.05537	43.9
179.06982	3.3
180.05728	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	175.0605
Annotation	2-Isopropylmalic acid 
Peak:m/z	Relative Intensity
50.78537	0.4
57.03316	1.2
59.01257	4.2
62.41387	0.4
71.04884	0.8
71.33348	0.6
71.33714	0.9
73.02806	0.6
85.06466	45.3
86.06803	1.6
87.00747	1.1
87.04387	2.0
113.05974	40.7
114.06291	1.5
115.03901	100.0
116.04237	5.3
129.05469	1.2
131.07033	8.2
157.04968	8.3
158.05312	0.8
163.94872	0.5
175.06049	48.3
176.06390	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	175.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.4
59.01248	6.0
70.92343	2.8
71.01256	2.5
71.04874	1.2
73.02848	1.1
74.88153	0.9
85.02856	0.8
85.06464	39.3
86.06805	2.7
87.00754	3.4
87.04388	1.6
93.03323	1.4
104.02541	1.0
113.05975	38.1
114.06335	1.9
115.00295	2.2
115.03900	100.0
116.04258	4.6
120.75330	1.1
129.05420	1.0
131.07048	6.4
138.92522	0.8
145.66789	1.1
147.04442	1.2
157.04996	7.3
160.01405	0.9
161.06436	0.8
175.02618	1.4
175.03963	2.4
175.06061	31.9
176.01149	1.5
176.06393	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9499
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79389	0.2
59.01248	1.3
69.03332	0.4
69.29541	2.3
70.85153	0.2
71.01257	2.7
73.02823	1.1
83.01260	0.6
85.02834	2.2
87.00752	9.2
88.01081	0.3
89.02321	0.6
95.01254	0.4
97.02818	0.8
99.00753	2.4
101.02332	1.3
107.01293	0.3
109.02848	0.5
113.02341	0.5
117.01860	1.4
119.93619	0.4
121.02836	0.3
122.81103	0.2
125.02357	1.2
129.70178	0.2
134.95970	2.4
135.04446	0.5
136.03918	0.2
136.93907	100.0
137.93985	9.7
138.94325	0.3
141.01848	0.7
151.07538	0.9
151.92622	14.3
152.90788	0.3
152.92738	1.5
154.94995	1.4
155.95036	0.2
159.02911	0.3
161.04466	5.1
162.04863	0.3
164.01096	0.8
169.93741	0.3
177.03917	0.3
178.94986	34.6
179.03413	0.6
179.05531	4.5
179.07088	0.8
179.10654	0.2
179.95096	4.4
182.23376	0.2
196.96045	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.3
57.03326	1.5
59.01264	7.9
63.02270	55.7
64.02602	1.6
65.00197	32.5
69.03332	3.3
69.87086	1.7
69.87495	3.9
71.01259	12.3
73.02809	4.3
75.00742	1.1
81.03331	1.1
83.01262	28.3
85.02831	9.3
87.00752	46.5
87.02880	0.9
88.01115	1.4
89.02337	2.2
95.01259	1.7
97.02831	5.2
99.00751	11.4
99.01357	1.3
101.02315	4.9
107.01271	58.6
107.04933	1.3
108.01604	2.7
109.02879	1.7
110.67426	0.8
111.00832	1.3
113.02379	2.0
117.01843	8.2
121.02816	1.5
123.00795	1.7
124.01585	0.9
125.02348	6.8
129.01846	1.6
133.83362	0.9
135.00787	1.3
135.04416	4.9
141.01846	3.5
143.06708	0.8
151.00281	100.0
152.00630	6.5
156.77188	0.9
157.96220	0.9
159.02974	1.6
161.04477	25.2
162.04805	1.4
164.01070	2.1
169.01340	42.8
170.01651	2.2
178.98204	2.1
178.99785	43.7
179.03329	2.1
179.05574	18.8
179.07062	2.4
180.00159	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	175.0241
Annotation	5-Dehydro-4-deoxy-D-glucuronate
Peak:m/z	Relative Intensity
55.01764	3.3
57.03323	2.5
58.00468	0.7
59.01253	15.0
65.00217	0.5
67.01750	2.1
68.99690	16.4
69.03334	4.2
71.01254	22.8
71.56268	0.5
72.01599	0.8
72.99182	12.7
73.02821	8.4
75.00753	8.6
77.79031	0.4
83.01260	10.9
85.02827	11.5
87.00754	100.0
88.01083	3.2
88.15720	0.4
89.02332	1.3
95.01268	3.7
96.99205	1.1
99.00757	10.6
101.02329	3.8
103.00256	2.5
109.76878	0.4
111.00767	8.1
112.98693	1.0
113.02338	7.2
115.00265	26.3
115.03916	0.7
116.00613	0.8
117.01836	1.8
119.04980	0.5
120.00764	0.6
124.98731	0.5
127.00269	21.9
128.00641	1.0
129.01830	5.9
129.52979	0.4
130.46269	0.4
134.72748	0.4
139.00241	3.6
145.01364	1.0
147.04462	0.7
157.01318	4.8
166.73039	0.4
167.15793	0.4
175.02423	14.4
175.03894	1.5
175.06100	0.7
176.02873	0.7
186.03609	0.5
187.05112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.024
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
54.87147	3.3
55.01748	3.7
57.03331	5.4
57.67257	3.4
59.01256	43.6
68.99692	11.6
69.03322	7.2
69.36847	7.4
69.37251	24.4
70.52689	3.2
71.01255	58.2
72.99192	23.4
73.02824	24.6
74.74617	3.3
75.00751	10.2
76.00004	3.1
79.47251	3.6
81.08680	3.6
83.01255	16.0
85.02824	28.5
87.00754	100.0
91.09445	3.0
93.03320	9.5
95.01289	5.5
99.00766	18.8
101.02324	6.8
111.00786	7.6
111.04423	5.6
112.48889	3.9
113.02325	9.6
115.00262	67.9
117.01817	6.7
124.98695	6.3
127.00266	19.9
129.01830	4.1
138.11101	3.5
175.02446	20.8
175.03815	5.7
175.06050	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	175.024
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
57.03315	2.8
58.00502	2.3
59.01258	25.3
65.01315	9.1
67.01753	2.8
68.01331	2.6
71.01249	41.7
72.99184	4.7
73.02824	5.4
75.00729	3.0
83.01256	3.6
83.20708	2.4
85.06463	4.1
87.00749	97.1
88.01115	3.3
91.02897	2.8
93.03357	4.1
105.04506	4.1
106.04030	3.7
107.02378	3.8
113.05954	4.4
115.00256	100.0
115.03879	4.3
133.03981	4.2
133.05014	3.1
134.03493	7.4
148.05045	6.8
157.05072	2.9
175.02486	20.0
175.03828	5.3
175.06122	11.4
175.07452	3.7
176.01105	2.8
176.03313	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	173.0811
Annotation	CHEBI:87267
Peak:m/z	Relative Intensity
54.24855	0.5
57.03325	3.3
58.00458	0.8
58.02841	0.5
59.01252	48.3
59.89083	0.4
60.01577	0.7
60.99181	3.7
63.17697	0.4
65.01315	4.2
65.03832	0.9
65.99724	1.9
67.01762	24.1
68.02089	1.2
69.03328	6.2
71.01259	6.3
71.04901	0.8
71.57441	0.7
72.99186	1.2
73.02819	12.5
77.01357	0.6
81.03333	3.9
83.01250	0.6
83.04898	10.3
85.02825	2.8
85.06467	10.8
86.06806	0.7
89.01350	1.0
91.02892	1.3
92.02496	0.5
93.03337	100.0
94.03674	5.5
99.00760	4.2
99.04425	3.3
103.01627	0.6
103.02879	0.7
106.03989	1.0
109.02839	1.5
109.06493	0.6
111.00774	2.0
111.01496	0.5
111.04405	13.3
111.08045	22.2
112.04718	0.7
112.08378	1.4
113.05965	8.7
115.00253	0.5
116.02404	0.8
118.04025	0.6
119.02438	2.9
119.03146	0.5
120.01923	0.7
129.01833	1.3
129.09137	1.5
130.04010	1.1
131.03566	1.0
131.07037	43.6
132.05612	0.8
132.07385	2.1
137.02350	5.1
143.03471	1.1
145.02922	1.0
146.02431	0.6
146.03499	5.3
146.07179	0.7
147.01875	0.9
155.03398	2.5
173.02257	1.3
173.02962	0.7
173.04523	12.5
173.05998	0.8
173.08086	6.7
173.11781	2.4
174.03056	0.8
174.05414	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0447
Annotation	2-Methyl-3-oxoadipate
Peak:m/z	Relative Intensity
50.07365	0.5
55.01761	4.4
56.05014	0.5
57.03326	4.5
58.00466	1.6
58.02850	0.8
58.03645	0.6
59.01246	2.7
65.03848	3.1
67.01762	4.6
68.56347	0.5
69.03316	2.5
69.46198	2.8
69.46620	2.2
71.00848	0.6
71.01252	20.0
71.04899	1.6
72.99184	1.8
73.02821	44.4
74.03161	1.4
74.42453	0.6
81.03329	6.4
83.01262	2.2
83.04896	19.7
85.02821	14.1
86.03159	0.8
87.00766	0.8
93.03336	100.0
94.03659	4.7
97.02870	0.6
99.00763	16.4
99.04404	14.2
100.01157	0.6
101.02325	1.4
109.02817	1.9
111.00766	42.2
111.04401	29.1
112.01083	1.8
112.04735	1.3
112.98674	3.9
115.00305	0.7
124.98687	4.5
128.07065	1.2
129.01839	5.5
129.05437	0.6
137.02342	20.7
138.02664	1.3
140.98203	0.6
142.99765	9.2
143.03400	3.7
152.56140	0.5
154.99719	1.9
155.03415	7.8
156.03822	0.7
158.21294	0.5
167.09938	0.6
173.00777	2.1
173.04456	8.9
174.07614	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00207	1.1
55.01761	6.1
55.71078	0.6
57.03313	2.4
58.00462	2.4
59.01241	3.1
59.98373	0.8
65.03835	3.0
67.01770	4.4
68.99693	1.4
69.03315	2.4
70.58893	2.5
71.01256	34.9
71.04906	1.4
72.99161	1.5
73.02821	40.7
74.03166	1.0
80.99680	0.9
81.03336	7.6
82.03674	1.0
83.01246	2.1
83.04898	19.3
85.02814	7.6
87.00756	1.1
89.85406	0.7
93.03339	100.0
94.03683	4.2
96.99185	1.7
99.00756	16.5
99.04399	11.7
101.02306	1.1
109.02828	1.6
111.00777	4.7
111.04406	24.8
111.48216	0.8
112.04804	1.2
112.98717	3.6
113.02380	0.8
115.00279	0.7
118.06367	0.7
124.98707	8.9
129.01831	2.8
129.05406	0.7
135.13799	0.7
137.02336	15.5
138.02666	1.0
142.99763	14.3
143.03410	2.4
155.03410	5.5
173.00871	2.0
173.04446	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	172.097
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
53.33530	0.2
57.03354	0.6
58.02858	1.2
59.01273	0.8
60.99196	0.6
65.01343	0.6
65.03857	0.2
65.99744	0.5
67.01764	5.1
67.02097	0.3
68.99716	0.2
69.03361	1.0
69.37061	2.2
71.01257	2.2
71.04933	0.2
72.99207	0.6
73.02819	2.8
73.03181	0.2
77.43513	0.2
81.03369	0.8
82.06517	0.6
83.04893	1.5
84.02048	2.9
85.02853	0.7
85.06490	0.4
89.01365	0.3
93.03339	24.7
99.00764	1.1
99.04430	0.9
99.08041	0.4
100.07516	0.2
101.02335	0.2
105.04492	0.3
109.02837	0.5
111.04412	3.8
111.08045	1.1
127.07555	5.1
128.07837	0.3
128.10707	2.5
129.01863	0.4
130.08638	100.0
131.08153	0.4
131.08994	4.4
137.02332	1.4
143.03479	0.3
144.04399	0.4
144.05565	0.2
145.02866	0.4
146.03505	0.7
155.03387	0.8
172.03825	0.4
172.06265	0.3
172.09688	8.0
173.04503	6.9
173.06815	0.2
173.08080	3.1
173.10020	0.8
173.11574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00178	0.5
55.01760	3.2
57.03324	3.5
58.00463	1.3
58.02841	0.8
59.01249	3.8
59.36133	0.5
60.99174	1.5
65.03826	1.5
67.01760	12.2
68.99675	1.5
69.03335	3.7
69.99504	2.4
71.01254	37.8
71.04876	1.5
72.01575	0.5
72.99188	2.1
73.02819	29.7
74.03166	0.8
80.99670	1.1
81.03339	5.2
83.01264	4.8
83.04896	13.1
84.05209	0.7
85.02824	7.1
87.00747	1.9
93.03336	100.0
94.03670	4.4
95.01255	0.6
96.99183	1.9
97.02836	0.5
98.28779	0.4
99.00757	18.7
99.04393	8.4
100.01115	0.5
100.04732	0.4
100.07500	0.7
101.02301	1.2
109.02836	2.3
111.00763	8.4
111.04404	23.3
111.08022	2.2
112.04754	1.2
112.98673	4.1
113.02345	0.8
115.00262	1.9
123.08435	0.4
124.98706	11.7
128.07065	0.7
129.01836	3.6
129.05481	0.9
134.13647	0.4
135.91470	0.4
137.02336	12.9
138.02718	0.6
140.98122	0.6
142.99768	18.0
143.03391	2.2
144.00096	1.3
144.27921	0.5
145.01318	0.5
154.99748	0.7
155.03429	5.1
171.06181	0.4
173.00836	3.3
173.02231	1.0
173.04482	11.1
173.05991	0.6
173.08118	1.4
173.11673	0.4
174.01244	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.029
Annotation	5-Methylmaleylacetate
Peak:m/z	Relative Intensity
50.77840	0.1
55.01752	0.4
57.03314	0.3
58.00466	0.2
59.01250	2.3
65.00122	0.1
65.03833	9.6
66.03358	4.3
66.04145	0.3
67.01760	4.6
68.01297	0.3
68.99693	1.2
69.03326	8.3
70.03661	0.3
71.01252	7.0
71.04893	1.5
71.56299	0.3
72.01600	0.2
72.99184	1.3
73.02805	0.2
78.95782	1.3
79.98926	0.2
80.02512	0.3
80.99685	0.2
81.03331	21.5
82.02855	0.9
82.03658	0.6
82.89960	0.1
83.01245	0.9
83.04903	1.0
85.02831	1.6
85.99962	0.5
87.00753	4.3
91.01754	1.1
95.01257	1.0
96.03223	0.1
96.96851	0.3
96.99180	0.4
97.02829	1.6
97.86778	0.2
97.87885	0.1
99.00767	1.0
99.04395	3.6
108.02055	7.3
109.02837	100.0
110.02359	6.2
110.03171	4.8
111.00761	2.8
112.00286	1.3
113.02322	0.9
124.98704	1.2
125.02340	2.8
127.03903	59.0
128.04245	2.7
141.01892	0.2
142.99785	0.3
143.03421	1.0
152.98199	1.0
153.01837	2.3
170.99292	1.4
171.02913	6.8
171.10233	0.9
171.13747	0.3
172.02284	1.2
193.62096	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.2
55.25194	0.2
67.01761	1.1
67.10379	0.2
68.99696	0.4
69.02952	0.5
69.03329	8.4
70.03683	0.3
71.01255	0.3
71.05509	0.4
79.01744	1.1
81.03336	2.1
83.01274	0.5
88.81468	0.2
95.01252	1.7
97.02831	6.2
98.03172	0.5
104.73542	0.2
107.01277	0.8
108.02050	0.3
123.00742	0.5
124.01577	2.0
125.02341	100.0
126.01747	0.3
126.02672	5.2
135.23613	0.2
164.26329	0.2
169.01340	22.6
170.01662	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.5
57.03335	0.5
58.02887	0.5
67.01764	1.4
67.90288	0.4
68.99695	0.8
69.03329	9.6
71.01255	1.0
71.33038	0.5
71.33381	0.9
72.31936	0.4
72.37823	0.4
79.01767	1.5
81.03316	2.8
83.01257	1.0
85.02823	0.6
95.01267	1.7
97.02831	5.5
99.00761	0.6
107.01295	1.3
108.60497	0.5
113.02319	0.8
124.01578	3.1
125.02339	100.0
126.02685	5.8
136.23817	0.4
169.01343	24.8
170.01752	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	169.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02268	0.2
55.01764	0.3
56.03333	0.2
56.31737	0.2
57.03322	0.4
67.01775	1.0
68.99687	0.5
69.03329	7.2
69.34574	1.5
69.34973	0.4
70.03640	0.2
71.01257	0.9
79.01759	0.8
80.02572	0.2
80.96406	0.2
81.03331	1.6
83.01259	0.8
85.02839	0.8
95.01260	1.4
97.02832	5.1
97.33272	0.2
98.03158	0.2
98.20586	0.3
99.00758	0.6
107.01289	0.5
108.02081	0.2
109.99959	0.2
110.72837	0.2
113.02340	1.0
123.00769	0.6
124.01568	1.9
125.02340	100.0
125.99483	0.4
126.02670	5.3
150.35605	0.2
151.00240	0.2
157.12959	0.2
169.01344	20.8
170.01683	1.3
178.81337	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13933	0.3
54.29436	0.3
57.03334	0.3
58.02849	100.0
59.03184	1.4
67.01766	0.5
68.70061	0.3
68.99689	0.3
69.03324	2.8
70.02853	0.4
79.01740	0.4
81.03333	0.9
82.21036	0.3
83.01275	0.3
95.01269	0.7
97.02834	2.3
98.19833	0.8
107.01244	0.3
124.01546	0.9
125.02335	41.4
125.09652	0.4
125.99427	0.4
151.11156	0.4
164.26956	0.3
168.13823	6.0
169.01337	8.5
169.12186	0.3
169.14273	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0134
Annotation	Gallic acid
Peak:m/z	Relative Intensity
53.00195	4.7
57.03306	1.1
57.74950	0.4
59.01230	0.4
65.00199	7.2
66.03355	0.8
67.01759	1.9
68.03632	0.4
68.99686	1.1
69.03333	7.3
71.01253	2.2
71.36514	0.9
72.99181	0.8
79.01773	1.0
80.99686	7.6
81.03334	1.6
82.00040	0.5
82.00490	0.5
83.01266	1.7
85.02833	1.3
95.01271	1.9
96.99214	0.7
97.02831	8.1
97.06487	0.5
97.99979	2.2
99.00755	0.8
107.01289	0.9
107.04963	0.4
108.99171	1.0
109.02787	0.6
109.99965	0.6
110.02357	1.5
111.00764	1.7
123.00766	0.6
124.01549	1.9
125.02339	100.0
125.09605	1.0
125.99483	16.9
126.00436	0.5
126.02670	5.2
126.05457	0.4
128.03467	0.4
128.07050	0.6
136.98691	2.1
138.02031	0.5
139.00221	0.7
141.01863	3.0
142.03995	0.8
153.99014	3.3
169.01341	33.3
169.05037	1.2
170.01726	1.7
170.04585	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	7.2
62.08240	3.0
67.01752	4.5
69.03326	8.6
88.09751	2.9
92.99696	5.4
93.03375	4.7
95.01278	10.3
95.04915	4.3
97.02840	5.8
99.08025	10.6
108.02039	37.1
121.02849	3.6
121.06451	3.8
123.00761	6.5
123.04403	32.8
123.08005	4.5
124.01552	8.6
125.02308	5.3
130.03462	3.3
137.02318	4.1
139.03937	6.7
147.25726	3.4
152.01060	67.7
153.01520	3.5
164.98190	5.5
167.03416	38.5
167.05785	4.1
167.07103	6.7
167.10699	100.0
168.11012	11.7
176.94652	2.9
188.85498	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	167.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28150	3.4
53.02134	3.9
58.02842	9.9
68.99699	5.6
69.03329	6.0
70.62618	12.6
81.03298	4.4
83.04919	4.8
86.18060	4.3
92.99706	8.7
95.01260	16.7
95.04888	10.7
97.02830	7.9
99.08002	7.8
108.02048	48.6
118.76864	3.9
121.02833	4.5
122.06003	4.7
123.00784	13.1
123.04398	45.7
123.08121	5.0
124.01585	8.8
125.02344	6.9
125.09675	4.4
137.14423	4.1
138.03255	3.9
139.03873	9.5
152.01050	100.0
153.01416	7.3
160.83255	4.3
166.99818	5.3
167.03413	50.3
167.07085	10.9
167.10693	86.5
168.10977	4.6
170.74120	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	165.0913
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
59.01250	2.1
65.00206	3.0
67.01776	2.2
67.08987	1.2
69.86535	2.4
69.86945	6.9
71.01266	4.2
72.99193	3.5
73.02826	1.7
75.00745	2.8
77.03857	6.5
79.05401	2.5
87.00737	2.1
89.02317	1.5
92.99687	14.0
93.03333	7.4
102.08422	1.4
105.01824	2.6
109.02841	3.6
119.04944	3.3
121.02852	100.0
121.06492	1.3
121.10123	59.4
122.03194	6.2
122.10458	4.6
123.00808	3.5
123.04417	2.3
135.04399	2.1
136.01593	1.5
136.05115	1.9
137.02353	13.1
147.04465	6.5
149.00879	10.1
150.03145	9.0
151.00262	2.9
164.89656	2.1
165.01868	12.5
165.04068	2.2
165.05508	6.6
165.09122	25.1
166.04994	7.1
166.09445	2.8
179.44244	1.6
181.80316	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	166.9978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00166	0.8
55.01760	5.9
59.01254	0.8
64.01804	0.8
65.00207	3.3
65.99709	0.6
66.03366	0.9
67.01763	31.1
68.01282	0.6
68.02087	1.7
68.99691	4.3
69.03336	1.9
70.31693	2.3
71.01252	2.7
72.99167	1.1
79.01768	6.9
80.96365	0.6
81.03335	1.7
83.01261	13.8
84.01585	0.8
90.61322	0.6
95.01267	20.9
95.04930	0.8
96.95905	0.8
96.99216	3.2
97.02840	1.2
99.00774	0.8
107.01340	0.6
108.02055	8.7
109.99998	2.0
111.00768	100.0
112.00414	0.9
112.01043	3.4
123.00775	48.3
123.04436	5.0
123.08070	0.7
124.01631	10.6
124.98730	1.3
125.02327	2.7
126.01896	1.1
127.00274	2.5
135.00813	1.6
136.98703	6.2
139.00279	90.2
139.03915	2.3
140.01100	12.2
141.01894	1.8
152.01085	14.3
153.01616	1.0
154.99815	1.1
166.99789	23.1
167.03435	11.5
167.07071	1.7
168.00421	3.2
168.02962	2.5
182.99368	0.8
185.00851	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67079	0.6
59.01279	1.4
65.00208	1.2
65.01355	0.8
65.91399	0.7
65.99748	0.9
71.01286	1.8
71.57488	1.2
72.99183	40.3
73.99545	0.7
75.00787	2.4
77.03877	1.6
82.04008	0.9
83.02406	0.7
87.00785	2.6
91.05447	1.8
91.36782	0.6
92.99698	1.4
93.03365	2.0
95.02440	1.0
97.02855	0.9
97.03980	1.3
101.03861	3.6
105.01846	1.6
109.02857	2.6
109.04002	0.8
117.03348	1.2
119.04919	47.3
120.05241	3.3
121.02853	19.1
121.05610	0.8
121.06478	0.8
122.02377	1.0
122.03532	1.4
123.00798	1.1
123.01853	0.6
123.05544	0.8
124.05056	1.0
127.52802	0.8
135.04466	1.0
137.02351	6.7
138.05412	0.7
140.24066	0.6
144.04282	0.6
147.04422	100.0
148.04776	9.1
149.00856	2.3
150.03143	3.0
151.00243	1.6
165.01868	4.9
165.04138	1.6
165.05473	23.7
166.04854	0.8
166.06032	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
70.03741	7.3
70.04142	3.1
71.21254	2.1
81.64307	2.1
121.10118	100.0
122.10460	6.9
143.17111	2.0
145.57098	2.0
150.06252	2.5
165.09122	54.2
166.09444	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80942	2.9
69.54749	21.6
98.19817	6.4
112.90204	2.9
121.02804	5.7
121.10121	100.0
122.10438	6.7
137.09654	3.8
165.01837	3.1
165.09131	53.2
180.06541	2.7
180.39937	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	165.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.5
57.03324	0.7
59.01252	8.6
69.27588	0.6
69.80796	2.8
71.01253	12.7
72.99187	5.9
73.02817	3.4
75.00747	19.4
77.03850	0.8
77.85164	0.5
79.87288	0.5
81.03345	0.5
82.08998	0.5
83.01258	0.7
83.36256	0.5
85.02824	1.4
87.00753	100.0
88.01089	2.3
89.02286	3.2
91.01701	0.5
99.00752	11.6
101.02306	4.0
102.81573	0.5
105.01819	65.2
106.02156	1.8
115.57754	0.5
117.01829	2.2
121.02848	8.0
122.03202	0.8
129.01869	1.0
135.02916	1.2
147.02888	4.6
157.66133	0.5
164.89491	1.2
165.03961	28.4
166.04254	1.4
184.24794	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68298	0.8
57.03326	1.1
59.01249	8.8
71.01255	7.5
71.56333	1.4
72.99193	4.7
73.02818	3.8
75.00752	20.9
85.02810	1.3
85.25204	0.9
87.00751	100.0
88.01096	2.6
89.02303	3.8
99.00770	12.0
101.02340	4.2
105.01820	80.0
106.02144	1.9
112.65252	0.8
117.01832	2.9
119.03380	0.8
129.01849	1.9
135.02896	2.6
147.02898	9.0
149.24283	0.8
165.03960	56.2
166.04292	3.1
178.62799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64431	1.2
55.01763	16.0
57.03321	16.3
58.00467	3.2
59.01252	61.3
60.01578	1.7
66.69827	1.5
69.03326	14.9
69.64637	2.7
69.65045	6.4
71.01253	67.1
72.01601	1.5
72.99180	10.2
73.02819	65.5
74.03129	1.7
75.00747	4.4
81.03325	5.3
83.01257	25.4
84.01601	1.3
84.02066	1.7
85.02826	85.4
86.03175	2.8
87.00751	32.7
89.02309	3.8
95.01261	5.5
97.02830	18.8
99.00758	24.0
99.04427	2.3
101.02324	27.0
111.00783	1.8
113.02336	7.9
118.02824	1.7
123.00745	1.7
125.02338	21.6
126.02614	1.3
131.03383	4.0
141.01846	4.4
161.04469	100.0
162.01889	1.6
162.04831	5.4
163.70988	1.3
169.56464	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	163.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20153	1.4
57.31456	1.7
63.95863	1.5
91.01768	3.9
91.35865	1.4
93.03353	2.1
107.04873	2.0
119.01281	2.8
119.04923	14.7
135.00827	1.7
147.08009	2.1
163.00281	5.7
163.03984	2.0
163.11198	100.0
164.11545	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	164.0709
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
52.48178	0.8
53.58918	0.8
59.01250	3.0
71.01250	4.9
71.05552	1.8
72.00784	41.5
72.99189	1.3
75.00739	1.4
83.82946	0.8
85.02862	1.1
87.00754	6.7
89.02331	2.0
92.04935	1.5
92.99680	1.5
93.03339	3.5
94.82283	0.8
98.89702	0.8
101.02327	1.5
102.15867	0.8
105.01845	4.2
109.02823	2.8
119.04883	2.4
120.04440	2.8
120.05266	3.1
121.02842	15.6
137.02412	5.3
147.04424	100.0
148.04782	7.2
149.00853	3.3
149.05917	1.1
150.03127	11.6
164.03368	2.2
164.07089	38.6
165.01846	3.4
165.03929	3.2
165.05478	2.2
165.07437	4.3
165.09126	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	3.0
59.01251	36.4
67.05388	1.9
68.99687	1.9
69.03325	4.6
71.01263	25.8
75.00740	4.2
75.93223	1.3
80.57764	1.4
81.58840	1.2
83.04881	1.9
84.99181	20.2
85.02798	1.4
87.38719	1.4
99.00777	1.9
104.55777	1.5
109.06467	11.9
111.08037	9.0
113.09623	2.2
115.00221	1.9
118.28426	1.7
121.06488	3.0
127.00270	9.6
127.07545	58.2
128.07883	4.0
128.98158	3.1
136.20656	1.3
139.07541	34.8
140.07906	1.5
156.89470	2.6
157.01320	1.9
157.08618	100.0
157.12242	21.7
158.08981	6.5
158.12601	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	159.0291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.8
57.03326	61.4
59.01245	5.7
65.01318	7.0
65.99702	2.7
66.71888	1.2
68.99682	1.6
69.03334	10.7
69.44811	11.1
71.01254	9.4
71.04895	3.3
72.99183	5.5
73.02819	7.0
77.01289	1.1
83.01266	3.2
85.02824	64.1
86.03155	2.0
87.00758	3.5
89.01344	2.0
90.00844	2.5
91.02878	2.8
92.01286	1.3
97.02832	10.4
97.06459	4.0
98.19651	1.4
99.00762	5.2
101.02333	10.6
102.34189	1.2
106.04002	2.3
111.00783	2.8
113.02335	13.8
113.09609	2.4
115.03897	34.3
115.07556	2.0
115.81609	1.3
116.02436	3.9
116.04241	2.7
116.04975	2.8
119.02396	2.5
119.04768	1.8
120.03268	1.4
129.01857	1.8
132.05577	3.8
133.03964	4.1
141.01822	3.5
143.52403	1.4
158.89294	2.2
159.02908	100.0
159.06613	5.2
159.10123	2.7
159.89281	2.1
160.03177	6.2
160.05078	4.0
160.63885	1.3
179.57269	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	4.9
57.03326	100.0
57.57339	0.7
58.03640	2.5
59.01245	2.8
64.97405	0.8
67.01762	3.5
69.03332	3.4
70.02885	0.8
71.01255	1.9
71.57165	1.3
81.03339	2.2
83.01260	7.0
83.04892	6.4
84.00791	1.0
84.04417	1.4
84.64612	0.8
85.02828	1.1
93.03330	17.7
95.01267	0.9
97.99950	0.8
99.92465	2.3
109.02864	2.0
109.06474	1.4
111.00758	4.8
111.03272	1.2
111.04403	3.4
111.08059	1.8
114.05512	3.0
127.00250	2.6
127.11165	4.9
132.83746	0.9
136.11172	0.9
137.02330	1.1
137.09709	1.0
139.11186	2.8
140.00986	1.3
149.24739	1.0
149.49072	0.8
153.12766	3.7
154.99785	3.2
155.02504	2.3
155.07062	2.2
155.10741	1.0
155.14328	47.6
155.86436	3.9
156.06621	1.9
156.14639	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	157.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.8
59.01253	30.9
59.50377	1.4
61.51522	1.0
62.52922	1.1
67.05406	2.5
68.99699	1.2
69.03323	1.5
70.43604	2.5
70.43990	2.1
71.01258	23.9
78.56439	1.1
83.04876	2.9
84.43153	1.1
84.99191	13.7
90.30569	1.4
99.00792	1.5
109.06465	12.5
111.08021	6.5
113.09622	3.0
121.06498	3.0
125.20052	1.4
127.00250	6.0
127.07546	58.9
128.07858	2.1
139.07550	37.7
140.07915	3.3
144.34360	1.2
156.89392	2.5
157.01285	1.5
157.08615	100.0
157.12216	11.4
158.09021	7.7
179.11249	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	69.7
57.03334	11.5
57.29637	6.4
58.02866	11.3
59.01253	49.3
65.00208	20.0
65.03838	9.6
67.01779	13.5
69.03331	20.8
69.87964	41.5
71.01278	18.2
74.02351	20.8
81.03345	17.5
83.01253	57.9
83.04914	38.2
84.04427	22.5
85.02825	9.1
93.03339	100.0
95.01263	21.7
96.00798	19.9
96.99197	24.3
97.02826	7.9
98.02335	13.4
98.19823	9.1
99.00791	12.2
109.02824	13.4
109.06466	30.0
111.00772	23.2
111.04404	21.0
111.05471	7.4
111.08016	10.4
114.05503	15.6
125.03431	6.9
127.00237	36.0
137.02365	9.2
140.01022	11.8
145.06537	12.3
154.02782	8.4
154.99763	71.6
155.03548	58.4
155.04724	10.4
155.07013	21.6
156.05557	10.4
173.21602	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	155.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98964	8.0
52.35897	7.3
53.70317	7.6
55.01764	73.8
57.03318	18.1
58.02832	11.9
59.01258	77.1
64.62926	7.2
65.00202	14.0
65.03831	21.9
65.20172	8.3
69.03326	16.8
70.02832	8.4
71.01241	29.7
71.14752	22.4
74.02347	22.4
75.00721	7.5
81.03333	35.8
83.01278	75.6
83.04900	100.0
84.00761	10.1
84.04436	43.6
85.02818	16.1
86.02343	13.3
88.49474	7.4
93.03334	89.1
93.06990	11.1
95.01269	17.6
95.04858	8.9
96.00798	21.0
96.99189	24.0
97.03947	14.6
103.31297	8.8
107.04904	13.7
109.02827	13.8
109.06480	73.2
111.00759	31.6
111.04419	19.2
111.05461	13.9
111.08047	28.2
112.03928	9.3
113.02273	7.7
113.03492	12.0
114.05481	29.7
123.00709	9.2
125.06024	13.9
127.00281	48.6
127.03902	9.1
130.71941	9.0
137.02370	15.6
137.05984	17.4
140.01024	18.3
145.06491	72.7
153.05580	8.5
154.99762	46.7
155.02551	7.8
155.03497	61.9
155.04857	31.2
155.07076	39.4
156.02998	9.2
156.05501	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	155.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	52.7
55.08010	4.1
57.03317	9.8
59.01255	37.9
65.00189	6.3
65.03838	19.5
67.01768	20.5
69.03328	12.1
71.01251	16.5
81.03341	14.9
83.01257	43.7
83.04897	68.1
84.00777	6.2
84.04427	12.8
85.02808	8.7
93.03339	100.0
93.06979	5.1
94.03683	6.3
95.04900	6.3
96.95892	16.0
99.00778	5.2
99.92496	8.3
107.04910	5.1
109.02848	12.7
109.06481	55.6
111.00786	25.2
111.03300	10.3
111.04396	22.5
111.08041	24.3
112.03943	8.0
112.96481	4.5
113.02307	4.8
113.05996	5.7
114.05493	21.2
123.00778	6.2
125.02345	3.9
125.05946	13.0
127.00259	24.7
137.02321	9.9
137.05969	9.6
140.01033	22.4
148.53729	5.5
154.86781	6.2
154.99800	27.7
155.02516	16.6
155.03484	13.9
155.07021	38.6
155.10661	8.2
155.86476	55.7
156.06557	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	155.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	33.6
57.03325	10.9
59.01259	30.2
65.00186	7.8
65.03838	13.0
67.01766	18.8
69.03349	8.2
71.01260	11.8
78.19747	4.3
81.03326	22.4
83.01257	42.8
83.04892	60.2
84.00794	4.9
85.02834	9.0
93.03335	100.0
93.06982	5.8
96.95913	5.0
97.02875	7.2
99.92448	6.7
109.02837	11.3
109.06483	37.8
111.00767	30.1
111.03313	5.3
111.04376	22.0
111.08047	17.4
114.05474	22.7
125.05956	7.7
127.00256	24.2
137.02373	11.1
137.06033	5.0
140.01050	11.8
154.86780	9.9
154.99800	26.2
155.02568	17.6
155.03600	8.6
155.07065	30.1
155.08170	4.8
155.10678	7.2
155.86473	72.1
156.06506	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	155.0341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	100.0
56.02093	3.0
56.20664	0.5
59.01249	0.9
65.00196	1.8
65.03835	2.5
67.01761	1.5
68.99683	0.9
69.03309	0.7
69.64993	4.5
71.01252	14.7
72.99183	0.8
75.02273	1.2
81.03328	5.8
83.01260	42.4
83.04898	10.6
84.01604	1.7
84.07742	0.6
85.01918	0.7
85.02827	0.8
93.03339	98.2
94.03155	1.0
94.03667	5.3
99.00770	1.8
109.02847	1.2
111.00768	2.0
111.04410	9.3
112.98660	1.1
114.05502	4.0
117.01846	0.7
119.44914	0.6
127.00270	16.0
137.02356	4.7
140.01102	0.7
154.99777	46.5
155.03400	2.0
155.07014	0.9
156.00116	2.8
156.06538	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	155.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52023	9.8
52.77020	11.2
57.03307	13.4
59.01253	77.2
62.14146	10.3
65.03832	17.9
69.03334	21.3
70.08371	52.3
81.03341	27.5
83.04897	85.0
88.42727	12.2
93.06994	25.6
107.04955	21.2
109.06480	100.0
111.08041	19.7
125.05968	19.8
137.05992	17.6
155.05528	12.6
155.07050	51.3
155.86485	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	155.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94064	4.7
55.01749	8.3
57.03329	11.3
59.01252	75.0
65.03825	33.2
67.05396	5.4
69.03326	19.1
70.85543	6.5
70.85880	10.6
71.01259	8.4
81.03342	29.6
83.01246	11.5
83.04897	87.6
84.05216	5.9
88.65611	5.2
93.03333	25.6
93.06950	14.9
95.04877	8.9
101.00424	4.5
107.04897	15.3
109.06474	100.0
110.06794	6.0
111.04379	5.7
111.08082	26.5
117.82147	4.8
125.05955	20.4
137.05952	15.6
140.01025	7.0
141.98433	4.6
151.86229	4.6
152.99515	4.7
155.07065	43.4
155.86446	22.8
174.70323	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	154.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58965	1.0
55.01760	100.0
56.02095	3.0
59.01235	2.1
65.00191	3.1
67.01748	1.7
68.94013	1.1
68.99708	1.4
69.27479	1.2
70.91290	2.1
70.91677	2.3
71.01254	17.1
77.17149	1.0
81.03327	2.6
83.01260	50.5
83.04873	7.3
84.01589	2.5
85.02868	2.1
87.00756	1.1
93.03339	28.4
94.03691	1.9
97.02815	1.3
97.27097	1.2
99.00763	2.3
111.00788	2.1
111.04397	6.0
112.04720	1.0
112.98678	1.9
114.05486	3.6
114.66303	1.2
127.00275	19.6
137.02368	3.8
140.01045	1.8
140.36847	1.0
154.99771	61.9
155.03418	3.0
155.07117	2.0
156.00096	5.2
167.95953	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00188	1.2
59.98392	0.6
65.00199	87.2
65.99714	0.5
66.00535	2.7
67.01759	1.4
68.99689	1.4
69.03323	2.0
70.58148	0.6
70.58501	1.2
72.99178	0.5
79.98929	0.6
81.03333	2.6
82.00502	0.7
82.02860	1.3
83.01271	2.3
83.59738	0.5
85.02822	1.0
95.01266	13.7
96.99185	0.8
97.02834	100.0
98.03159	4.2
108.02060	3.8
109.02843	43.8
109.99989	4.3
110.02475	0.4
110.03141	2.0
111.00800	0.6
111.04367	0.5
120.99237	3.7
122.31532	0.5
125.02336	4.9
126.01865	1.2
126.83542	0.5
137.99487	4.5
139.00279	5.8
153.01846	29.9
153.05452	1.3
154.02386	1.8
154.04897	0.7
161.74274	0.5
170.22462	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	100.0
56.02087	3.8
61.78060	1.4
65.00205	2.3
67.01750	2.4
68.71957	1.6
70.48563	5.7
71.01261	12.6
77.93964	1.5
81.03339	4.3
83.01263	34.9
83.04896	8.7
84.76261	1.8
93.03339	60.0
94.03689	3.1
111.00756	3.9
111.04397	5.8
114.05492	5.1
127.00266	12.5
127.03892	2.0
137.02345	4.0
146.35880	1.8
154.99792	35.5
155.03423	2.4
155.25594	1.7
156.00145	1.9
167.63849	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	152.0345
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32445	0.1
56.99398	0.1
59.01242	0.7
64.99897	0.2
65.00185	1.0
65.03831	0.2
66.03351	0.7
67.01743	0.2
68.99686	0.3
69.03306	0.2
71.15261	0.2
71.15609	0.4
72.04419	2.0
79.95619	0.2
80.96388	0.6
81.03344	1.4
82.02875	0.3
83.01269	0.3
91.01763	0.5
95.01238	0.2
97.02826	1.0
108.02056	3.3
108.04482	0.4
109.02836	35.5
109.99072	0.6
109.99947	0.8
110.03523	0.3
121.02842	1.5
122.03627	51.1
123.00755	0.2
123.03945	3.1
124.01508	0.2
124.04738	0.3
125.02307	0.9
137.01913	0.6
137.99471	1.0
152.03436	100.0
153.01843	6.7
153.03789	6.8
153.05449	0.2
153.09177	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54920	0.3
58.02862	0.7
59.01250	1.3
65.00200	2.9
65.01318	0.4
65.03824	0.5
65.99719	1.5
66.03355	1.4
67.02888	1.2
68.01283	1.1
68.99677	0.8
69.03325	0.8
69.74334	2.5
71.46601	0.4
72.04417	3.9
72.99200	0.4
77.62895	0.4
79.64510	0.4
79.95614	0.5
80.96395	1.2
80.99692	0.3
81.03349	2.8
81.04452	1.6
82.02855	1.8
82.03990	0.8
83.01273	0.8
84.00804	0.5
89.02329	0.6
91.01771	0.7
94.02835	0.4
95.01252	0.4
95.02390	1.2
97.02837	3.9
97.03937	0.4
98.02382	0.7
106.04000	0.5
106.17833	0.3
107.36576	0.3
108.02056	9.6
108.04427	0.9
109.02843	68.8
109.04026	1.9
109.06492	0.7
109.99072	1.2
109.99971	2.6
110.02370	1.3
110.03483	1.5
110.04214	0.4
111.00745	0.4
111.01892	1.2
121.02872	1.8
122.03630	48.5
123.00808	0.8
123.03915	3.2
124.03913	0.5
124.04801	0.7
125.02341	2.1
125.03441	1.3
134.03484	1.1
135.04393	0.7
137.01877	2.1
137.99486	2.4
151.00337	0.4
152.00102	1.6
152.03442	100.0
153.01866	13.0
153.03790	5.2
153.05426	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99629	1.5
56.93122	1.7
57.03318	7.9
57.76851	1.5
59.01255	14.4
60.89412	2.1
60.91179	1.7
66.68829	1.7
71.01256	38.2
71.04895	79.1
71.56415	2.3
72.05212	2.6
72.99187	13.7
73.02822	2.5
73.06463	13.8
75.00755	6.4
75.02246	2.1
83.04904	19.0
85.02817	13.2
87.00752	16.1
89.02279	2.1
99.00772	3.9
99.04401	6.9
101.05963	100.0
102.05598	1.8
102.06273	4.7
110.16239	1.7
117.05413	1.9
129.01862	5.5
129.05463	1.9
147.02916	2.1
147.04576	3.0
147.06529	56.8
148.06866	4.2
149.99960	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	147.029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75669	14.9
57.02750	15.6
59.01225	17.2
59.21157	14.2
67.02905	13.6
69.52689	32.8
69.53098	100.0
72.99175	37.2
75.00749	29.7
83.01423	16.2
120.11801	17.7
129.34793	17.1
147.04408	58.5
148.05000	33.0
154.23590	17.0
167.94014	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	147.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01324	31.1
66.10416	11.8
70.73405	28.4
97.58292	8.6
98.20467	15.0
100.86514	11.9
105.04411	12.1
106.03993	23.4
115.94909	10.9
119.04903	37.0
120.01910	14.5
147.01936	11.2
147.04428	100.0
148.04993	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88265	0.7
53.43999	0.8
57.03328	8.1
58.43747	0.8
59.01246	4.5
69.71111	3.1
69.71534	2.2
71.01256	5.5
71.04895	100.0
72.05228	4.2
72.99188	2.0
73.02842	2.3
73.06450	9.5
75.00766	1.5
83.04898	11.6
85.02831	15.2
87.00758	17.2
88.31659	0.8
96.89202	0.7
99.00755	1.1
99.04404	4.5
101.02338	2.0
101.05968	89.6
102.06306	4.7
103.03904	3.2
103.05862	1.0
105.23743	0.8
117.05462	1.3
129.01834	6.7
129.05457	1.6
145.05022	2.0
147.02939	2.5
147.06544	48.9
148.06865	2.9
152.03836	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00196	37.0
58.00466	5.4
59.01244	11.4
68.99692	11.8
69.03341	3.9
70.74522	9.6
70.99487	5.3
71.01255	59.2
71.04893	5.8
72.01579	3.5
72.99191	5.1
77.52545	2.7
79.98913	4.0
80.99677	7.7
81.03334	5.6
85.02825	6.0
87.00764	17.3
94.12730	2.9
96.99201	49.4
97.02795	3.7
97.06462	3.7
99.04391	8.6
112.98689	54.8
124.98706	96.6
125.99040	6.4
140.98169	7.5
142.98637	5.1
142.99765	100.0
143.07014	10.6
144.00107	6.5
144.04520	5.3
158.99245	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	145.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	8.4
59.01248	30.3
66.75249	6.3
70.28542	7.1
71.01256	54.9
71.55782	8.8
72.99189	17.3
73.02829	14.8
74.02363	10.0
77.89938	6.4
83.01254	21.1
83.04910	7.4
87.00758	47.2
99.00751	11.0
101.02318	31.4
102.05498	100.0
104.60356	6.2
115.00253	36.3
127.00249	13.5
128.02588	6.2
128.03418	40.9
136.36055	6.6
145.01286	16.0
145.04968	7.1
146.02409	10.1
146.04465	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	145.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	8.4
59.01248	30.3
66.75249	6.3
70.28542	7.1
71.01256	54.9
71.55782	8.8
72.99189	17.3
73.02829	14.8
74.02363	10.0
77.89938	6.4
83.01254	21.1
83.04910	7.4
87.00758	47.2
99.00751	11.0
101.02318	31.4
102.05498	100.0
104.60356	6.2
115.00253	36.3
127.00249	13.5
128.02588	6.2
128.03418	40.9
136.36055	6.6
145.01286	16.0
145.04968	7.1
146.02409	10.1
146.04465	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	147.029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28813	5.2
57.03314	15.3
59.01246	26.1
59.51252	5.3
70.48615	19.3
70.53293	5.3
71.01257	100.0
71.04897	51.6
72.99186	46.8
75.00740	20.1
83.04895	22.5
85.02814	36.2
87.00747	25.0
96.02795	7.3
99.00758	19.1
99.83813	7.0
101.02348	7.8
101.05978	39.1
103.03881	11.9
121.02831	5.6
129.01839	31.3
147.02834	14.0
147.04427	7.5
147.06544	30.2
148.07584	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	139.0028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57497	0.9
53.53564	0.9
55.01759	4.1
60.87878	0.7
61.84692	0.7
65.00204	6.4
67.01765	31.4
68.01288	2.0
68.97720	0.7
68.99693	7.7
69.03333	1.3
71.01263	1.5
71.56419	1.2
80.58519	0.7
83.01265	10.1
83.02403	1.3
85.02836	1.0
86.44609	0.8
93.03331	1.8
95.01263	13.1
95.04904	0.9
98.02357	0.9
111.00770	100.0
112.01101	4.6
124.01591	2.0
136.98723	3.6
139.00279	66.5
139.03920	3.6
140.01065	38.8
140.07068	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	139.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	19.3
67.01774	34.8
68.99698	12.4
69.03334	12.2
71.04883	8.4
83.01275	11.4
84.84806	5.3
88.04468	5.3
95.04930	5.5
95.88760	5.1
111.00761	100.0
111.04448	5.3
138.88902	9.2
139.00238	35.9
139.03914	16.1
139.07535	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	11.9
55.35449	2.2
57.03326	27.6
58.75405	2.4
67.01759	15.0
68.01291	2.5
68.99693	24.0
69.03329	77.1
71.01254	57.5
71.48758	4.0
72.32755	2.1
72.99175	7.7
73.02818	16.8
78.95789	5.4
79.01774	5.5
79.13650	2.4
83.01258	15.9
84.02053	2.8
85.02827	70.3
86.03162	4.1
95.01264	87.2
96.01593	2.6
96.71064	2.9
97.02831	41.8
98.02338	2.4
98.03134	2.9
99.00760	100.0
99.19146	2.6
101.02840	2.3
111.00755	10.4
112.98691	46.4
113.02319	20.8
123.00774	65.0
124.01134	3.4
125.02358	3.9
130.25285	2.4
140.01042	4.2
140.98199	24.1
141.00787	4.7
141.01848	83.1
142.01245	3.5
142.02251	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	142.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73469	3.7
53.00201	37.1
53.80753	3.6
58.00465	4.2
59.01236	13.9
61.39018	4.2
68.99690	11.3
69.03331	5.9
70.99485	9.2
71.00891	5.7
71.01254	66.2
72.01539	3.8
72.99172	7.3
73.99248	3.7
80.99716	6.9
85.02818	6.6
87.00767	25.0
96.99193	57.2
97.02821	5.3
99.04414	11.0
112.98688	52.8
115.00226	5.6
124.98702	100.0
125.02309	4.6
128.25771	4.0
140.98228	10.2
142.99767	84.8
143.03380	5.2
147.91396	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	137.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16574	1.3
59.01250	14.3
64.83081	1.3
65.00211	2.8
65.03835	100.0
66.04163	4.8
69.47668	7.1
69.48081	3.2
70.50104	1.3
74.77072	1.3
75.43645	1.1
76.08408	1.5
76.17891	1.1
76.73490	1.1
77.51324	1.4
81.03331	4.8
93.03337	51.4
93.06971	1.6
94.02871	1.9
94.03658	2.6
95.04912	1.6
99.92460	5.1
108.02030	9.9
109.02840	4.5
136.01561	3.8
136.86176	2.4
136.89067	62.7
137.02350	31.4
137.03339	0.9
137.05978	3.5
137.89064	4.4
138.01857	7.3
138.02773	2.0
139.32774	1.4
143.52193	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	138.0187
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
50.77962	0.3
55.01754	0.4
55.37637	0.3
65.99723	0.3
66.69827	0.2
67.01752	0.9
68.01293	0.3
85.99121	0.3
93.03297	0.3
94.02870	0.5
94.03671	0.8
94.15645	0.3
95.01270	0.7
98.20592	0.9
108.02055	98.2
109.02389	6.0
111.00786	3.1
138.01872	100.0
139.00348	1.7
139.01160	0.4
139.02243	6.2
139.03902	0.5
139.05081	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0395
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56219	2.0
78.95786	2.8
81.03344	2.8
90.17139	1.5
92.04937	100.0
93.03340	94.1
93.05277	5.4
94.02856	9.5
102.13817	1.5
106.03986	1.7
108.02055	10.7
109.02844	8.2
136.01559	13.8
136.03934	14.7
136.04814	3.4
136.93930	8.7
137.02350	53.7
137.03407	2.0
137.05910	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	137.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	13.2
64.11784	2.7
65.00197	4.3
65.03835	100.0
66.04177	6.7
71.13634	8.3
76.91338	3.8
81.03321	12.2
83.04910	6.5
87.43056	3.3
93.03337	49.1
94.03668	4.5
99.92464	4.3
108.02026	6.5
109.02872	4.8
118.59801	3.1
136.01582	5.7
136.89082	84.6
137.02353	26.8
137.05968	7.0
137.89063	6.9
138.01697	3.7
150.36313	3.6
158.94067	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	137.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.9
61.19525	0.7
62.39991	0.6
65.00199	4.3
65.03835	28.7
65.99708	1.0
66.04153	1.9
67.01754	1.2
70.14349	1.7
70.14743	1.5
78.95785	1.9
81.03339	4.6
91.01780	1.7
93.03335	100.0
94.02867	5.1
94.03652	6.8
99.92456	4.5
100.92429	0.9
108.02055	17.8
109.02847	9.2
110.02382	1.0
116.35139	0.7
119.01278	0.8
119.15472	0.7
122.03718	0.8
123.03158	1.6
125.98212	0.7
136.01575	9.3
136.86223	3.4
136.89072	59.3
137.02350	62.7
137.05948	2.5
137.89053	4.8
138.01852	13.8
138.02724	3.8
138.05476	1.5
142.66707	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43642	0.5
55.01759	0.6
59.01251	7.4
63.30288	0.5
64.01804	0.9
65.01312	1.2
65.99726	1.2
69.58451	4.5
71.01259	6.1
72.99181	16.5
73.01674	0.8
73.02819	0.7
75.00746	100.0
76.01093	2.3
85.02828	1.1
86.10548	0.6
87.00729	3.2
89.02285	2.7
92.04946	3.7
93.03333	1.8
94.02878	0.7
106.04049	0.9
107.04901	2.8
108.02069	3.2
108.04444	0.9
117.00669	0.8
117.01810	1.6
134.03632	3.6
134.89362	4.3
135.01942	0.8
135.02888	14.3
135.04413	14.9
135.97009	0.6
136.01523	1.9
136.03911	1.2
136.04782	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97807	0.9
57.03328	1.8
59.01255	7.2
65.01308	2.7
71.01256	100.0
71.26328	1.9
71.26646	1.5
72.01584	4.1
72.99183	41.4
75.00744	8.4
80.96381	1.5
83.54862	1.1
87.00742	3.4
87.04395	3.2
89.02311	6.5
89.04266	1.6
107.03533	1.4
115.00263	77.9
116.00594	4.7
133.01331	11.4
133.04967	11.2
134.02448	2.2
134.03496	4.7
134.04613	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	133.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.9
63.05634	0.8
70.36287	0.8
71.01254	100.0
71.20044	1.5
72.01583	2.5
72.99182	27.7
73.29365	0.7
73.99513	0.9
79.64522	0.8
81.35617	0.7
87.00757	2.0
89.02312	7.3
96.90282	0.7
115.00259	95.0
116.00588	4.0
120.95703	0.7
133.01328	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	133.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31187	0.5
53.38671	0.5
57.03330	1.2
59.01254	1.9
69.81172	2.8
71.01257	98.6
72.01588	3.2
72.99184	27.3
73.99540	0.5
87.00758	1.8
87.04394	2.0
89.02322	9.9
115.00261	100.0
116.00603	5.2
126.41807	0.5
133.01332	17.0
133.04979	0.6
134.01686	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	2.3
59.14066	1.2
69.70396	8.2
71.01254	84.6
72.01620	2.4
72.21970	1.3
72.99184	20.3
83.38794	1.2
87.00774	1.5
89.02309	8.1
94.76877	1.3
115.00260	100.0
116.00572	4.3
133.01332	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	131.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90128	0.4
65.01308	1.2
66.74119	0.4
67.02892	0.9
69.03328	14.6
70.67570	0.4
71.37310	1.1
72.99192	0.6
73.02809	0.5
78.00849	0.5
85.02847	1.2
85.06464	100.0
86.06796	5.0
87.04390	1.3
89.01344	1.3
90.00854	0.6
91.02892	1.0
113.05991	2.8
129.05478	1.5
130.02708	0.6
131.03525	4.0
131.07039	29.0
132.05630	0.6
132.07388	1.5
144.11815	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	14.5
57.03326	39.0
58.02861	7.8
58.07952	4.8
59.01237	10.9
65.01334	7.0
67.01761	91.4
68.99692	58.3
69.91784	30.3
71.01253	34.2
71.86796	5.0
72.99168	31.8
73.02813	15.0
83.01259	12.1
83.04883	4.4
85.02822	31.3
85.06508	4.9
87.00767	19.8
88.03922	22.7
93.63568	5.2
96.83746	4.9
99.00761	21.5
101.02311	6.4
111.00780	11.6
129.01840	62.9
130.04031	26.0
130.08624	100.0
145.07314	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	129.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	12.6
57.03332	41.7
57.08309	3.5
59.38338	4.0
64.28908	4.2
67.01766	100.0
68.99686	15.5
69.64918	24.9
71.01258	24.7
72.99187	17.4
73.02800	4.4
74.95056	3.5
74.96216	3.7
83.01256	10.1
83.04899	5.2
85.02822	39.0
85.06480	3.9
87.00747	11.4
88.03918	13.2
99.00757	6.0
101.02325	11.2
111.00777	4.7
128.90018	6.6
129.01837	32.7
129.05513	23.1
129.07419	5.2
130.08607	6.2
142.60851	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	124.015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68559	2.8
50.93943	2.7
52.34172	2.4
64.42412	2.8
65.00212	7.5
65.99731	3.3
66.64398	2.4
67.01784	2.8
67.02892	5.2
68.01245	3.6
68.20218	2.5
69.03326	28.2
70.81617	9.3
81.03304	3.0
82.02850	4.0
82.03995	6.7
83.01248	5.7
85.33251	2.5
94.02855	3.6
94.09602	2.8
95.01282	10.6
96.01608	5.6
96.99250	6.8
97.02824	25.5
98.32291	2.6
123.00768	25.3
124.01551	37.9
124.03929	6.7
124.04993	3.5
124.98758	3.2
125.02350	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	129.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61322	4.7
55.01754	25.1
55.70028	5.3
57.03321	51.4
59.01243	19.7
62.78230	5.8
67.01762	74.8
68.99693	87.2
71.01253	62.8
71.56249	8.5
71.56656	9.3
72.99187	100.0
73.02808	39.3
83.01248	23.2
85.02828	30.2
87.00755	53.7
99.00761	38.8
101.02337	11.8
111.00769	30.0
122.92166	5.8
129.01831	59.9
130.03955	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	129.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	6.4
57.03326	19.8
58.03645	2.1
60.56073	2.0
67.01769	33.8
68.99696	12.4
69.65282	9.7
69.65692	5.0
71.01255	16.0
72.99192	7.6
73.02831	2.4
83.01289	3.9
83.04899	9.4
85.02815	15.5
87.00755	5.3
87.07983	1.7
88.03918	6.2
89.72748	2.0
99.04430	3.0
100.34213	2.0
101.02295	3.7
108.21403	1.9
111.00791	3.0
111.04401	2.2
129.01822	11.5
129.05475	100.0
130.04001	8.8
130.05807	5.1
130.08652	7.9
141.45009	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	1189.6524
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01275	1.4
83.04900	3.6
84.02052	0.3
85.02822	2.5
87.00751	2.8
88.08152	0.2
88.93549	0.2
89.02317	5.7
91.03888	0.2
93.03358	0.2
95.01253	1.1
95.04912	0.7
97.02824	2.4
97.06483	0.3
98.20538	0.6
99.00760	0.9
101.02322	9.2
109.02853	0.3
109.06482	0.3
111.00764	0.2
111.04398	0.4
113.02332	5.7
115.03880	0.3
119.03384	2.3
121.10114	0.8
125.02337	5.2
125.05965	0.5
127.03970	0.2
131.03409	0.5
133.05026	0.3
135.08121	0.4
139.03897	0.5
141.01822	0.3
143.03397	2.0
147.11697	0.3
149.04482	0.3
155.07033	0.4
157.04918	0.2
157.14294	0.2
161.04465	2.8
163.11200	3.6
164.11404	0.2
165.09120	0.8
165.12781	2.2
167.03355	0.6
169.01360	0.4
179.05544	4.0
181.04959	0.3
181.12268	0.5
191.10738	1.0
199.06061	0.6
209.11769	100.0
210.12109	3.0
217.07137	1.1
219.05118	0.3
221.06618	1.3
227.12851	10.3
228.13309	0.3
233.11765	0.2
235.08168	4.5
245.06525	0.3
251.12918	0.7
253.09291	1.0
253.11584	0.2
254.26973	0.2
259.08310	0.9
263.07687	0.3
277.21716	42.4
278.22076	2.2
287.07751	1.9
291.23349	0.3
299.99146	0.3
300.99884	1.2
301.09448	0.2
302.00223	0.5
305.08749	2.2
306.08960	0.2
323.09741	1.4
334.16858	0.2
361.11456	0.4
379.12454	10.1
380.12683	0.5
397.13489	43.0
398.13760	1.8
415.14597	9.6
416.15079	0.4
497.20203	0.3
531.31622	0.2
589.24969	2.3
607.26172	3.4
608.26123	0.3
657.35168	0.9
675.35724	1.3
885.48566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95238	5.3
68.99712	8.0
69.38744	54.2
70.10842	5.0
95.01269	100.0
123.00775	41.8
123.04453	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	1189.6523
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01268	1.3
83.04899	3.9
83.09262	0.5
85.02822	4.2
87.00746	3.9
89.02318	8.2
95.01282	1.8
95.04900	0.9
97.02802	3.1
99.00775	1.1
101.02322	12.2
101.02996	0.7
104.03845	0.6
109.06486	1.1
112.07716	0.5
113.02345	7.9
119.03411	2.8
121.10120	1.1
125.02331	7.7
127.78743	0.5
131.03316	0.7
133.04961	0.7
135.08084	1.0
138.25833	0.5
141.01825	0.6
143.03433	3.0
161.04489	4.3
163.11214	5.6
165.09132	3.7
165.12747	2.1
169.01421	1.1
179.05548	4.5
181.12317	0.9
185.04475	0.5
191.10709	0.7
198.05490	0.6
199.13297	1.9
207.10133	3.0
208.10536	1.0
209.11771	100.0
210.12166	2.9
211.13431	0.8
217.07109	0.8
221.06667	1.7
225.11270	8.6
226.11624	3.6
227.12852	23.2
235.08156	6.6
245.06647	0.7
251.12814	1.0
253.09349	1.7
259.08194	0.7
263.07858	0.8
277.21716	50.2
278.22098	4.2
287.07742	2.2
293.21121	1.0
299.98993	0.6
300.99850	1.8
301.03415	1.2
305.08713	2.7
323.09808	1.6
379.12469	12.4
397.13495	52.5
398.13635	3.6
399.14185	0.7
415.14542	11.2
416.14462	1.2
589.24915	2.3
606.24878	0.9
607.26202	6.3
624.25372	1.0
625.27094	1.5
657.33978	0.9
675.36121	2.0
883.47485	0.8
884.47418	3.9
885.48285	6.6
908.14392	0.6
1000.43536	0.6
1189.51599	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1189.6524
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01256	1.4
83.04904	3.6
84.02001	0.2
85.02824	3.3
85.03298	0.4
87.00758	3.4
89.02319	9.3
91.03886	0.3
92.01656	0.2
93.03349	0.4
95.01253	1.1
95.04905	0.9
97.02839	2.8
97.06467	0.2
98.19760	0.6
99.00766	0.9
99.04369	0.3
101.02323	11.5
102.18124	0.2
109.06484	0.2
111.00759	0.3
111.04406	0.8
113.02335	7.1
113.43867	0.2
119.03405	2.7
121.02836	0.4
121.10113	0.7
123.00774	0.3
125.01439	0.4
125.02343	6.0
125.05975	0.6
126.02677	0.2
127.03912	0.3
131.03389	0.5
133.04939	0.4
135.08046	0.5
137.02359	0.3
139.03886	0.6
141.01826	0.3
143.03413	2.3
147.11736	0.2
149.02390	0.2
149.04459	0.2
149.39961	0.2
161.04465	3.2
163.11198	3.3
165.09109	0.5
165.12790	2.1
167.03418	0.5
179.05539	3.2
181.12296	0.4
185.04422	0.3
191.10736	1.0
199.06003	0.5
203.05589	0.3
209.11772	100.0
210.12091	3.0
217.07137	0.9
219.04951	0.3
221.06598	1.4
227.12839	13.4
228.13229	0.3
229.72780	0.3
232.36691	0.2
235.08200	6.7
245.06618	0.5
251.12845	0.6
253.09369	1.1
259.08289	0.6
263.07648	0.6
277.21719	55.7
278.22134	2.1
287.07748	2.2
289.51318	0.2
291.23364	0.4
300.99683	0.2
301.09180	0.4
305.08801	2.3
323.09836	1.4
361.11401	0.4
379.12476	10.0
380.13116	0.4
397.13501	50.0
398.13928	1.5
415.14572	10.8
416.14795	0.4
589.25220	1.7
607.26312	2.0
657.34839	1.0
675.36121	2.6
964.04425	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1189.6521
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01249	1.0
83.04887	0.5
85.02824	2.0
87.00747	2.8
87.25809	0.2
89.02315	3.0
91.03864	0.3
93.03317	0.3
95.01242	0.7
95.04904	0.5
97.02826	5.9
97.03480	0.4
97.06471	1.1
97.28089	0.2
98.45365	0.2
99.00754	10.0
99.08033	0.4
100.66781	0.3
101.02325	4.8
101.02979	0.3
106.56242	0.2
107.04865	0.3
108.22113	0.2
109.02826	0.3
109.06477	3.8
110.03623	1.0
111.00774	0.4
111.04416	0.5
113.02335	3.6
119.03384	0.8
121.06522	0.3
123.00790	0.4
123.04460	0.3
123.08070	0.5
124.01441	0.2
125.02323	3.4
125.09612	3.1
131.03343	0.3
135.08028	1.2
136.05211	0.7
137.05963	1.1
139.03923	0.3
141.01822	0.4
142.02634	1.3
143.03383	0.9
145.10107	0.3
149.04478	0.3
155.07030	0.8
161.04456	1.4
161.09616	0.6
163.11188	5.9
167.10677	4.3
179.05473	1.4
179.10706	0.6
181.12257	6.8
182.12611	0.3
189.09055	0.6
197.11769	0.3
199.13275	1.1
203.05428	0.2
207.10197	35.1
208.10571	1.2
209.11751	1.0
217.07115	0.3
225.11269	42.0
226.11629	0.7
230.32111	0.3
233.22801	0.3
235.08165	2.3
239.83769	0.2
243.12349	13.4
244.12575	0.3
253.09314	0.4
259.08548	0.2
263.07755	1.2
267.12411	0.4
277.21713	26.9
278.22073	1.0
287.07523	0.5
299.15015	0.4
301.00192	0.3
305.08704	0.7
317.16025	0.6
323.09851	0.5
324.76785	0.3
338.04013	0.2
377.60626	0.3
379.12460	2.2
397.13483	10.2
398.13733	0.3
405.17715	0.4
415.14499	2.5
443.19427	0.3
461.20016	0.4
577.37006	0.3
587.23572	0.6
605.24518	13.0
606.24786	0.8
623.25610	7.3
624.25848	0.4
657.34314	0.4
675.36066	0.7
721.42029	0.5
739.42877	0.3
865.45001	1.2
883.46942	100.0
884.47260	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	1189.6522
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01263	1.9
83.04914	1.7
85.02820	4.6
87.00760	3.3
89.02316	7.9
93.03337	0.9
93.06950	0.4
95.01251	1.7
95.04897	0.4
97.02829	9.3
97.06516	0.5
99.00766	1.9
101.02324	12.4
107.04931	1.0
109.06480	25.9
110.03605	1.1
111.00755	1.0
111.04443	0.7
113.02332	6.6
119.03405	2.5
121.06490	1.4
123.04388	1.0
124.01579	0.6
125.02334	5.9
125.09660	0.5
131.03423	1.0
135.08063	2.9
136.05219	1.5
137.02287	0.5
137.06007	1.4
139.03935	0.5
142.02646	2.4
143.03395	2.9
151.07576	0.5
152.99539	0.5
155.07054	0.7
161.04466	2.9
161.09653	1.4
163.11203	14.7
164.11514	0.5
166.23257	0.5
167.10696	5.1
179.05493	4.1
179.10667	1.1
181.12291	4.2
189.09122	2.4
207.10207	84.0
208.10565	2.6
209.11748	3.5
221.06613	2.8
225.11281	42.6
226.11636	1.2
235.08206	5.7
235.90819	0.5
243.12325	2.0
249.11235	0.4
253.09283	0.7
259.08160	0.7
263.07825	0.6
277.21732	39.1
278.22040	1.6
281.13940	1.1
287.07736	2.0
299.15018	2.0
301.00006	0.5
305.08759	1.6
323.09915	1.1
324.40540	0.4
379.12521	6.1
397.13519	37.0
398.13901	1.6
414.80777	0.5
415.14572	11.6
416.15042	0.7
441.34100	1.0
443.19025	1.3
461.20197	0.7
478.29214	0.7
544.95374	0.5
587.23370	2.9
605.24469	10.3
606.25012	0.7
623.25574	11.8
624.26117	0.9
657.34845	0.5
675.35681	0.7
865.45715	4.3
866.44562	0.7
883.46979	100.0
884.47327	11.3
1139.66907	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1185.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
85.14074	0.3
96.95896	0.4
120.37177	0.3
121.02871	0.4
123.00732	0.3
125.02314	0.8
134.05901	0.4
137.02365	0.7
139.79893	0.3
149.02335	0.6
150.03136	0.5
161.02347	0.6
165.01779	0.6
165.05464	0.6
169.01372	0.4
174.03172	0.4
177.01784	1.5
181.05046	0.5
185.02399	0.4
187.03873	0.5
189.01881	0.8
190.02608	1.8
191.03229	0.3
193.01344	3.7
195.04517	0.4
195.06459	0.5
200.01021	0.9
201.01855	0.7
202.02635	1.7
203.03456	0.6
205.01410	0.5
209.05881	0.4
209.11794	0.4
211.03976	0.4
212.04788	0.4
213.01962	0.6
214.02615	0.8
215.03412	0.8
216.04210	0.6
217.01418	0.5
218.02127	2.5
221.00862	6.2
222.01587	0.6
223.04124	0.4
225.05629	0.8
227.03413	1.7
227.10915	0.4
228.00571	1.9
229.01311	1.2
230.02173	1.4
230.99339	0.5
231.02875	1.0
239.03545	0.4
240.04259	0.6
241.01360	0.5
241.04971	0.6
242.02209	2.0
243.02907	1.2
244.03868	0.4
245.00943	1.5
246.01582	0.7
249.05533	0.4
250.02878	0.3
251.03264	0.3
252.04340	0.5
253.01628	0.3
253.05051	1.2
253.08882	0.4
254.02280	0.7
255.02925	0.9
255.10367	0.5
256.00165	0.4
256.03717	0.6
257.00961	2.4
258.01709	2.2
259.02472	1.6
263.03265	0.5
265.04962	0.4
265.08737	0.8
266.82443	0.4
267.02917	0.5
267.06708	0.4
268.03787	0.4
269.00702	0.7
269.03931	0.4
270.01703	0.5
271.02518	1.4
271.09705	0.9
273.00385	2.5
274.01190	30.0
275.01520	1.5
277.05057	0.5
279.03033	2.1
280.03775	1.2
281.04510	1.8
281.08154	1.0
282.01898	0.7
282.05093	0.6
283.02457	2.0
283.09793	1.3
284.03214	2.4
285.00369	0.9
285.03525	0.4
286.01126	0.7
287.01862	2.4
288.02713	0.6
293.04495	1.0
293.07935	0.4
294.05078	0.4
295.06216	0.4
296.24536	0.3
297.03958	0.8
298.04584	0.5
299.02002	5.0
299.09259	1.0
299.99283	0.6
300.02747	2.4
300.99814	1.0
301.03131	0.4
307.02585	0.4
308.03287	1.6
309.04059	1.5
309.07730	4.1
311.01920	0.5
311.09274	1.0
312.02722	2.9
322.04800	0.7
323.05759	0.7
325.03589	3.5
326.04169	1.7
327.08698	1.3
337.07150	5.6
338.07825	1.7
340.06036	0.8
355.08228	100.0
356.08597	5.6
399.07211	60.0
400.07428	2.9
691.71191	0.3
753.27740	1.2
785.30371	1.9
1185.43262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74093	3.4
59.01236	4.6
69.83371	17.5
71.01258	3.4
71.04874	4.0
73.02819	96.4
78.05283	3.5
90.00835	3.4
98.20516	7.1
99.00732	8.1
99.92461	42.5
100.92459	3.4
116.92744	100.0
117.01857	9.5
117.92744	11.5
118.02871	4.9
118.03979	5.8
118.82394	3.1
130.77171	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	117.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74093	3.4
59.01236	4.6
69.83371	17.5
71.01258	3.4
71.04874	4.0
73.02819	96.4
78.05283	3.5
90.00835	3.4
98.20516	7.1
99.00732	8.1
99.92461	42.5
100.92459	3.4
116.92744	100.0
117.01857	9.5
117.92744	11.5
118.02871	4.9
118.03979	5.8
118.82394	3.1
130.77171	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	1185.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01258	3.3
84.01542	0.1
87.13899	0.1
91.01764	0.3
93.03339	2.1
95.01263	0.5
107.01273	11.7
108.02125	0.2
108.99270	0.1
109.02840	2.6
111.00775	0.2
113.02339	0.1
117.03329	0.2
119.01255	0.4
121.02847	8.6
122.03175	0.1
123.00777	0.6
124.01582	0.2
125.02327	1.4
125.61427	0.1
131.04956	0.1
133.02867	0.1
135.00777	0.5
136.01587	0.1
136.79164	0.1
137.02347	0.2
139.00261	0.1
139.03934	0.6
143.04936	0.3
145.02834	0.2
146.03659	0.1
147.00783	0.2
147.04407	0.2
148.01599	0.3
149.02353	1.5
151.00278	36.8
152.00595	0.6
152.18919	0.1
153.01892	0.2
155.04913	0.2
157.06499	0.3
158.03654	0.1
159.04434	1.0
161.02368	0.6
161.06001	0.3
162.03094	0.1
163.00288	3.0
163.03857	0.5
164.01067	0.7
165.01868	0.5
167.04956	0.4
168.00511	0.2
169.01346	5.1
171.04373	0.3
173.02344	0.1
173.05991	0.3
174.03166	0.1
175.03987	0.4
178.99786	16.9
180.00148	0.4
183.04489	0.8
185.02382	0.1
185.06000	1.0
187.03943	1.3
189.02000	0.2
189.05498	0.4
190.99744	0.3
192.00536	0.4
193.01358	1.0
195.04465	0.2
197.05923	0.2
198.03101	0.1
199.03944	0.3
200.04547	0.1
201.05513	1.0
203.03419	0.5
205.02771	0.1
205.04999	0.3
211.03954	1.6
212.04616	0.3
213.01863	0.3
213.05435	0.6
214.02635	0.2
215.03403	0.3
217.04945	0.1
226.02640	0.2
227.03452	1.8
228.04166	0.3
229.01477	0.1
229.04993	2.7
230.02240	0.2
230.05263	0.1
231.02977	0.3
239.03398	0.7
240.04248	0.4
241.04947	0.2
243.03011	0.7
245.04510	2.3
255.02977	3.3
256.03665	0.5
257.04550	1.8
266.02203	0.2
271.02496	1.4
273.04059	2.6
274.04272	0.1
283.02011	1.0
283.04694	0.6
284.03177	0.4
285.04050	14.9
286.04440	0.6
299.01968	0.3
299.99112	0.4
300.02753	1.6
301.03525	100.0
302.03876	4.6
313.05634	1.9
314.06097	0.1
322.38171	0.1
377.01556	0.2
433.07693	0.5
439.08688	0.2
487.71335	0.1
585.08856	45.6
586.09167	3.7
586.18549	0.2
599.10504	2.3
600.10699	0.1
655.77704	0.1
834.28619	0.1
1170.28027	0.1
1185.33948	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1166.119
Annotation	Unknow
Peak:m/z	Relative Intensity
95.01250	6.1
111.00775	2.3
123.00732	2.8
137.02335	2.1
145.02853	3.3
146.72542	1.6
147.48294	1.7
157.02823	2.2
159.04391	1.9
161.02344	2.0
163.00256	3.2
164.98216	4.4
169.01358	2.5
173.02327	3.2
177.01837	2.2
185.02411	3.2
189.01891	4.0
191.03389	2.6
193.01349	2.8
200.01131	2.0
201.01884	5.8
203.03413	4.8
209.00948	2.7
214.99945	2.4
217.01396	4.3
219.02840	2.0
229.01366	10.5
230.79517	3.0
231.02983	4.1
232.00177	2.4
241.01534	2.2
242.99353	1.9
245.00752	10.0
247.02567	3.6
249.03989	3.0
257.00876	9.6
258.01453	2.4
261.00482	3.6
269.00995	2.6
270.98795	12.7
271.99518	4.1
273.00357	14.9
274.01166	8.3
275.01898	19.8
284.97202	1.6
285.00357	4.1
286.98123	2.3
291.01486	2.6
296.02017	3.4
297.00220	2.5
298.98309	12.8
299.99121	19.2
300.99893	100.0
302.00201	7.6
303.00458	2.7
310.98410	1.8
312.99918	5.0
314.03000	5.2
316.99237	7.4
321.99927	2.4
324.01608	1.9
332.04105	2.2
340.00967	12.5
343.01132	1.9
358.02066	6.3
446.44980	1.6
463.04996	2.8
730.55505	1.8
765.06158	1.9
783.06714	3.9
914.19299	1.9
934.07159	2.4
969.10651	2.1
972.06732	2.2
974.08820	7.6
992.09418	3.0
1108.08533	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	1163.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01266	1.1
83.16232	0.1
85.02816	0.9
87.00729	0.2
91.01783	0.2
93.03330	0.2
95.01257	1.4
97.02833	0.5
99.00768	0.3
101.02341	0.9
107.01269	4.8
108.02045	0.9
109.02813	0.7
110.00020	0.1
111.00774	1.3
113.02335	0.6
121.02826	1.2
123.00774	8.7
124.01604	0.7
125.02339	10.3
126.02644	0.3
127.00271	0.3
132.02055	0.3
133.02841	0.4
134.03612	0.2
135.00760	0.5
135.04416	0.4
136.98703	0.7
137.02321	0.3
139.00273	2.5
140.01070	1.7
141.01860	1.1
143.04955	0.2
145.02898	0.2
147.00769	0.1
148.01546	0.8
149.02315	0.3
151.00275	13.2
152.00671	0.3
153.01825	0.6
155.04935	0.2
159.04391	0.2
160.01563	0.5
161.02382	1.6
163.00290	1.6
163.03935	0.5
164.01042	0.5
165.01814	0.3
166.99792	0.1
168.00557	1.8
169.01340	12.4
170.01648	0.2
171.04396	0.2
173.02237	0.2
175.03931	0.9
177.03960	0.2
178.99785	3.3
179.03391	0.4
181.04962	0.4
183.04411	0.3
185.02303	0.1
187.03947	0.4
190.99750	0.4
191.03363	0.3
192.00560	0.5
193.01346	0.3
193.04951	0.4
198.03075	0.3
199.03935	1.0
201.01854	0.2
201.05469	0.3
202.02539	0.2
203.03477	0.4
209.15463	0.3
210.03101	0.2
211.02325	0.4
211.03947	0.8
213.01845	0.2
214.02609	0.1
215.03496	0.6
216.04173	0.5
223.02441	0.2
226.02679	1.3
227.03465	2.7
228.04005	0.3
229.01428	0.3
229.04967	0.5
233.04695	0.2
239.03461	0.2
243.02957	8.4
244.03473	0.7
245.04454	0.7
254.02173	1.7
255.02968	21.4
256.03418	1.1
271.02466	47.1
272.03027	3.1
273.00977	0.1
273.03836	0.7
283.02460	0.7
299.02066	1.8
300.02734	73.9
301.03467	24.1
302.03851	0.9
313.05774	1.1
314.04282	0.8
315.05078	2.0
323.07776	0.5
343.04431	0.4
424.21738	0.1
463.08838	19.4
464.09100	1.1
477.10330	0.9
523.21820	82.9
524.14252	0.3
524.22180	7.4
639.13519	100.0
640.13873	10.5
641.16150	0.1
843.46375	0.2
1182.63171	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1157.7722
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02792	0.5
85.06483	0.3
87.04390	9.7
95.04900	0.8
101.05961	5.9
113.05971	0.2
114.48669	0.2
115.54940	0.2
122.66703	0.2
143.07018	0.6
165.09100	0.2
209.11668	0.3
279.23276	0.4
281.13687	0.2
297.22446	0.5
297.25836	0.3
313.25284	3.2
315.26895	0.5
325.25305	0.7
327.26990	0.5
329.28433	1.7
337.25504	0.3
341.28418	1.9
353.28363	1.4
355.26428	0.8
355.30304	0.5
357.31659	2.9
359.33145	1.2
369.28131	0.4
369.31754	2.6
370.31766	0.3
371.29535	4.4
372.29703	0.4
373.27609	0.4
385.31039	3.2
387.28354	0.3
387.32758	3.7
388.33218	0.4
389.30322	0.3
393.31635	0.4
401.34253	5.2
402.34567	0.3
409.34631	1.2
411.32709	0.9
427.35989	1.3
429.33804	1.9
431.31418	0.3
445.36844	12.6
446.37170	0.7
471.34830	0.3
484.26364	0.3
489.35855	100.0
490.36182	6.0
623.20715	0.3
815.46155	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1157.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01270	0.4
88.81721	0.4
95.01246	0.5
107.01270	3.3
108.02068	0.8
109.02859	0.6
121.02824	1.2
123.00790	0.8
125.02336	6.8
148.01643	0.5
149.50603	0.4
151.00284	7.1
152.00743	0.4
163.00302	2.2
169.01335	8.5
178.99771	3.8
187.03928	0.8
192.00557	0.8
211.04073	0.8
215.03470	0.6
219.82910	0.5
226.02594	1.0
227.03459	1.5
229.04930	0.5
243.02962	4.5
254.02148	1.1
255.00237	1.0
255.02951	17.8
256.03400	1.2
271.02469	31.5
272.03058	2.1
273.03964	0.6
275.37802	0.5
283.02463	1.3
299.01974	1.4
300.02737	68.3
301.03497	34.2
302.03824	1.6
313.05725	2.0
342.91440	0.4
343.04388	0.5
407.57690	0.4
463.08817	17.7
464.09045	1.3
516.39984	0.4
516.81207	0.5
615.09894	100.0
616.00610	0.5
616.10370	8.9
720.57941	0.5
975.26245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09844	1.5
53.60221	1.9
59.01256	3.2
69.55209	12.9
69.55611	4.3
71.01257	100.0
72.01580	3.0
76.61916	1.9
77.86724	1.6
80.94033	1.7
85.59738	1.8
87.00759	3.3
115.00256	8.4
115.03889	13.8
116.07048	3.7
128.45895	1.9
131.26106	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	1155.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
81.58183	0.4
83.01268	3.0
93.03327	1.4
94.29168	0.3
95.01237	0.6
103.25496	0.3
107.01273	8.9
109.02859	2.0
118.26693	0.3
121.02849	7.7
123.00724	0.4
123.67536	0.3
125.02341	1.6
128.32759	0.3
137.02309	0.3
139.03920	0.6
147.04404	0.4
148.01532	0.4
149.02361	1.4
151.00279	34.6
152.00668	0.7
156.43489	0.3
159.04420	0.9
161.02354	0.4
163.00301	1.8
163.03813	0.3
164.01070	0.4
164.53723	0.3
165.01915	0.4
169.01352	4.9
170.58383	0.4
173.02467	0.4
178.98204	0.8
178.99791	16.3
180.00143	0.5
183.04407	0.4
187.03972	0.9
189.01956	0.4
193.01262	0.6
201.01772	0.4
201.05493	0.9
203.03462	0.4
211.04021	0.7
227.03496	0.8
229.04985	1.0
230.01830	0.4
243.02841	0.4
245.04538	1.6
255.03035	1.7
256.03381	0.4
257.04407	0.5
262.13037	0.3
271.02298	1.5
273.01089	0.5
273.04053	2.8
275.01877	0.4
283.02481	0.6
298.98285	0.4
299.99234	0.8
300.02744	2.4
301.03519	100.0
302.00479	0.7
302.03824	3.7
313.05511	1.9
347.00513	0.8
444.31497	0.4
463.08652	1.5
539.21362	0.5
597.60840	0.4
615.09900	41.2
616.10406	3.2
1188.05249	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1141.6664
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04875	0.3
85.02805	0.6
89.02322	1.7
93.06994	0.8
101.02327	2.8
105.90547	0.4
109.06470	0.4
111.08041	8.3
113.02325	1.6
119.03359	0.5
121.10118	9.7
121.40481	0.3
125.02313	0.5
127.07550	0.6
136.95480	0.4
137.05975	1.4
137.78453	0.4
145.04979	0.5
151.11217	0.5
153.09099	0.5
153.12749	0.8
155.07054	3.0
161.04411	1.6
165.09126	16.4
165.12827	0.4
166.09453	0.5
169.01334	0.5
169.12268	4.1
178.17563	0.3
179.10710	0.6
181.12279	1.7
183.13882	0.9
186.44868	0.3
193.12294	0.5
197.11765	48.4
198.12085	2.1
199.13322	2.5
209.11658	0.5
211.11449	0.7
211.13329	8.6
212.13861	0.4
216.92993	0.3
227.12849	1.6
229.19449	0.5
235.08249	2.3
247.16991	0.5
247.20699	0.5
253.09274	22.4
254.09621	0.5
263.20181	3.5
265.18115	1.2
266.46286	0.4
273.18619	1.2
289.18076	0.5
291.19653	21.6
292.20007	1.8
293.20969	0.4
300.99515	0.6
307.19077	0.6
309.20706	100.0
310.21036	6.2
433.20880	1.8
527.28516	1.4
545.29730	4.5
601.41034	3.4
631.46167	0.4
837.50409	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1148.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
79.64318	1.2
79.73259	1.3
81.12611	1.3
92.99677	1.7
95.01260	9.6
109.02905	1.5
116.05051	1.2
117.03337	1.4
121.02870	1.3
122.13110	1.2
123.00754	2.4
125.02371	3.3
137.02371	1.7
145.02879	3.0
161.02344	4.1
163.00346	6.0
163.03862	2.1
164.98216	7.9
165.01828	1.5
169.01329	2.4
173.02364	3.5
175.03944	2.4
177.01862	2.9
183.69162	1.2
185.02330	3.5
186.32033	1.5
187.00256	1.7
187.03951	2.8
188.01009	1.3
189.01953	5.8
190.02701	3.5
190.99854	2.2
191.03410	4.6
193.01317	1.4
200.01019	2.6
201.01863	7.0
203.03423	4.3
208.02582	1.6
209.00922	2.7
213.01868	4.2
214.99780	2.3
215.03400	1.4
216.00589	2.5
217.01430	7.0
217.03290	1.2
226.99791	1.5
229.01385	11.0
230.01990	1.4
231.02950	4.2
238.01317	1.4
241.01244	2.6
242.99236	2.2
243.02979	2.1
244.00183	3.0
245.00946	14.0
247.02473	11.3
248.03084	1.4
249.04030	4.1
254.99397	1.4
257.00867	11.5
258.01535	1.9
259.02524	2.1
261.00403	2.3
268.02481	1.9
269.00943	3.8
270.98837	8.0
271.99487	3.9
273.00412	18.7
274.01154	10.1
275.01990	22.2
276.02234	1.3
283.99567	4.2
285.00488	5.9
287.01941	3.1
291.01410	3.1
294.00388	2.3
296.02048	2.9
297.00409	3.4
298.98373	9.8
299.99118	35.3
300.99902	100.0
302.00198	5.5
310.98300	2.2
312.01373	2.1
312.99924	8.5
314.03113	3.1
316.99167	2.6
321.99884	4.0
324.01489	3.6
340.00980	15.0
343.00867	3.5
389.66782	1.4
463.05133	2.7
765.05450	3.8
934.06451	3.3
936.05322	1.5
956.07928	2.7
972.05994	4.8
974.08966	9.7
1012.06757	4.7
1048.07654	3.3
1088.07983	5.2
1108.08069	7.9
1148.10669	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	1141.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
92.99699	0.9
93.03358	1.2
95.01264	7.5
111.00773	5.1
117.03344	3.2
119.01216	1.0
121.02816	1.6
123.00753	3.6
125.02354	3.3
129.03444	0.9
131.01250	2.2
133.02837	4.2
134.03308	1.0
135.00697	0.9
135.04478	1.5
137.02390	2.6
139.00255	8.1
145.02870	5.2
147.00815	1.6
147.04366	2.3
149.02377	1.8
151.00223	1.2
154.99750	2.1
157.02809	1.2
159.00777	2.6
161.02361	7.4
163.00262	6.0
163.03885	3.5
164.01047	1.1
164.98172	6.1
165.01852	2.4
169.01292	2.4
171.00858	1.0
173.02368	5.9
175.00287	2.8
175.03923	1.4
176.01089	1.0
177.01862	5.5
178.99792	1.1
182.99208	5.2
183.99933	1.3
185.02335	3.5
187.00250	3.0
187.03964	1.4
188.01099	1.8
189.01881	8.1
190.02588	1.6
190.99777	2.0
191.03429	5.3
192.00494	1.4
193.01295	2.6
193.05052	0.9
194.99352	1.6
200.01141	1.3
201.01910	7.9
202.99786	3.3
203.03461	3.1
204.00377	1.2
205.01372	6.4
207.02905	1.7
209.00861	1.9
213.01877	2.0
214.99731	5.3
215.03412	1.4
216.00490	2.3
217.01344	9.5
218.99179	1.6
219.02876	2.7
221.00797	2.7
224.28473	1.0
226.99765	1.5
228.00526	1.1
229.01382	9.1
230.99318	6.8
231.02951	3.7
231.99973	1.3
233.00838	5.9
233.98083	1.1
235.02405	2.3
242.99245	4.1
243.02945	1.3
243.99916	1.6
245.00854	14.4
247.02489	3.7
249.00485	1.0
249.03993	2.7
255.86945	1.1
257.01025	7.5
258.01617	3.1
258.98892	3.3
259.02402	1.3
259.99667	1.6
261.00385	11.4
263.01898	9.0
269.00931	1.3
270.98792	12.7
271.99475	1.5
273.00385	13.0
274.01102	4.5
274.47446	1.0
275.02002	17.7
276.99963	1.4
283.99716	2.4
285.00406	2.9
286.98352	16.3
287.01688	1.8
288.99918	9.1
290.00229	1.2
291.01447	3.0
298.98322	17.2
299.01526	2.0
299.99008	16.0
300.99890	100.0
302.00089	6.7
304.99335	2.0
307.00732	2.1
310.98322	1.7
313.00021	1.2
314.97830	8.7
315.98322	4.8
316.99347	40.4
317.99686	3.0
331.00876	1.2
332.98825	3.6
343.01041	1.3
364.81317	1.0
433.03912	2.1
445.04147	1.9
451.05270	2.3
463.05508	4.6
469.06134	1.5
473.46994	1.1
479.05096	1.2
603.06653	2.4
615.06403	1.1
735.04456	1.6
753.05286	1.5
765.05890	5.0
783.07428	1.1
803.03680	1.5
903.05048	1.2
921.06378	1.7
939.08069	1.6
939.59479	1.1
949.06085	2.8
1007.10944	1.3
1095.09448	1.2
1108.08374	1.9
1123.08398	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1139.7613
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02520	0.4
81.03325	0.6
83.01264	0.4
83.04902	2.7
84.02068	0.4
85.02821	0.8
87.00743	0.9
89.02316	1.2
94.54166	0.3
101.02305	2.4
101.24908	0.3
113.02335	1.5
119.03386	0.5
145.04936	0.6
161.04480	1.3
163.11194	2.3
165.12744	1.3
181.12314	0.4
191.10709	0.5
209.11769	73.4
210.12122	2.8
227.12840	10.0
230.17216	0.2
235.08195	6.1
239.54352	0.3
253.09262	9.1
254.09702	0.3
259.20541	0.5
277.21713	100.0
278.22055	5.6
393.73947	0.3
415.32483	6.4
416.32480	0.9
427.20047	0.3
445.20657	1.8
513.30524	2.6
923.25818	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1139.7095
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03345	1.9
83.01263	2.8
83.04910	2.3
85.02821	6.0
87.00759	4.3
89.02311	11.7
95.01255	1.6
97.02831	9.0
99.00753	2.5
99.06709	0.8
101.02332	10.5
107.04905	1.3
109.02833	0.9
109.06477	16.0
110.03607	0.9
111.00745	0.8
113.02339	6.6
115.78656	0.8
119.03379	3.6
120.73415	0.9
121.06507	1.4
125.02317	5.1
126.27490	0.8
131.03430	1.0
134.57980	0.8
135.08047	2.4
136.05165	1.2
142.02620	1.2
143.03429	1.0
161.04442	2.4
161.09702	1.3
163.11180	11.9
179.05573	4.3
181.12286	2.4
189.09094	1.9
196.98064	0.8
197.11833	0.9
200.70924	0.8
207.10207	73.2
208.10500	1.9
209.11757	2.6
221.06635	1.5
225.11285	27.1
235.08273	6.3
243.12347	1.2
253.09378	0.9
255.23273	55.0
256.23645	2.8
277.21600	5.8
287.07614	1.1
299.14813	1.2
305.08679	2.4
379.12436	6.6
397.13495	46.9
398.13791	1.6
413.30554	8.3
415.14545	10.3
605.24219	7.0
623.25488	3.5
635.36816	1.3
653.37476	6.1
843.47357	2.7
861.48547	100.0
862.48871	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	1139.5786
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01286	0.1
84.86588	0.1
90.15766	0.1
95.01248	0.2
107.01256	0.4
109.02850	0.2
113.02251	0.1
117.03354	0.2
121.02841	0.3
123.00739	0.3
125.02341	1.5
126.02666	0.2
130.00484	0.2
145.02893	0.2
149.02319	0.2
150.03270	0.2
151.00267	0.9
155.07065	0.2
158.00002	0.2
161.05931	0.2
163.03906	0.2
168.00523	0.3
169.01347	1.9
170.00002	0.1
170.01646	0.3
172.05412	0.2
173.02257	0.2
175.03859	0.2
178.99818	0.3
197.99525	0.5
205.05080	0.2
213.01826	0.2
217.01369	0.2
217.69623	0.2
227.00026	0.2
229.01323	0.3
241.98537	0.3
245.04483	0.2
254.99358	1.4
255.01831	0.2
255.02998	0.2
256.03970	0.1
257.00909	1.1
269.00964	0.2
269.98065	14.9
270.98572	0.8
271.02539	0.3
273.00293	0.2
275.01984	0.2
282.98865	0.6
283.99673	0.3
284.03360	0.2
285.00427	12.4
286.00812	0.5
297.97556	44.9
298.97974	2.0
299.01544	0.2
299.99103	0.5
300.02722	0.6
300.99896	1.5
301.03531	2.0
302.00565	0.3
302.03918	0.8
303.04086	0.3
311.99054	0.2
312.99902	77.2
314.00250	2.9
327.01373	0.3
328.02243	53.9
329.02615	2.5
383.55139	0.2
384.55701	0.2
446.04901	6.2
447.05441	0.4
459.05832	0.6
459.55865	1.1
460.06006	0.8
460.56201	0.3
461.07260	100.0
461.20563	2.7
462.07626	5.2
617.07922	0.5
618.08051	0.2
1139.35303	0.2
1164.78894	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1139.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01754	0.2
79.73454	0.1
83.01259	1.1
85.02820	0.2
85.63335	0.1
87.00765	0.1
91.01782	0.3
93.03334	1.5
95.01254	0.5
97.02791	0.1
107.01270	3.5
109.02842	0.6
111.00784	0.2
113.02326	0.2
117.03337	0.2
118.93601	0.1
119.01247	0.2
121.02843	0.2
123.00760	1.2
123.04339	0.1
124.01564	0.1
125.02329	1.5
130.04123	0.2
131.04912	0.3
133.02870	0.2
135.00768	0.6
136.98674	0.1
137.02296	0.4
139.00282	0.3
140.01054	0.2
141.01822	0.1
141.07016	0.2
143.04944	1.0
145.02856	0.6
145.06505	0.2
147.00786	0.1
151.00272	6.0
152.00627	0.1
153.01865	0.3
154.04114	0.3
155.04878	0.2
156.05719	0.2
157.06493	0.7
158.03667	0.2
159.04443	1.1
161.02313	0.2
161.05978	0.1
163.00287	1.9
164.01053	0.6
165.01865	0.4
167.04881	0.6
168.00557	0.3
168.05666	0.1
169.01341	4.1
169.06474	0.7
171.04425	0.7
172.04855	0.1
173.02315	0.2
173.05965	0.3
174.03009	0.1
179.03488	0.1
179.77687	0.1
182.03699	0.1
183.02974	0.1
183.04362	0.4
184.05168	0.2
185.06001	2.4
187.03914	2.5
189.05478	0.8
190.99785	0.1
191.03323	0.1
192.00638	0.2
195.04468	0.6
196.05322	0.2
197.05988	0.8
198.03049	0.2
199.03972	0.6
201.01726	0.1
201.05528	0.6
202.02492	0.1
210.03133	0.1
211.03967	1.5
212.04634	0.2
213.05516	2.1
214.02640	0.4
215.03447	0.4
223.04095	0.1
224.04678	0.1
226.02699	0.2
227.03452	2.1
229.05011	9.0
230.05322	0.3
239.03438	1.2
240.04303	0.5
241.05017	1.6
243.02986	0.3
255.02989	0.7
256.03796	0.6
256.12476	0.1
257.04532	7.0
258.04822	0.3
267.03003	0.6
275.02106	0.1
283.04593	14.0
284.03177	0.4
284.05347	0.2
285.04034	100.0
286.04379	4.1
299.99039	0.2
300.99985	0.4
313.30316	0.1
398.46539	0.1
417.08255	0.1
569.09344	10.6
570.09595	0.9
620.54437	0.1
1103.17151	0.1
1128.88794	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	18.1
57.03325	38.3
69.03324	1.8
70.89777	1.5
71.01258	4.5
71.55911	3.2
72.99197	2.0
83.01268	8.5
84.02042	21.7
85.02824	100.0
86.03183	4.1
92.17152	1.5
94.88868	1.6
95.01277	2.2
97.22759	1.7
113.02343	19.0
114.05506	4.5
120.00569	1.6
127.24111	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	113.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.7
57.03326	10.1
58.02879	0.6
67.78694	0.6
68.99445	100.0
69.03325	1.1
69.99796	1.1
70.16031	2.9
71.01258	3.0
71.13341	0.6
72.00774	1.4
72.99191	1.9
83.01263	1.8
84.02041	6.1
85.02827	32.9
86.02366	0.6
86.03161	1.2
95.01291	0.7
96.00788	0.6
112.45087	0.6
112.98498	1.9
113.02337	10.0
113.03549	0.7
114.01865	1.2
114.05511	5.9
126.69344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	5.3
57.03319	26.2
58.02845	12.9
62.32989	2.7
67.01787	3.8
68.01297	6.1
68.99445	5.7
69.03325	10.7
71.01256	12.6
71.02382	18.4
71.56995	4.0
71.57382	4.8
72.00777	21.8
72.99180	7.5
83.02388	6.3
84.00780	4.2
84.02053	11.4
85.02828	73.0
86.02347	17.0
86.03178	3.7
86.26495	3.3
95.01269	3.2
96.00793	22.9
113.02319	43.0
113.03448	9.6
113.05968	100.0
114.00877	4.0
114.01859	15.2
114.02558	2.7
114.05531	6.5
114.06303	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	1127.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01752	0.7
79.98138	0.8
83.20123	0.7
95.01265	1.6
109.02860	1.3
110.64528	0.9
119.04909	0.9
121.02896	0.9
123.00765	2.8
125.02349	3.6
129.03339	1.0
133.02902	1.1
137.02344	3.1
141.01796	0.9
141.63222	0.9
145.02866	2.3
147.04399	1.6
151.00270	1.4
157.02841	1.2
159.04437	1.2
161.02353	2.6
163.00304	5.9
163.03966	1.6
165.01859	2.9
166.99788	1.1
169.01326	3.7
173.02351	4.5
175.03934	2.8
177.01874	1.9
185.02348	4.3
187.03934	1.4
189.01849	2.4
190.99776	1.1
191.03430	2.0
193.01369	3.3
201.01826	5.9
203.03432	3.8
205.01332	1.9
206.99286	1.7
209.00800	2.8
213.01865	2.2
215.03433	1.1
217.01369	3.0
218.52271	0.9
219.02902	1.2
221.00793	1.6
229.01393	9.6
231.02966	3.7
233.00917	1.4
237.00368	1.0
241.01334	1.4
245.00833	5.8
246.36913	0.8
247.02495	1.6
249.04042	1.7
257.00891	7.4
258.01700	2.1
259.02560	2.7
261.00385	10.7
269.01059	1.1
270.98727	1.7
273.00388	7.4
274.01205	3.6
275.01962	16.3
279.01431	1.5
283.99661	3.6
285.00320	4.1
287.01953	2.5
291.01767	1.0
299.51169	0.9
299.99091	4.5
300.99899	100.0
302.00290	5.2
303.01273	3.0
312.99930	1.7
315.01578	1.3
316.99420	2.7
331.00934	1.5
345.02689	1.3
361.05664	1.2
361.86475	0.9
371.00690	0.9
387.03546	1.0
389.01346	1.5
405.04739	1.3
431.02890	1.3
449.03619	1.2
463.05087	3.4
615.05792	1.3
633.07300	48.0
634.07855	4.1
683.04968	1.0
706.13074	0.9
755.28094	0.9
769.32837	1.0
797.09503	1.1
823.07550	1.2
825.07977	4.7
853.07245	4.3
935.08246	1.4
975.07465	1.4
1065.11292	1.7
1168.41162	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01777	0.4
81.63586	0.3
83.01242	1.0
85.02818	0.8
95.01264	1.0
98.20565	0.6
101.02328	0.6
107.01273	3.4
108.02065	0.7
109.02816	0.7
111.00753	1.1
113.02343	0.4
121.02849	0.9
123.00774	6.2
125.02338	7.5
126.02737	0.3
135.00775	0.5
136.38622	0.2
136.98735	0.4
139.00259	1.6
140.01019	1.1
141.01849	0.7
148.01598	0.9
148.57832	0.3
151.00284	9.5
152.00847	0.3
153.01898	0.4
163.00279	1.1
163.03937	0.5
164.01089	0.5
168.00502	1.4
168.99945	0.6
169.01344	9.1
169.02779	0.5
178.99818	2.1
187.03943	0.4
198.03119	0.3
199.03949	0.6
211.03925	0.8
215.03545	0.3
216.04106	0.5
226.02574	1.4
227.03458	2.4
229.04926	0.3
243.02965	7.6
244.03535	0.4
245.04538	0.5
254.02219	1.8
255.02972	17.9
256.03336	1.0
271.02466	41.5
272.02887	3.0
273.04013	0.5
283.02505	0.8
299.01947	1.0
300.02740	65.8
301.03464	18.3
302.03619	0.6
313.05673	1.3
463.08795	3.4
523.21838	65.9
524.22302	6.7
524.29858	0.2
559.70319	0.4
601.15631	100.0
602.15948	9.7
640.14038	0.6
641.14899	0.7
772.42084	0.3
1125.41296	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
92.99706	2.2
95.01264	13.6
109.02818	2.1
111.00816	1.2
116.42712	1.3
117.03371	3.6
119.04906	1.7
123.00783	2.8
125.02335	5.1
129.03369	1.9
133.02869	2.4
139.00250	1.6
145.02840	6.7
147.00809	1.7
147.04453	2.9
159.00787	2.9
159.04478	1.2
161.02386	4.7
163.00264	7.4
163.03957	4.0
164.98175	10.2
165.01839	1.6
169.01299	2.9
171.00832	4.3
173.02394	6.4
174.03003	1.8
175.03979	2.9
177.01845	3.8
185.02354	5.3
187.00313	3.5
188.01056	1.5
189.01843	8.4
190.02481	2.3
190.99760	1.5
191.03403	4.7
193.01338	1.8
199.00281	3.1
200.01048	1.9
201.01884	10.6
203.03441	3.2
205.90028	1.4
206.99185	1.8
209.00879	1.3
213.01883	4.7
214.99789	7.0
216.00533	3.4
217.01399	12.2
218.02133	1.8
219.02974	2.4
226.99800	5.0
227.03458	1.4
228.00749	1.9
229.01338	14.0
230.02148	1.7
230.99435	1.8
231.02960	4.6
235.02475	1.6
241.01486	1.8
242.99352	9.4
244.00038	2.6
245.00867	18.5
246.01245	1.8
247.02455	12.8
254.99402	3.6
257.00955	8.2
258.01401	2.0
261.00418	3.4
270.98843	31.0
271.99579	1.9
273.00409	23.7
274.01062	3.9
275.01938	14.3
276.02444	1.6
276.98398	1.3
283.99677	3.8
285.00366	4.6
287.02054	2.2
291.01376	2.1
298.98343	46.5
299.99042	19.2
300.99896	100.0
302.00275	7.0
303.01285	1.4
310.98267	2.1
312.99847	2.3
316.99326	6.2
338.97821	1.6
343.01144	1.3
379.08679	1.3
399.04126	2.4
433.04224	2.5
445.03549	2.0
461.03525	1.7
463.05225	2.3
595.03821	1.8
635.09674	1.6
755.93506	1.3
905.05841	2.0
913.02985	2.4
915.04901	7.6
931.04401	1.7
933.06012	9.4
953.03363	4.7
971.04175	4.8
989.07788	1.6
995.64294	1.5
1047.05164	1.8
1089.07361	3.8
1107.07471	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	1125.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
78.34396	0.4
89.03853	0.4
92.99670	1.5
93.03328	0.5
95.01260	8.8
96.97695	0.3
107.01247	0.5
109.02811	0.5
111.00706	1.1
115.01777	0.5
117.03348	2.5
121.02793	0.7
123.00796	2.2
123.04378	0.6
125.02341	3.9
129.03282	1.1
131.01268	0.7
131.04890	0.5
133.02855	2.2
135.00742	0.5
136.98721	0.6
137.02322	2.2
139.00281	2.2
145.02835	4.0
147.00734	0.8
147.04413	1.3
149.02289	1.4
151.00206	0.5
153.01826	0.6
157.02843	1.7
159.00729	0.7
159.04370	1.3
160.01460	0.6
161.02365	6.3
163.00296	4.2
163.03926	2.9
164.00966	0.6
164.98218	7.6
165.01784	1.3
166.99693	1.1
169.01370	3.7
171.00761	1.0
172.01447	0.6
173.02376	5.5
175.00261	0.5
175.03929	2.1
176.01097	0.6
177.01823	3.2
178.99750	1.4
179.03346	0.4
182.99281	1.1
184.00037	0.8
185.00853	0.6
185.02376	4.0
187.00301	2.3
188.00961	1.1
189.01862	7.0
190.02565	1.1
190.99738	1.2
191.03476	2.1
193.01320	0.8
199.00262	1.8
200.01035	1.1
201.01865	6.3
202.99762	1.1
203.03447	3.7
205.01340	3.0
206.99217	1.0
208.00040	0.6
209.00827	2.4
213.01840	1.8
214.99835	4.4
215.03461	0.6
216.00621	1.8
217.01367	7.1
218.02017	0.6
219.02887	1.7
221.00710	0.7
226.99841	2.7
227.03409	0.9
228.00537	0.9
229.01381	9.4
230.02040	0.5
230.60555	0.5
230.99304	1.6
231.02971	3.3
231.99959	1.0
233.00819	2.3
241.01363	1.0
242.02272	0.5
242.99333	5.6
243.02982	0.5
244.00044	1.7
245.00877	13.1
246.01326	0.8
247.02435	4.6
248.02815	0.5
249.04050	2.5
254.99300	1.0
255.03120	0.5
257.00903	7.1
258.01575	2.1
259.02475	0.9
259.99359	1.2
261.00372	3.7
262.00787	0.6
263.01761	0.5
267.02985	0.5
269.00873	0.9
270.98883	14.2
271.02060	0.8
271.99390	1.7
273.00418	11.9
274.01077	2.8
275.01987	15.7
276.02402	1.2
282.99014	0.5
283.99631	3.6
285.00360	3.2
286.98288	2.6
287.01880	1.5
287.98743	0.9
288.99973	2.7
290.00491	0.5
291.01541	3.5
298.98352	17.7
299.99060	10.7
300.99893	96.0
302.00186	5.4
310.98376	2.4
312.99854	1.7
314.97836	2.5
315.01413	1.0
315.98584	6.1
316.99377	100.0
317.99771	4.7
319.00803	0.6
326.98074	0.9
328.99542	0.6
337.00021	0.5
337.03485	0.4
338.97855	1.0
343.00937	1.7
353.05066	0.5
435.05548	0.7
445.04248	0.9
461.03693	1.6
463.05164	6.0
473.03586	0.5
479.04880	0.9
481.06149	0.8
501.03271	2.4
519.04626	1.1
613.04889	1.3
631.05646	0.6
633.06940	2.3
669.04083	0.5
671.05402	1.4
763.04437	0.7
765.05566	3.1
781.05304	1.2
783.06622	3.1
803.04089	1.5
821.05090	1.4
897.06689	1.7
913.02148	0.5
915.05615	1.7
933.06769	2.9
949.05658	1.1
951.07513	3.6
953.04486	0.8
971.04614	1.1
972.07220	0.5
989.05597	1.5
1047.07874	0.5
1065.07434	2.1
1089.07288	0.9
1107.09607	0.7
1125.09119	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	1125.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
95.01279	7.2
107.79057	1.1
109.02881	1.4
117.03371	1.5
119.56169	1.0
123.00776	2.2
125.02341	3.7
126.72548	1.2
128.93596	1.1
139.00293	1.3
145.02898	4.4
147.04443	2.6
159.00787	1.4
159.04395	1.9
160.01607	1.4
161.02386	4.6
162.03064	1.0
163.00276	4.1
163.03937	2.7
164.98222	4.6
165.01849	1.6
166.99837	2.2
169.01393	4.7
171.00847	1.8
172.01541	1.4
173.02412	4.9
174.03185	1.3
175.03912	3.2
177.01874	2.7
184.00070	1.2
185.02394	3.4
189.01862	6.5
190.02614	1.8
190.99728	2.2
191.03418	5.1
199.00224	1.8
201.01895	4.7
203.03455	2.6
205.01413	2.7
206.99399	1.9
207.99550	1.2
209.00787	2.5
213.01831	1.4
214.99785	3.2
217.01387	7.9
219.02982	3.0
229.01385	7.8
231.02931	1.7
233.00856	1.9
241.01389	1.6
242.99365	4.2
245.00890	13.9
247.02463	20.3
257.00854	6.7
258.01413	2.0
259.02585	2.4
261.00336	4.3
270.98862	10.6
271.99591	1.5
273.00421	23.5
274.01102	3.8
275.01999	14.3
283.99567	2.5
285.00372	3.1
286.98441	2.3
287.01794	1.1
288.99866	4.6
291.01541	10.6
298.98343	16.5
299.99066	11.2
300.99905	100.0
302.00287	6.8
310.98331	1.7
312.99915	1.7
314.97876	3.9
315.01410	1.8
315.98456	5.7
316.99384	86.8
317.99719	3.8
356.98325	1.3
417.04785	1.7
435.05658	2.7
463.05188	4.5
466.05585	1.3
473.03104	1.3
631.05615	1.4
633.07153	2.0
671.05286	1.2
737.06323	2.5
758.85529	1.3
765.05908	2.8
783.07349	2.8
821.04315	1.6
897.06769	1.4
905.07025	2.4
907.09241	6.6
933.06659	3.3
945.06451	3.6
951.08795	3.2
989.05402	2.3
1065.07739	2.3
1125.10339	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	1117.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
86.16472	0.2
89.03831	0.3
95.01264	0.7
105.03327	0.3
107.01320	0.5
111.00775	0.3
117.03327	1.1
119.04932	0.5
121.02852	0.6
123.00771	2.1
125.02335	2.8
129.03336	0.6
131.01262	0.4
132.02090	0.3
133.02858	1.5
135.04431	0.4
145.02838	3.7
147.04474	1.2
148.01546	0.3
149.02383	0.6
151.00261	0.8
157.02887	0.8
159.00758	0.3
159.04433	0.7
160.01559	0.6
161.02332	3.1
162.03133	0.4
163.00258	0.4
163.03949	1.6
165.01898	0.3
166.99771	0.5
169.01350	3.3
170.56367	0.3
171.00775	0.9
172.01540	0.4
173.02354	4.1
174.03006	0.5
175.00299	0.4
175.03932	1.4
176.01102	0.3
177.01837	0.8
178.99770	1.0
179.03401	0.4
185.02383	3.4
187.00243	1.2
187.03864	0.6
188.01006	0.3
189.01855	4.2
190.02609	1.8
191.03386	2.1
192.00618	0.3
193.01466	0.4
199.00307	0.8
199.03951	0.3
200.01085	1.0
201.01852	5.2
202.02460	0.3
202.99809	0.4
203.03404	2.5
205.01349	0.8
207.02975	0.4
213.01883	1.0
214.02505	0.3
214.99803	1.6
215.03354	0.4
216.00529	1.5
217.01367	7.2
218.02161	0.9
219.02948	0.8
221.00845	0.3
226.99858	1.5
227.03471	0.7
228.00589	1.1
229.01364	8.5
230.02049	0.8
230.99379	0.5
231.02963	2.3
232.00090	0.3
233.00905	0.7
234.01694	0.3
239.03461	0.3
242.02148	0.3
242.99342	2.9
243.03065	0.4
244.00095	2.2
245.00877	10.4
246.01384	1.2
247.02426	2.4
248.03178	0.3
249.04066	2.3
254.99435	0.8
255.02953	0.3
257.00900	5.3
258.01654	1.1
259.02493	0.4
259.99579	0.7
261.00479	1.5
261.04282	0.2
263.01779	0.3
269.01111	0.4
269.04352	0.4
270.98840	9.3
271.99591	1.5
273.00403	11.9
274.01151	2.1
275.01978	10.0
276.02393	0.6
277.03488	0.7
283.99619	2.6
285.00327	0.5
286.98502	0.3
287.01929	0.8
288.99988	0.6
291.01450	0.8
297.03900	0.3
298.98349	7.8
299.01807	0.4
299.99094	7.3
300.99890	100.0
302.00211	4.4
303.01239	1.1
305.02960	1.3
312.99945	0.3
315.01520	0.8
316.99408	1.0
331.00970	1.5
341.03192	0.3
343.00830	0.5
349.02005	2.4
389.04965	0.2
417.96539	0.3
433.04236	0.4
443.02661	0.5
445.04016	1.5
461.03598	1.6
463.05093	1.2
493.06058	0.5
569.05560	0.3
613.04718	1.0
615.09863	0.4
631.05725	0.8
663.09174	0.4
765.05444	0.5
915.05365	0.6
933.06409	23.4
934.06519	3.3
965.09009	41.8
966.09351	5.9
1101.71411	0.3
1153.82568	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48893	7.4
55.01748	24.0
60.96259	8.5
67.01745	34.7
69.03316	10.5
69.56248	70.7
73.03815	8.8
78.95768	16.6
81.03288	11.0
83.01255	63.6
83.04877	14.0
93.03320	16.9
98.20587	16.9
101.79708	8.3
109.06463	11.5
111.00760	100.0
111.01920	13.3
111.04382	30.9
111.08024	55.1
117.03845	7.4
118.25403	8.5
120.60528	8.9
128.20248	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	1117.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02867	0.3
89.03845	0.3
93.03319	0.3
95.01295	1.1
97.02845	0.3
107.01211	0.2
117.03350	1.5
119.01365	0.3
119.04921	0.4
120.66510	0.2
123.00778	2.0
124.01552	0.3
125.02354	3.0
129.03398	0.5
131.01268	0.2
132.02061	0.5
133.02879	1.4
135.04382	0.4
137.02367	0.4
143.01332	0.3
145.02866	3.9
147.00818	0.5
147.04466	1.1
148.01578	0.4
149.02327	0.5
151.00249	0.5
157.02823	1.2
158.03600	0.2
159.00771	0.6
159.04398	1.0
160.01596	0.5
161.02353	3.3
162.03137	0.6
163.00336	0.5
163.03912	2.0
166.99767	0.7
168.00475	0.3
169.01372	4.0
171.00818	0.8
172.01558	0.7
173.02348	4.3
174.03104	0.4
175.00201	0.3
175.03897	1.6
177.01884	1.1
177.72383	0.2
178.99814	0.7
179.03426	0.6
185.02365	2.6
187.00334	1.4
187.03876	0.5
188.00998	0.4
189.01868	4.4
190.02623	1.8
191.03452	1.9
192.00764	0.2
199.00342	0.9
199.03792	0.3
200.01088	1.1
201.01874	4.6
202.02480	0.4
202.99951	0.3
203.03439	2.1
205.01289	0.8
205.05008	0.3
213.01852	0.8
214.02594	0.3
214.99820	1.5
215.03352	0.4
216.00549	1.1
217.01384	6.5
217.03523	0.3
218.02087	0.6
219.02879	1.0
226.99911	1.3
227.03505	0.8
228.00508	0.8
229.01382	6.9
230.01950	0.7
230.99353	0.4
231.02963	2.2
231.99965	0.3
233.00887	0.6
233.04449	0.4
239.03391	0.3
242.99271	2.8
243.03017	0.5
244.00040	1.8
245.00873	8.4
246.01480	0.9
247.02469	2.4
248.03148	0.6
249.04033	2.3
254.99359	0.8
255.02942	0.8
256.00223	0.3
257.00894	4.9
258.01581	1.4
259.02567	0.5
259.99652	0.6
261.00351	1.4
270.98846	8.5
271.02121	0.5
271.99487	1.4
273.00409	11.4
274.01160	1.2
275.01984	8.6
276.02451	0.4
277.03555	0.6
283.02502	0.5
283.99667	3.0
284.02911	0.4
285.00684	0.4
285.04056	2.2
286.98727	0.3
287.02060	0.8
288.99789	0.5
291.01355	0.8
296.03381	0.2
297.00638	0.2
298.98337	8.2
299.99106	6.7
300.01880	0.2
300.99893	100.0
302.00223	4.8
303.01453	1.0
305.03131	1.3
313.05588	0.6
315.01511	0.5
316.99393	1.3
331.00955	1.5
331.04245	0.2
343.00903	0.5
349.02023	2.4
401.18185	0.2
405.04724	0.3
433.03976	0.4
443.02618	0.5
445.04141	1.9
447.09302	0.7
461.03662	2.0
462.03705	0.4
463.04816	1.5
467.09964	0.3
493.06256	0.8
553.18646	0.3
613.04535	1.8
614.05859	0.3
615.06445	0.4
631.05975	0.8
663.08990	0.3
692.70905	0.3
747.04224	0.3
763.03827	0.5
765.05725	0.7
786.09473	1.2
795.07294	0.2
915.05463	1.0
933.06421	30.4
934.06726	5.3
944.54773	0.2
947.94446	0.3
965.08997	35.8
966.09357	5.6
1000.76318	0.3
1117.27771	0.3
1124.15564	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00213	5.8
55.01759	29.1
60.88833	1.9
65.00201	2.1
65.99725	3.6
67.01767	20.7
68.01286	38.0
68.99702	9.9
71.01257	7.2
71.56430	3.4
81.03336	3.7
83.01263	59.3
83.04900	6.0
84.00787	2.0
84.01597	2.2
93.03364	3.4
106.51216	1.9
111.00764	100.0
111.01875	9.8
111.04410	10.9
112.00327	4.7
112.01080	5.9
112.03948	2.4
126.92581	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	111.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	24.3
56.88073	11.2
67.01756	40.2
69.03306	23.7
71.05668	29.1
81.03327	17.4
83.01254	53.2
107.95541	13.7
111.00755	100.0
111.01900	21.4
111.04405	27.5
111.08055	89.1
121.39416	11.9
128.72746	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	111.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00183	1.8
54.62674	1.9
55.01749	6.1
61.36548	1.7
67.01761	50.6
67.70642	1.8
69.41122	13.7
76.13403	2.0
78.95776	78.1
81.03335	5.5
83.01242	14.2
83.04897	8.3
85.02832	2.1
93.03329	6.1
95.56773	2.3
110.97478	3.5
111.00764	100.0
111.04394	2.7
112.01102	2.5
129.87291	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	111.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00183	1.8
54.62674	1.9
55.01749	6.1
61.36548	1.7
67.01761	50.6
67.70642	1.8
69.41122	13.7
76.13403	2.0
78.95776	78.1
81.03335	5.5
83.01242	14.2
83.04897	8.3
85.02832	2.1
93.03329	6.1
95.56773	2.3
110.97478	3.5
111.00764	100.0
111.04394	2.7
112.01102	2.5
129.87291	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	1109.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
92.99688	0.9
95.01260	8.0
109.02888	0.6
117.03326	0.4
123.00757	1.2
125.02340	2.3
133.02873	0.6
137.02362	0.8
145.02856	1.3
147.04430	0.6
157.02930	0.4
158.03575	0.3
159.04416	0.7
161.02368	1.1
163.00279	2.5
163.03940	1.0
164.98212	7.4
165.01837	1.4
169.01376	2.8
173.02362	1.9
175.03967	1.2
177.01875	0.5
185.02353	2.4
187.00293	0.4
187.03870	0.5
188.01089	0.4
189.01863	1.6
190.02629	0.4
190.99789	1.0
191.03403	1.1
200.01161	0.5
201.01868	2.7
203.03403	1.7
209.00909	1.6
213.01918	1.0
214.99979	0.3
215.03587	0.4
216.00499	0.6
217.01347	2.1
218.02185	0.3
219.02957	0.6
226.99829	0.7
229.01347	5.5
230.02373	0.6
231.02997	2.2
233.00854	0.6
233.98047	1.1
234.98824	0.8
242.99321	0.5
243.02983	0.3
244.00070	0.6
245.00864	4.4
245.04657	0.3
246.01454	0.5
247.02391	2.0
248.02908	0.5
249.03952	3.0
254.99350	0.6
257.00867	5.2
258.01526	1.0
259.02408	0.8
261.00391	0.8
269.00989	0.6
270.98856	2.1
271.99469	0.4
273.00418	6.2
274.01215	1.8
274.03751	0.3
275.01965	15.1
276.02292	0.9
283.99753	1.7
285.00378	2.6
287.01874	0.5
291.01361	0.7
298.79510	0.3
298.98370	2.9
299.01596	0.5
299.99081	6.7
300.99884	100.0
302.00262	4.0
303.00620	0.4
310.98361	1.2
312.99878	1.4
314.00644	0.4
315.01395	1.0
316.99469	0.4
326.97769	0.8
328.99368	0.5
329.02960	0.5
343.00891	1.2
343.04761	0.4
385.74390	0.3
445.04053	1.0
463.05228	3.5
473.04086	0.3
501.03281	1.2
633.07385	0.8
671.05231	2.0
765.06256	1.1
803.03906	1.0
807.07672	0.3
825.07758	0.8
933.06317	5.0
934.06757	0.4
935.07855	14.2
936.08191	1.3
945.06506	1.1
947.08527	0.4
973.05774	11.1
974.06012	1.1
991.06146	0.5
1049.07336	5.9
1050.07422	0.8
1109.09851	2.9
1110.10767	0.5
1110.58313	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
78.69334	0.2
83.01235	0.3
89.03837	0.3
92.99694	1.7
93.03348	0.5
95.01261	8.7
101.03889	0.2
107.01282	0.4
109.02820	0.6
111.00753	0.3
117.03344	0.8
119.04931	0.4
121.02848	0.3
123.00780	1.2
124.01533	0.5
125.02335	2.8
129.03375	0.6
131.04933	0.3
133.02832	0.9
135.04491	0.3
137.02321	1.3
139.00272	0.5
145.02869	3.0
147.00748	0.4
147.04387	0.9
149.02345	0.5
151.00302	0.3
157.02875	1.7
159.04414	1.2
160.01515	0.2
161.02351	1.8
163.00267	2.8
163.03897	1.5
164.00972	0.3
164.98199	6.0
165.01799	1.6
166.99818	0.4
169.01328	2.5
169.02634	0.4
171.00758	0.5
172.01613	0.3
173.02353	3.6
175.03909	1.5
177.01874	1.1
184.01508	0.3
185.02345	4.3
187.00290	0.5
187.03934	0.8
189.01865	2.4
190.02576	0.9
190.99805	0.8
191.03447	1.8
192.00578	0.4
192.09785	0.2
193.01360	0.7
199.00290	0.5
199.03932	0.3
200.01085	0.7
201.01865	5.2
202.02495	0.3
203.03413	3.1
205.01384	0.4
209.00880	1.3
211.00208	0.3
213.01926	1.7
214.02588	0.5
214.99826	0.4
215.03412	0.4
216.00519	0.6
217.01353	3.3
218.02118	0.6
219.02962	0.9
222.01407	0.3
226.99857	1.4
227.03380	0.5
228.00473	0.8
229.01381	8.2
230.01958	0.8
230.99408	0.3
231.02951	2.6
233.00868	0.5
233.98076	0.8
234.98692	0.5
240.00638	0.3
241.01395	0.6
242.02058	0.4
242.99275	1.0
243.02954	0.7
244.00090	1.0
245.00879	6.3
246.01590	0.3
247.02437	1.8
248.03061	0.4
249.04042	2.3
254.99286	0.9
256.00107	0.3
257.00897	6.7
258.01477	1.6
259.02390	0.7
266.99472	0.4
267.02734	0.3
269.00861	0.3
270.98837	2.9
271.01950	0.4
271.99603	0.5
273.00381	6.4
273.03381	0.4
274.01065	1.7
275.01978	12.9
276.02368	0.8
282.98743	0.3
283.99612	3.8
285.00473	2.4
285.03647	0.3
286.00867	0.4
287.01938	0.6
291.01465	0.8
293.04620	0.2
298.98419	2.3
299.99097	7.8
300.99884	100.0
302.00223	5.3
303.01227	0.3
310.98413	1.3
311.01434	0.3
313.00073	1.5
313.03302	0.4
314.00708	0.4
315.01602	1.1
316.99356	0.6
326.97910	0.6
328.99429	0.7
331.01083	0.3
338.97769	0.4
343.01102	1.1
356.98920	0.3
395.93509	0.2
445.04111	0.6
447.05695	0.4
461.03738	0.3
463.05127	3.4
464.06122	0.3
473.03592	0.5
475.04993	0.5
501.03134	1.9
505.06421	0.5
589.08911	0.4
613.05219	0.4
615.06165	0.3
633.07172	0.7
638.84509	0.3
645.06860	0.3
671.05109	2.6
763.04004	0.3
765.05786	1.8
803.03314	1.2
825.08472	1.3
933.06018	5.5
934.06586	0.8
935.07904	18.3
936.08197	2.3
945.05066	1.2
947.07703	0.6
973.05811	12.0
974.06476	1.9
1049.07532	7.2
1050.07056	1.3
1071.23083	0.3
1109.09546	3.8
1110.09448	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03836	0.3
92.99702	1.4
95.01270	8.5
101.03869	0.3
104.97515	0.2
107.01310	0.2
109.02866	0.5
111.00729	0.2
117.03365	1.0
117.07943	0.2
119.04934	0.5
121.02843	0.4
123.00752	1.2
124.01602	0.3
125.02347	2.7
129.03384	0.4
131.04901	0.4
133.02859	0.6
135.49501	0.2
137.02383	1.4
139.00325	0.6
145.02852	2.9
147.04430	1.6
149.02321	0.3
157.02870	0.9
159.04436	0.9
161.02347	1.9
163.00298	2.7
163.03935	1.3
164.00937	0.5
164.98216	7.0
165.01770	1.1
166.99884	0.3
167.04926	0.3
169.01370	2.4
172.01590	0.4
173.02379	3.1
175.00366	0.2
175.03893	1.9
176.00972	0.3
177.01840	1.0
178.99794	0.6
184.01639	0.3
185.02383	4.2
187.00349	0.7
187.03963	0.7
189.01854	2.4
189.05450	0.2
190.02589	1.0
190.99762	0.9
191.03458	1.8
192.00656	0.3
193.01236	0.5
194.99286	0.2
199.00285	0.5
200.01062	0.7
201.01892	4.3
201.05734	0.2
202.02415	0.3
203.03415	2.6
205.01370	0.4
209.00858	1.6
213.01865	1.8
214.02641	0.5
214.99841	0.6
215.03439	0.4
216.00621	0.7
217.01355	3.3
218.02182	0.6
219.02946	1.0
221.00874	0.3
226.99826	0.8
227.03429	0.4
228.00633	0.6
229.01404	9.0
230.01924	0.7
230.99316	0.3
231.02957	2.2
233.97987	0.8
234.98898	0.5
239.03423	0.4
241.01369	0.6
242.02104	0.3
242.99185	1.5
243.03053	0.4
244.00087	0.8
245.00879	7.0
246.01376	0.7
247.02455	2.2
248.03105	0.4
249.04031	2.1
254.99358	1.1
257.00894	7.4
258.01511	1.5
259.02371	0.8
259.99786	0.2
261.00397	0.5
267.02924	0.4
269.00842	0.3
270.98874	2.9
271.99503	0.6
273.00415	6.1
274.01144	2.1
275.01987	13.1
276.02298	0.5
283.99652	4.3
285.00336	2.6
286.01053	0.4
287.01981	0.5
291.01370	0.6
298.98373	3.1
299.01578	0.3
299.95642	0.5
299.99088	9.1
300.99896	100.0
302.00259	5.6
303.01111	0.3
310.98477	1.1
312.99887	2.1
314.00479	0.4
315.01450	0.9
316.99408	0.8
319.00974	0.3
326.97763	0.7
327.01233	0.4
328.99326	0.6
338.97873	0.5
340.33807	0.3
341.03235	0.4
343.00964	1.5
419.06094	0.4
443.02545	0.3
445.04260	0.8
461.03616	0.8
463.05243	3.7
473.03717	0.9
501.03113	2.1
505.06213	0.4
613.04919	0.7
615.06207	0.6
631.06567	0.5
633.07159	1.5
668.37408	0.3
671.05194	2.7
672.05530	0.3
765.05872	2.0
766.06250	0.4
775.04285	0.4
803.03864	1.2
825.07843	1.2
826.09821	0.3
891.09509	0.4
907.08887	0.3
919.09546	0.4
933.06281	6.6
934.06293	1.2
935.07996	21.5
936.08508	3.7
945.06763	1.5
947.07727	0.9
973.05963	14.6
974.06012	2.7
991.06287	0.4
1049.07544	9.8
1050.07959	2.2
1109.09558	5.2
1110.10046	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
81.42738	0.3
85.54291	0.3
85.54833	0.2
95.01260	1.2
109.02859	0.4
117.03352	1.8
119.04922	0.7
121.02824	0.4
123.00755	2.2
125.02345	1.9
129.03372	0.7
131.01262	0.4
131.04901	0.6
132.02046	0.4
133.02861	1.7
143.04890	0.3
145.02858	4.8
146.03401	0.3
147.00745	0.4
147.04434	2.1
149.02379	0.7
157.02884	1.2
159.00764	0.5
159.04404	1.1
160.01611	0.4
161.02362	4.0
163.03940	2.3
165.01921	0.4
166.99800	0.9
169.01373	2.2
171.00786	0.8
172.01649	0.4
173.00926	0.4
173.02359	5.7
174.02878	0.5
175.03976	1.7
176.01224	0.5
177.01825	1.1
179.03455	0.5
185.02356	3.7
187.00333	1.8
187.04027	0.3
188.01060	0.5
189.01860	5.4
190.02632	1.5
191.03407	3.6
197.05957	0.3
199.00279	0.9
199.04021	0.3
200.01105	0.8
201.01860	6.4
202.02335	0.5
203.03450	2.8
205.01393	0.7
207.02821	0.3
213.01859	0.8
214.99883	2.2
215.03410	0.3
216.00580	1.0
217.01373	8.3
218.01935	0.5
219.02956	1.8
226.99811	1.2
227.03363	0.5
228.00591	1.1
229.01385	9.3
229.03662	0.6
230.01880	0.8
230.99300	0.4
231.02911	2.1
233.00830	0.8
240.00494	0.3
241.01398	0.4
242.99336	5.7
243.02942	0.6
244.00105	1.7
245.00896	13.2
245.03445	0.6
246.01349	0.9
247.02449	4.1
248.02910	0.4
249.04015	2.0
254.99213	0.5
257.00873	6.1
258.01636	1.3
261.00357	1.5
267.02988	0.4
270.98837	14.3
271.99377	1.4
273.00415	14.5
274.01086	1.6
275.01959	9.8
276.02338	0.4
281.00659	0.3
282.01648	0.4
283.02594	0.4
283.99649	3.3
285.00269	0.6
289.00003	0.6
291.01526	1.2
298.98361	13.6
299.01721	0.5
299.08298	0.3
299.99094	10.1
300.99890	100.0
302.00220	6.1
312.99777	0.4
314.00714	0.5
315.01584	0.8
316.99408	2.2
342.57651	0.3
343.00952	1.1
363.01273	0.3
383.04013	0.3
433.04074	0.6
443.02551	0.5
445.04044	2.1
461.03592	2.6
463.05240	2.9
477.06747	0.6
613.04828	2.2
614.05371	0.4
631.05902	1.1
763.04132	0.5
765.06262	1.9
897.04358	0.8
905.06976	0.6
907.08643	0.8
915.05469	2.6
933.06390	64.9
934.06671	10.4
951.07458	24.8
952.07635	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	1107.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
88.32106	0.9
92.99700	3.3
95.01265	12.5
107.01260	1.0
109.02850	1.2
111.00745	1.1
117.03340	2.6
119.04933	1.2
123.00757	3.3
123.04387	0.9
125.02331	3.2
129.03365	1.3
131.01297	1.4
132.01981	0.9
133.02870	1.8
137.02336	1.2
139.00279	1.1
140.38065	0.7
145.02855	5.7
147.00679	1.0
147.04391	2.1
149.02357	1.3
151.00305	1.0
157.02867	2.2
159.00803	1.7
159.04404	0.9
160.01573	0.8
161.02348	4.2
163.00288	8.6
163.03897	2.5
164.98213	15.2
165.01822	1.8
165.98602	0.8
166.99773	0.9
169.01349	3.2
171.00821	2.8
173.02332	7.1
175.03912	2.1
176.01001	0.8
177.01836	3.0
179.03409	1.4
185.02327	5.9
187.00282	3.7
187.03976	1.0
188.00990	1.1
189.01851	6.2
190.02611	1.6
190.99863	1.5
191.03441	2.8
193.01494	0.9
199.00339	3.8
200.01112	2.3
201.01900	9.5
203.03410	3.1
204.00591	0.8
206.99245	1.2
209.00774	1.1
213.01895	2.5
214.02777	1.2
214.99779	6.5
215.03180	0.9
216.00615	2.1
217.01372	8.9
218.01849	0.8
219.02887	1.6
221.00993	1.0
226.99797	5.5
227.03467	1.3
228.00487	1.7
229.01387	14.6
230.02089	1.5
230.99251	0.9
231.02867	4.2
233.00862	0.9
241.01358	1.2
242.99294	11.4
243.99977	2.1
245.00900	15.5
246.01527	1.7
247.02501	6.3
249.03963	1.8
254.99313	2.6
257.00940	8.7
258.01544	1.3
259.02466	1.1
259.99689	0.8
261.00406	3.3
269.00916	1.5
270.98846	37.7
271.99423	2.8
273.00400	22.8
274.01093	3.6
275.01944	17.7
276.02203	1.0
282.98764	1.2
283.99649	3.6
285.00427	5.9
286.98236	1.4
287.01901	1.7
289.00470	1.0
291.01569	1.2
298.98334	62.3
299.99060	12.7
300.99896	100.0
302.00226	9.3
303.00464	1.5
310.98419	2.9
312.99911	3.2
315.01459	1.3
316.99521	4.8
331.01065	1.4
343.00922	1.2
345.02020	1.0
443.02570	2.1
461.03625	2.6
463.05185	2.2
548.61993	0.8
595.03735	3.0
613.04523	1.7
671.89038	0.8
729.03723	1.2
747.05249	1.2
763.03662	1.7
765.05786	1.3
897.04614	1.6
913.03931	2.9
915.05469	6.8
921.36804	0.8
927.07202	1.0
931.05109	1.7
933.06415	5.0
935.05280	0.9
936.07532	2.7
937.08502	4.2
953.03625	4.2
955.08618	1.5
971.04333	2.2
975.76050	1.0
1029.05078	1.6
1089.05737	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	109.0284
Annotation	Catechol
Peak:m/z	Relative Intensity
52.46866	2.1
65.03845	4.7
66.03361	2.8
67.02882	3.0
70.50580	2.1
70.50920	6.6
81.03324	11.4
82.02881	2.6
91.01768	4.9
108.02067	21.4
109.02838	100.0
110.02374	6.4
110.03170	7.1
120.02644	2.3
122.26363	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	1097.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
77.91963	0.6
80.40966	0.6
95.01308	0.6
96.13224	0.5
108.02112	0.5
123.00765	1.6
124.55108	0.6
125.02341	2.3
133.02785	0.7
145.02870	1.7
147.04378	1.0
151.31557	0.6
157.02881	0.7
159.04448	1.0
161.02365	1.3
163.03864	1.0
165.12695	0.7
169.01320	2.2
173.02361	1.8
175.03938	1.5
176.01109	0.7
177.01842	0.9
185.02364	2.5
189.01828	2.0
191.03465	1.0
201.01868	3.5
203.03409	2.4
205.01344	0.8
217.01350	2.0
229.01360	6.9
231.02965	1.9
244.00072	0.8
245.00879	5.5
247.02527	1.2
249.04031	1.8
257.00848	3.9
258.01642	1.3
261.00598	0.6
273.00458	6.6
274.01184	3.0
275.01990	13.2
276.02203	0.7
283.99689	2.4
299.99097	5.7
300.99896	92.1
302.00208	5.5
314.00543	0.7
329.03018	1.0
357.09921	0.7
385.73456	0.6
452.85025	0.6
463.05255	6.0
623.64166	0.7
632.06677	0.9
633.07343	100.0
634.07709	8.7
719.55139	0.7
755.84930	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
91.01730	0.8
95.01218	1.9
98.57585	0.7
111.00730	0.9
115.85021	0.7
117.03290	1.5
123.00694	1.7
125.02304	3.3
129.03346	1.1
133.02779	1.8
137.02296	1.2
139.00218	1.1
145.02861	4.4
147.00751	0.9
147.04359	1.5
157.02769	1.6
159.04369	1.3
161.02344	4.6
163.00183	2.1
163.03856	2.6
165.01768	1.1
166.99698	1.1
169.01364	4.3
171.00729	1.0
173.02353	4.2
175.03894	1.5
176.01022	0.9
177.01826	2.2
183.99863	0.9
185.00906	0.8
185.02336	4.1
187.00285	1.3
189.01886	6.4
190.02513	2.0
191.03323	2.0
193.01321	1.9
199.00247	0.9
200.00880	0.8
201.01865	6.1
203.03439	2.8
205.01335	3.5
206.99272	0.9
209.00836	1.3
213.01883	1.3
214.99760	2.3
216.00551	1.0
217.01347	5.1
218.01826	0.8
219.02939	2.6
226.99651	1.1
228.00592	1.0
228.44196	0.9
229.01410	8.8
229.94582	1.0
230.99409	1.4
231.02895	3.4
233.00899	2.5
242.99333	3.8
243.02953	0.8
243.99777	1.1
245.00877	9.2
246.01466	1.3
247.02423	6.2
249.04156	0.7
257.00916	6.4
258.01385	1.0
259.02527	1.0
261.00427	4.8
263.01947	0.8
267.68900	0.8
270.98859	7.5
271.01526	1.1
271.99384	1.6
273.00400	11.1
274.01123	2.5
275.01974	19.5
276.02246	1.1
283.99573	1.5
285.00348	1.3
287.01935	0.9
288.99985	2.3
291.01486	6.5
291.42432	0.8
297.00598	0.8
298.98373	8.9
299.01627	1.4
299.99081	10.1
300.99893	100.0
302.00189	7.7
314.97845	2.4
315.01404	1.1
315.98666	5.2
316.99380	99.0
317.99756	6.8
327.01596	1.0
343.01001	1.5
345.02637	0.9
381.04691	1.5
405.05432	1.0
463.05194	7.4
481.06543	2.8
551.95178	0.8
613.05420	0.7
633.07233	5.3
649.07538	0.8
765.06610	3.3
783.07513	3.0
838.41650	0.9
931.10681	2.2
933.07703	2.0
951.07813	4.8
1081.10486	1.2
1099.09875	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	1085.075
Annotation	Unknow
Peak:m/z	Relative Intensity
90.29678	1.0
95.01273	1.4
99.64169	0.9
117.03352	1.6
123.00790	3.0
125.02336	2.3
133.02753	1.7
145.02895	5.5
147.04469	2.0
161.02350	4.5
163.03903	2.3
165.01816	1.1
169.01353	3.0
171.00807	1.4
173.02374	4.4
175.03905	2.7
185.02351	3.5
187.00250	1.9
189.01875	5.2
190.02603	1.3
191.03427	2.3
197.06230	1.0
201.01828	4.6
203.03398	2.0
214.99744	3.6
216.00526	1.4
217.01375	7.9
219.02873	1.4
226.99776	1.4
229.01440	7.2
231.02959	2.8
242.99237	5.0
244.00107	2.3
245.00891	16.0
246.01404	1.4
247.02455	3.0
249.03999	2.0
257.00925	5.5
270.98880	14.5
273.00415	22.2
274.00818	2.6
275.01971	11.2
276.02484	1.3
283.99634	2.3
298.98349	16.8
299.99042	8.2
300.99893	100.0
302.00244	7.0
315.01462	1.4
316.99420	2.6
417.04910	1.4
445.03781	1.6
461.03442	3.5
463.05106	3.4
485.13278	1.3
613.04584	3.1
631.05859	1.2
765.06134	1.5
905.06207	1.6
915.06079	2.2
933.06360	49.4
934.06677	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	1083.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
77.13226	0.2
79.28976	0.2
87.53252	0.3
89.02430	0.2
89.03836	0.4
91.01789	0.3
94.14890	0.2
95.01250	1.0
97.02789	0.2
98.20632	0.5
101.03840	0.3
107.01263	0.3
108.50263	0.2
109.02863	0.6
116.61255	0.3
117.03345	1.0
119.01254	0.3
119.04901	0.7
121.02776	0.3
123.00795	1.4
124.31734	0.2
125.02340	3.5
129.03365	0.7
131.04901	0.6
133.02852	1.1
137.02373	1.6
141.03400	0.3
143.04906	0.3
145.02844	3.1
147.00735	0.2
147.04430	1.7
149.02354	0.7
151.03937	0.3
157.02864	1.5
158.03520	0.3
158.90952	0.3
159.04437	1.6
161.02364	1.8
163.00287	2.0
163.03909	1.5
165.01840	1.2
169.01355	2.5
170.77177	0.3
171.04294	0.2
173.02374	3.9
175.03922	2.3
176.01106	0.3
177.01874	1.4
178.99860	0.5
185.02365	4.9
187.03917	0.8
189.01814	2.6
190.02647	1.5
190.99757	0.9
191.03410	2.4
193.01361	1.8
200.01080	0.7
201.00084	0.4
201.01866	5.7
202.02477	0.9
203.03407	4.3
205.01425	0.6
207.02698	0.3
209.00919	0.4
211.03918	0.3
213.01892	1.4
214.02644	0.7
215.03531	0.3
215.72110	0.3
216.00548	0.9
217.01411	3.1
218.02051	0.8
218.99374	0.4
219.02913	1.5
226.99785	1.0
227.03432	0.7
228.00504	0.8
229.01379	11.4
229.03638	0.6
230.01891	0.7
231.02980	3.0
232.03531	0.3
233.00917	0.5
237.00372	0.5
239.03366	0.3
240.00403	0.3
242.99289	0.3
243.02914	0.6
244.00137	1.0
245.00896	6.7
246.01448	0.8
247.02435	2.8
248.03143	0.5
249.04031	2.5
254.99504	0.5
255.02924	0.5
257.00900	8.8
258.01639	2.8
259.02295	0.9
261.00269	0.8
269.04355	0.4
270.98770	0.7
271.02429	0.7
271.99457	0.4
273.00388	4.4
274.01132	2.6
275.01968	16.8
276.02402	0.6
283.02597	0.3
283.99622	4.5
285.00305	0.9
287.02023	0.5
291.01447	0.7
298.98328	1.0
299.01859	0.7
299.99127	10.5
300.99890	100.0
302.00238	6.4
303.00757	0.3
311.01984	0.5
315.01569	1.3
327.01413	0.7
329.02948	0.4
343.01062	1.4
345.02444	0.7
381.04211	0.4
445.03894	0.4
463.05142	3.2
551.06403	0.5
603.81647	0.3
615.05341	0.4
633.07294	3.9
711.57239	0.3
765.06000	1.0
825.08344	0.7
853.07312	1.7
854.08197	0.4
907.10620	0.3
935.07990	15.3
936.07898	2.5
1083.11560	4.9
1084.12122	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01263	2.7
83.45028	0.2
93.03338	1.1
95.01268	0.3
98.20611	0.3
107.01273	7.7
108.01588	0.2
109.02843	0.7
110.00040	0.2
111.00791	0.3
121.02849	6.1
123.00806	0.4
124.01613	0.2
125.02322	2.1
139.00272	0.5
139.03867	0.5
145.02824	0.3
149.02354	0.8
151.00276	25.9
152.00636	0.4
159.04375	0.4
161.02335	0.4
162.26958	0.2
163.00250	0.6
163.03899	0.5
164.01025	0.5
165.01840	0.2
166.99838	1.0
169.01357	5.0
173.05936	0.2
175.03900	0.2
178.99792	12.6
180.00075	0.3
183.04448	0.3
183.79578	0.2
187.03905	0.5
193.01379	0.5
201.05455	0.5
203.03371	0.2
205.04953	0.2
211.04007	0.5
227.03513	0.6
229.04956	1.3
231.02979	0.3
243.02934	0.4
245.04607	0.9
255.02968	1.6
257.04593	0.6
271.02509	1.4
273.00793	0.3
273.04050	1.7
284.03354	0.9
285.03992	0.4
298.98575	0.2
299.02039	0.5
300.02771	2.0
301.03522	100.0
302.03888	4.6
313.05649	6.9
314.06024	0.3
331.61484	0.2
447.09052	0.6
463.09048	0.9
479.08170	0.4
599.01080	0.3
599.10443	5.4
600.10657	0.5
615.09888	23.0
616.10260	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	1079.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
79.64984	0.5
83.01269	2.1
93.03326	1.1
107.01270	8.2
109.02826	1.2
121.02857	5.2
124.01513	0.5
139.03914	0.6
145.23479	0.5
147.72812	0.5
151.00278	27.5
163.00304	1.5
163.03874	0.5
169.01381	2.9
178.99782	15.7
181.06570	0.5
193.01329	0.6
199.60306	0.4
201.05574	0.6
211.03908	0.7
227.03584	0.4
229.05011	0.6
243.02954	0.5
245.04564	1.0
255.03036	1.1
257.04169	0.5
271.02640	1.0
273.04059	1.8
299.99377	0.5
300.02829	2.1
301.03519	100.0
302.03824	5.7
313.05746	1.6
362.70660	0.5
463.08762	0.9
479.34015	0.5
566.56543	0.5
615.09882	33.7
616.10175	5.5
721.93756	0.5
728.88904	0.5
842.25934	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1077.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02799	1.1
89.03874	1.7
93.03331	1.2
95.01263	4.4
96.95837	0.8
101.03787	1.0
105.03342	1.5
106.53665	0.8
107.01273	1.2
107.04923	1.2
108.02064	1.2
109.02847	2.1
111.00805	1.0
112.28929	0.7
113.02311	1.0
115.01806	1.7
117.03361	6.1
118.86652	0.6
119.01263	1.1
119.04906	3.0
121.02826	1.9
123.00769	8.0
125.02344	8.2
129.03345	1.9
131.01286	2.7
131.04935	1.0
132.02065	1.2
133.02840	5.6
135.04433	2.5
137.02345	2.7
139.00284	1.0
143.01312	2.4
145.02870	14.9
145.50087	0.7
146.03546	0.8
147.00793	2.8
147.04413	4.5
148.01581	1.5
149.02357	2.5
150.03151	1.2
151.00279	1.2
151.03928	1.1
157.02867	2.2
159.00774	3.2
159.04378	1.3
160.01570	2.2
161.02365	15.6
162.02998	0.9
163.00287	3.6
163.03909	7.9
164.01027	1.9
165.01888	4.7
165.05452	1.1
166.99789	3.1
169.01357	7.3
171.00822	4.2
172.01543	2.1
173.02364	13.5
174.03038	1.1
175.00334	1.8
175.03926	4.2
176.01097	2.2
177.01871	5.5
177.05328	1.0
178.99721	0.9
179.03426	1.8
181.04964	0.7
185.02393	3.9
187.00302	9.3
187.03963	0.9
188.01155	1.6
189.01878	17.1
190.02596	6.1
190.99811	0.9
191.03471	10.8
192.00574	1.0
193.01353	1.7
195.04474	1.2
195.06465	0.8
197.02382	1.0
197.06015	1.1
199.00290	3.2
199.03973	1.3
200.01105	2.6
201.01852	13.7
202.02541	0.9
202.99757	1.0
203.03470	4.7
205.01364	3.3
205.04932	0.7
207.02892	0.8
209.00822	1.2
209.06003	1.2
211.04034	2.2
213.01816	2.2
213.05534	1.3
213.99011	1.1
214.02632	1.1
214.99809	11.3
215.03247	1.8
216.00630	4.6
217.01375	25.7
218.02151	2.7
219.02869	4.8
223.03934	1.5
225.05597	0.9
226.02599	1.0
226.99890	3.6
227.03456	3.0
227.07228	0.9
228.00558	1.6
229.01401	16.6
230.02077	2.2
230.99336	1.4
231.02924	5.5
232.00024	1.0
233.00854	2.7
235.02281	1.2
237.05515	1.2
239.03436	1.6
239.07085	1.9
240.04274	1.5
241.01392	1.2
241.04976	1.9
241.25490	0.9
242.02246	0.9
242.99335	17.8
243.03098	2.1
243.10225	1.1
244.00008	4.3
245.00902	28.1
246.01414	2.2
247.02464	18.4
248.02815	1.4
249.03981	2.1
251.03383	1.7
252.04350	1.6
253.01329	0.9
253.04997	1.6
253.08730	1.2
254.99437	2.1
255.03023	2.0
255.06575	1.5
255.10393	2.4
257.00931	7.8
257.11908	0.8
258.01654	2.0
258.98892	1.0
259.02396	1.8
259.99481	1.2
261.00372	5.6
263.01651	1.9
265.05063	1.9
267.03107	2.4
267.06622	2.0
269.00876	2.6
269.04449	1.0
269.08020	1.5
270.98856	40.8
271.09781	1.3
271.99463	4.4
273.00415	40.5
274.01065	6.4
275.01974	25.8
276.02267	0.9
279.06583	0.9
280.03784	1.1
281.00970	1.4
281.04614	2.0
281.08154	1.6
283.02682	1.5
283.06439	1.3
283.09555	4.2
283.99588	2.9
285.00528	1.4
285.04147	1.8
285.07922	1.0
285.11340	2.3
286.01120	0.9
286.98337	2.2
287.01721	0.9
288.99884	3.1
291.01215	4.1
293.04419	1.3
295.02426	1.8
295.06024	1.5
296.03366	1.4
296.06931	1.6
297.00531	1.0
297.03998	1.7
297.07635	2.8
297.97702	1.4
298.01117	1.2
298.98346	49.2
299.09256	1.8
299.99112	21.8
300.02606	1.7
300.99905	100.0
302.00269	5.0
303.01617	1.4
305.02884	0.9
307.02542	3.6
308.03354	1.4
309.00577	1.1
309.04080	1.8
311.02097	1.6
311.05600	1.7
311.09314	2.2
312.99945	1.8
313.07303	1.3
313.10831	4.9
315.01321	2.0
315.04816	1.0
316.99344	6.2
323.02048	1.3
323.05612	9.7
324.06195	1.5
325.03595	1.2
325.07193	3.1
326.04190	1.1
327.01581	3.9
327.05103	1.4
327.08737	1.8
329.03189	1.2
329.10260	3.4
331.00781	0.9
331.12018	2.0
337.03494	0.8
337.07062	1.8
339.01453	1.2
339.05063	5.8
339.08823	2.9
340.02130	1.6
340.05786	1.4
341.03055	1.0
341.06830	2.1
343.00912	3.3
351.05078	3.5
353.02951	1.3
355.04858	0.7
355.08249	19.7
356.08969	1.8
357.09787	9.5
365.02905	4.4
366.03784	1.1
371.07825	1.2
373.09302	1.3
381.06192	23.3
381.10950	1.4
383.07770	29.1
384.07999	1.0
401.08826	2.8
409.05887	1.0
419.06323	1.5
427.07056	7.7
435.05661	1.8
443.02222	1.0
445.03882	4.2
461.03833	2.2
463.05109	8.0
507.39880	1.0
545.12891	1.0
785.14349	1.3
799.13000	0.8
801.12671	1.3
811.11481	0.9
827.11230	1.2
829.12952	4.0
845.11938	3.4
861.11340	2.0
871.09772	2.8
873.11554	11.9
874.11890	1.7
889.11108	4.7
890.11646	1.0
891.12677	10.6
907.08478	1.1
929.03833	1.3
961.06274	2.2
1015.14819	1.6
1031.12354	3.8
1041.12012	8.7
1059.13232	11.0
1060.15222	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02217	0.6
79.01783	1.9
81.03331	1.0
83.01259	1.4
85.02831	1.0
89.54440	0.6
93.03359	0.8
95.01265	15.1
96.95887	0.6
97.02821	4.6
97.21601	0.7
98.20550	1.3
105.03349	1.0
105.16500	0.6
107.01277	10.0
109.02855	2.0
111.00797	3.1
113.02341	1.1
115.05446	0.7
121.02825	1.6
123.00772	33.0
124.01600	4.5
125.02343	87.1
126.02694	1.5
127.00327	0.9
127.80409	0.6
131.04965	0.8
135.04437	0.8
136.98720	1.9
137.02336	1.7
139.00259	6.0
139.39188	0.7
140.01073	5.2
141.01840	2.3
143.03407	0.7
143.04991	0.8
145.02861	1.8
147.04427	1.5
149.02351	1.7
150.03281	0.8
151.00294	7.0
151.03883	1.4
153.01862	1.2
159.04422	2.5
161.02327	3.9
161.05940	1.0
163.00273	1.4
163.03929	2.2
164.01065	0.8
165.01814	0.9
165.05479	0.7
166.99788	13.6
167.03413	0.8
168.00562	11.0
169.01344	100.0
170.01700	2.9
171.04437	0.9
172.60138	0.7
173.02367	1.0
174.03181	1.6
175.03920	2.6
177.01849	3.3
177.05434	1.0
178.99796	2.4
179.03412	2.0
181.01375	1.2
183.04532	0.7
187.03986	3.7
188.04700	1.6
189.01924	1.4
189.05481	1.9
190.02629	1.1
191.03477	3.1
192.00528	1.0
193.01358	2.9
199.03952	2.3
200.47786	0.7
201.01926	0.8
203.03418	2.8
205.01363	3.4
205.04999	2.2
207.02902	1.8
211.02414	4.4
211.04088	0.8
213.02058	0.8
215.03503	2.9
217.01248	0.9
217.04970	2.7
217.46646	0.6
219.02905	1.1
221.00868	1.7
223.02455	1.3
227.03410	1.8
231.02969	1.7
233.04459	3.4
235.02431	2.1
243.02895	3.1
247.02451	0.9
251.05612	0.8
255.02986	5.9
259.02475	2.2
261.04068	1.7
263.05521	0.8
271.02460	14.7
277.03592	2.7
279.05154	3.0
283.02563	0.8
285.04025	0.9
295.04633	6.2
297.06204	1.2
297.35394	0.7
299.01923	6.1
299.99329	1.0
300.02682	12.4
300.99884	4.9
301.03516	6.3
302.00146	1.0
313.05673	8.4
387.06985	0.7
429.04501	1.7
431.06213	4.7
447.05640	4.4
449.07178	1.3
465.06830	7.0
472.24045	0.7
513.38049	0.9
548.24011	0.8
555.08386	0.8
599.06921	4.8
601.08173	3.5
617.07843	16.7
618.08167	1.3
749.10059	1.2
767.10974	2.1
769.08917	54.8
770.09149	6.2
790.02704	0.7
901.10840	4.8
902.13373	0.8
908.30151	0.8
919.12207	22.6
920.12927	2.4
1071.13220	56.9
1072.13550	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	1068.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01263	2.7
93.03328	1.3
107.01270	8.8
109.02817	1.4
121.01962	0.4
121.02842	7.6
121.03677	0.7
123.00748	0.4
125.02324	0.9
139.03918	0.3
145.02824	0.3
146.36006	0.3
148.39064	0.3
149.02316	1.2
151.00278	34.6
151.78975	0.3
152.00635	0.7
159.04453	0.6
161.02420	0.5
163.00304	2.0
163.03809	0.4
164.01048	0.5
165.01820	0.4
169.01346	4.4
170.01718	0.3
178.99779	17.1
180.00157	0.8
183.04385	0.4
187.03821	0.6
193.01392	1.0
201.05534	0.6
203.03381	0.4
211.04083	0.7
227.03406	0.6
229.04991	1.0
243.02817	0.4
244.36737	0.3
245.04535	1.6
255.02914	1.7
257.04675	0.4
271.02518	1.2
273.04025	2.2
275.01953	0.5
283.02521	0.5
299.02063	0.3
300.02689	2.1
301.03522	100.0
302.00430	0.6
302.03851	6.2
303.04105	0.5
313.05634	2.1
374.88110	0.3
463.08682	1.3
547.93634	0.4
593.50116	0.4
615.09906	34.2
616.10168	4.4
617.09760	0.5
640.18024	0.3
650.59442	0.3
964.74744	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
75.27704	0.4
77.14078	0.4
83.01254	2.7
93.03336	0.7
102.39740	0.5
102.57910	0.4
107.01269	8.6
109.02819	1.4
121.02843	7.5
123.00745	0.6
125.02325	1.5
149.02390	1.0
151.00279	29.3
151.56676	0.4
152.00627	0.7
159.04366	0.6
161.02303	0.9
163.00253	1.8
163.03886	0.7
169.01321	6.2
170.01851	0.4
175.03914	0.5
178.98210	0.8
178.99789	15.6
180.00066	0.6
187.03947	0.6
193.01277	1.0
201.01756	0.5
211.03862	0.6
215.01849	0.5
217.01450	0.5
227.03439	1.0
229.01216	0.7
229.04987	1.0
231.02847	0.7
239.03459	0.4
245.04517	1.5
255.02965	1.7
255.81702	0.4
257.01044	0.5
257.04553	1.0
273.03925	1.9
275.01941	0.6
283.04648	1.4
285.03979	4.1
299.99219	0.8
300.02695	1.9
301.00000	6.2
301.03500	100.0
302.00119	1.1
302.03793	7.5
307.07983	0.8
313.05624	0.9
568.88556	0.4
585.08850	35.7
586.09210	4.6
599.10126	0.9
917.06879	1.2
918.05511	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01776	1.2
83.01291	0.5
85.02842	1.0
95.01266	11.6
96.95914	1.0
97.02833	0.9
99.00689	0.7
107.01272	1.8
111.00797	0.7
113.02367	1.3
117.03362	2.5
119.04902	2.2
121.02862	1.1
123.00776	27.4
123.01675	1.4
125.02354	15.8
129.03314	0.9
133.02850	2.1
135.04433	1.5
137.02342	2.1
139.00266	2.2
141.01839	2.0
144.83611	0.6
145.02866	7.3
147.04430	4.5
149.02315	1.3
151.00272	1.3
157.02852	1.8
159.04509	1.2
160.01550	0.7
161.02351	8.6
162.03021	0.7
163.00275	1.8
163.03920	5.9
165.01897	3.5
166.99776	10.9
169.01350	20.5
169.02789	1.2
171.00754	2.0
173.02376	7.4
174.03114	1.3
175.00330	0.7
175.03946	8.5
176.01074	1.0
177.01878	1.7
177.05496	1.0
178.12202	0.7
178.99730	0.7
179.03448	0.9
185.02271	1.5
187.00281	2.4
189.01878	7.1
190.02588	2.0
191.03432	21.9
199.00299	1.5
199.03918	0.7
200.01038	1.3
201.01868	8.6
203.03415	6.7
204.03748	0.7
205.01384	1.5
207.02943	0.9
209.00848	2.9
213.01784	0.8
214.99843	2.8
215.03419	1.2
216.00653	1.7
217.01369	12.6
218.01788	0.9
219.02982	9.8
226.99806	1.5
227.03474	0.9
229.01367	5.4
230.01859	0.9
231.02887	1.4
233.00873	1.5
235.02414	4.8
242.99312	7.1
243.02931	1.2
243.99985	2.3
245.00880	13.8
246.01358	0.9
247.02451	16.5
254.99501	0.7
255.02969	1.5
257.00934	3.4
259.02396	1.2
259.99570	1.2
261.00391	11.0
262.00833	0.8
263.01929	10.7
270.98874	18.7
271.02161	1.8
271.99573	1.8
273.00400	18.9
274.01035	2.5
275.01984	4.2
283.99683	1.4
285.00241	0.9
288.99954	3.7
291.01404	5.8
297.00598	0.8
297.04059	0.8
298.98343	20.5
299.01523	1.0
299.99051	11.9
300.02716	3.0
300.99921	37.5
301.03357	2.4
302.00311	3.4
311.13449	0.7
316.99301	2.2
327.08521	0.8
335.00467	7.4
353.06738	1.2
369.06305	0.8
371.07809	1.1
397.05157	1.0
401.18195	14.9
413.05106	1.0
415.06519	2.2
425.01312	1.0
447.05417	0.9
464.49457	0.7
475.05121	1.6
477.06726	1.2
541.05957	0.7
557.05560	1.7
573.09021	0.7
585.05115	7.2
587.07037	0.9
591.10217	0.9
595.04059	4.3
601.08673	0.8
613.04706	6.3
615.09998	4.2
617.07861	41.4
618.08295	4.3
619.09698	1.6
627.06213	17.2
628.06915	1.5
631.09479	1.1
645.07343	100.0
646.07709	10.5
935.08600	1.1
1047.13062	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
98.19762	2.7
109.02898	1.0
110.32619	1.0
121.02803	1.2
123.00759	1.9
125.02350	4.3
132.02083	1.5
133.02892	2.1
137.02263	1.2
145.02867	4.4
147.04411	1.1
151.00272	1.8
160.01572	1.1
161.02367	3.4
163.03903	2.0
164.01042	1.2
166.99763	1.3
169.01328	5.8
172.01555	2.1
173.02422	5.9
185.02475	1.6
187.00327	2.5
188.01076	1.1
189.01866	4.4
190.99701	1.0
191.03413	3.1
192.03954	1.1
200.01079	4.0
201.01854	4.2
214.99765	2.8
216.00639	4.1
217.01320	6.1
226.99680	1.7
228.00620	3.1
229.01331	5.6
231.02869	1.2
242.99339	4.1
244.00128	5.0
245.00871	11.0
247.02437	4.6
249.04080	1.4
257.00900	2.6
258.01514	1.7
259.99515	1.3
267.06647	1.3
270.98877	8.9
271.01547	1.5
271.99585	3.1
273.00427	14.6
274.01035	3.1
275.02029	6.2
282.01321	1.2
282.99020	1.4
283.99622	2.6
285.00629	1.1
297.07693	2.6
298.98404	9.8
299.99127	100.0
300.99884	84.1
302.00317	5.3
316.99619	1.3
323.05670	3.8
325.07208	3.7
339.04959	1.7
341.06787	2.1
343.08231	1.9
351.04953	2.1
367.04559	1.5
369.05951	6.8
371.92816	1.4
390.53815	1.0
397.05658	1.3
413.04877	2.1
445.04309	2.1
463.05200	3.2
601.11993	96.9
602.12201	10.2
934.07355	1.3
983.11816	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	1065.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
84.58184	0.8
89.03857	0.9
91.39176	0.7
95.01276	4.5
96.95813	0.8
99.00803	1.0
102.05975	0.7
105.03362	0.9
107.01266	1.8
108.02066	1.9
109.02849	2.3
111.00763	1.2
113.02294	0.9
117.03354	4.1
119.01273	1.3
119.04920	2.6
121.02853	2.5
121.35474	0.8
123.00795	8.7
124.01555	1.9
125.02348	11.4
129.03362	1.0
131.01318	1.2
131.04987	0.8
132.02090	1.5
133.02858	5.9
135.04420	1.6
136.01523	0.9
137.02370	3.9
139.00296	1.0
139.03935	1.3
145.02869	12.4
146.03638	1.0
147.00763	1.8
147.04404	4.3
148.01559	1.6
149.02354	4.2
149.06003	1.1
151.00269	0.9
155.04845	0.9
157.02882	2.6
159.00810	1.3
159.04440	2.5
160.01611	1.5
161.02370	11.8
162.03110	1.3
163.00269	6.7
163.03958	5.9
164.01054	2.4
165.01860	3.7
166.99815	4.3
169.01355	12.9
171.00821	1.8
171.04445	0.8
172.01563	1.3
173.02383	15.1
174.03029	1.2
175.00226	1.2
175.03937	7.1
176.01082	2.1
177.01868	6.8
177.05429	1.5
178.99696	4.1
179.03456	2.0
183.04393	1.3
185.02382	4.7
187.00377	3.7
187.03952	2.4
187.41725	0.9
188.01050	1.6
189.01859	17.8
190.02618	5.9
190.99805	2.1
191.03421	11.2
192.00603	13.7
193.01357	9.5
193.04977	0.9
194.99355	1.0
197.02525	0.8
199.00305	2.4
199.04001	1.0
200.01091	3.5
201.01854	14.2
202.02563	1.5
202.99741	0.9
203.03442	6.8
205.01370	3.5
205.05048	1.5
207.02863	1.4
209.00867	3.6
211.03984	1.6
213.01837	2.0
213.05405	1.2
214.02669	1.6
214.99803	5.7
215.03345	1.5
216.00603	4.2
217.01373	24.2
218.02083	4.2
219.02966	6.1
221.00891	1.2
225.05499	1.3
226.02710	1.2
226.99860	4.5
227.03448	3.1
228.00606	3.4
228.04076	1.3
229.01405	15.7
230.02121	3.5
230.99348	7.6
231.02930	6.1
231.99985	1.8
232.03502	0.9
233.00928	1.7
235.02281	1.4
236.26814	0.8
239.03426	1.1
240.04330	0.9
241.01608	1.3
241.04974	2.3
242.02359	1.1
242.99323	8.2
243.03064	2.0
243.06424	0.9
244.00050	4.4
244.03738	1.2
245.00891	46.5
246.01537	5.2
247.02443	22.4
248.03154	2.6
249.04030	2.2
251.03357	1.2
253.01328	1.2
253.04951	1.1
253.08603	0.9
254.99458	1.5
255.02905	1.8
255.06564	1.0
257.00879	9.8
258.01599	3.1
259.02347	1.6
259.99536	1.5
261.00418	6.8
263.02036	1.3
265.04990	1.6
267.02975	1.9
269.00916	2.1
269.04492	2.4
270.95953	1.6
270.98856	28.1
271.01938	1.4
271.09808	0.8
271.99561	6.8
273.00415	83.6
274.01129	10.9
275.01999	31.8
276.02219	1.9
279.03027	1.0
281.00809	1.0
281.04599	1.3
281.08157	2.7
283.02530	2.7
283.05951	0.9
283.09802	2.8
283.99820	1.9
285.00342	2.5
285.03885	1.6
286.04791	0.9
287.05627	5.1
288.99951	2.4
289.07190	49.9
290.07581	2.4
291.01410	6.7
295.02615	1.0
295.06058	1.0
297.00494	0.9
297.04272	1.3
297.07626	3.6
298.01160	1.0
298.98370	33.9
299.01862	3.0
299.09280	2.8
299.99106	39.0
300.02582	1.9
300.99899	100.0
302.00314	7.9
303.00827	1.2
307.02527	1.3
309.04288	1.1
309.07785	2.8
311.01968	1.2
311.05341	1.0
313.00000	1.6
314.00787	1.6
315.01440	1.6
316.99429	12.8
317.99484	0.9
319.01382	1.0
323.05548	2.3
325.03760	1.4
325.07184	7.0
327.05048	1.1
327.08698	21.6
328.05740	1.2
328.09180	1.2
340.99313	1.5
341.06638	1.3
343.00949	3.8
343.08237	2.5
345.09933	1.5
351.05093	5.0
353.06665	12.6
369.06244	4.5
371.07724	27.3
372.07925	1.4
397.05630	12.5
398.05850	1.4
401.05063	1.3
415.06732	18.8
416.06793	1.3
417.04599	1.7
433.04456	2.0
435.05884	0.9
443.02597	1.6
445.04239	7.6
461.03665	7.4
463.05145	9.2
513.27020	0.9
515.11932	1.6
525.03247	1.4
527.04712	11.0
531.11719	0.9
533.13312	1.0
543.04120	2.0
545.05493	5.6
569.06232	1.4
600.69574	1.0
601.11920	11.2
602.13098	1.0
613.04773	5.3
631.05524	2.1
657.14642	1.0
667.13190	1.3
685.15002	1.5
695.05402	9.5
696.06012	1.3
713.06439	2.3
763.91565	0.8
764.06335	1.0
787.11145	1.1
789.12323	1.4
799.11969	1.8
815.10864	2.3
817.12048	3.0
833.11890	3.4
843.10669	0.9
859.09894	1.3
861.11475	2.6
879.12244	1.1
889.07416	1.2
906.07111	1.6
907.08777	1.1
932.05353	3.3
967.12524	1.6
985.13623	5.7
1003.14117	15.3
1004.16132	1.9
1011.10413	1.5
1021.14917	1.3
1029.12366	6.5
1047.12903	7.7
1048.12976	1.2
1065.14368	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
78.20519	0.1
79.01762	0.3
83.01265	0.6
85.02824	0.6
95.01271	0.9
97.02841	0.4
101.02333	0.9
101.67851	0.2
107.01275	4.1
109.02861	0.3
111.00770	0.8
113.02304	0.9
121.02850	0.3
123.00774	4.8
124.01594	0.4
125.02339	26.2
126.02670	0.6
130.96773	0.2
135.00819	0.2
136.98631	0.3
137.02339	0.3
139.00288	1.3
139.03912	0.3
140.01038	0.7
141.01837	0.6
145.02814	0.2
149.02342	0.3
151.00278	6.6
152.00673	0.3
153.01892	0.3
163.00343	0.3
168.00568	1.7
169.01340	43.9
170.01686	0.9
178.99818	0.3
179.03433	0.4
185.05975	0.3
187.03886	0.3
191.03334	0.2
193.01358	0.4
197.06004	0.2
199.03975	0.2
211.02377	1.3
211.03963	0.3
213.05551	0.4
223.02443	0.5
223.36684	0.2
227.03453	5.7
228.03929	0.2
229.05035	1.0
239.03442	0.3
241.03452	3.0
245.00789	0.2
253.03485	0.6
255.02975	9.7
256.03598	1.5
257.04575	0.9
271.02298	0.4
283.02490	0.5
284.03259	16.8
285.04022	13.9
286.04364	0.6
299.99469	0.2
300.02615	1.1
300.99838	0.5
301.03522	2.0
313.05649	12.3
314.05908	0.5
327.05038	0.3
369.06567	0.2
413.05215	0.5
423.59894	0.2
447.09378	1.9
463.08731	0.4
598.09741	0.5
599.10413	100.0
600.10754	10.8
761.15765	0.6
982.31293	0.2
1102.66614	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
76.58078	1.6
79.70005	1.4
85.02842	2.0
89.03869	2.1
95.01254	6.9
96.95924	2.0
107.01272	4.1
111.00773	2.2
113.02350	1.6
117.03342	5.3
119.04957	2.4
121.02837	3.7
123.00764	7.1
125.02349	17.6
129.03369	1.5
133.02827	5.1
135.04456	2.4
137.02357	4.7
145.02879	11.3
147.00746	1.9
147.04431	5.0
149.02397	3.1
157.02863	2.7
159.04402	2.0
160.01627	2.1
161.02347	15.2
162.03102	2.4
163.00266	6.2
163.03845	5.8
164.98183	2.7
165.01865	2.5
166.99713	2.5
168.00526	3.3
168.62910	1.4
169.01338	20.4
171.00801	2.7
172.01477	1.7
173.02374	12.0
175.00209	1.8
175.03922	4.9
176.01056	1.9
177.01846	4.2
177.05536	1.9
179.03406	1.8
183.04419	1.7
185.02338	5.4
187.00383	3.8
188.01074	3.3
189.01845	13.5
190.02550	4.4
190.99863	3.1
191.03465	10.5
193.01372	1.8
199.00288	3.2
200.01099	3.7
201.01875	10.0
203.03409	7.2
205.01326	3.0
207.02939	1.8
209.00861	3.5
211.02350	7.3
213.01805	2.3
214.99731	7.3
216.00522	4.0
217.01353	20.5
218.01836	2.2
219.03047	7.5
224.04477	1.8
228.00589	3.7
229.01349	15.0
231.02927	4.6
242.99294	6.8
243.99998	3.8
245.00882	41.5
246.01268	3.3
247.02405	13.9
249.03888	2.3
253.05150	2.4
255.03011	3.2
257.00925	6.4
258.01614	3.4
259.02466	2.4
261.00391	4.7
267.02930	2.1
269.00961	5.1
269.08087	2.3
270.98849	25.1
271.04663	10.3
271.99487	6.5
273.00415	64.1
274.00998	8.7
275.01913	21.7
276.02328	1.9
279.06644	2.3
282.01730	3.0
283.02231	2.1
283.99612	5.2
284.03253	2.4
285.00351	3.7
285.03839	2.2
288.99911	4.8
291.01465	4.5
295.06241	2.1
297.00400	3.7
297.07614	6.9
298.98380	36.0
299.09140	2.7
299.99133	23.2
300.99899	100.0
302.00223	9.9
307.02390	6.4
307.05881	1.9
308.03156	3.2
311.01913	2.0
313.00107	3.1
313.06799	2.0
315.01285	2.0
316.99384	9.0
323.05557	19.1
324.05966	2.3
325.00021	2.7
325.07236	8.3
331.06842	3.4
339.04889	3.6
341.06696	5.8
343.00925	3.7
343.08200	5.8
351.05118	29.8
369.01822	2.9
369.06174	42.2
397.05576	4.1
398.05823	2.3
413.04755	2.6
443.02219	2.2
445.04086	7.0
461.03439	4.2
463.05093	4.9
521.20270	5.6
541.22577	5.0
585.66479	1.6
785.09302	1.6
813.10022	2.5
815.10962	4.1
831.09741	3.0
877.07361	6.4
965.09296	4.7
966.09412	2.4
983.11646	15.8
984.11072	4.8
1001.13080	5.0
1002.14502	1.8
1031.13708	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	1059.6267
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00758	0.8
83.04914	1.1
85.02808	0.9
87.00714	1.5
87.10329	0.9
89.02329	1.2
93.06991	2.7
95.04910	0.8
98.20451	1.0
101.02306	2.2
111.08046	1.4
113.02290	0.8
121.10124	40.1
122.10502	1.4
137.05983	8.9
145.25522	0.8
155.07042	16.7
161.04492	1.1
165.09129	52.2
166.09383	1.8
174.26291	0.7
175.02539	1.1
183.13812	3.5
193.12225	1.3
195.13889	4.3
209.11823	2.6
211.13342	100.0
212.13719	3.1
223.13359	2.2
227.12593	0.8
235.08147	4.9
253.09259	15.8
275.20157	4.6
276.20328	0.8
277.21741	2.2
291.19687	1.1
293.21228	69.0
294.21591	4.2
295.22946	1.0
300.99884	1.3
358.21890	0.9
447.22308	13.9
487.34412	1.1
516.69763	0.9
529.30090	3.7
723.43274	2.2
905.01685	1.1
935.99469	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.6037
Annotation	Unknow
Peak:m/z	Relative Intensity
82.33295	1.4
83.67974	1.3
86.07448	1.4
87.00766	2.2
95.04911	2.4
97.02842	1.8
101.02337	3.7
109.06483	4.1
113.02380	3.5
121.10130	6.3
125.02352	1.5
127.61787	1.4
137.06059	1.5
143.03456	2.0
161.04433	3.0
163.11214	4.6
165.09134	13.7
166.09503	2.9
171.10184	67.1
172.10425	1.7
175.02400	1.9
181.12413	1.5
189.09209	2.1
197.11693	1.6
199.09727	4.0
201.11255	9.1
207.10188	15.4
211.13396	16.6
212.13766	4.7
225.11279	32.4
228.06448	1.5
235.08171	8.0
253.09261	9.7
277.21729	100.0
278.22113	5.9
293.21259	6.3
294.21545	3.5
300.99792	2.2
398.88974	1.4
407.19254	1.7
443.19199	2.9
443.25339	1.7
461.20151	9.1
695.40179	4.5
721.41736	12.1
739.42169	2.2
851.16107	1.7
1061.50098	7.6
1062.49963	2.5
1068.77100	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	1055.138
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01769	3.4
81.03326	0.8
83.01252	1.4
85.02830	1.2
85.18027	0.7
87.00728	0.8
91.76948	0.7
93.03325	1.1
95.01267	15.0
96.10081	0.7
96.95906	0.7
96.99257	0.8
97.02824	3.5
107.01279	8.7
109.02876	1.6
111.00761	3.7
113.02325	1.6
115.05428	0.9
117.03342	1.0
119.04908	1.0
119.91558	0.6
121.02879	1.0
123.00773	39.0
124.01566	3.0
125.02341	91.6
126.02685	2.3
127.00262	1.5
130.04109	0.8
131.04926	1.7
133.02859	1.0
135.04451	1.8
136.98715	2.5
137.02373	2.6
139.00275	7.5
139.94167	0.6
140.01051	5.6
141.01837	2.7
143.03450	1.0
143.04933	1.6
145.02856	2.5
147.04427	1.7
149.02371	2.8
150.03133	2.0
151.00307	3.2
153.01892	1.5
159.04439	2.5
160.01535	1.0
161.02327	4.1
161.06035	1.2
163.00246	1.1
163.03963	1.9
165.01819	5.0
165.05496	1.1
166.02689	0.8
166.99777	16.2
168.00584	11.3
169.01341	100.0
170.01682	2.3
171.04428	1.5
173.02406	1.2
175.03975	2.7
177.01872	3.8
177.05450	1.5
179.03444	2.2
180.04262	1.8
181.01350	1.4
181.04977	1.4
183.04425	1.1
185.06052	0.7
187.03952	3.3
189.01883	1.7
189.05516	2.8
190.02658	1.4
191.03416	3.7
192.00578	0.8
193.01442	4.2
193.04999	1.1
195.06583	3.0
199.04010	1.3
203.03464	2.1
205.01405	4.0
205.05031	1.9
206.02080	1.0
207.02946	2.2
211.02396	4.7
211.04117	0.8
214.02660	0.8
215.03419	1.6
217.01353	1.3
217.05005	3.1
218.02290	0.8
219.02905	1.3
221.00906	2.1
221.04460	1.6
225.07724	1.9
227.03484	2.8
229.05002	1.1
231.02948	2.1
233.04480	3.7
235.02480	1.6
239.03340	0.8
244.03226	0.8
245.00977	0.7
247.02463	1.0
249.04019	1.5
255.02946	8.0
256.03479	1.0
259.02432	2.2
261.04080	2.7
275.02100	0.8
277.03564	3.9
279.05133	3.6
283.02554	4.8
284.03217	3.9
285.04037	5.3
295.04623	5.2
297.06219	1.1
300.99896	3.9
302.00275	1.2
313.05698	7.4
347.11407	1.2
403.06610	0.9
429.04642	1.1
430.04749	0.8
431.06247	5.6
447.05673	6.5
449.06763	0.9
465.06818	5.8
523.21844	1.5
539.21558	1.3
599.06885	6.3
600.07196	1.4
601.08197	5.3
617.07806	18.0
618.08167	2.2
725.10406	0.9
769.08923	65.9
770.09357	8.6
885.11945	4.4
903.12189	8.4
1055.13672	39.2
1056.13574	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	1053.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
82.91029	0.2
83.01254	1.0
85.02821	0.4
87.36655	0.1
89.78413	0.1
91.01749	0.2
92.02605	0.2
93.03327	1.5
95.01273	0.5
98.20535	0.4
107.01272	3.0
109.02843	0.5
111.00793	0.3
113.02338	0.3
117.03365	0.3
119.01299	0.2
121.02859	0.2
123.00765	1.3
123.04446	0.2
125.02336	2.2
126.34369	0.1
128.80443	0.1
131.04900	0.4
133.02820	0.2
135.00752	0.5
137.02336	0.4
139.00246	0.5
140.01021	0.3
141.06955	0.2
143.04945	0.8
145.02872	0.4
151.00272	6.4
152.00659	0.2
153.01810	0.4
154.04079	0.3
155.04938	0.3
157.06509	0.5
159.04433	0.9
161.02319	0.2
163.00294	1.8
164.01057	0.6
165.01828	0.4
167.04916	0.5
168.00592	0.4
168.02930	0.2
168.05774	0.1
169.01346	4.7
169.06468	0.6
170.01578	0.2
171.04439	0.6
173.02267	0.2
175.03961	0.2
183.04428	0.4
184.05196	0.2
185.06023	2.2
187.03937	2.5
189.05513	0.7
191.03401	0.2
193.01398	0.2
195.04434	0.5
197.06038	0.6
198.03169	0.2
199.03938	0.6
201.05476	0.7
211.02351	0.4
211.03951	1.3
212.04640	0.2
213.05534	2.1
214.02600	0.4
215.03520	0.3
227.03502	1.9
229.05019	9.3
229.48756	0.2
230.05487	0.5
239.03482	1.1
240.04248	0.6
241.04951	1.2
243.02925	0.3
245.01051	0.2
255.02936	0.5
256.03726	0.5
257.04535	6.9
258.04892	0.4
267.03000	0.6
271.04541	0.4
275.01810	0.2
283.04593	15.4
284.05014	0.5
285.04037	100.0
286.01163	0.3
286.04379	6.5
287.04688	0.2
299.99042	0.2
300.99994	0.8
440.09686	0.2
483.09274	0.2
483.11688	0.2
483.18765	1.9
484.18945	0.2
569.09399	10.8
570.09509	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	105.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66165	0.8
54.97603	0.8
57.35690	0.7
59.01252	29.6
60.37908	0.7
61.06332	0.8
67.26198	0.9
68.19510	0.8
69.53589	0.9
69.53856	2.0
69.54252	3.6
72.99181	100.0
73.99529	1.4
75.00747	43.9
76.01095	1.0
98.20528	1.6
103.00262	1.0
105.01817	94.4
105.04465	3.0
106.02158	2.7
106.03977	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	1051.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
75.02266	0.9
78.08157	0.5
91.01264	0.6
91.01756	3.4
93.03373	0.9
96.95885	1.3
103.01736	1.1
108.02058	2.4
109.02832	0.8
114.91145	0.5
115.00244	0.7
116.92743	1.6
119.01247	4.6
119.04956	0.7
121.02830	1.7
123.00787	0.5
125.02354	0.8
131.01317	2.9
133.01358	1.1
133.02875	1.3
135.00743	0.5
135.04402	1.2
137.02313	2.1
147.00793	17.0
148.01561	4.0
149.02347	0.8
151.03891	1.1
153.05489	0.6
159.00800	4.1
163.00310	1.2
163.03905	1.4
165.01801	1.4
169.01312	1.8
175.00284	18.7
176.01060	16.9
176.02563	1.2
177.01772	2.5
178.99773	0.6
179.03453	3.0
190.02692	1.9
190.99754	2.5
191.03409	6.1
192.00658	2.8
193.01283	2.3
202.99794	25.3
204.00182	0.7
205.01295	0.8
207.02974	3.7
207.99927	0.7
209.00862	0.7
209.11725	1.4
211.13354	0.7
215.03215	0.9
218.99364	2.2
220.00128	1.5
221.00896	8.8
228.00504	0.7
229.01366	0.7
235.02441	20.9
236.02771	1.1
237.54716	0.6
246.98813	46.4
247.99234	2.0
256.00137	0.6
279.01462	100.0
280.01794	4.3
300.99866	1.3
313.07117	0.7
332.02078	0.8
542.40137	0.6
1019.38184	1.7
1051.40198	12.3
1052.40869	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	1049.041
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95615	7.5
95.01281	1.9
96.95892	75.8
117.03400	2.1
119.01237	1.7
123.00752	2.1
133.02859	2.9
145.02838	4.0
161.02342	4.0
163.00441	1.6
163.03920	2.8
169.01314	2.7
173.02319	3.6
173.79239	1.4
177.01863	2.9
185.02365	4.1
187.00383	3.0
189.01854	6.4
191.03406	3.3
201.01796	5.7
203.03304	1.9
203.74144	1.9
203.76108	1.6
205.01427	2.3
213.01797	1.5
214.99905	3.0
217.01421	7.2
219.02963	2.3
229.01376	6.4
231.02872	2.8
233.00793	2.1
242.99258	5.4
245.00874	15.0
247.02403	6.0
249.03995	2.6
257.00928	6.7
261.00317	3.4
270.98840	11.6
273.00403	15.0
274.00974	1.9
275.02066	11.9
298.98315	16.1
299.99072	13.1
300.99893	100.0
302.00226	5.2
316.99365	5.1
340.78113	1.6
349.90805	1.5
391.53537	1.6
463.05157	2.7
506.88098	1.7
591.05157	1.6
765.06177	2.2
933.06482	40.8
934.06372	7.0
951.06567	8.0
1058.76917	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	1049.0521
Annotation	Unknow
Peak:m/z	Relative Intensity
94.79332	1.1
96.95899	4.2
100.32996	1.2
117.03368	1.7
119.04922	1.2
123.00809	2.6
125.02354	2.7
133.02814	1.7
145.02863	4.6
145.97276	1.3
149.05998	1.0
154.00717	1.0
157.02831	1.5
157.40486	1.2
159.04457	1.1
161.02370	3.2
163.03934	2.0
169.01352	2.3
173.02376	3.4
175.03946	1.1
185.02380	3.0
189.01845	4.2
191.03404	3.4
201.01921	4.0
203.03346	2.6
214.99783	2.5
217.01440	6.6
219.03055	1.6
229.01411	8.0
231.02985	3.3
233.00723	1.7
241.65125	1.2
242.99377	3.4
244.00105	2.6
245.00838	10.8
247.02460	3.8
249.04092	1.5
256.31100	1.0
257.00946	4.4
258.01749	1.1
270.98785	11.8
271.99500	1.4
273.00403	15.4
274.01056	2.6
275.02005	9.4
283.96219	1.2
283.99728	3.4
298.01395	1.2
298.98364	11.1
299.99030	8.1
300.99896	100.0
302.00266	5.1
316.99179	1.7
445.03815	1.3
461.03516	2.1
463.05026	3.8
613.04309	2.0
708.36078	1.3
765.05951	2.2
915.05701	1.6
917.69263	1.3
933.06372	38.7
934.06854	5.3
951.07361	9.6
952.07715	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	105.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00818	2.2
51.84232	2.3
54.72179	2.3
56.32834	2.2
59.01028	2.4
59.01261	22.7
63.30114	2.3
70.69566	7.2
72.99185	100.0
75.00748	49.7
75.01141	4.3
94.57367	2.2
105.01818	90.3
106.02125	3.0
116.93185	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	1047.6255
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02837	0.9
81.03343	0.8
83.04897	2.6
85.02823	1.0
87.00751	1.1
89.02325	1.9
90.04578	0.4
97.02824	0.5
99.92465	0.7
101.02323	3.7
104.58926	0.4
109.06467	0.4
113.02326	1.7
116.92747	0.8
119.03400	0.7
125.09624	1.2
127.11169	1.6
130.35857	0.3
137.06029	0.4
137.09618	0.4
141.03951	0.3
145.04982	0.8
155.10645	0.7
161.04475	2.3
163.11249	2.2
165.09142	0.8
165.12764	1.3
166.48801	0.4
167.10672	2.3
171.10202	5.8
172.10536	1.2
179.05544	0.5
183.10117	0.6
191.10667	0.4
199.09665	1.0
199.13335	1.5
201.11266	28.1
202.11629	0.9
207.10165	1.5
209.11775	62.0
210.12164	2.0
225.11252	3.4
226.11624	1.1
227.12863	12.2
228.12979	0.4
235.08206	8.2
236.08528	0.5
253.09264	12.3
254.09663	0.7
264.48239	0.4
277.21722	100.0
278.22034	8.1
279.22531	1.2
301.54584	0.4
309.28192	0.4
389.17703	0.4
405.10278	0.9
419.19214	0.7
437.20328	1.5
445.20917	2.6
461.32404	0.9
463.21579	1.2
513.30676	3.4
697.41943	0.7
723.43555	3.9
724.43433	0.6
752.81134	0.4
1047.49512	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
72.43985	1.9
83.37933	1.8
91.01781	1.7
93.03334	2.1
95.01276	5.7
105.03304	1.9
107.01293	5.3
117.03338	3.4
117.95335	1.8
119.04932	2.0
123.00796	11.0
124.01646	1.8
125.02338	15.2
131.01254	2.0
132.02075	2.5
133.02873	5.7
137.02362	2.7
139.00331	2.1
140.01050	2.9
143.01305	2.5
145.02867	9.2
146.89607	1.8
147.00781	2.9
147.04401	1.9
149.02368	3.0
151.00291	10.4
152.03467	6.5
157.02905	2.3
159.00795	3.9
159.04337	2.1
160.01556	3.6
161.02423	8.4
163.00305	8.6
163.03902	5.3
165.01823	2.6
169.01334	21.2
169.06563	1.9
171.00688	4.0
172.01610	3.9
173.02327	10.7
175.04019	4.6
176.01118	2.2
177.01875	12.9
179.03343	1.9
185.02492	2.4
187.00322	13.9
187.03899	1.9
188.01120	6.3
189.01903	13.9
190.02647	5.1
191.03416	5.7
192.00674	1.9
193.01407	2.1
199.00363	2.0
200.01105	4.4
201.01981	8.3
202.99828	1.7
203.03474	6.6
205.01498	2.7
206.01923	1.9
214.99832	17.0
216.00609	11.7
217.01369	16.8
219.02902	4.0
226.99831	4.7
227.03444	6.2
228.00478	2.3
229.01346	14.2
229.05014	5.3
230.02046	2.4
230.99313	3.1
231.02939	4.6
232.00026	2.8
233.00916	2.2
239.03433	1.8
240.04305	1.9
242.99294	11.7
243.03006	3.0
244.00079	7.0
245.00905	24.6
246.01631	3.0
247.02458	9.7
248.03217	4.7
249.04008	5.0
254.99431	1.8
255.02982	6.6
257.01001	8.8
257.04526	5.5
258.01706	2.1
258.98907	4.7
259.99634	6.5
261.00443	6.6
270.98862	39.2
271.99515	8.7
273.00461	26.0
274.01230	8.8
275.01944	20.5
283.99612	4.8
284.03323	7.6
285.04062	100.0
286.04410	3.6
286.98462	2.9
291.01492	3.2
298.98358	41.3
299.99118	75.5
300.99905	82.3
301.03351	3.9
302.00223	5.8
302.98050	2.1
303.98587	4.1
313.05682	50.5
315.01443	4.2
316.99335	4.4
324.99985	2.7
353.06747	2.3
369.06232	5.5
371.07751	5.3
395.03973	4.0
397.05746	17.4
415.06897	2.7
447.09793	11.6
448.09824	2.4
463.05048	4.3
465.06873	4.7
499.00217	1.9
540.51166	1.6
599.10681	5.8
904.06549	2.7
931.04913	2.8
932.05457	25.7
933.06165	5.8
950.06732	8.5
1029.11768	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	1047.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
74.63388	0.3
83.01282	0.6
85.40450	0.3
86.18519	0.3
91.01770	0.3
93.03336	1.1
95.01266	0.5
107.01266	3.3
108.02118	0.4
109.02866	0.8
109.43716	0.3
111.00758	0.5
117.03368	0.7
121.02831	0.4
123.00771	1.6
124.01512	0.5
125.02348	2.3
133.02867	0.6
135.00841	0.4
137.02367	0.5
143.04935	0.8
145.02838	1.3
147.00787	0.5
147.04460	0.6
148.01544	0.5
151.00287	5.0
153.01747	0.3
159.04420	0.7
160.01567	0.5
161.02345	1.6
163.00287	1.9
163.03891	0.6
164.01088	0.8
165.01816	0.5
166.99818	0.4
168.00565	0.8
169.01349	4.6
169.06493	0.6
171.00725	0.6
171.04350	0.5
173.02356	1.2
174.03271	0.4
177.01820	1.4
183.04506	0.6
185.05981	1.7
187.00294	1.5
187.03954	2.0
188.01157	0.5
189.01837	1.2
189.05473	0.7
190.02695	0.4
191.03369	0.7
195.04381	0.4
196.05194	0.4
197.06094	0.6
199.03915	0.5
201.01904	0.8
201.05539	0.5
203.03546	0.6
211.04010	1.5
213.05518	1.8
214.99728	1.9
216.00485	0.6
217.01274	1.7
218.01950	0.3
219.02867	0.5
227.03487	1.6
229.01361	1.1
229.05016	6.2
239.03458	0.6
240.04420	0.5
241.04990	0.9
242.99367	1.7
243.03014	0.6
244.00075	1.0
245.00844	2.1
247.02449	1.0
249.03993	0.7
255.02849	0.7
256.03632	0.6
257.00909	0.8
257.04550	5.2
258.04684	0.4
258.98813	0.5
259.99677	0.5
261.00504	0.5
267.02975	0.7
270.98856	5.7
271.01883	0.6
271.99527	0.9
273.00418	3.9
274.01108	1.1
275.02023	2.0
283.99673	0.4
284.03165	0.7
285.04050	100.0
286.04376	6.7
286.98151	0.5
287.04587	0.5
298.98358	6.8
299.01321	0.2
299.99109	17.9
300.99878	10.8
301.03241	0.5
302.00363	0.4
303.98624	0.4
313.05661	15.7
314.00711	1.2
314.06027	1.1
315.01474	8.5
316.99304	0.5
371.07843	0.7
385.50266	0.3
397.05859	1.6
417.04315	0.4
447.05487	7.1
448.06027	0.9
461.03656	0.7
463.04993	0.5
599.10425	15.1
600.10974	1.3
612.50684	0.3
739.28070	0.4
932.05731	4.1
933.06317	0.7
950.06763	1.5
1029.11548	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
72.43985	1.9
83.37933	1.8
91.01781	1.7
93.03334	2.1
95.01276	5.7
105.03304	1.9
107.01293	5.3
117.03338	3.4
117.95335	1.8
119.04932	2.0
123.00796	11.0
124.01646	1.8
125.02338	15.2
131.01254	2.0
132.02075	2.5
133.02873	5.7
137.02362	2.7
139.00331	2.1
140.01050	2.9
143.01305	2.5
145.02867	9.2
146.89607	1.8
147.00781	2.9
147.04401	1.9
149.02368	3.0
151.00291	10.4
152.03467	6.5
157.02905	2.3
159.00795	3.9
159.04337	2.1
160.01556	3.6
161.02423	8.4
163.00305	8.6
163.03902	5.3
165.01823	2.6
169.01334	21.2
169.06563	1.9
171.00688	4.0
172.01610	3.9
173.02327	10.7
175.04019	4.6
176.01118	2.2
177.01875	12.9
179.03343	1.9
185.02492	2.4
187.00322	13.9
187.03899	1.9
188.01120	6.3
189.01903	13.9
190.02647	5.1
191.03416	5.7
192.00674	1.9
193.01407	2.1
199.00363	2.0
200.01105	4.4
201.01981	8.3
202.99828	1.7
203.03474	6.6
205.01498	2.7
206.01923	1.9
214.99832	17.0
216.00609	11.7
217.01369	16.8
219.02902	4.0
226.99831	4.7
227.03444	6.2
228.00478	2.3
229.01346	14.2
229.05014	5.3
230.02046	2.4
230.99313	3.1
231.02939	4.6
232.00026	2.8
233.00916	2.2
239.03433	1.8
240.04305	1.9
242.99294	11.7
243.03006	3.0
244.00079	7.0
245.00905	24.6
246.01631	3.0
247.02458	9.7
248.03217	4.7
249.04008	5.0
254.99431	1.8
255.02982	6.6
257.01001	8.8
257.04526	5.5
258.01706	2.1
258.98907	4.7
259.99634	6.5
261.00443	6.6
270.98862	39.2
271.99515	8.7
273.00461	26.0
274.01230	8.8
275.01944	20.5
283.99612	4.8
284.03323	7.6
285.04062	100.0
286.04410	3.6
286.98462	2.9
291.01492	3.2
298.98358	41.3
299.99118	75.5
300.99905	82.3
301.03351	3.9
302.00223	5.8
302.98050	2.1
303.98587	4.1
313.05682	50.5
315.01443	4.2
316.99335	4.4
324.99985	2.7
353.06747	2.3
369.06232	5.5
371.07751	5.3
395.03973	4.0
397.05746	17.4
415.06897	2.7
447.09793	11.6
448.09824	2.4
463.05048	4.3
465.06873	4.7
499.00217	1.9
540.51166	1.6
599.10681	5.8
904.06549	2.7
931.04913	2.8
932.05457	25.7
933.06165	5.8
950.06732	8.5
1029.11768	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	1047.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
77.86850	0.9
89.03834	1.2
89.05466	0.9
95.01273	4.4
97.46711	1.1
103.01777	1.0
105.03340	1.5
107.01251	1.1
117.03337	3.9
119.04949	1.6
123.00755	8.0
124.01559	1.3
125.02349	7.4
131.01308	2.6
131.04878	1.2
132.02071	1.4
133.02841	4.8
137.02350	2.3
143.01283	1.8
144.91533	1.1
145.02853	10.3
147.00748	2.1
147.04404	3.4
149.02396	1.9
151.00337	1.4
157.02841	1.4
159.00793	3.6
159.04436	1.6
160.01546	3.9
161.02345	10.7
163.00307	5.6
163.03937	5.7
164.00992	2.0
164.54332	1.0
165.01817	1.2
166.99789	3.0
168.00572	1.0
169.01363	5.8
171.00793	3.7
172.01572	3.6
173.02379	8.8
175.03943	4.4
176.01131	2.0
177.01854	11.1
185.02318	4.3
187.00281	14.0
188.01051	3.6
189.01860	14.9
190.02625	4.2
190.99788	2.3
191.03456	8.6
192.00444	1.3
198.16580	1.2
199.00301	2.5
200.01076	2.3
201.01889	10.4
202.02354	1.2
202.99852	3.0
203.03387	5.3
205.01393	2.1
214.99825	22.2
216.00485	9.6
217.01376	18.6
218.02066	3.6
219.02896	3.7
225.05486	1.5
226.99774	2.6
227.03510	2.1
228.00606	1.8
228.04120	1.3
229.01372	12.6
230.02144	2.2
230.99307	2.7
231.02957	4.7
232.00026	2.7
233.00874	2.2
242.99406	13.7
243.02875	1.6
244.00050	7.6
245.00879	30.4
246.01555	3.5
247.02472	8.6
248.03181	5.5
249.04028	7.2
251.03477	1.6
254.99182	1.8
255.02953	3.6
257.00906	7.0
257.08090	1.4
258.01703	2.7
258.98849	4.3
259.99539	8.8
261.00388	8.0
269.01019	1.7
269.04507	1.2
270.98859	40.6
271.02136	2.5
271.09772	1.3
271.99597	9.2
273.00391	36.3
274.01077	11.9
275.01981	23.3
283.99677	3.1
284.03278	2.5
285.03949	1.4
286.98410	5.0
287.99100	2.5
288.99783	2.2
290.00827	2.2
291.01483	4.1
298.98331	56.0
299.99127	80.1
300.02487	4.0
300.99884	100.0
301.06912	6.2
302.00256	7.0
302.97589	1.9
303.98593	3.6
309.03751	1.6
316.99280	5.1
324.99680	1.6
325.03476	1.9
327.08746	3.4
343.08389	1.4
369.06076	4.0
371.07721	9.8
397.05750	13.4
415.06693	4.9
445.04013	3.2
461.03372	2.4
463.05136	3.7
511.88391	1.2
563.13324	1.3
734.03748	1.4
762.03113	1.7
763.04004	1.9
843.10065	2.9
859.09491	2.5
861.11401	3.1
904.05585	3.0
906.08911	1.5
913.04004	1.8
914.04291	2.4
931.04541	2.4
932.05530	34.1
933.05737	4.1
950.06976	14.4
1011.12146	2.1
1029.11609	11.7
1047.12793	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	1045.6104
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02821	0.8
80.02552	0.8
81.03343	1.0
83.01244	0.6
83.04906	3.7
84.02025	0.4
85.02825	1.1
87.00752	0.6
89.02319	2.2
95.01261	0.4
95.04890	0.6
97.02824	0.3
98.19791	1.0
99.00806	0.2
101.02322	3.2
109.06529	0.3
110.45065	0.3
112.44768	0.2
113.02335	1.9
119.03356	0.7
121.10146	1.3
125.02348	0.3
125.06000	0.7
125.09611	2.1
127.11196	2.0
135.08092	0.6
137.09604	0.5
139.11205	0.6
140.45515	0.3
143.03435	0.5
155.06998	0.5
155.10680	1.2
161.04465	1.5
163.11217	4.1
165.09099	3.0
165.12798	1.8
166.09544	0.3
171.10182	4.4
172.10536	1.1
179.05508	0.9
181.12251	0.7
191.10646	0.6
199.09695	0.8
201.11261	43.9
202.11653	1.5
207.10178	0.9
208.10609	0.3
209.11774	100.0
210.12100	3.5
211.13387	0.5
225.11237	2.4
226.11592	0.7
227.12860	11.3
228.13138	0.4
230.64325	0.4
235.08180	3.4
253.09268	14.0
254.09613	0.6
269.00720	0.3
277.21722	75.2
278.22070	6.4
279.22382	0.7
295.22687	0.3
300.99826	0.4
405.17603	0.6
419.19049	1.4
437.20316	3.6
443.31491	1.4
445.20865	3.9
446.21054	0.5
461.32706	1.5
463.21219	0.4
502.72513	0.3
513.30682	1.4
697.41638	0.9
705.41992	0.3
723.41956	0.5
853.40564	0.3
1045.49463	1.6
1046.49304	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.6107
Annotation	Unknow
Peak:m/z	Relative Intensity
74.52563	1.6
78.95797	1.8
85.02814	2.3
87.00761	1.8
89.02315	4.6
95.01288	1.9
96.95867	2.9
97.02883	1.3
98.13739	1.3
99.00793	1.2
101.02345	5.6
108.26196	1.2
109.06478	2.9
111.08069	1.4
113.02302	3.2
143.03427	1.6
155.07007	2.3
161.04459	2.3
163.11218	4.4
167.10693	11.5
171.10184	50.1
179.10686	1.9
183.13823	2.0
189.09142	1.8
195.13766	2.7
197.11723	1.4
199.09651	2.9
199.13361	3.9
201.11337	7.2
207.10210	18.3
209.11792	3.7
211.13342	42.9
212.13724	2.2
215.12923	1.5
225.11279	37.9
226.11693	1.8
227.12871	8.7
235.08170	6.6
253.09268	15.2
272.88504	1.4
275.20029	1.8
277.21719	100.0
278.22076	9.4
291.19669	14.8
293.21310	5.9
401.66199	1.4
443.19073	2.6
461.20407	7.2
513.30585	2.6
695.40302	4.3
721.41345	10.1
722.42474	2.1
1045.48376	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	1043.5933
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99164	0.6
73.02821	1.7
76.50850	0.5
79.86413	0.5
81.03347	0.7
83.01263	1.2
83.04909	0.6
85.02824	1.6
85.18932	0.6
87.00740	2.3
89.02321	3.3
93.06996	0.6
95.01252	1.1
95.04907	1.0
97.02832	1.2
101.02299	4.6
109.02762	0.5
109.06459	3.3
110.03600	0.8
113.02314	2.4
119.03347	0.9
121.10102	5.5
125.02366	1.0
125.09621	1.7
125.94307	0.5
127.11171	1.8
137.05977	1.5
143.03381	0.9
145.04987	0.8
149.09535	0.7
155.07014	1.9
161.04430	1.7
161.09612	1.0
163.11208	4.9
165.09123	10.2
169.01385	0.6
171.10182	67.0
172.10506	1.5
179.05595	0.8
179.10762	0.9
181.08600	0.6
181.12326	1.2
185.11752	1.3
189.09142	2.0
195.13763	0.5
197.11780	2.0
199.09631	2.9
201.11235	8.5
207.08693	0.4
207.10205	16.4
209.11801	1.7
211.13271	2.6
225.11270	41.6
226.11455	0.8
227.12935	1.2
234.93478	0.6
235.08185	6.5
243.12422	1.2
253.09274	12.5
275.20218	0.9
277.21716	100.0
278.22104	4.5
293.21240	3.4
301.00226	0.8
309.20776	1.3
407.19196	1.6
435.18814	0.8
443.19000	3.6
461.20313	8.0
513.30682	0.6
571.94739	0.5
625.41852	0.6
687.64136	0.6
687.78162	0.7
695.39911	3.7
721.41565	10.4
722.41376	0.8
739.42017	1.2
907.74310	0.7
1043.45447	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.388
Annotation	Unknow
Peak:m/z	Relative Intensity
87.24032	0.6
89.02319	0.8
92.00728	0.6
92.48301	0.7
93.03339	6.5
95.01257	1.5
95.04880	1.0
97.70396	0.8
101.02377	1.0
101.80110	0.6
108.02032	1.1
109.02844	2.9
121.02869	8.0
122.03632	14.0
123.00774	3.3
123.04443	1.6
125.02338	2.5
133.02870	2.0
134.03600	1.2
136.01559	8.7
137.02347	13.1
138.03084	2.5
139.00348	0.8
139.03923	1.3
145.02853	1.0
146.03627	1.2
147.04388	0.9
149.02354	30.2
149.05946	1.4
150.03131	100.0
151.00267	7.5
151.03929	9.7
152.01050	1.5
152.04681	1.3
153.01849	1.0
161.02364	2.1
162.03127	1.6
163.03912	1.5
164.04724	6.3
165.01851	30.5
165.05486	86.1
166.02631	18.6
166.05835	2.2
167.03381	1.9
169.01376	2.7
175.03934	1.1
177.01869	2.0
177.05453	4.1
179.03383	6.8
179.07062	5.2
180.04201	21.2
181.04980	24.8
184.03671	1.2
187.03967	1.8
190.02582	0.8
192.04108	0.8
193.05057	2.1
194.05821	1.3
195.02911	1.8
195.06560	82.6
196.06982	1.9
203.03336	1.0
204.04247	0.8
205.05014	3.8
206.05734	0.9
207.06581	1.9
208.30014	0.7
209.08141	2.1
210.05264	2.8
219.06625	1.4
220.07330	1.9
225.07639	15.6
282.05536	0.9
294.22818	0.7
297.07629	1.0
300.99811	3.5
315.08670	0.9
329.10620	0.9
341.10309	0.8
343.11948	2.4
357.09741	1.0
372.12210	1.1
373.12894	11.5
387.10641	2.3
387.15039	5.2
402.13162	1.7
403.14032	5.0
416.14871	1.5
417.15540	19.1
418.15848	1.5
421.14987	8.0
535.15552	1.7
550.18292	1.3
564.20032	1.0
565.20782	26.8
565.29584	1.3
566.21259	1.4
595.21887	14.9
613.22925	13.9
643.24286	1.7
743.27673	4.4
773.28125	3.0
791.29083	3.6
821.30945	1.7
839.31305	2.5
1035.37854	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.6314
Annotation	Unknow
Peak:m/z	Relative Intensity
73.79317	0.7
74.02347	1.7
80.02536	0.8
80.92864	0.7
81.03315	1.5
83.04905	3.9
85.02815	1.9
86.02370	0.8
87.00750	1.3
89.02316	2.9
95.04894	1.1
96.95881	4.1
99.05536	1.4
101.02306	2.6
106.01378	0.7
113.02319	1.5
116.92731	2.6
125.02355	1.4
127.05065	0.8
128.03456	4.8
135.08128	1.0
143.04501	6.4
160.00624	1.9
161.04453	1.1
163.11183	3.7
165.12730	7.0
169.01266	1.8
171.10144	1.7
179.04510	1.4
180.28142	0.9
191.10687	1.1
195.13837	7.4
209.11772	89.5
210.08849	1.4
210.12111	2.9
211.13347	2.7
223.13300	3.5
227.12822	12.2
235.08156	2.2
247.20621	2.1
253.09253	18.9
254.07877	1.5
256.12991	1.1
272.08826	2.5
273.18701	1.3
275.20169	7.6
291.19678	13.9
293.21228	100.0
294.21692	4.6
299.99167	1.1
300.99637	1.7
306.07712	16.1
307.08008	6.8
308.07474	1.1
341.23233	1.2
367.71530	0.8
395.54395	0.9
407.06558	0.8
445.20560	2.1
485.32639	1.6
503.33267	1.1
529.30298	2.3
641.03076	1.0
781.51660	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
73.91832	0.4
82.48110	0.4
83.01285	0.4
97.02838	0.8
101.02282	0.4
107.01284	4.6
109.02794	0.5
111.00790	0.6
122.39445	0.4
123.00761	2.6
125.02338	23.1
139.00275	0.6
140.01070	0.5
151.00276	3.6
153.27701	0.5
157.52773	0.4
163.00278	0.6
168.00551	1.0
169.01340	34.4
170.01678	0.5
187.03899	0.5
199.03943	0.6
211.02339	0.8
211.04156	0.4
215.07248	0.4
227.03479	6.2
229.04997	1.4
241.03409	2.4
255.02963	12.9
256.03622	1.2
257.04510	1.5
283.02246	0.6
284.03265	13.9
285.04028	13.8
286.04382	0.5
299.99347	0.6
301.00031	0.4
313.05670	9.4
360.85449	0.4
447.09219	1.6
574.16907	0.5
599.10419	100.0
600.10736	10.7
689.46368	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01267	1.4
85.02828	0.3
91.13783	0.2
92.52368	0.2
93.03334	1.2
95.01273	0.5
96.19492	0.2
98.18798	0.2
107.01278	3.4
109.02831	0.6
113.02325	0.3
117.03330	0.4
119.01333	0.3
122.75918	0.2
123.00779	1.6
123.04404	0.2
124.01559	0.2
125.02333	2.0
131.04900	0.3
133.02863	0.2
135.00766	0.5
137.02324	0.2
139.00255	0.4
140.01048	0.3
141.01772	0.2
141.06978	0.3
143.04942	0.9
145.02840	0.5
145.06470	0.2
151.00281	7.0
151.01506	0.4
152.00650	0.2
153.01820	0.4
154.04108	0.3
155.04865	0.2
156.05853	0.2
157.06480	0.4
159.04466	0.8
163.00276	1.7
164.01033	0.5
165.01857	0.4
167.04887	0.6
168.00526	0.8
169.01353	5.0
169.06505	0.7
171.04474	0.8
173.02435	0.2
173.05968	0.3
182.03613	0.2
183.04440	0.2
185.05991	2.0
187.03955	1.9
189.05518	0.9
195.04411	0.4
196.05240	0.4
197.06001	0.6
198.03125	0.3
199.03954	0.5
201.05499	0.7
211.03944	1.4
212.04559	0.3
213.05478	1.9
214.02560	0.3
215.03471	0.6
223.04108	0.2
227.03477	1.6
229.05014	8.9
230.05368	0.3
239.03424	1.1
240.04214	0.5
241.05052	1.4
255.02982	0.5
256.03671	0.5
257.04547	7.0
258.04846	0.4
267.02966	0.5
270.98889	0.3
284.03201	0.5
285.04037	100.0
286.04410	4.1
298.98318	0.2
299.99115	0.5
300.99838	0.5
313.05652	14.4
314.05969	0.6
327.79819	0.2
421.88293	0.2
447.09299	0.3
599.10431	14.2
600.10486	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.5696
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	26.7
81.03312	3.8
85.02824	7.6
87.00761	3.5
89.02328	16.1
94.64791	2.9
95.04910	3.1
97.02817	6.6
97.06474	3.1
101.02317	13.2
113.02309	10.6
119.03372	4.7
123.04382	3.7
125.02343	8.7
125.09597	5.1
134.77832	3.0
143.03412	6.6
161.04483	4.5
163.11205	6.8
177.72975	3.4
179.05556	8.0
185.11742	7.4
191.14330	14.0
207.10175	5.2
209.11731	20.6
235.08215	8.8
245.19041	14.2
263.20102	4.5
277.21735	82.5
278.22177	5.0
289.18100	100.0
290.18427	3.1
305.08838	3.2
307.19131	98.0
307.22623	5.8
308.19525	5.3
379.12448	4.6
397.13486	55.3
415.14740	21.8
687.32031	3.8
704.42517	3.4
965.54022	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	1027.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
78.17487	0.4
83.01269	0.6
93.03354	0.4
95.86014	0.3
107.01293	2.6
108.02031	0.9
109.02850	1.3
119.01310	0.4
121.02836	1.2
125.02316	1.0
135.00763	1.0
147.04413	0.4
148.01563	0.6
151.00293	6.3
153.01768	0.5
157.06569	0.5
159.04387	0.8
163.00272	2.7
164.00986	0.6
165.01794	0.5
167.04839	0.6
169.01350	2.1
169.06627	0.4
171.04442	0.6
178.99792	3.6
183.02928	0.6
185.02374	0.5
185.06064	0.9
187.03917	1.7
189.05443	0.7
199.03934	1.1
201.05583	0.6
211.03934	1.6
213.05519	1.3
215.03522	0.5
226.02733	1.0
227.03470	14.9
228.03841	0.4
229.05009	5.8
239.03403	1.1
241.05138	0.7
243.02925	6.4
254.02214	1.0
255.02977	39.0
256.03561	2.6
257.04572	3.4
267.02939	0.7
271.02487	28.8
272.02911	2.2
273.03787	0.6
283.02551	0.9
284.03271	36.9
285.04041	48.1
286.04431	2.3
299.02029	1.2
300.02747	55.8
300.99930	2.3
301.03467	29.5
302.03793	1.2
309.97427	0.4
327.05051	0.6
332.85681	0.4
433.07761	63.0
434.08301	3.6
458.03012	0.5
593.15112	100.0
594.15417	8.1
600.11005	0.6
926.64191	0.4
977.37506	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.138
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57761	1.7
89.03883	1.1
95.01263	4.1
95.04874	1.3
98.09436	1.0
107.01264	1.2
117.02652	1.0
117.03321	5.7
119.04920	3.5
123.00733	5.8
125.02325	9.5
129.03387	1.2
133.02863	4.3
135.04446	1.9
137.02344	2.0
141.34966	1.2
143.01262	1.5
145.02869	17.3
147.00800	1.2
147.04414	4.4
149.02328	2.0
151.00311	1.1
157.02884	2.2
159.00824	1.6
160.01573	2.8
161.02362	15.0
162.03046	1.7
163.00212	2.8
163.03929	8.3
165.01903	1.2
166.99759	2.7
168.00462	1.9
169.01401	8.3
169.02693	1.9
171.00760	2.6
172.01535	2.9
173.02373	13.1
174.03101	1.7
175.00348	1.8
175.03937	6.1
176.01079	3.1
177.01843	3.5
179.03387	1.2
183.04567	1.4
185.02365	3.8
187.00282	4.5
188.01085	2.7
189.01855	20.9
190.02589	4.6
190.99844	1.2
191.03430	13.4
192.00595	1.3
193.01434	1.2
193.05019	2.0
197.02249	1.2
197.06001	1.1
199.00307	3.6
200.01086	4.6
201.01866	10.5
202.02289	1.8
203.03519	5.1
204.00545	2.0
205.01340	2.8
213.01848	2.0
213.05362	1.8
213.09344	1.5
214.02641	1.3
214.99806	6.5
215.03462	1.4
216.00542	5.3
217.01381	26.6
218.02078	4.1
219.02933	9.2
225.05394	1.2
225.09213	1.2
226.02576	1.3
226.99783	4.6
227.03465	3.6
228.00578	4.2
228.04196	1.2
229.01360	14.6
230.02074	2.0
230.99348	1.8
231.02968	2.8
233.00874	3.5
235.02414	2.1
239.03366	2.5
239.07011	1.4
240.04149	1.6
241.05051	1.2
242.99286	8.1
243.02914	1.9
244.00041	5.2
245.00882	64.9
246.01509	5.3
247.02420	13.7
251.03496	3.1
251.07190	1.3
252.04160	1.8
253.08679	2.0
255.02901	3.2
256.03903	2.0
257.00922	5.9
258.01691	1.8
261.00369	6.6
263.01828	1.9
264.04395	1.8
266.02258	1.2
267.02936	3.8
267.06595	1.9
268.03751	1.9
269.01028	6.7
269.08279	2.2
270.98856	25.0
271.02066	2.1
271.99515	7.8
273.00400	100.0
274.00958	7.1
275.01959	16.2
279.03107	1.3
279.06793	2.2
281.04706	1.9
281.08160	3.3
282.01779	1.5
283.02542	2.6
283.05670	1.3
283.99789	2.3
285.00412	6.2
285.03781	2.4
285.07422	1.2
288.99951	2.9
291.01437	5.5
295.02585	1.2
295.05981	2.2
296.03281	1.3
297.00415	3.0
297.04111	2.5
297.07602	12.8
298.98355	38.1
299.05630	1.5
299.09232	2.5
299.99136	20.8
300.02408	1.8
300.06299	1.8
300.99896	68.0
302.00339	3.0
307.02457	3.4
307.05881	1.4
308.03192	1.3
311.02026	2.3
311.05411	1.9
312.99899	1.7
313.07361	5.1
315.01422	1.9
315.08792	2.2
316.99414	11.7
322.01248	1.4
323.05603	12.9
325.03699	1.9
325.07181	11.2
326.07571	1.4
339.05090	4.3
341.03021	1.8
341.06696	12.9
343.00729	1.5
343.08160	13.0
349.03561	1.6
351.05057	30.1
352.05389	2.1
353.06409	1.9
367.04575	4.7
369.06137	74.4
370.06512	5.7
387.07257	3.0
433.04330	2.0
443.02505	1.4
445.04205	7.6
457.11920	1.2
461.03665	7.8
463.05246	5.0
495.09232	1.3
513.10510	3.3
531.11456	4.4
613.04535	4.4
631.05811	1.7
769.10364	2.4
785.09460	1.8
795.08038	1.8
797.10193	2.2
813.09570	4.8
815.11072	5.3
831.10718	7.6
833.11536	1.8
877.06989	9.4
965.09106	2.6
973.13977	2.0
983.11774	19.8
984.11517	3.1
1001.12482	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	1017.288
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	0.4
74.64493	0.1
78.53127	0.1
79.01758	0.1
83.01266	0.5
85.02794	0.2
93.03400	0.1
95.01248	0.2
98.20451	0.1
101.02322	0.3
107.01270	2.5
108.02072	0.5
109.02800	0.5
111.00761	0.2
113.02297	0.2
114.31214	0.1
121.02840	1.0
123.00771	1.3
124.01566	0.3
125.02336	7.7
126.02706	0.1
133.02861	0.1
135.00755	0.2
137.02284	0.1
139.00259	0.4
139.03848	0.1
140.01070	0.2
141.01833	0.3
143.18562	0.1
147.00703	0.1
148.01584	0.5
149.02353	0.3
151.00278	6.8
152.00748	0.2
153.01860	0.1
159.04471	0.2
161.02373	0.1
163.00266	1.1
164.01022	0.4
165.01823	0.1
168.00511	0.3
169.01340	9.9
170.01657	0.3
175.00279	0.1
176.04535	0.1
178.99786	3.3
187.03990	0.3
190.99825	0.1
192.00618	0.4
193.01355	0.2
199.03860	0.3
203.03368	0.2
211.02367	0.6
211.04077	0.2
214.02650	0.1
215.03479	0.3
216.04120	0.2
226.02664	0.5
227.03476	1.0
229.04955	0.3
239.03561	0.1
241.03522	0.5
243.02959	3.6
244.03545	0.3
245.04645	0.6
253.03539	0.1
254.02211	0.9
255.02965	12.8
256.03381	0.7
257.04544	0.2
271.02460	23.4
272.02942	1.7
273.04056	0.5
283.02399	0.9
285.03949	0.2
298.98813	0.1
299.02054	0.5
300.02744	54.4
301.03470	23.7
302.03821	1.3
313.05710	2.4
314.06253	0.2
331.06766	0.1
343.04581	0.3
401.18146	0.2
463.08838	14.7
464.09146	1.2
598.27295	0.1
615.09882	100.0
616.10229	9.6
721.79877	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5475
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	43.4
71.55822	3.9
72.99185	3.2
73.02835	4.9
79.95626	2.7
80.20811	3.2
81.03344	3.1
83.01241	6.3
83.04897	6.5
84.03002	2.1
85.02820	13.3
87.00751	10.0
89.02321	39.1
95.01255	5.8
95.04912	2.3
96.95893	32.8
97.02813	11.3
97.06475	8.2
99.00747	2.5
101.02321	33.7
107.64469	2.6
109.06466	3.7
111.08029	16.3
113.02337	17.9
116.92748	8.3
119.03400	9.5
123.04395	2.8
125.02326	16.9
125.09628	14.9
125.80511	2.2
131.03473	3.2
137.09653	4.0
143.03419	5.4
161.04478	6.8
163.11188	9.9
165.12756	4.4
169.01390	6.5
169.12231	7.1
171.10152	9.6
179.05495	7.7
181.12270	7.4
185.11742	13.0
191.14351	13.6
193.12184	3.5
197.11765	97.3
198.12183	2.8
199.13316	3.6
207.10155	3.9
209.11766	29.1
211.13275	15.3
221.06619	4.8
225.11253	5.5
227.12863	12.0
235.08160	7.0
237.11221	3.1
245.19075	19.6
253.09303	2.2
258.63037	2.4
263.20087	10.3
289.18109	94.2
290.18375	6.9
291.19678	47.4
292.19904	5.3
293.21234	8.8
296.59302	2.3
300.99869	5.6
307.19138	64.9
308.19434	4.9
309.20709	100.0
310.20984	9.7
341.23419	17.2
342.40323	2.2
397.13489	41.5
415.14600	29.9
705.32837	2.5
881.69153	2.9
1047.12830	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	1015.5994
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01244	3.4
71.56466	0.7
71.56839	0.8
71.76147	0.5
81.03345	0.7
83.01226	0.5
83.04909	2.7
85.02858	0.9
87.00768	0.6
89.02310	1.9
95.01246	0.8
96.95911	1.2
99.08038	0.6
101.02328	3.0
113.02325	1.6
116.85239	0.5
116.92750	4.3
125.05973	0.5
130.02196	0.5
130.65269	0.5
137.05995	0.9
145.04967	0.9
155.07080	1.0
158.63005	0.6
161.04465	1.1
163.11172	2.1
165.12730	1.1
167.10704	7.9
195.10208	1.4
202.54941	0.5
209.11771	75.3
209.50589	0.5
210.12151	3.2
227.12836	10.2
227.14886	1.0
235.08182	8.2
245.19261	0.6
253.09259	9.5
257.81033	0.6
263.20145	100.0
264.20520	4.9
277.21713	1.6
445.20593	0.9
471.26199	0.5
499.29605	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5484
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	34.5
71.57128	2.9
72.99181	3.2
73.02838	6.0
74.96394	1.7
83.01276	6.2
83.04890	2.7
85.02821	8.7
87.00758	9.7
89.02318	25.3
95.01283	2.8
95.04903	3.2
96.95905	16.6
97.02837	6.3
97.06468	5.5
99.00703	2.1
101.02321	27.4
106.85509	1.5
110.31516	1.6
111.08039	14.6
113.02339	15.6
116.92780	13.1
119.03392	10.6
121.06435	1.9
123.04417	2.8
125.02358	11.3
125.09605	9.5
127.07600	2.4
137.09641	2.0
143.03409	4.4
149.04506	2.7
151.11244	2.9
160.00742	1.9
161.04494	6.4
163.11203	5.4
165.12778	5.0
169.01392	1.9
169.12250	7.5
171.10182	2.1
179.05568	7.4
181.12285	3.6
183.13837	3.9
185.11734	7.1
191.10707	2.4
191.14378	8.4
193.12173	1.7
196.21989	1.8
197.11768	85.8
198.12135	3.5
199.13364	5.4
207.10185	3.5
209.11781	17.0
211.13322	13.5
221.06586	2.9
227.12875	16.8
235.08260	8.3
238.47583	2.0
245.19098	16.4
263.20175	11.6
265.18015	2.5
271.17151	2.6
289.18103	56.9
290.18604	2.4
291.19687	31.6
292.20016	2.3
306.07742	4.7
307.07898	1.9
307.19171	56.0
308.19443	2.3
309.20712	100.0
310.21057	5.6
325.20221	2.1
379.12589	2.1
397.13467	33.9
415.14468	19.7
607.26318	3.6
622.22675	2.0
705.33563	4.2
710.77264	2.3
937.78680	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	101.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11762	5.2
55.01759	42.6
57.03325	30.6
58.00480	11.6
59.01253	90.1
68.99678	12.7
70.59292	6.8
70.59637	15.3
71.01256	65.4
72.99184	7.2
73.02820	100.0
79.08949	5.1
79.62247	5.5
83.01272	10.6
100.94490	39.4
100.99802	14.8
101.02330	78.8
101.02939	9.3
102.02697	6.6
102.05527	11.0
104.97610	5.1
115.91959	17.0
116.91901	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	1015.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
70.51234	1.8
74.52589	1.6
79.28797	1.7
85.20334	1.8
88.32823	1.8
95.01253	2.5
102.06474	1.6
111.00759	2.9
117.03336	2.8
121.02838	2.6
123.00789	4.5
125.02331	7.1
133.02832	4.5
137.02373	2.9
145.02853	4.9
147.00748	4.1
147.04414	2.8
149.02336	5.0
151.00220	2.4
161.02351	7.7
163.00328	2.2
163.03926	5.0
165.01877	2.7
169.01341	7.4
173.02351	4.9
175.00244	2.0
175.03925	2.5
176.01064	2.5
177.01857	6.9
185.02379	3.5
187.00269	6.7
189.01900	7.7
190.02534	2.2
191.03421	4.2
193.01404	3.4
201.01819	6.3
202.99829	2.5
203.03246	3.7
204.00481	2.4
205.01366	6.8
207.03059	3.0
214.99811	3.7
216.00575	2.1
217.01482	9.0
219.02919	2.3
221.00775	3.5
229.01328	8.4
230.99353	3.8
231.03014	3.5
233.00858	9.8
242.99257	3.9
244.00053	3.5
245.00917	11.6
247.02368	5.6
249.00179	2.3
249.04018	4.6
255.03331	2.2
257.00812	5.0
258.01743	2.1
259.99606	3.0
261.00302	9.8
270.98813	8.8
271.02277	3.2
273.00327	11.0
274.01105	2.3
275.01968	16.8
276.02350	2.7
276.99963	3.1
283.99524	3.6
286.98267	7.7
287.98682	2.7
289.00043	10.4
291.01233	2.6
298.98349	12.8
299.99158	12.3
300.02521	3.2
300.99899	100.0
301.03195	3.5
302.00259	8.7
303.00989	3.6
304.99561	3.0
307.00894	2.9
314.97849	3.2
315.98520	2.7
316.99396	21.8
317.99939	2.0
319.00714	3.5
399.07693	2.5
419.40308	2.1
615.09711	10.8
633.06677	2.8
965.09821	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	1005.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
70.43526	0.4
71.01253	3.4
72.99165	0.5
73.02816	0.4
79.01768	0.8
82.15242	0.4
83.01265	0.8
85.02818	1.2
87.00768	0.6
89.02307	0.8
95.01282	1.9
97.02825	0.6
101.02327	1.2
107.01273	5.0
109.02871	0.4
109.99986	0.6
111.00779	3.5
113.02302	0.7
123.00771	13.7
124.01515	2.6
125.02338	30.0
126.02615	0.4
127.00285	1.5
136.98697	2.2
137.02350	0.6
137.09583	0.9
139.00252	5.2
139.03949	0.7
140.01067	5.4
141.01843	2.0
151.00275	10.3
153.01848	0.5
163.03960	0.5
165.01862	0.6
166.99690	0.5
167.03406	1.6
168.00562	12.3
169.01340	41.3
170.01718	1.1
177.05344	0.3
179.03528	0.4
181.05026	0.5
211.02423	47.5
212.02789	1.1
241.03569	1.2
271.04587	72.8
272.05008	3.1
300.99872	0.9
313.05673	1.0
331.06708	21.2
332.06915	0.6
453.17880	2.0
483.18701	100.0
484.19049	6.4
521.20276	35.6
522.20642	3.1
556.47223	0.5
641.31830	0.5
843.27533	0.4
950.99438	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1008.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
77.66242	1.6
83.25737	1.6
93.03330	2.2
103.83171	1.8
110.44572	1.5
110.59733	2.0
113.24226	1.8
123.00726	3.3
125.02303	3.8
137.02318	2.2
145.02878	4.4
147.04460	2.3
151.36597	1.8
159.04486	1.7
160.01534	2.4
161.02383	4.0
163.00296	2.3
163.03870	4.0
166.81445	1.7
169.01341	3.0
169.33946	1.9
171.00772	2.0
173.02318	4.7
175.03944	2.6
177.01817	4.6
185.02339	3.2
187.00293	4.2
189.01833	9.0
191.03470	3.6
201.01855	5.7
202.02629	2.3
202.99887	2.0
203.03517	2.6
205.01361	3.2
214.99763	6.0
215.03412	2.6
216.00581	4.3
217.01361	7.8
218.01938	2.6
219.02930	2.8
229.01326	7.3
230.01532	2.2
230.99458	2.2
231.02957	4.1
233.00845	2.3
242.99245	5.5
245.00856	13.2
246.01581	3.2
247.02394	8.6
249.04001	2.9
257.00873	5.3
258.01208	2.3
258.99075	1.8
259.02396	2.4
261.00354	6.5
268.02231	1.8
270.98816	19.7
271.99527	3.2
273.00409	22.3
274.01114	5.6
275.02005	13.1
283.99350	2.3
285.00299	2.3
286.03534	5.4
286.98517	1.9
287.01752	1.9
288.99921	4.1
291.01486	4.2
298.98297	32.6
299.98962	21.1
300.99875	100.0
302.00296	8.3
302.03183	2.2
303.00537	2.2
308.50668	1.8
312.01398	3.4
312.99854	4.4
314.03076	4.2
314.97800	3.3
315.98279	4.2
316.99341	12.0
317.99805	4.0
321.99802	1.9
340.00912	16.0
356.00354	2.6
358.01999	7.1
502.05798	1.8
633.07013	3.7
710.60620	2.1
932.05109	2.1
972.06073	3.9
990.07074	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	1005.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	1.3
71.58013	0.9
88.98666	0.9
92.21352	0.7
93.03349	5.4
95.01279	1.6
95.04899	0.8
96.95857	0.8
101.21828	0.6
105.01834	1.0
105.03321	0.9
107.01301	0.8
107.30563	0.7
108.02075	0.9
108.10878	0.7
109.02835	1.3
114.29379	0.6
121.02860	8.5
121.06551	0.7
121.45433	0.8
122.03632	16.4
123.00755	2.3
123.04349	1.4
125.02341	3.1
133.02875	1.3
133.65463	0.6
134.03683	1.0
135.04449	1.0
136.01573	6.8
137.02347	6.1
138.03174	1.1
139.03909	1.1
145.02861	1.2
146.03658	1.5
147.04367	0.9
149.02347	32.6
149.05986	1.2
150.03136	100.0
151.00275	5.2
151.03923	8.6
152.01047	0.9
152.04729	0.7
153.01767	0.9
159.04434	0.7
161.02357	1.3
161.06082	1.0
162.03122	1.6
163.04012	1.3
164.04739	5.8
165.01854	5.2
165.05487	88.8
166.02647	13.4
166.05763	1.9
167.03461	1.5
169.01387	3.6
175.02467	0.8
175.03876	3.2
177.01851	1.5
177.05553	2.3
179.03433	2.2
179.07037	5.5
180.04221	7.6
181.04974	14.5
191.03430	1.0
193.05019	1.2
195.06566	65.7
196.06941	1.7
203.03424	0.8
205.04996	2.3
207.06462	0.9
210.05328	0.9
219.06554	2.0
220.07352	1.2
225.07565	1.0
246.98801	1.3
279.01401	0.8
298.08371	0.9
299.09012	0.8
299.99081	0.9
300.99872	3.2
313.10776	2.3
328.09598	1.2
329.10416	1.2
343.11850	15.9
357.13663	0.7
372.12198	1.0
373.12811	6.9
387.10626	2.2
387.14862	5.8
391.13675	3.2
402.13406	1.3
403.14084	3.3
417.15536	15.7
565.20746	15.0
566.21124	1.4
569.20221	1.6
595.21796	6.2
613.22919	8.1
614.23236	1.4
761.28400	3.9
762.29468	0.8
791.29108	0.9
809.30377	2.7
909.33813	1.3
939.34076	1.2
987.35065	0.9
1005.35742	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	1005.36
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	1.4
71.37600	1.7
82.62572	0.7
84.21397	1.0
85.02810	1.1
87.00713	1.3
97.11125	0.7
100.78360	0.9
107.01287	1.0
108.42577	0.8
113.02317	0.9
123.00781	1.3
125.02317	3.4
137.02325	1.4
145.02834	1.0
149.02309	1.5
150.03113	1.1
163.00244	1.2
165.01851	2.4
166.99678	0.8
169.01326	4.0
169.06990	0.8
173.02368	1.4
175.02425	0.8
177.01855	1.3
183.04398	1.3
193.01332	2.5
200.01053	1.3
201.01862	2.3
202.02446	1.3
203.03409	1.1
209.11685	2.4
211.03914	1.1
213.01830	0.9
214.02588	1.5
216.00502	1.5
217.01340	2.1
221.00822	3.0
227.03450	4.1
228.00636	1.2
228.04195	2.2
229.01302	1.6
230.02171	1.1
239.03426	1.2
240.04324	1.3
241.05157	1.3
242.02129	2.2
242.99167	1.1
243.02885	1.8
244.00096	1.8
245.00928	1.8
246.98877	1.3
255.02953	3.5
256.03726	2.3
257.00800	1.8
258.01682	1.3
266.02094	1.4
267.02927	2.6
269.00909	2.8
269.04413	0.9
270.98941	1.6
271.02454	2.0
271.99728	1.5
272.03174	1.5
273.00357	3.3
273.03314	0.9
274.01120	3.3
275.01886	3.1
281.00830	1.3
282.99210	1.2
283.02460	4.4
283.99881	1.8
284.03192	4.0
285.00360	2.3
285.03879	2.0
294.01682	1.1
295.02408	2.5
297.00381	1.3
298.01083	2.8
298.98413	1.4
299.01889	1.8
299.99161	25.7
300.02560	2.5
300.99847	13.1
302.00055	0.9
310.01071	1.3
311.01901	2.9
312.02817	11.4
313.03442	3.0
314.00772	1.0
314.97873	1.7
315.01367	2.0
321.00058	1.7
322.01508	1.3
324.99750	0.9
327.01407	2.9
328.02158	3.2
334.70493	0.9
338.00735	6.8
339.01410	4.7
349.59726	0.8
355.00818	1.3
356.01672	2.9
357.02344	1.2
425.93723	0.9
453.12439	1.2
465.11966	4.2
483.13065	4.1
509.10776	5.4
510.11639	1.3
527.11700	7.4
528.12640	1.3
567.14923	1.0
701.20532	1.0
719.21515	1.2
745.19672	2.4
763.21655	1.1
787.32562	1.1
929.34760	1.1
943.35175	1.7
961.36633	1.6
973.33466	11.0
974.33514	2.2
987.35004	11.1
988.35645	1.8
1005.36084	100.0
1006.36157	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	1005.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	1.3
71.58013	0.9
88.98666	0.9
92.21352	0.7
93.03349	5.4
95.01279	1.6
95.04899	0.8
96.95857	0.8
101.21828	0.6
105.01834	1.0
105.03321	0.9
107.01301	0.8
107.30563	0.7
108.02075	0.9
108.10878	0.7
109.02835	1.3
114.29379	0.6
121.02860	8.5
121.06551	0.7
121.45433	0.8
122.03632	16.4
123.00755	2.3
123.04349	1.4
125.02341	3.1
133.02875	1.3
133.65463	0.6
134.03683	1.0
135.04449	1.0
136.01573	6.8
137.02347	6.1
138.03174	1.1
139.03909	1.1
145.02861	1.2
146.03658	1.5
147.04367	0.9
149.02347	32.6
149.05986	1.2
150.03136	100.0
151.00275	5.2
151.03923	8.6
152.01047	0.9
152.04729	0.7
153.01767	0.9
159.04434	0.7
161.02357	1.3
161.06082	1.0
162.03122	1.6
163.04012	1.3
164.04739	5.8
165.01854	5.2
165.05487	88.8
166.02647	13.4
166.05763	1.9
167.03461	1.5
169.01387	3.6
175.02467	0.8
175.03876	3.2
177.01851	1.5
177.05553	2.3
179.03433	2.2
179.07037	5.5
180.04221	7.6
181.04974	14.5
191.03430	1.0
193.05019	1.2
195.06566	65.7
196.06941	1.7
203.03424	0.8
205.04996	2.3
207.06462	0.9
210.05328	0.9
219.06554	2.0
220.07352	1.2
225.07565	1.0
246.98801	1.3
279.01401	0.8
298.08371	0.9
299.09012	0.8
299.99081	0.9
300.99872	3.2
313.10776	2.3
328.09598	1.2
329.10416	1.2
343.11850	15.9
357.13663	0.7
372.12198	1.0
373.12811	6.9
387.10626	2.2
387.14862	5.8
391.13675	3.2
402.13406	1.3
403.14084	3.3
417.15536	15.7
565.20746	15.0
566.21124	1.4
569.20221	1.6
595.21796	6.2
613.22919	8.1
614.23236	1.4
761.28400	3.9
762.29468	0.8
791.29108	0.9
809.30377	2.7
909.33813	1.3
939.34076	1.2
987.35065	0.9
1005.35742	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	1004.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
70.33696	1.8
70.34036	6.0
75.02271	1.5
89.03884	1.1
95.01276	2.1
107.01344	1.2
117.03390	2.5
123.00803	2.7
125.02366	4.5
131.01251	1.5
132.02071	1.6
133.02875	3.9
137.02364	2.0
143.01321	1.8
145.02844	9.9
147.00816	2.1
147.04350	1.8
148.00320	2.4
149.02348	2.1
157.02859	2.1
159.00774	2.6
159.04398	2.7
160.01520	1.7
161.02393	11.1
163.00272	4.7
163.03960	4.6
165.01776	2.0
166.99686	1.8
169.01332	6.1
171.00832	3.2
172.01524	2.3
173.02376	8.1
175.03917	4.0
177.01860	6.3
178.99754	1.6
185.02354	4.3
187.00262	7.4
188.01062	3.8
189.01817	9.2
190.02789	7.2
190.99809	2.2
191.03439	5.4
193.45317	1.3
199.00343	2.4
200.00978	2.2
200.53630	1.3
201.01869	10.4
202.02496	1.5
203.03461	7.0
205.01376	2.3
208.02440	4.2
213.01898	3.7
214.99849	7.9
216.00623	4.7
217.01390	16.6
218.02043	2.3
219.02951	1.9
221.81972	1.4
222.01904	1.8
223.77409	1.5
226.99904	1.6
228.00589	2.6
229.01392	13.0
230.02031	1.8
230.99406	1.8
231.02924	5.6
233.00954	1.4
238.01407	1.9
242.99329	6.3
243.02864	2.3
243.99985	4.9
245.00914	21.2
246.01617	2.1
247.02451	9.8
249.04060	5.2
254.99315	2.0
257.00900	8.3
258.01660	1.6
258.98877	2.7
259.02521	2.7
259.99722	1.8
261.00436	3.3
268.02454	2.1
269.00894	3.1
270.03857	1.8
270.98816	19.1
271.99557	5.4
273.00385	26.3
274.01114	8.9
275.01950	14.6
277.03586	1.8
282.99005	1.5
283.99539	1.9
285.00546	4.5
286.98520	2.5
287.01840	2.7
288.99936	3.3
291.01505	4.6
294.00436	2.7
296.02084	3.3
298.98285	20.7
299.99109	56.2
300.99875	100.0
302.00391	7.2
303.01456	3.2
305.02884	2.8
309.99710	1.6
312.99997	4.1
314.03165	4.3
316.99393	6.2
322.00107	5.0
324.01505	5.3
331.00949	2.0
337.99371	2.7
340.00961	22.2
341.01385	1.7
349.01910	7.0
461.03577	1.7
493.06351	1.9
516.28900	1.7
818.32733	1.7
882.41107	1.6
905.06531	1.7
928.10028	1.7
932.05566	2.1
954.05811	1.9
964.07904	7.1
972.07788	7.5
973.07520	2.2
1004.10254	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	1005.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	6.8
71.57692	2.1
71.58055	2.0
73.02841	2.1
87.00733	2.2
89.02303	2.0
94.99930	1.6
95.01231	3.9
96.95888	3.3
97.65240	1.6
121.02819	2.2
123.00771	3.4
125.02403	8.6
129.71411	1.7
137.02344	5.6
141.39037	2.2
145.02876	3.3
147.00713	2.4
149.02322	2.4
150.03120	3.9
151.00308	1.9
161.02338	3.9
161.06110	2.0
163.00267	13.8
164.01041	2.7
165.01863	10.5
165.05476	5.7
166.02550	2.1
169.01323	9.2
172.01503	2.5
173.02373	4.1
175.00330	2.1
175.02385	2.1
177.01826	3.8
178.99829	3.9
181.05028	2.7
187.00337	4.2
188.01152	2.0
189.01891	2.8
189.50655	1.9
190.02530	2.4
191.05515	2.8
193.01311	6.6
195.06514	4.7
197.02370	2.3
199.03909	2.4
200.01180	1.8
201.01842	4.8
202.99786	3.8
203.03336	3.6
206.99329	10.7
207.10097	2.7
208.00026	7.3
209.00832	6.4
209.11742	7.6
211.03983	3.4
213.01859	2.9
214.02600	2.2
214.99858	3.8
215.03360	2.3
216.00607	4.4
217.01398	8.7
218.02148	2.0
221.00905	2.9
225.07578	2.9
226.02652	2.8
227.03456	3.3
228.04222	2.2
229.01434	4.4
230.02251	2.3
239.03406	2.5
240.04146	2.6
242.02119	4.9
242.99258	3.8
243.02971	2.8
244.00017	4.4
245.00812	5.0
246.01231	1.8
246.98792	20.0
249.04219	1.9
255.02917	7.4
256.03668	3.9
258.01694	2.6
259.02377	2.6
259.99561	6.1
261.00385	7.6
266.02399	2.3
267.03076	2.2
268.03812	2.2
269.00937	10.0
269.04306	4.1
270.98831	5.1
271.02383	2.5
271.99561	3.7
273.00439	9.1
274.01050	5.2
275.01840	2.3
283.02435	5.1
284.03247	7.1
285.00525	2.3
285.03943	2.3
287.01837	2.4
288.02551	2.8
295.02338	3.3
297.00681	2.2
298.98755	2.2
299.01984	3.4
299.99152	6.7
300.02454	2.2
300.99847	10.4
301.03207	2.6
303.01392	7.4
311.01889	4.4
312.02835	9.9
313.03436	5.6
319.00873	3.1
324.15610	2.1
327.01288	2.2
329.23349	2.3
330.23886	2.1
340.01944	2.4
347.00543	3.6
348.01382	3.6
417.15417	2.6
465.11914	2.6
483.13034	2.3
885.34839	3.0
889.35516	3.5
903.32684	13.9
904.33136	3.0
929.34198	9.9
933.37701	5.2
959.35492	3.0
961.37122	12.2
962.38129	2.7
973.33514	27.5
974.33569	6.9
987.34229	6.2
1005.36072	100.0
1006.35907	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	1003.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	0.2
71.56670	0.3
73.02819	2.6
89.02303	0.2
89.21037	0.2
92.48097	0.2
96.95883	0.4
99.00778	0.7
99.92463	14.1
100.92486	0.4
102.64718	0.2
104.60751	0.2
114.93275	1.0
116.92747	100.0
116.97096	1.5
117.01833	4.2
117.92759	3.3
139.85333	0.2
139.95473	0.2
164.41780	0.2
209.11832	0.6
317.46442	0.2
335.17599	0.5
346.52484	0.2
387.51151	0.2
397.13712	0.3
426.14883	0.2
488.18298	0.3
584.58630	0.2
601.10010	0.2
917.37836	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57604	0.2
73.02824	2.6
75.00765	0.2
78.71625	0.1
89.02290	0.1
89.51641	0.1
93.44402	0.1
99.00743	0.9
99.92462	15.1
100.92476	0.4
114.93324	0.9
116.92747	100.0
116.97054	0.7
117.01827	4.9
117.92765	3.5
170.01651	0.2
209.11809	0.5
224.34201	0.1
277.21835	0.2
285.08621	0.2
335.17633	0.4
397.13367	0.2
714.06854	0.2
997.47418	0.1
1002.84558	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
70.33696	1.8
70.34036	6.0
75.02271	1.5
89.03884	1.1
95.01276	2.1
107.01344	1.2
117.03390	2.5
123.00803	2.7
125.02366	4.5
131.01251	1.5
132.02071	1.6
133.02875	3.9
137.02364	2.0
143.01321	1.8
145.02844	9.9
147.00816	2.1
147.04350	1.8
148.00320	2.4
149.02348	2.1
157.02859	2.1
159.00774	2.6
159.04398	2.7
160.01520	1.7
161.02393	11.1
163.00272	4.7
163.03960	4.6
165.01776	2.0
166.99686	1.8
169.01332	6.1
171.00832	3.2
172.01524	2.3
173.02376	8.1
175.03917	4.0
177.01860	6.3
178.99754	1.6
185.02354	4.3
187.00262	7.4
188.01062	3.8
189.01817	9.2
190.02789	7.2
190.99809	2.2
191.03439	5.4
193.45317	1.3
199.00343	2.4
200.00978	2.2
200.53630	1.3
201.01869	10.4
202.02496	1.5
203.03461	7.0
205.01376	2.3
208.02440	4.2
213.01898	3.7
214.99849	7.9
216.00623	4.7
217.01390	16.6
218.02043	2.3
219.02951	1.9
221.81972	1.4
222.01904	1.8
223.77409	1.5
226.99904	1.6
228.00589	2.6
229.01392	13.0
230.02031	1.8
230.99406	1.8
231.02924	5.6
233.00954	1.4
238.01407	1.9
242.99329	6.3
243.02864	2.3
243.99985	4.9
245.00914	21.2
246.01617	2.1
247.02451	9.8
249.04060	5.2
254.99315	2.0
257.00900	8.3
258.01660	1.6
258.98877	2.7
259.02521	2.7
259.99722	1.8
261.00436	3.3
268.02454	2.1
269.00894	3.1
270.03857	1.8
270.98816	19.1
271.99557	5.4
273.00385	26.3
274.01114	8.9
275.01950	14.6
277.03586	1.8
282.99005	1.5
283.99539	1.9
285.00546	4.5
286.98520	2.5
287.01840	2.7
288.99936	3.3
291.01505	4.6
294.00436	2.7
296.02084	3.3
298.98285	20.7
299.99109	56.2
300.99875	100.0
302.00391	7.2
303.01456	3.2
305.02884	2.8
309.99710	1.6
312.99997	4.1
314.03165	4.3
316.99393	6.2
322.00107	5.0
324.01505	5.3
331.00949	2.0
337.99371	2.7
340.00961	22.2
341.01385	1.7
349.01910	7.0
461.03577	1.7
493.06351	1.9
516.28900	1.7
818.32733	1.7
882.41107	1.6
905.06531	1.7
928.10028	1.7
932.05566	2.1
954.05811	1.9
964.07904	7.1
972.07788	7.5
973.07520	2.2
1004.10254	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	1003.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01263	2.3
71.57061	1.2
86.88474	1.6
87.00757	1.8
95.22494	1.6
96.95894	2.2
101.02356	2.0
123.00814	2.7
125.02324	4.8
154.09227	1.5
156.13562	1.7
168.00377	2.0
169.01306	7.1
172.31342	1.8
176.01027	1.8
209.11784	2.9
229.01410	1.8
232.00171	1.6
237.91777	2.0
244.00177	2.1
269.00992	1.8
270.01205	1.8
270.98871	3.1
271.99655	3.0
273.00308	2.3
286.98279	3.3
298.01208	9.6
299.99155	21.1
300.99866	8.7
310.98312	2.2
315.98486	2.7
324.99860	20.5
326.00537	5.5
330.00500	1.7
352.99387	6.8
354.00150	60.7
355.00717	5.9
359.27789	1.7
381.06055	2.3
525.10217	11.0
743.18231	2.2
809.86072	2.0
826.23627	1.6
901.30823	2.8
932.80060	1.7
964.97766	1.9
971.31818	10.0
972.31415	2.0
1003.34381	100.0
1004.06378	1.8
1004.34497	14.6
1015.48340	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	1001.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	2.2
71.57610	2.0
75.35712	0.9
77.05060	0.9
83.04901	2.0
96.95895	0.9
97.27882	1.0
116.92747	2.8
125.02321	3.1
146.84843	1.0
161.02414	1.0
166.99696	1.1
169.01344	2.2
185.11757	1.4
197.11810	1.7
201.11201	2.1
209.11761	10.6
211.13338	4.2
214.99832	1.3
245.01059	1.0
268.00049	1.0
269.01105	1.0
270.98874	5.2
271.99438	1.5
282.01685	1.2
293.28448	1.0
297.00546	0.9
298.98288	3.0
299.99139	15.6
300.99792	4.7
307.19147	8.0
309.00345	4.4
314.97858	0.9
323.99115	3.2
325.00034	4.6
325.20187	6.9
326.00613	1.8
326.20538	1.2
326.97821	5.8
327.01181	1.4
335.02011	3.6
336.99609	1.7
338.00690	2.4
351.01370	1.9
351.98514	3.0
352.99301	7.5
354.00143	2.9
355.01028	1.4
366.00150	2.8
367.01254	1.2
371.68597	1.0
377.03204	1.1
379.01038	1.8
380.01880	3.7
381.02405	1.3
393.02457	3.0
467.10550	0.9
467.19104	1.0
493.07285	1.3
495.09064	4.9
505.07730	3.5
523.01648	1.8
523.08820	17.9
524.08948	2.6
563.12903	1.1
579.11377	2.7
741.16772	3.6
807.24725	2.0
969.30585	7.0
1001.32843	100.0
1002.33374	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	1001.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
69.90081	1.3
71.01259	1.3
79.01774	0.7
83.01290	0.5
85.02839	0.7
89.02331	0.4
95.01299	0.9
97.02840	0.5
101.02357	0.5
107.01269	3.0
107.01862	0.3
108.02085	0.6
109.02884	0.6
111.00757	1.3
113.02380	0.4
121.02846	0.5
123.00771	7.7
124.01559	0.7
125.02341	10.4
136.05215	0.5
136.98692	0.4
137.63754	0.3
139.00288	2.4
140.01016	1.8
141.01859	1.3
148.01634	0.4
151.00275	8.6
153.01897	0.3
153.09166	0.4
155.03558	0.3
163.00302	0.9
164.01047	0.3
168.00571	2.4
169.01332	13.2
170.01665	0.3
177.03894	0.6
178.99837	1.6
205.12323	0.7
211.02417	4.5
211.04037	0.3
226.02740	0.7
227.03471	1.0
243.03001	3.0
245.04497	0.6
254.02232	0.6
255.02966	9.0
256.03354	0.6
271.02496	15.0
271.04700	2.9
272.02835	1.3
297.06427	0.3
298.98306	0.4
299.01898	0.7
300.02737	27.5
301.03482	12.4
302.03900	0.7
313.05655	1.4
331.06708	0.6
388.62753	0.3
445.30844	0.3
463.08826	37.2
464.09052	2.3
537.19757	100.0
538.20068	7.7
642.82941	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	991.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	5.9
69.41920	16.1
69.42328	4.9
74.03159	1.9
81.03419	8.7
88.55676	2.6
109.02907	6.8
114.78699	2.4
127.03958	4.4
153.01845	11.6
165.01854	3.2
173.03027	2.3
185.02985	2.4
191.03467	2.9
193.01369	8.2
207.02809	2.3
215.03581	2.3
219.02917	3.5
221.00882	10.1
231.02892	8.2
245.05045	3.9
247.02547	3.8
257.00964	2.3
259.02438	11.3
275.01834	6.1
277.03400	27.3
277.06073	3.1
277.56842	2.1
278.03720	2.5
279.04077	2.7
303.01343	27.0
337.02069	2.6
394.99979	2.6
477.03241	4.4
720.62122	3.0
803.00671	6.4
821.02362	100.0
822.02325	6.8
903.99323	2.7
991.04785	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	1001.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05460	3.4
71.05803	2.0
73.95085	1.3
85.22356	1.4
86.06931	1.3
91.01772	1.6
105.03294	2.9
111.00719	2.9
117.03362	4.4
121.02846	2.4
123.00764	2.8
125.02318	4.3
127.00226	2.0
131.01295	2.2
133.02843	4.2
135.04396	1.7
137.02353	3.0
139.00278	3.6
145.02856	6.2
147.00801	3.9
147.04433	2.0
149.02303	1.8
161.02357	8.5
163.00276	4.5
163.03905	3.9
165.01836	2.1
169.01326	5.3
173.02333	5.7
175.00328	3.8
175.04027	1.6
177.01884	9.4
182.99323	3.5
185.02356	4.1
187.00325	4.3
189.01910	7.9
189.88290	1.5
190.02539	2.1
191.03369	4.9
193.01347	2.0
201.01869	6.4
202.99812	2.1
203.03453	3.5
205.01350	7.2
207.02843	2.7
213.01866	1.8
214.99834	5.8
216.00537	2.3
217.01349	10.1
218.99249	1.7
219.02875	2.2
219.50706	1.5
221.00760	3.4
229.01390	9.1
230.99307	4.3
231.99789	2.2
233.00871	7.9
235.02443	3.2
242.99364	4.6
245.00928	12.9
247.02458	5.1
248.02863	2.5
249.04068	3.2
257.00897	6.2
258.98746	4.6
259.99564	2.6
261.00378	13.2
262.00754	2.6
263.01974	5.9
270.98792	10.8
271.99423	3.1
273.00403	14.8
274.01047	4.6
275.01947	14.1
276.02078	2.0
276.99786	3.2
283.99683	4.4
286.98337	8.7
287.98959	1.6
288.99890	8.7
290.00443	2.3
291.01422	4.6
298.98419	13.3
299.99045	10.6
300.99890	100.0
302.00238	8.3
304.99133	2.4
307.00983	2.3
314.97964	3.9
315.98093	2.6
316.99326	27.7
317.99780	3.4
332.98737	1.5
463.04974	2.4
633.06946	2.5
702.89899	1.6
721.79126	2.0
723.19556	1.6
891.30151	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6043
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	9.8
69.07060	21.4
71.01358	2.1
71.04984	5.9
73.02918	2.9
79.05492	58.1
81.03409	9.7
81.07053	93.7
83.04967	7.5
83.08608	11.6
85.02917	11.3
85.06523	3.9
91.03962	4.5
91.05478	48.7
93.07037	78.8
95.04956	12.3
95.08600	56.8
97.02895	7.2
97.06520	11.9
97.10148	5.1
98.21461	4.2
99.04494	2.6
99.08086	3.7
105.07025	36.1
107.04948	7.4
107.08587	39.5
109.02887	2.3
109.06524	6.1
109.10166	18.2
111.04468	2.3
111.08083	5.7
112.40980	1.8
117.06991	15.8
119.08573	28.2
121.06488	4.0
121.10136	33.5
123.08077	3.1
123.11693	6.9
125.09629	2.5
125.22564	1.8
127.03867	4.6
129.06993	5.1
131.08565	21.3
133.10104	21.9
135.08066	3.0
135.11681	23.1
137.09628	3.5
143.08583	5.7
145.05013	2.7
145.10115	18.8
147.11656	13.0
149.09599	8.7
149.13249	17.6
155.08566	2.9
157.10176	5.2
159.11667	13.7
161.13266	6.4
163.06046	2.4
163.11136	5.2
163.14818	2.6
169.10095	2.4
171.11650	4.4
173.04367	1.9
173.13260	8.2
175.14728	2.4
177.12735	6.4
183.11745	2.3
185.13312	2.2
185.31650	1.6
187.14764	2.3
191.88957	2.1
195.13747	5.6
197.13255	2.1
229.45628	1.9
239.18040	2.0
255.15919	9.5
257.18997	6.0
261.22015	11.2
267.16019	2.9
269.17471	34.5
275.20062	19.9
276.20456	1.9
317.24796	3.0
331.22659	3.3
335.25781	92.5
336.26114	2.5
349.23694	18.6
355.97690	1.8
367.24710	3.3
413.21378	2.5
467.97672	1.9
515.37201	20.7
529.38843	100.0
530.39093	3.2
569.41803	4.4
609.45154	31.6
627.46381	9.9
784.83069	2.1
935.28961	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5887
Annotation	Unknow
Peak:m/z	Relative Intensity
68.41322	2.5
69.03431	6.6
69.07075	21.2
71.58595	3.5
71.58948	3.0
79.05492	32.8
81.07056	31.0
83.04971	5.2
83.08614	5.3
85.02886	5.7
91.05463	17.0
93.07040	31.7
95.04973	8.6
95.08603	20.5
97.02894	9.9
97.10157	13.0
105.07011	11.6
107.08569	23.5
109.10147	13.3
117.06983	5.6
119.08552	12.1
121.10123	12.0
123.76328	3.0
125.09630	4.3
125.67068	3.0
131.08582	8.1
133.10132	7.1
135.11646	5.0
145.10121	7.7
147.08047	5.3
147.11629	3.3
159.11664	4.6
161.13200	4.2
189.11278	2.7
223.13254	13.4
261.22125	8.2
273.18423	9.1
291.19522	84.4
312.62561	3.4
335.25793	70.4
365.23276	35.4
398.09875	3.7
433.10205	3.1
545.38190	4.8
625.44678	100.0
771.84656	3.4
778.38226	3.5
895.36365	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	984.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99760	0.5
69.03426	12.0
69.30463	1.1
69.30872	3.8
71.01351	0.6
71.04966	0.6
71.49536	0.4
81.03416	21.6
83.01336	1.1
85.02899	1.2
89.03912	0.6
91.05480	0.5
97.02883	2.9
99.04426	1.3
101.02393	0.4
103.05448	0.7
107.04955	0.7
109.02875	11.8
117.03364	1.0
118.20562	0.5
119.04933	0.5
125.02362	0.4
127.03923	3.6
129.03348	0.5
131.04936	1.0
133.02814	1.7
141.07077	0.4
145.02843	1.2
147.04396	1.8
151.03893	0.6
153.01802	1.4
157.02855	1.3
159.04361	0.7
161.02345	2.7
163.03931	3.6
165.01888	1.0
173.02357	2.5
175.03854	2.8
177.01773	0.5
177.05582	0.4
179.03352	1.5
181.01311	0.5
185.02341	1.4
187.03897	4.6
189.01814	5.3
190.02710	0.5
191.03375	6.4
193.01285	1.3
198.23618	0.5
201.01799	5.2
202.02702	0.4
202.79837	0.5
203.03381	4.6
207.02885	4.5
213.01840	3.3
215.03362	3.8
217.01320	12.4
218.02068	3.2
219.02870	7.6
221.00778	1.2
221.04410	1.3
229.01320	5.0
230.01906	0.8
231.02873	19.8
232.03146	0.7
233.04323	0.9
235.02379	10.8
236.02780	0.5
241.01260	3.6
245.00812	8.1
246.01585	0.7
247.02383	9.1
248.03154	0.5
249.03954	3.2
255.03021	0.6
256.98300	0.6
257.00842	9.2
258.01401	0.8
259.02377	34.7
260.02863	1.4
261.03983	1.2
262.00912	0.6
263.01910	4.3
273.00311	10.4
274.00793	1.0
275.01862	14.5
276.02640	5.7
277.03424	100.0
278.03836	2.4
285.00238	6.3
287.01947	1.7
289.03323	1.5
291.01331	4.6
294.75986	0.5
300.99826	3.4
302.00375	0.7
303.01337	89.8
304.01740	2.2
305.02832	4.2
319.00818	5.5
321.02365	4.6
323.03888	1.5
328.99213	0.7
331.00650	1.9
333.02344	5.2
346.54364	0.5
349.01724	1.0
351.03445	22.8
352.03925	0.5
355.04483	0.8
411.03635	0.8
417.04391	0.7
421.03943	0.8
429.04483	3.3
435.05762	0.5
445.04059	1.0
447.05585	1.3
463.05139	0.7
477.06689	5.6
495.07462	1.5
765.05560	0.8
797.08258	39.2
798.07916	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5438
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06197	1.4
70.79029	2.6
70.79358	1.6
122.28317	1.4
493.18088	1.3
697.32086	1.7
808.11920	1.7
839.37543	1.3
975.54370	100.0
976.54266	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	984.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
68.97552	0.7
69.03424	13.7
71.04928	0.7
71.57790	0.8
77.10191	0.7
81.03409	24.9
81.06159	0.6
83.01314	0.8
85.02904	3.6
91.05418	0.8
95.04935	0.7
97.02842	2.7
99.04409	0.8
101.02363	0.7
103.05460	0.7
107.04890	0.8
109.02870	14.3
119.04897	1.3
127.03934	3.6
133.02846	1.6
145.02843	0.8
147.04356	2.4
153.01762	2.2
157.02870	0.9
159.04349	0.7
161.02348	2.0
163.02617	0.9
163.03841	4.8
170.31924	0.7
173.02304	1.8
175.03842	2.9
179.03352	1.6
185.02263	1.1
187.03879	4.3
189.01790	4.1
190.02615	0.8
191.03392	5.1
193.01321	1.0
201.01819	5.9
202.02617	0.9
203.03386	4.6
207.02850	4.4
213.01793	4.6
215.03395	4.2
217.01268	6.8
218.02097	6.8
219.02852	8.0
221.00847	1.3
229.01349	4.5
230.01985	1.1
231.00717	1.3
231.02881	21.7
233.04437	1.6
235.02342	14.6
239.01802	1.9
241.01183	3.6
243.02803	0.9
245.00763	5.8
247.02393	11.0
249.04065	1.6
257.00818	9.2
259.02365	36.4
261.03891	2.6
262.01019	1.4
263.01849	3.2
273.00308	8.6
274.01068	5.5
275.01859	15.4
276.02643	8.0
277.03412	97.6
278.03857	1.6
285.00232	7.3
287.01871	2.5
288.02585	1.2
289.03391	7.5
291.01331	2.8
300.99820	1.7
302.00754	0.7
303.01337	100.0
304.01715	1.9
305.02750	3.5
315.01517	0.8
319.00717	4.4
321.02347	5.1
331.00723	1.0
333.02365	9.1
351.03461	29.3
353.02420	0.8
355.04654	1.0
358.34256	0.8
367.04892	0.7
398.29224	0.7
411.03427	0.9
421.04108	1.2
429.04520	4.6
445.04282	1.6
463.04929	1.1
466.45166	0.7
477.06622	10.1
495.07584	1.1
779.06897	0.9
797.08258	54.4
798.08417	2.0
899.00494	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99796	0.7
69.03426	11.3
70.51334	0.7
71.01369	0.9
71.03658	2.1
71.04973	0.7
81.03417	33.1
82.03769	0.7
85.02893	4.2
91.05486	2.0
97.02885	3.3
99.00878	0.9
99.04436	2.4
103.05471	2.5
109.02882	16.0
119.04918	2.0
126.05523	0.8
127.03919	8.2
129.03391	0.8
129.47362	0.7
131.04906	4.1
137.02324	1.0
143.03386	1.0
145.02806	0.9
145.04907	0.9
147.04407	10.7
153.01814	5.6
154.75398	0.9
157.02858	1.9
159.04396	4.6
163.03917	3.5
165.01807	3.6
165.05426	1.1
173.02299	2.3
175.03889	13.2
175.05309	1.1
177.01915	1.4
177.05476	2.7
179.03389	1.4
185.02296	0.8
187.03851	4.7
191.03387	8.1
193.01349	8.3
193.04941	2.9
201.01804	3.7
203.03398	26.0
204.03781	1.1
205.01353	1.4
205.04962	2.0
207.02878	2.2
213.01839	4.7
215.03336	3.8
217.01306	1.7
219.02884	12.3
221.00836	18.5
221.04396	10.9
229.01302	5.3
231.02882	33.2
233.00768	2.1
241.01273	4.5
247.02367	18.8
249.01903	0.9
249.04010	8.3
257.00818	8.7
258.01538	1.0
259.02374	36.3
260.02893	1.1
265.03479	1.5
275.01883	19.1
276.02692	5.8
277.03430	100.0
278.03778	2.9
285.00223	7.4
293.00064	0.8
293.02954	3.6
303.01343	88.0
303.80560	0.9
304.01593	3.9
305.02130	1.0
321.02438	16.3
337.01852	0.9
339.03470	30.4
392.97055	1.0
429.04486	1.8
447.05536	3.6
465.06897	4.0
483.07602	3.7
570.08429	0.9
767.06744	1.3
784.06903	1.2
785.08221	65.2
786.08307	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.13
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99780	0.5
69.03431	10.1
71.01329	0.4
71.04993	0.9
71.57001	0.7
79.05489	0.5
81.03416	22.6
82.03738	0.5
83.01320	0.6
85.02895	1.5
88.91467	0.3
89.03927	0.4
91.05463	0.6
92.80698	0.3
95.04946	0.5
95.58507	0.3
97.02884	2.7
98.29938	0.3
99.04459	1.6
103.05459	0.6
109.02877	13.2
110.03187	0.4
111.04405	0.5
112.40460	0.3
117.03396	0.6
119.04974	0.9
121.02885	0.4
125.02354	0.6
127.03915	4.6
129.03395	0.7
131.04948	0.6
133.02861	0.5
135.04396	0.4
137.02309	0.7
143.03340	0.6
144.76250	0.3
145.02922	0.6
146.40858	0.3
147.04367	3.3
151.03929	0.6
153.01840	3.7
157.02902	0.9
159.04398	0.5
161.02367	0.5
163.03917	4.2
164.04297	0.4
165.01811	1.4
173.02391	2.1
175.03938	4.2
177.01842	1.4
179.03329	1.0
185.02409	1.1
187.03937	3.9
189.01820	0.6
191.03401	9.4
191.59056	0.4
192.03934	0.5
193.01334	2.6
193.04933	1.1
201.01834	4.2
202.02519	0.6
203.03369	9.3
203.05185	0.6
205.01335	1.6
205.04906	0.7
207.02892	1.6
213.01884	2.4
215.03398	3.5
217.01350	2.0
218.01857	0.5
219.02908	11.4
221.00813	17.3
221.04428	1.5
223.02373	0.9
229.01311	3.1
230.01881	0.7
231.02873	20.7
232.03241	1.1
233.00844	3.8
235.02434	2.0
237.04083	0.4
239.01891	3.8
241.01299	2.7
242.01582	0.5
246.01266	0.6
247.02388	13.8
248.02718	0.7
249.04024	2.1
257.00821	6.7
258.01370	0.8
259.02380	32.9
260.02817	1.7
261.03378	0.4
263.01920	0.9
265.03461	0.7
273.00302	1.0
274.00665	0.6
275.01855	20.5
276.02612	7.2
277.03424	100.0
278.03757	5.7
279.04019	2.4
285.00278	4.5
286.00735	0.7
289.03311	0.6
293.02905	1.5
302.00436	0.6
303.01340	66.9
304.01630	5.8
305.02304	2.6
315.01453	0.5
320.04218	0.4
321.02405	9.1
329.02713	0.5
331.00748	1.1
333.02444	0.4
337.01917	3.4
338.02350	1.0
339.03430	16.6
342.35471	0.4
349.01993	1.1
356.58286	0.4
367.04324	0.4
385.05374	0.8
394.99551	0.8
411.03445	1.1
419.06073	1.3
429.04565	3.3
447.05499	2.7
463.04938	0.7
465.06534	4.3
483.07803	1.0
502.20099	0.4
527.03522	0.4
767.06921	0.7
783.06055	1.3
784.06689	2.1
785.08136	46.2
786.08295	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.115
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99780	0.7
69.03426	20.4
69.91207	3.3
71.01336	0.8
71.04981	0.9
73.94231	0.5
79.01836	0.9
79.05486	1.1
81.03415	33.1
82.46701	0.5
83.01317	1.3
85.02889	1.5
89.03915	0.9
90.60956	0.5
91.05470	0.7
94.15187	0.5
97.02874	3.4
99.04446	1.6
101.02367	0.7
105.03385	0.9
107.04921	0.9
109.02872	15.6
117.03398	1.0
117.93539	0.6
119.04926	0.7
123.00874	0.6
125.02380	0.6
127.03910	7.1
129.04489	0.6
129.47478	0.7
133.02827	2.4
135.04387	1.2
135.49435	0.6
137.02307	0.7
145.02818	1.5
147.04445	2.8
153.01837	6.2
153.75980	0.5
157.02798	0.6
159.04417	1.0
161.02341	2.6
163.03909	7.5
165.01799	1.5
173.02345	2.9
175.03918	3.7
177.01884	1.3
179.03383	2.4
185.02327	1.6
187.03876	5.6
189.01825	5.8
190.02579	0.6
191.03407	9.3
193.01335	1.7
193.04904	0.6
195.02898	0.5
201.01820	7.5
202.02608	1.0
203.03409	5.9
205.01277	0.6
207.02933	6.5
213.01781	4.2
215.03372	5.9
217.01308	10.3
218.02066	1.6
219.02876	13.2
221.00833	1.6
221.04283	0.6
228.00629	0.5
229.01305	5.5
230.02023	1.0
231.02864	23.7
235.02376	15.7
239.01788	1.0
241.01407	3.2
244.98500	0.9
245.00812	9.8
247.02376	16.4
248.02859	0.7
257.00790	11.6
259.02371	35.8
260.02762	1.6
263.01852	6.1
273.00299	10.5
274.01102	0.6
274.98761	0.8
275.01828	21.2
276.02634	8.6
277.03421	100.0
278.03760	1.9
285.00284	7.6
287.01852	0.8
291.01401	3.6
300.99847	3.3
302.00357	1.3
303.01340	95.0
304.01733	2.2
305.02756	1.7
319.00839	5.1
321.02310	3.6
337.01904	27.1
371.03912	0.7
407.02512	1.2
411.03580	0.9
429.04559	2.8
445.03989	1.4
447.05408	0.9
463.05042	11.0
481.06049	1.9
507.04013	0.6
604.11255	0.6
705.59033	0.6
765.04803	0.7
783.06732	63.2
784.07361	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	969.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	2.7
69.88554	8.8
81.03431	1.8
85.02864	2.4
91.05463	2.5
93.07022	3.4
94.06554	7.0
95.04910	2.1
95.07355	2.6
96.08139	6.4
106.06537	1.4
108.08097	8.1
110.09675	14.2
120.08106	8.4
122.06050	7.9
122.09645	2.0
136.07571	7.8
138.09119	20.0
148.07576	4.2
150.09117	4.8
152.07062	3.8
153.01750	1.4
160.03908	7.1
164.07051	2.3
165.11047	1.3
166.08635	28.6
177.05333	1.3
199.08630	1.7
203.87747	1.6
204.06456	2.0
211.12338	1.9
213.10327	2.3
219.24969	1.5
221.10722	1.9
223.08644	4.1
225.10144	11.1
225.13828	1.5
226.10974	5.1
227.11745	3.1
236.12988	2.2
237.10139	5.1
237.13885	3.2
238.10938	6.2
239.08098	6.0
239.11827	15.0
240.12614	4.3
249.10301	4.7
250.10938	7.0
251.08124	4.6
251.11835	16.0
252.12288	2.9
253.09743	5.9
253.13330	12.8
254.10461	12.5
255.11366	1.3
255.14871	1.6
263.11829	14.4
264.12564	7.2
265.09738	5.2
265.13309	22.2
266.10403	3.5
266.14063	2.8
267.11264	7.9
267.14743	2.9
271.10794	2.4
277.09613	2.3
278.10455	2.5
279.11331	7.8
280.11914	1.6
281.12817	14.4
282.13501	2.7
283.10760	7.5
283.14276	3.9
284.11676	2.2
285.12283	10.8
286.13007	2.0
291.11209	4.7
292.11923	1.7
293.09592	2.0
293.12762	9.5
293.15683	2.0
294.13553	5.6
295.10687	3.8
295.14105	3.0
296.11484	3.6
297.12277	7.1
298.13123	2.2
299.13870	16.3
303.01709	2.1
307.10831	1.7
309.08737	3.3
309.12302	70.0
310.12820	4.9
311.13882	26.3
313.11874	2.4
319.10803	3.5
321.12271	4.3
325.11673	4.0
326.12839	2.2
327.13361	77.7
328.13745	4.3
337.11844	15.0
338.12503	4.8
339.13354	11.8
341.14993	4.8
356.13483	1.6
357.14435	6.1
358.15131	1.6
359.16068	5.1
369.14432	29.7
370.15112	2.2
371.15970	31.2
372.16608	1.8
402.18048	1.5
404.19995	3.7
416.19638	4.9
430.17572	2.2
432.19095	10.3
442.17126	1.9
448.18396	18.0
460.18649	35.8
461.18948	2.3
474.20135	3.9
480.21329	44.1
481.21503	2.3
490.19495	2.3
492.21262	100.0
493.21408	4.7
523.22876	3.8
524.23755	4.4
594.24353	3.1
595.25311	5.7
606.23431	2.3
613.26483	45.9
614.26324	3.5
622.23846	1.9
624.25470	2.7
627.28003	5.1
636.25153	3.6
645.28790	15.8
654.26147	4.5
685.27869	2.4
721.28979	1.8
725.31097	2.8
753.30334	2.1
757.30200	2.6
921.58521	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	2.6
70.11404	5.5
79.05505	2.7
80.05037	1.6
81.03421	4.5
83.08573	1.8
85.02898	6.1
91.05464	3.0
93.07040	3.0
94.06551	4.8
95.04974	1.6
96.08115	7.5
97.02885	3.3
106.06549	1.5
108.08115	9.9
110.09656	9.8
111.78729	1.5
118.06538	1.9
120.04470	2.1
120.08115	9.6
122.06038	8.5
122.09648	2.1
124.07571	4.8
127.03902	2.2
134.05994	4.0
136.07576	23.2
138.09142	18.4
140.81807	1.4
144.04492	2.0
146.05989	7.6
148.07553	15.1
150.09152	10.3
152.07066	20.6
153.01779	1.4
162.05527	2.3
164.07066	4.4
166.08635	36.1
168.63731	1.6
172.03929	23.3
174.05539	2.7
176.07097	1.9
190.05014	16.3
191.07434	1.3
198.09280	1.7
198.11586	2.4
204.06558	27.4
210.11540	2.5
211.12305	6.1
212.13255	1.5
214.11122	1.4
220.09625	1.5
221.10799	1.7
223.12308	3.5
225.10193	5.7
226.11020	3.3
227.11697	4.2
229.13472	1.9
235.08607	1.7
235.12291	1.5
237.10237	5.1
238.11028	5.8
239.11809	9.7
243.11243	2.5
246.07426	1.5
249.10281	6.1
250.10951	4.6
251.11787	15.0
252.12521	4.6
253.09787	4.0
253.13339	5.4
255.11432	4.0
259.14380	1.6
263.11777	14.8
264.08890	3.1
264.12589	4.2
265.09814	7.1
265.13187	8.1
266.10504	4.3
267.11310	17.0
268.11823	1.7
269.12848	3.8
271.10855	1.4
271.14420	4.2
273.12350	3.4
275.11691	1.9
277.09775	4.4
277.13321	1.8
278.10532	4.9
279.08405	2.2
279.11316	26.5
280.11877	4.7
281.12772	11.2
282.13736	1.9
283.10791	3.4
283.14383	1.7
284.11456	10.3
285.12329	34.7
287.05606	1.8
287.14139	2.2
289.15631	2.0
291.11325	11.7
292.11954	4.5
293.09445	2.4
293.12827	14.1
295.10721	4.8
295.14197	3.3
296.11600	4.1
297.12329	41.1
297.15692	2.1
298.12961	4.1
299.10785	1.6
299.13727	8.2
303.01474	2.5
303.13541	1.7
307.10867	3.6
309.12289	15.0
310.13000	3.6
311.10287	4.1
311.13858	5.8
313.11713	2.8
319.10800	10.2
321.12427	10.7
323.10403	9.3
324.10837	2.3
325.11758	22.5
326.12494	1.5
327.13425	12.0
337.11832	57.7
338.12335	2.4
339.13507	4.7
341.15210	2.1
343.12845	4.3
355.12717	2.6
357.14395	12.0
369.14371	4.4
371.15909	2.8
390.17899	2.1
400.16516	2.4
402.17831	1.9
404.19757	3.5
422.20602	3.2
430.17529	6.1
431.18356	2.7
432.19070	7.5
442.17621	2.4
446.20773	2.8
448.18570	17.0
449.19269	10.7
450.20190	9.4
460.18646	13.3
461.19125	2.7
462.20190	5.3
472.18286	2.1
474.20374	3.1
476.18127	4.9
477.19086	4.5
478.19571	3.5
480.21243	2.9
487.17032	5.1
490.19781	28.6
491.20404	1.9
492.21094	8.5
522.22577	12.8
594.24390	1.8
595.25427	6.5
611.24677	2.5
612.25110	3.3
613.26575	100.0
614.26392	6.8
636.25012	1.7
645.29218	20.5
647.02478	1.7
652.24908	24.7
653.25549	4.9
654.26550	2.6
684.27502	9.3
685.27686	3.1
739.28241	1.7
775.31775	39.6
776.32416	2.5
807.34686	7.9
814.30383	8.4
846.31628	1.8
937.36005	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.542
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05171	4.0
67.05505	49.7
69.03423	7.0
69.07066	15.4
71.05005	3.5
79.05489	47.3
81.03415	67.1
81.07052	56.9
82.58292	2.1
83.04975	10.3
83.08617	22.1
85.02900	7.2
85.06576	3.4
88.66371	2.6
91.04964	4.6
91.05477	41.2
93.07039	48.7
93.88221	2.6
95.04962	29.0
95.08602	22.3
97.02879	6.3
97.06544	8.6
97.10174	8.6
97.16611	2.1
98.20689	3.8
105.07023	28.1
107.04945	11.1
107.08595	27.6
109.02836	2.6
109.06512	3.4
109.10138	11.3
111.04426	3.7
111.08076	8.8
114.50197	2.2
115.05519	3.2
117.07029	12.2
119.08578	24.8
121.06538	8.1
121.10152	16.5
123.11707	2.5
125.09598	5.7
129.06989	10.7
131.08551	17.9
133.10114	18.5
135.08035	2.9
135.11690	13.1
137.09612	5.4
143.03073	2.3
143.08598	6.3
145.06487	5.2
145.10129	14.0
147.08047	6.8
147.11696	10.2
149.09636	11.5
149.13269	5.8
151.11177	5.1
155.08527	2.9
157.10143	10.9
159.07863	2.8
159.11722	9.0
161.13243	2.6
163.11139	8.4
167.08562	2.7
169.10217	3.9
175.11179	8.0
177.12785	4.5
181.10036	2.8
185.13300	3.8
189.11218	3.4
193.12183	13.0
195.11613	3.9
214.16449	2.2
219.11757	2.8
227.12785	6.7
229.14371	3.2
241.19434	3.0
255.15912	8.6
267.15921	52.3
269.17459	27.5
275.20032	8.1
283.15445	3.8
291.19403	4.9
349.23843	11.6
351.23294	3.6
367.24960	2.7
369.24106	4.0
421.25516	3.6
430.26984	2.6
443.27991	11.0
447.27615	14.4
449.30667	3.2
461.29010	100.0
462.28967	3.9
493.31485	8.2
541.35358	25.0
542.35736	2.9
559.36340	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	968.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	100.0
67.58376	1.9
69.03438	13.0
69.06726	4.0
69.07070	46.5
70.06561	2.9
71.01340	2.8
71.04990	6.0
73.02906	9.6
77.60886	2.4
79.05490	66.3
81.03419	33.7
81.07059	74.7
82.04195	5.9
83.04982	22.5
83.08621	24.7
85.02901	27.7
85.06526	5.1
87.04472	3.0
91.03958	10.0
91.05480	68.3
93.07044	62.2
94.04186	2.3
95.04974	31.7
95.08602	41.4
96.05762	2.8
97.02888	20.2
97.06532	21.3
97.10172	20.3
98.07314	8.4
99.08115	3.6
101.02446	2.3
105.07039	44.7
107.04949	16.4
107.08582	34.9
109.02873	3.9
109.06525	10.4
109.10159	45.5
111.04454	5.5
111.08073	10.7
115.05454	6.3
116.04710	11.7
117.06995	15.7
119.08580	34.9
121.06538	6.5
121.10125	16.6
123.08080	10.1
123.11774	2.6
125.09626	24.3
127.03926	4.4
128.06210	2.4
129.05476	30.8
129.06998	9.8
130.07779	2.1
131.08595	21.2
133.06494	3.3
133.10143	30.5
135.08112	11.3
135.11693	13.9
137.09645	13.5
142.99014	2.1
143.07027	8.1
143.08595	2.7
145.04973	3.0
145.06532	2.7
145.10120	16.8
147.08055	6.0
147.11694	17.0
149.09622	22.4
149.13228	6.4
151.11160	6.0
153.09085	3.7
154.53864	2.0
155.08514	4.1
155.10699	2.3
157.08611	16.2
157.10115	13.2
159.11673	15.3
161.09602	3.6
161.13295	4.7
163.11157	18.4
165.12778	3.4
171.10149	5.9
173.11734	13.6
173.13171	5.3
175.11188	7.2
179.14235	4.3
181.12239	4.1
183.11595	3.3
187.14780	2.3
189.11166	6.3
193.12256	12.2
199.13272	10.3
200.14044	3.6
205.12312	2.3
209.11783	5.9
211.13327	9.5
223.13197	3.1
227.12790	14.0
229.14291	13.1
243.15897	4.1
253.14452	3.3
255.15955	6.9
257.18970	2.6
267.15897	9.6
269.17316	5.7
273.18613	4.8
275.20120	26.2
283.15408	7.4
285.16965	5.1
291.19458	10.5
301.16464	54.4
307.18909	2.5
349.23679	21.1
365.23151	3.0
397.21973	4.4
423.27582	4.5
439.26901	3.4
455.26633	10.7
479.30121	5.4
481.28113	2.7
541.35443	3.4
575.35663	25.3
577.38019	2.4
593.36444	4.6
609.36572	3.6
689.17151	2.8
770.58429	2.5
783.80701	3.0
968.42615	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	967.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	1.3
70.67885	1.3
73.02908	0.4
79.05469	1.0
80.05020	0.6
81.03414	0.9
81.07068	0.5
85.02909	2.1
91.05479	1.2
91.23469	0.4
92.04999	0.5
93.05759	0.7
93.07036	1.6
94.06557	4.4
94.24378	0.3
95.04991	0.4
95.07323	0.9
96.08124	3.9
97.02884	1.2
97.06511	0.4
98.20757	0.3
103.05449	0.7
104.65732	0.3
106.06548	0.9
107.04948	0.5
107.07353	0.8
108.04454	2.1
108.08102	7.3
110.06021	0.6
110.09676	6.3
116.04996	1.2
118.06506	0.4
120.04443	2.9
120.08093	6.0
122.06007	4.3
122.09695	0.6
124.07578	3.9
127.03923	0.6
130.06555	0.5
132.04500	0.4
134.06029	2.6
136.07567	9.3
136.08556	0.7
137.08000	0.3
138.09123	8.8
144.04448	2.9
144.08087	0.4
146.06013	5.5
148.07564	3.6
150.09145	1.1
152.07071	1.2
153.01846	0.7
160.03912	2.8
160.07643	0.5
161.07152	0.6
162.05490	2.6
164.07059	1.3
166.08635	13.5
167.07126	0.6
170.08395	0.4
172.03915	19.1
172.07527	0.7
173.10709	0.4
174.05508	2.1
176.07053	2.5
178.05003	0.6
181.08830	0.4
182.09729	0.7
183.09180	0.7
185.10623	0.4
186.05441	0.4
186.09076	0.6
190.04970	14.1
192.06564	0.6
195.09041	0.3
196.09949	0.4
197.10674	1.8
199.08723	0.8
199.12366	1.7
204.06534	31.7
205.07132	0.4
208.09898	0.5
209.10823	1.1
210.09196	1.2
210.11516	0.7
211.08669	2.1
211.12314	0.8
212.09259	1.7
213.10248	1.3
213.13841	0.4
213.26645	0.3
215.11908	0.5
223.08730	0.7
223.12317	1.0
224.09436	1.5
225.10194	7.4
226.11011	1.1
227.08412	0.5
227.11772	12.0
228.12206	0.5
229.13351	0.5
234.09192	0.4
235.08679	0.9
236.09442	1.2
237.10207	3.1
238.10989	1.4
239.11783	3.6
241.09772	1.7
241.13373	1.2
243.11380	0.5
245.12917	1.0
249.10283	1.5
250.10890	0.7
251.08139	0.9
251.11743	3.1
252.09038	0.6
253.09695	6.4
253.12444	0.5
253.13461	0.7
254.10416	0.5
255.11180	1.7
256.12027	0.3
261.10269	0.5
262.10925	0.4
263.08270	1.2
264.08902	2.7
265.09756	1.8
266.10583	0.9
266.25064	0.4
267.08521	0.4
267.11206	2.8
269.09775	0.4
269.12836	14.1
271.10727	7.9
271.13751	0.4
273.12283	3.5
277.09662	2.0
278.10596	0.5
279.11288	4.9
280.11902	0.5
281.09134	0.5
281.12817	1.6
283.10696	6.5
284.11539	4.6
285.12329	4.5
286.13123	0.9
287.13873	14.2
291.11282	0.6
293.09183	0.7
294.09998	0.7
295.10730	1.5
297.12299	9.1
298.10651	0.6
298.13699	0.5
299.13968	4.3
300.11484	0.7
300.14771	0.6
302.12970	1.2
307.10663	2.0
309.12210	0.4
311.10507	0.7
311.14096	1.1
312.14914	1.1
313.12598	1.3
314.13004	1.5
315.13657	1.4
316.10803	1.4
316.14499	1.5
317.15338	0.6
319.10919	0.5
321.08804	0.6
321.12021	0.7
322.13062	0.4
323.10217	6.4
323.13931	0.7
324.11234	0.5
324.14716	0.5
325.11807	16.0
326.12613	0.9
326.16589	1.4
327.13507	3.4
327.17389	0.9
328.10938	2.1
328.14343	2.2
329.11758	0.8
329.15079	1.6
330.12259	1.2
330.16037	2.5
331.16800	2.5
338.12619	0.6
339.13647	1.5
340.14490	1.2
341.11966	1.3
341.15875	0.4
342.12296	5.9
342.16110	1.0
343.12921	7.6
344.13925	1.3
344.17661	0.8
346.15256	0.5
352.14285	0.7
354.12442	1.1
354.16455	0.9
355.13522	1.4
356.13855	5.5
357.14456	19.1
358.15436	5.2
359.16043	0.8
365.11380	0.9
366.16171	0.8
367.13129	1.2
368.13956	0.9
368.17941	0.5
370.11725	1.0
370.15564	5.2
371.16611	1.8
372.12949	0.5
372.16983	1.3
374.18927	0.7
378.18256	1.4
380.13855	0.7
382.11719	3.6
383.12610	2.7
384.13162	4.4
384.17322	0.8
385.13959	2.2
386.14359	2.8
386.19345	2.2
387.15671	0.6
388.16660	0.9
390.18048	4.0
394.15518	0.8
396.17148	1.3
397.14758	0.7
398.10663	0.3
398.14972	17.5
399.15747	26.0
400.16415	2.9
402.18176	1.2
404.15967	5.9
412.16632	2.1
414.18192	4.4
415.14786	0.4
416.15985	17.4
417.16486	1.3
422.17270	2.7
428.16089	3.8
430.17566	3.6
431.18317	1.1
440.16003	8.7
441.16534	0.4
445.15793	0.6
446.17072	8.0
448.17969	0.5
458.17062	26.0
459.17499	1.3
460.18658	0.7
469.16272	0.5
478.19604	1.8
487.17117	8.3
490.19669	8.9
491.20416	0.7
519.19733	1.6
523.23358	0.8
525.25092	0.5
533.21936	0.6
539.26685	1.0
541.24451	1.3
547.23206	0.6
551.22498	0.7
565.24640	1.1
567.25763	1.2
569.23956	4.5
575.22632	0.5
583.25391	1.4
593.23785	3.6
602.21393	1.1
608.22736	0.8
610.23877	1.0
611.24933	100.0
612.25299	4.1
620.22131	3.3
625.26355	1.1
643.27557	26.8
644.27985	1.0
652.24634	0.5
719.26337	0.5
727.29675	0.5
729.30988	1.1
737.28088	1.7
745.30518	1.5
755.28827	3.7
773.30133	42.9
774.30438	2.3
787.32111	0.8
805.32776	6.3
917.35254	0.6
935.34985	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	1.9
70.07304	0.4
71.57941	0.6
75.67093	0.5
77.75829	0.4
79.05473	1.2
81.03417	1.4
82.06566	0.6
85.02904	2.5
91.05479	1.0
93.07043	2.0
94.06571	3.9
95.05001	0.6
95.07346	1.0
96.08123	4.1
97.02876	1.6
97.85445	0.4
99.83544	0.4
101.25864	0.5
103.05485	0.7
106.06541	1.3
108.04451	1.6
108.08111	7.8
109.02862	0.9
110.09688	6.0
116.05004	1.4
118.06547	1.0
120.04458	3.6
120.08104	4.7
122.06020	4.7
122.09686	0.5
124.07587	4.5
134.06013	2.3
136.07576	6.7
137.06006	0.6
138.09132	8.5
144.04437	2.6
144.08084	0.5
146.06007	4.9
148.07591	2.6
150.09148	1.4
152.07056	1.5
153.01822	2.0
159.09138	0.5
160.03946	3.3
160.07587	0.5
162.05487	3.0
163.07536	0.5
164.07106	1.1
166.08636	12.8
167.07069	0.9
172.03926	16.5
172.07626	0.8
172.68579	0.4
173.04335	0.6
174.05510	2.1
174.09154	0.5
176.07030	2.9
182.09663	0.7
186.09097	0.5
190.04977	14.2
191.05408	0.4
196.73450	0.5
197.10762	1.1
197.53204	0.4
198.11534	0.8
199.08656	1.1
199.12288	0.9
204.06541	32.9
205.06912	1.1
208.09793	0.5
209.10814	0.9
210.09334	0.7
210.11510	0.5
211.08684	2.4
211.12276	0.7
212.09442	1.8
213.10330	0.5
219.02629	0.6
223.08682	0.8
223.12346	0.9
224.09456	1.3
225.10219	6.8
226.10992	1.2
227.11766	12.0
232.06123	0.5
235.08743	0.7
236.09523	1.2
237.10262	2.5
238.11020	1.8
239.11790	3.5
240.12807	0.5
241.09637	1.3
241.13292	0.7
243.11224	0.6
245.12952	0.6
249.10287	1.7
250.10941	0.5
251.08167	0.5
251.11757	3.0
252.09045	0.5
253.09761	4.5
253.13489	0.6
255.11317	1.6
257.12854	0.6
261.10428	0.6
263.08279	1.0
263.11856	1.4
264.08939	2.5
265.09692	1.6
266.10413	0.9
267.11255	1.9
269.12845	14.5
270.09988	0.6
271.10736	8.2
273.12280	2.8
277.09702	1.8
278.10574	0.9
279.11258	4.9
281.09534	0.7
281.12830	1.7
282.10196	0.5
283.10764	4.1
284.11484	3.6
285.12338	4.9
286.13113	0.8
287.13885	13.4
293.09222	0.6
294.09930	0.6
295.10687	2.1
296.11682	0.9
297.12323	9.5
299.13913	4.6
300.11319	0.8
302.13031	0.5
305.09369	0.6
307.10770	2.4
309.12366	1.6
311.10168	0.6
312.14999	1.3
313.12476	0.9
314.12866	1.6
314.16333	0.5
315.13840	1.1
316.14520	1.3
317.15302	0.9
321.08865	1.1
321.12280	0.6
323.10178	6.8
325.11795	14.8
326.12851	1.2
326.16641	1.3
327.13531	2.5
327.17105	1.1
328.10837	2.4
328.14529	2.1
329.11734	0.5
329.15280	1.5
330.12653	1.0
330.16089	1.6
331.16858	2.5
334.09003	0.6
337.11633	1.0
339.13403	1.1
340.14377	1.0
341.11868	1.5
342.12332	5.5
342.16150	1.0
343.12985	6.3
343.16721	0.6
344.13876	1.1
344.17621	0.6
345.14395	0.7
352.14233	0.7
354.12402	0.7
354.16431	0.9
355.13110	2.2
356.13864	4.5
357.14407	17.8
358.15350	4.0
365.11407	0.9
367.13376	0.8
369.14713	0.7
370.11780	1.1
370.15692	4.8
371.16214	1.5
372.17328	1.0
374.18762	0.7
378.18256	1.3
380.13910	0.9
382.11581	2.6
383.12695	2.2
384.13235	4.2
384.16949	0.5
385.14056	2.8
386.14810	1.8
386.19183	2.3
388.16599	0.8
390.18115	4.0
394.15771	0.9
397.14572	0.6
398.14978	17.0
399.15753	24.9
400.16504	3.3
401.13696	0.7
402.18130	1.5
404.16037	6.3
412.16565	2.2
413.17056	0.6
414.18192	4.2
415.16418	0.5
416.15991	17.3
417.16562	1.2
422.16937	2.1
428.15851	4.1
430.17618	3.1
431.18494	0.7
432.19211	0.7
440.16104	7.4
441.16650	0.7
446.17093	8.5
447.17902	0.5
458.17081	25.4
459.17621	1.6
460.18805	0.7
478.19736	2.6
487.17102	7.1
490.19717	9.9
519.19843	1.9
520.20624	0.9
522.22156	2.4
523.22968	0.6
539.26941	0.5
541.24628	1.2
551.23096	0.8
565.24280	0.7
567.25989	1.1
569.24048	5.8
583.25690	0.9
593.24005	5.1
602.21033	1.0
608.22351	1.5
611.24969	100.0
612.25299	5.2
620.22205	3.0
625.26587	0.7
643.27582	24.7
644.27814	1.6
684.28253	0.7
727.30017	0.7
729.32007	0.8
737.28247	1.4
745.29956	1.3
755.28979	3.9
773.30188	39.1
774.30603	3.0
787.32074	0.7
805.32770	5.2
935.34259	1.0
967.33691	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	1.8
70.16236	1.6
79.05479	1.2
80.20740	0.4
81.03419	1.1
82.06549	0.4
85.02905	1.6
91.05468	0.9
92.05036	0.4
93.05775	0.4
93.07039	1.0
94.06574	4.3
95.04959	0.7
95.07353	0.8
96.08129	3.1
97.02885	1.5
106.06583	0.6
107.07312	0.9
108.04488	2.2
108.08116	6.8
110.06051	0.5
110.09674	5.9
116.05003	1.1
118.06493	0.6
120.04467	3.6
120.08099	4.7
122.06024	4.8
122.09693	0.7
124.07601	3.7
124.45713	0.4
134.06041	2.3
136.07574	8.7
138.05498	0.5
138.09140	9.1
144.04451	2.5
146.06021	4.2
148.07564	3.1
150.05559	0.5
150.09120	1.2
152.07091	1.5
160.03903	2.9
162.05515	2.8
164.07089	1.5
166.08627	12.8
166.09926	0.9
167.07286	0.8
168.99263	0.4
172.03925	16.6
172.07443	0.7
172.45851	0.4
173.04314	0.5
174.05496	1.6
176.07066	2.7
178.05034	0.7
182.09697	0.6
184.09967	0.5
186.05569	0.5
186.09169	0.7
190.04982	13.7
192.06433	0.5
197.10788	1.5
198.09190	0.7
199.08675	0.7
199.12300	1.0
204.06544	32.1
204.91942	0.5
209.10738	1.2
210.09415	0.8
211.08675	2.7
211.12296	1.0
212.09442	1.3
213.10184	0.8
221.10793	0.9
223.08711	1.0
223.12401	0.5
224.09520	1.1
225.10225	7.2
226.11093	1.0
227.11781	12.0
227.13948	0.8
236.09453	1.4
237.10162	2.6
238.10948	1.1
239.11719	2.6
241.09740	1.5
241.13394	1.6
243.11314	0.5
245.12894	0.8
249.10294	1.8
250.10887	0.7
251.08252	1.1
251.11797	3.1
253.09709	4.4
253.13469	0.8
254.10310	0.5
255.11371	1.7
257.12830	0.6
263.08218	1.1
263.11923	0.6
264.08801	2.6
265.09772	2.7
266.10556	1.3
267.11227	2.5
269.09839	0.7
269.12869	13.6
271.10733	8.0
273.12277	3.1
277.09705	1.7
279.11310	3.7
280.11862	0.5
281.09253	0.7
281.12952	1.0
283.10699	4.8
284.11554	4.6
285.12247	4.5
286.13065	0.9
287.13898	11.8
289.13101	0.5
291.11356	0.6
293.09131	0.7
294.10025	0.7
295.10861	1.4
297.12280	8.0
299.13910	3.3
300.11331	0.6
302.13043	0.5
305.09280	0.7
307.10544	2.1
309.12372	1.1
311.10678	0.6
311.14273	0.8
312.11810	0.5
312.15088	1.2
313.13000	1.0
314.12949	0.9
315.13736	1.2
316.11078	0.9
316.14621	1.6
317.15469	0.8
321.08737	0.9
321.12366	0.9
323.10257	7.3
324.11212	0.5
325.11786	16.0
326.16556	1.0
327.13562	2.9
327.17389	1.1
328.10748	2.6
328.14490	1.8
329.11591	0.6
329.15137	1.9
330.12576	0.9
330.16107	1.9
331.16785	1.8
337.11917	0.5
339.13962	0.7
340.14655	1.1
341.11722	1.4
342.12311	5.1
343.12970	7.6
343.16608	0.5
344.13782	1.3
352.14514	0.6
354.12283	1.2
354.16068	1.3
355.13251	1.3
355.17142	0.7
356.13858	5.5
356.17197	0.5
357.14453	18.4
358.15533	3.3
360.17249	0.5
365.11340	0.8
366.12167	0.8
366.16196	0.9
367.13120	0.6
368.14096	0.6
369.15073	0.7
370.11581	0.7
370.15530	5.0
371.16486	1.1
372.17096	1.9
374.19086	0.7
378.18109	1.6
380.13962	1.1
382.11511	2.9
383.12531	2.1
384.13150	4.1
384.17734	0.9
385.14224	1.9
386.14355	2.5
386.19162	2.3
387.15533	0.9
388.16568	1.4
390.18149	3.2
394.15518	1.4
395.16193	0.5
396.17715	0.6
397.14761	0.8
398.14948	15.9
399.15750	26.6
400.16489	2.1
401.13367	0.6
402.18265	1.2
404.16101	6.4
410.15253	0.5
412.16586	2.0
414.18176	4.3
415.15970	0.5
416.16010	16.8
417.16711	1.2
418.17569	0.8
422.17413	2.1
423.15820	0.5
425.13199	0.6
428.16000	3.2
430.17587	4.3
440.16046	6.6
441.16113	0.5
446.17093	6.2
447.17834	0.8
458.17090	27.0
459.17444	1.3
460.08762	0.4
460.18750	0.9
469.15854	0.7
472.18546	0.7
478.19720	2.5
479.54666	0.5
487.17072	7.3
490.19684	9.4
491.20233	0.7
518.18951	0.6
519.19788	1.7
539.26904	0.5
541.24469	1.3
551.23315	1.0
552.23462	0.6
567.26270	1.2
569.23920	3.9
583.25421	1.2
590.21466	0.6
593.23779	4.2
602.21558	1.0
608.22675	0.8
610.24414	0.8
611.24957	100.0
612.25269	3.5
620.22504	3.8
625.26617	0.6
643.27576	24.4
644.27576	1.2
729.30969	1.1
737.28241	1.6
745.30219	1.1
755.29437	2.8
772.28552	0.5
773.30212	43.6
774.30579	2.2
788.30072	0.6
805.32532	6.9
922.12543	0.5
935.34576	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99796	0.5
69.03427	0.9
70.93111	0.6
70.93472	0.4
71.04978	1.0
76.19217	0.3
79.01849	8.7
81.03404	3.6
85.02898	0.5
91.05495	0.6
96.04389	0.4
97.02891	2.0
98.21488	0.4
103.05467	0.9
105.03415	0.4
107.01299	2.0
109.02864	2.1
113.05997	2.1
119.04889	0.4
123.04467	0.3
123.33115	0.3
124.26768	0.3
125.02333	4.8
127.03960	1.7
129.03328	0.3
141.05455	4.4
143.03391	10.9
147.04381	0.9
153.01823	100.0
153.02843	4.5
154.02180	1.0
157.02824	0.5
161.02296	0.6
163.03896	0.8
173.02324	0.6
175.03888	1.5
181.06578	0.4
185.02330	1.0
187.03888	2.5
189.01785	0.7
191.03383	1.6
193.01472	0.3
197.05952	0.4
201.01826	1.3
203.03372	2.2
207.02899	0.7
213.01886	1.7
215.03368	1.9
217.01381	0.8
219.02879	1.4
229.01324	1.1
231.02853	11.0
235.02365	1.5
241.01300	1.6
243.02875	0.6
245.00812	0.9
245.04436	0.4
247.02403	2.6
249.03990	0.5
257.00772	1.8
259.02371	16.4
261.04004	0.5
269.04422	0.3
273.00214	0.8
273.03711	0.5
275.01889	2.4
275.04483	0.4
276.02524	0.6
277.03418	43.2
278.03720	0.9
285.00345	1.3
287.01935	0.5
297.03824	0.4
299.01773	0.4
300.99719	0.5
301.03372	0.5
303.01349	16.1
313.03436	0.8
317.03018	0.5
319.00827	1.2
319.04376	0.7
321.02319	2.8
325.03326	0.6
327.01364	0.5
327.04858	0.4
328.99222	0.4
329.02914	0.8
331.00775	0.6
337.01794	3.7
339.05045	1.1
345.02335	1.6
349.85913	0.4
351.03394	0.7
353.02777	0.6
355.00607	0.4
357.02277	0.4
365.02771	2.0
367.04449	0.8
381.06137	0.7
383.04074	0.7
393.02542	1.3
397.05530	1.0
399.07632	0.7
403.02881	0.5
411.03360	0.7
425.05127	2.3
429.04675	0.4
445.04022	0.4
459.05139	0.4
463.04785	0.4
477.06592	0.7
672.67914	0.4
783.05780	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99763	0.4
69.03426	0.7
70.26513	0.6
70.75166	0.2
71.04977	1.0
79.01852	9.0
79.05473	0.2
81.03415	4.3
85.02895	0.8
85.06539	0.6
91.05472	0.4
95.01297	0.3
97.02892	2.4
98.31606	0.2
99.04469	0.2
101.03340	0.2
103.05457	0.5
107.01305	1.9
109.02869	2.1
111.04428	0.4
113.06012	2.4
119.04969	0.3
122.57551	0.2
123.00768	0.2
125.02349	5.3
125.03268	0.3
127.03893	1.4
129.03397	0.4
131.04912	0.6
133.02835	0.5
134.49951	0.2
139.03889	0.2
141.05466	4.1
143.03392	11.4
145.02892	0.3
147.04446	1.0
153.01825	100.0
153.02837	4.4
154.02155	1.2
157.02869	0.7
159.04428	0.2
161.02361	0.4
163.03905	1.2
173.02327	0.6
175.03891	1.7
179.03400	0.3
185.02307	0.7
187.03867	2.7
189.01836	0.8
191.03368	1.8
193.01367	0.4
201.01855	1.6
203.03366	2.7
207.02911	1.2
213.01857	2.1
215.03374	2.7
217.01324	1.0
219.02867	1.9
221.04457	0.4
227.03357	0.4
229.01347	1.4
231.02873	11.5
232.03357	0.2
235.02301	1.7
235.04112	0.2
237.05531	0.4
241.01315	2.1
241.04980	0.3
243.02960	0.4
245.00761	1.0
245.04480	0.5
247.02374	3.0
249.03975	0.6
253.05051	0.2
255.02780	0.3
257.00851	2.1
259.02377	18.1
260.02829	0.4
261.03928	0.3
263.01862	0.7
265.04880	0.5
273.00674	0.9
273.03922	0.8
275.01837	2.7
276.02597	1.0
277.03427	42.3
278.03854	1.2
283.02496	0.2
283.05966	0.2
285.00302	1.4
287.01868	0.9
289.03271	0.2
291.01434	0.3
293.04279	0.3
297.03860	0.3
299.01901	1.0
300.99994	0.3
301.03397	0.6
303.01346	16.8
304.01666	0.4
309.03986	0.3
311.05405	0.6
313.03491	0.6
315.01486	0.4
315.04929	0.5
317.02859	0.6
319.00803	1.2
319.04480	0.7
321.02356	2.6
323.02078	0.2
325.03375	0.3
327.01447	0.9
327.04651	0.3
328.99286	0.2
329.02945	0.7
331.00815	1.1
333.02374	0.3
335.04120	0.3
337.01782	3.8
339.01315	0.3
339.05005	1.9
341.02960	0.3
343.04529	0.3
345.02438	1.9
351.03537	0.5
353.02866	0.6
355.00745	0.7
355.04565	0.3
365.02811	1.7
366.03683	0.3
367.04272	0.9
371.07626	0.2
381.06076	0.9
383.03708	0.5
385.05795	0.3
393.03098	0.9
397.05569	0.8
399.07095	0.7
403.03085	0.4
407.04141	0.5
411.03549	0.8
413.04794	0.2
415.06989	0.2
425.05042	2.0
429.04489	0.2
443.06232	0.5
445.03928	0.3
459.05624	0.2
463.04565	0.3
477.06601	0.6
624.30469	0.2
765.07281	0.2
783.06195	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	3.9
70.82533	5.3
73.75664	2.0
76.16806	1.7
79.05505	5.8
80.04998	2.6
81.03414	8.4
81.07041	2.3
82.06596	1.8
85.02887	2.8
91.05477	5.1
93.05753	4.1
93.07021	6.4
94.06570	11.8
95.04966	2.2
95.07394	3.6
96.08142	11.2
101.56780	1.8
103.05479	3.2
104.05003	1.7
106.06562	5.6
107.07340	4.4
108.04466	4.1
108.08121	28.3
108.08804	3.6
109.02901	4.5
110.09682	15.7
116.04955	2.5
118.06544	2.1
120.04501	5.2
120.08111	23.1
121.06502	2.3
122.05386	1.6
122.06040	16.1
122.09653	8.5
124.07590	6.9
127.03912	2.2
131.04979	2.0
132.08081	3.1
134.06035	8.5
136.07574	37.0
137.05959	4.6
138.05463	1.9
138.09134	28.3
144.04439	4.8
146.06017	14.8
147.04382	1.9
148.07581	17.9
150.05501	1.9
150.09106	15.6
152.07066	6.2
153.01836	6.2
160.03934	4.0
160.07532	3.3
162.05516	10.1
164.07083	6.0
166.07336	3.5
166.08629	29.8
167.07050	4.3
167.08498	1.8
172.03952	19.0
172.07674	2.2
174.05533	8.6
176.07045	12.0
178.04938	2.3
180.10207	2.2
184.09688	2.2
184.24776	1.8
188.07149	1.8
190.04990	19.2
190.08659	2.5
198.11575	2.7
200.07123	2.8
204.06522	14.5
208.09837	2.6
211.08601	3.3
212.09430	2.5
216.06625	2.4
218.08093	2.6
221.10722	2.2
223.08656	2.4
223.12273	3.5
225.10234	8.9
226.11021	2.3
227.11755	14.9
236.09384	2.8
237.10233	7.9
238.10780	2.1
239.08144	2.6
239.11671	9.1
240.12576	3.3
241.13475	2.3
245.12947	2.7
246.11302	3.6
249.10239	7.7
250.10954	5.1
251.08055	4.6
251.11775	14.6
252.08923	3.7
252.12534	2.6
253.09752	8.0
253.13354	5.1
254.10689	2.2
255.11244	10.0
261.10214	3.1
262.11035	2.9
263.08493	2.7
263.11795	9.0
264.08911	2.9
264.12744	4.6
265.09720	19.4
265.13339	5.5
266.10474	10.9
267.11288	19.4
268.12067	2.3
269.12781	5.1
271.10742	2.9
273.12323	5.6
277.09695	12.4
277.13034	4.6
278.10458	6.6
279.11288	28.2
280.08401	3.1
280.12030	7.0
281.09897	2.3
281.12759	11.5
285.12274	3.3
287.05463	8.4
289.09882	2.1
291.11295	7.5
292.12000	3.0
293.09171	12.9
293.12436	4.1
294.10217	4.3
295.10898	9.1
295.13834	1.8
296.11594	2.2
297.12231	12.4
299.13965	6.9
303.11343	5.7
305.09140	7.4
305.12488	3.2
306.09970	4.3
307.10794	19.3
308.11432	2.9
309.09094	1.9
309.12256	10.2
311.13992	3.4
317.09259	3.0
319.10449	4.3
321.12241	10.7
322.09164	2.8
322.12860	2.4
323.10434	5.5
323.13983	2.6
325.11697	13.6
327.13358	8.4
329.15207	2.5
331.10980	2.8
333.12512	2.5
335.10196	2.6
335.14035	2.9
337.11798	2.8
339.13477	5.1
341.14984	2.7
342.12683	3.1
343.12979	2.6
344.14142	2.8
347.10214	3.1
349.11835	3.8
351.13425	3.5
353.10687	2.0
353.15128	5.2
355.13345	2.8
356.13922	4.6
357.14615	5.1
358.15381	5.5
363.13464	3.0
365.11203	4.2
367.12695	2.9
368.13770	2.7
369.14615	8.6
370.15445	5.3
372.17068	2.5
380.13770	2.2
381.14661	3.5
384.13257	6.0
386.14856	7.7
388.16504	4.3
393.10480	2.9
398.14859	4.6
399.15530	3.8
400.16299	10.8
412.16602	2.7
413.17126	5.8
414.18085	3.6
429.16312	2.5
430.17850	6.0
432.18933	4.4
453.12402	2.3
454.17593	2.0
455.14044	3.0
458.17188	2.5
467.14365	3.6
469.16446	2.3
471.17606	2.7
481.15973	3.7
483.13809	3.4
527.16467	2.4
560.20367	2.4
572.20288	2.2
584.20306	3.6
588.19958	3.0
590.21973	2.9
592.22687	4.2
593.23834	4.6
594.24158	3.9
602.21362	3.5
604.21106	2.4
606.24750	8.9
616.19379	2.5
618.24438	5.5
619.24579	2.0
620.22064	3.8
622.24133	3.1
634.23810	7.1
636.22235	8.6
646.20209	5.1
648.21918	10.5
663.23828	6.9
666.26245	2.4
691.24780	3.8
701.25403	2.5
719.26544	6.5
727.29706	2.7
730.21429	3.5
737.27881	6.9
748.22900	2.9
753.27087	2.2
755.29224	100.0
756.30048	25.7
757.30273	11.3
764.25739	2.3
765.26508	5.7
769.27509	4.5
772.23499	3.8
780.24921	2.7
781.26654	3.4
787.31256	6.7
788.32764	2.1
790.24353	3.9
791.24847	5.5
792.24268	2.4
808.25623	39.0
809.26355	37.7
810.26361	6.0
823.26996	3.6
840.27783	6.7
841.28259	5.3
842.29785	3.5
849.28656	4.4
877.28491	3.3
895.29779	4.0
913.31195	9.1
931.32458	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
67.89525	0.6
69.03423	4.7
70.69859	1.7
71.01356	1.2
79.01808	0.6
81.03413	34.5
83.01355	0.8
83.04982	0.5
85.02881	2.0
89.03885	0.5
95.01328	4.3
97.02885	2.4
99.00797	1.7
99.04469	1.3
100.01946	0.6
101.02347	0.6
103.05444	0.9
109.02872	14.8
111.00784	1.2
111.04385	0.8
113.02354	1.2
121.02840	1.5
125.02309	0.9
127.03893	3.3
131.04887	1.0
137.02307	4.3
139.03885	2.0
141.01828	4.9
145.02869	0.6
147.04420	1.3
149.02345	0.8
153.01765	0.9
155.03358	0.8
157.02831	1.5
163.03879	1.5
165.01831	6.9
167.03395	5.7
169.01314	1.2
173.02344	1.4
175.03882	2.4
177.01797	1.3
181.01341	1.0
183.02885	4.6
185.02327	1.3
187.03905	5.5
189.01840	0.7
191.03400	2.7
193.01320	12.2
193.18306	0.6
195.02855	1.4
201.01811	4.1
201.03891	1.5
203.03354	3.6
207.02858	0.9
211.02258	2.7
213.01862	3.7
215.03439	4.6
215.69092	0.6
217.01335	1.8
219.02885	3.1
221.00795	42.5
229.01392	2.6
229.03238	1.0
230.01909	0.9
231.02858	19.0
239.01843	25.9
241.01248	3.6
243.03018	0.8
245.00894	1.0
247.02367	6.0
257.00775	5.2
259.02371	34.3
260.02780	0.9
263.01816	1.2
271.02478	0.9
273.00220	1.0
274.01508	0.5
275.01804	9.1
276.02530	3.0
277.03412	100.0
278.03693	1.7
285.00256	3.6
287.01822	1.1
303.01334	54.2
304.01718	0.6
305.02841	0.6
313.03162	0.7
321.02460	2.7
333.02521	0.9
365.05069	1.6
429.04233	1.0
431.02603	0.8
449.03412	0.8
451.05563	0.7
477.02921	3.0
495.04034	13.0
496.04147	0.7
603.90387	0.6
618.08118	0.6
621.07269	1.0
639.09021	2.8
959.10028	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	957.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
67.62334	1.6
68.99799	2.3
69.03089	2.4
69.03429	38.3
71.01357	3.2
71.04976	4.3
79.05458	2.0
81.03415	100.0
81.35412	2.2
85.02891	7.2
91.05437	2.9
95.01328	3.6
95.04924	2.0
97.02867	7.2
98.21716	2.6
99.04424	2.4
107.04950	2.8
109.02126	3.1
109.02869	60.6
111.04425	1.9
117.03349	3.2
123.04454	2.7
125.02355	1.8
127.03906	19.9
133.02864	6.7
135.04387	3.3
137.02313	5.6
139.03865	2.3
145.02870	2.7
147.04401	5.9
153.01801	9.2
157.84390	1.9
160.65869	1.7
161.02333	10.4
163.03886	17.8
165.01810	11.3
173.02321	5.1
175.03873	3.9
177.01907	3.5
179.03387	5.9
181.01399	2.2
187.03864	3.5
189.01820	22.2
191.03378	26.7
193.01321	39.9
195.03004	2.4
201.01823	13.4
203.03357	14.7
205.01323	2.3
207.02870	21.1
209.04456	3.0
211.02206	2.3
215.03386	6.3
217.01312	35.0
217.49808	2.1
218.02005	3.8
219.02876	28.9
221.00813	45.7
229.01271	11.9
229.04781	2.9
229.99220	1.9
230.01622	2.3
231.02834	18.0
235.02344	35.6
239.01872	7.0
241.01442	2.7
241.05077	4.4
243.02951	9.9
245.00807	29.5
247.02356	31.6
257.00751	18.1
257.04486	3.7
259.02383	24.0
260.03052	2.3
261.03918	4.9
263.01797	15.0
271.02417	9.9
271.99310	1.9
272.97461	2.5
273.00299	34.7
274.00851	2.5
275.01843	30.5
276.02509	6.9
277.03366	6.3
279.03067	2.0
283.02292	2.0
283.92334	2.0
285.00244	11.9
285.03653	4.3
287.01941	12.2
287.05035	2.6
289.03314	15.4
291.01334	7.8
295.02411	1.9
297.03888	6.3
299.01816	14.9
300.99756	15.8
301.03052	2.7
302.00540	5.0
303.01337	59.8
303.04791	3.5
304.01965	2.3
311.02106	2.4
312.99643	5.7
313.03406	8.6
315.01477	21.4
315.04962	4.0
317.02881	10.0
319.00845	28.7
321.02344	7.7
323.01797	4.5
327.01447	13.3
328.88977	2.4
328.99228	29.9
329.02899	5.6
331.00699	4.9
333.02499	18.4
337.01865	78.7
338.02298	2.3
339.01291	6.4
340.99182	13.3
341.02884	8.7
343.00742	18.5
345.02377	32.5
353.02921	8.9
355.00787	5.1
357.02301	2.1
359.00296	29.3
361.01797	5.6
367.00882	3.9
368.98560	8.9
369.02438	19.2
371.00186	34.5
371.04050	3.5
373.01938	4.4
379.01160	2.2
397.01913	37.9
405.04410	15.6
407.02429	5.5
413.01239	3.4
415.02863	13.6
427.03033	2.6
431.02344	15.7
433.04071	12.4
441.01025	2.7
445.03766	6.7
449.03421	8.0
451.05011	30.5
458.96112	2.2
459.01813	12.2
463.04984	20.4
476.96466	3.4
477.02945	50.5
481.06262	2.7
495.04120	2.1
603.05963	2.1
621.07111	4.1
939.06256	3.2
956.90741	2.3
957.08350	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	954.6145
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	52.0
69.03422	2.2
69.07059	12.7
70.90787	5.0
73.02912	4.4
79.05061	2.8
79.05494	38.3
81.06583	3.2
81.07055	57.1
83.04956	2.1
83.08622	7.4
85.02906	13.9
91.03951	10.7
91.05476	23.9
93.07031	47.1
95.04961	5.3
95.08603	47.4
96.57938	1.4
97.02901	6.1
97.06534	3.0
97.10155	3.6
103.05462	1.7
105.07037	15.0
107.08594	21.7
109.08784	1.6
109.10149	20.7
109.27330	1.7
111.08171	1.9
117.06976	8.0
119.08569	17.7
121.10131	21.8
123.11688	9.8
127.03917	4.2
127.24391	1.7
129.06963	2.3
131.08574	10.1
133.10121	14.2
135.11699	16.0
137.13280	2.7
143.08540	2.0
145.04933	4.3
145.10124	10.3
147.11664	10.4
149.13272	8.9
159.11697	8.6
161.13266	8.5
163.06033	7.7
163.14795	5.1
171.11754	2.3
173.13252	8.3
175.14833	3.2
177.16455	2.3
185.13272	4.0
187.14827	5.0
233.51384	1.7
241.19348	3.7
243.21075	7.6
259.20544	8.4
261.22159	20.6
317.24857	4.1
333.24265	8.1
335.25784	100.0
337.27414	11.8
479.85880	1.8
521.43762	3.0
534.89734	2.0
543.40186	2.0
581.79828	1.8
595.46893	14.8
613.48242	17.1
943.76514	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03448	0.8
69.03406	1.2
70.06559	0.7
79.05478	1.1
81.03422	1.0
81.07059	0.6
85.02886	1.5
85.14258	0.5
91.05470	1.1
93.03400	1.5
93.07061	2.1
93.11754	0.4
94.06573	4.5
95.04922	0.7
95.07339	1.7
96.08119	3.4
97.02888	1.0
97.06540	0.5
98.20656	0.8
103.05457	0.4
106.06529	1.3
108.04478	2.7
108.08109	5.6
109.02877	1.0
110.06038	0.4
110.09676	6.5
115.31231	0.5
116.04990	0.5
117.05741	0.5
118.06563	1.3
120.04456	3.2
120.08089	6.0
122.06022	5.1
122.09650	1.0
124.07596	7.2
127.03905	0.7
132.08012	0.5
134.05983	2.7
136.07570	4.9
137.06017	0.9
137.08307	0.7
138.05460	0.8
138.09128	9.5
144.04401	0.7
146.05998	61.0
148.07570	4.7
150.09145	1.7
151.07518	0.5
152.07057	2.8
153.01788	1.4
158.09627	0.6
160.07596	0.8
161.07072	0.5
162.05486	0.9
164.07065	2.2
166.08626	14.5
167.07104	1.0
172.03920	3.8
172.07608	0.5
176.07025	1.1
178.04993	0.6
181.04922	0.7
182.09659	0.9
183.09151	0.7
184.09854	0.6
186.09108	0.6
187.08691	0.8
190.04973	13.1
197.10736	1.5
198.09230	0.5
198.11397	0.6
199.08620	0.6
199.12247	1.5
209.10751	2.0
210.09178	1.3
210.11485	1.2
211.08553	3.1
211.12259	1.1
212.09407	1.6
213.10234	0.8
213.13783	0.5
223.08751	0.6
223.12430	1.1
224.09360	0.9
225.10185	5.8
225.13831	0.8
226.10942	1.3
227.11769	11.6
227.62819	0.5
229.79865	0.6
236.09447	0.8
237.10231	3.2
238.10927	2.2
239.11816	3.3
241.09767	1.1
241.13341	2.2
243.11101	1.1
245.12872	0.8
249.10245	0.8
249.96062	0.5
250.11087	0.6
251.11748	3.7
252.12527	0.8
253.09756	2.5
253.13335	4.7
255.11278	1.3
257.12827	0.8
263.11624	0.7
264.08990	1.2
265.09732	1.1
266.10492	0.6
267.11234	1.5
269.12845	6.8
270.09943	0.8
271.10834	2.9
271.14441	10.1
273.12381	3.0
277.03549	0.6
277.09601	0.6
279.11252	2.2
281.12869	4.0
282.13199	0.6
283.10660	2.7
284.11548	2.9
285.12280	8.3
286.12949	2.3
287.13876	25.2
290.13104	0.5
295.10757	1.5
297.12357	9.1
298.12973	0.7
299.13873	100.0
300.11276	0.6
300.14346	2.0
302.12946	0.6
303.01514	0.6
309.12393	0.6
311.13898	1.6
312.14932	0.6
313.15762	0.7
314.12906	1.3
315.13745	1.4
316.14462	3.9
317.15311	1.0
318.15930	0.7
321.12268	2.1
323.10208	1.9
325.11777	4.0
327.13663	0.8
328.10803	0.7
328.14377	2.0
329.15274	1.1
330.15894	5.8
331.16928	4.8
339.13492	3.0
341.15143	0.6
341.18765	0.5
342.12396	2.2
342.16089	0.9
343.12885	4.0
344.13846	1.4
344.17648	2.0
346.15366	0.5
346.19110	0.7
356.13916	2.4
357.14783	1.6
358.15421	6.9
359.15930	1.3
360.17236	0.6
368.17642	0.6
370.15524	1.1
371.16226	0.7
372.17120	4.5
373.17804	5.2
378.18091	8.9
382.12000	1.4
383.12756	0.6
384.13409	1.1
385.14038	0.6
386.14529	1.1
386.18799	1.3
388.20242	0.7
390.18082	9.9
398.14972	5.9
399.15750	7.6
402.18143	3.9
403.18506	0.6
404.15836	1.4
404.20309	0.7
414.18097	5.1
415.18008	0.6
416.15906	4.5
417.16312	0.6
420.19131	11.4
422.16818	1.2
428.16010	0.9
430.17557	1.0
431.18106	1.2
432.19147	38.4
433.19748	1.4
440.15649	2.1
446.17163	1.8
458.17148	7.3
461.19058	5.6
466.70221	0.6
476.18033	1.0
487.17068	1.9
503.95868	0.5
525.24780	0.9
539.26563	0.7
557.27679	0.6
567.26337	2.8
569.23895	1.7
585.27026	75.8
586.27789	2.2
589.47559	0.5
593.23920	0.8
611.24927	22.1
612.25311	0.7
629.26135	2.5
729.31525	0.8
747.32111	5.0
773.30188	12.2
791.31042	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	100.0
69.03423	6.7
69.07056	9.8
69.14553	1.5
71.04988	7.1
73.02891	2.1
76.38728	1.5
79.05064	3.6
79.05492	38.5
80.20124	1.6
81.03428	9.0
81.06584	3.0
81.07053	48.5
83.04982	3.7
83.08604	12.0
85.02897	9.6
85.06544	3.5
87.04466	47.8
87.04975	3.3
88.67643	1.6
91.03947	5.0
91.05469	21.8
93.07036	33.3
95.04955	6.2
95.08595	32.6
97.02882	5.0
97.06510	3.3
97.10162	10.0
99.04456	8.2
105.07030	15.8
107.08588	23.2
109.06519	2.3
109.10148	64.9
111.08044	3.8
117.07010	6.4
119.08580	14.1
121.10143	17.7
123.11697	3.6
125.09617	8.4
127.03903	3.2
129.06996	3.1
131.08551	10.4
133.10139	10.6
135.07976	1.5
135.11685	13.7
137.09584	5.1
137.13248	1.9
138.21011	1.7
139.11148	1.6
142.07921	1.7
143.10535	1.7
145.10120	9.8
147.11670	7.6
149.09555	2.2
149.13232	6.0
155.10687	3.9
157.10173	2.4
159.11691	6.1
161.13225	5.1
163.06100	1.8
163.11215	4.3
163.14798	2.5
173.11769	21.6
173.13185	3.4
185.13235	3.2
187.14842	2.5
191.10713	3.2
193.12263	3.3
194.72922	1.6
198.03358	1.8
199.13287	5.5
227.12787	5.7
229.14351	53.0
241.14259	2.6
243.21095	5.6
257.13773	4.7
259.20569	3.9
261.22101	15.3
267.15894	11.5
277.21542	2.5
289.21677	2.6
299.23489	1.8
315.17981	7.2
317.24826	3.6
335.25772	59.9
359.56522	1.9
363.25269	4.2
399.67487	1.7
477.35910	11.1
489.35727	83.2
517.35315	2.3
525.35596	2.2
535.73181	2.2
543.36707	6.1
561.37927	2.9
575.39325	2.9
593.40118	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	952.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
66.34348	2.0
67.05503	100.0
69.03418	9.2
69.07068	15.8
69.81778	5.0
69.82184	10.2
71.04992	17.1
73.02910	5.0
79.05492	55.2
81.03409	9.3
81.06585	3.7
81.07049	65.4
83.04969	7.6
83.08628	16.0
85.02888	14.3
85.06532	5.2
87.04465	36.8
91.03954	7.1
91.05474	32.0
93.07036	45.0
95.04960	8.7
95.08063	3.5
95.08608	41.8
97.02887	8.0
97.06514	4.1
97.10153	16.1
99.04443	22.0
105.07018	23.0
107.04939	4.0
107.08588	28.8
109.10152	51.5
111.04455	3.7
111.08077	5.0
115.03883	2.5
117.07011	8.6
119.08569	14.3
121.10159	20.4
123.08047	4.8
123.11718	5.3
125.09629	15.7
129.06990	4.6
131.08566	12.6
133.10109	12.4
135.06482	2.3
135.11652	12.3
143.08600	2.0
143.10646	2.8
145.04916	2.3
145.10100	14.7
147.11656	7.6
149.09599	3.6
149.13217	7.0
155.10713	2.3
157.10118	4.4
159.11687	8.4
161.13234	6.1
163.11171	7.2
171.11613	3.0
173.09663	2.8
173.11731	14.2
173.13275	7.0
175.14856	2.6
184.07434	2.3
187.14891	2.4
189.11223	4.2
191.10667	4.0
193.12184	3.6
199.13303	13.5
209.34296	2.2
217.14247	3.5
223.13226	4.6
227.12729	10.2
229.14336	33.7
241.14363	5.8
243.21127	3.4
259.20621	3.6
261.22037	13.8
267.15878	8.1
275.19562	2.1
283.15497	2.5
287.20679	2.2
307.90018	2.6
307.93512	1.9
315.18008	10.1
317.24655	2.4
335.22006	3.9
335.25772	54.9
343.68134	2.0
363.25616	4.5
451.32532	2.4
459.34686	2.6
477.35828	20.8
489.35727	40.6
543.36676	6.9
575.39374	4.9
593.40015	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	952.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	100.0
68.11279	1.8
69.03420	8.0
69.07064	17.9
71.01357	2.3
71.04984	14.2
71.31396	5.3
72.81100	1.9
73.02921	4.9
74.09090	1.6
79.05486	62.6
81.03417	10.5
81.07051	68.5
81.07526	4.0
83.04967	9.1
83.08606	15.6
85.02891	18.7
85.06541	3.7
87.04465	32.2
91.03952	5.4
91.05476	36.8
91.29895	1.8
93.07041	49.8
95.04960	10.6
95.08598	43.8
97.02898	9.4
97.06532	4.6
97.10169	22.4
99.04457	17.1
105.04536	1.8
105.07020	22.4
107.04937	5.1
107.08588	30.5
109.02909	3.4
109.06514	2.4
109.10155	54.3
111.08082	3.6
115.05423	3.0
117.07041	9.9
119.08572	19.6
121.10130	24.9
123.08000	3.4
123.11708	6.7
125.09625	17.7
127.03878	2.5
129.06985	2.7
131.08595	15.7
133.10130	13.5
135.08018	2.4
135.11688	16.2
137.09613	3.1
143.10641	3.0
145.10133	14.7
147.11711	6.8
149.09642	2.4
149.13251	6.5
155.10614	2.3
157.10109	3.8
159.11700	5.9
161.13242	2.9
163.05969	2.7
163.11151	7.5
163.14836	2.3
164.67859	2.0
171.11667	3.3
173.11726	13.9
173.13246	7.1
181.12262	2.7
187.14857	2.9
189.11200	4.0
191.10684	4.3
193.12242	4.8
199.13251	9.3
209.11681	2.8
217.14265	3.5
225.14816	3.2
227.12682	4.5
229.14359	34.7
241.14420	3.2
243.21155	4.6
259.20584	2.3
260.88852	2.2
261.22192	14.5
267.15906	7.7
283.15387	2.3
315.18033	11.5
317.24554	3.5
335.25790	69.1
363.25076	3.6
441.47650	2.4
477.35803	29.2
489.28906	3.4
489.35760	40.8
543.36359	7.2
575.39081	3.9
593.40387	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	952.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	100.0
69.03425	13.4
69.07068	40.7
69.07453	1.8
69.25797	1.7
69.26193	16.7
70.10083	1.4
71.01353	2.7
71.04993	10.5
73.02897	7.5
79.05489	76.4
81.03415	92.3
81.07050	92.0
83.04981	31.7
83.08177	1.2
83.08610	36.4
85.02900	42.8
85.06538	6.6
91.03955	8.8
91.05477	83.3
93.07040	69.1
95.04962	48.3
95.08604	47.4
95.09071	0.9
97.02885	17.6
97.06528	24.9
97.10165	12.8
99.04442	3.9
99.08077	4.9
103.03944	2.4
103.05471	2.3
105.04531	1.5
105.07025	59.2
107.04948	20.1
107.08589	38.5
109.02878	4.2
109.06511	12.2
109.10158	34.6
111.04439	5.1
111.08076	18.5
113.05982	4.7
115.05464	4.9
116.04633	1.4
116.06204	1.4
117.07014	15.7
119.04956	2.1
119.08575	52.7
120.09201	1.3
121.06525	8.3
121.10133	20.8
123.04430	2.1
123.08084	10.2
123.11708	5.3
125.09641	10.2
127.03916	5.3
128.06227	4.5
129.05490	7.6
129.07001	18.4
130.07841	1.6
131.08557	32.6
133.06493	6.3
133.10127	36.9
135.08035	4.7
135.11694	14.8
137.09612	17.0
139.11192	1.9
141.07007	2.4
142.07764	4.1
143.08551	5.3
145.05016	3.6
145.06435	2.1
145.10124	19.0
147.08044	6.4
147.11668	28.1
149.09618	29.3
149.13278	7.5
151.11195	5.3
155.08583	3.3
157.08717	2.9
157.10106	21.4
159.08031	1.9
159.11710	13.7
161.09630	3.5
161.13322	4.4
163.05974	1.8
163.11163	12.4
165.09071	2.6
165.12747	4.4
169.10123	2.3
171.11635	4.3
173.04445	4.2
173.11723	9.1
173.13289	4.2
175.11160	24.9
177.12752	5.9
179.14302	3.2
181.12279	1.9
183.11700	1.9
185.13240	4.3
187.13313	2.7
189.11198	4.1
193.12250	66.1
195.11783	1.4
195.13812	4.8
197.13229	2.9
199.13277	2.9
209.11642	2.7
211.13271	81.7
223.13229	2.1
227.12759	5.3
229.14334	13.8
243.15999	3.6
247.20610	2.2
249.14975	1.9
253.14244	2.6
255.15775	8.8
257.19003	6.6
267.15906	38.6
267.18607	2.9
269.17468	14.2
273.18457	4.7
275.20023	32.7
283.15421	2.0
285.16956	59.7
291.19717	8.9
293.21112	3.8
301.16611	9.5
331.22693	2.5
349.23761	34.7
365.23248	4.4
373.18631	1.7
381.22647	4.8
421.25842	4.0
423.27438	3.9
435.27545	2.2
439.26849	25.7
447.27402	3.1
449.31335	1.6
453.28381	5.0
461.29044	2.4
463.30688	4.0
465.28464	4.2
477.28226	4.6
479.30066	5.1
481.27652	3.4
495.29498	10.6
541.35138	14.3
557.34460	2.5
559.36340	40.2
575.35956	8.3
577.36865	4.9
690.14020	1.7
910.85260	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5089
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05181	6.8
67.05508	88.9
69.03438	16.0
69.07068	38.2
71.01353	4.5
71.04981	10.3
73.02914	8.7
75.86604	3.5
79.05492	85.2
81.03417	34.8
81.06589	5.4
81.07056	100.0
82.04168	5.8
83.04984	24.2
83.08619	23.8
85.02914	33.8
85.06538	6.9
87.86815	2.9
91.03949	13.7
91.05484	90.3
93.06480	4.8
93.07048	74.6
95.04973	40.1
95.08610	42.4
97.02878	15.2
97.06542	20.9
97.10163	16.5
98.07309	8.6
101.67393	2.9
105.07034	78.8
107.04945	14.2
107.08593	48.9
109.06520	10.9
109.10162	24.4
109.55599	3.3
111.08070	12.6
115.05497	4.6
116.04694	11.5
117.07010	32.4
119.08585	60.7
121.06498	8.9
121.10155	30.6
123.08047	9.7
123.11738	6.8
125.09644	15.2
127.03896	7.6
129.05476	31.0
129.06978	19.9
131.08578	37.2
133.06528	6.1
133.10130	63.4
135.08044	9.1
135.11679	21.8
137.09581	7.8
142.07756	3.8
143.08559	9.3
145.05043	3.2
145.10117	27.9
147.08029	7.2
147.11700	37.7
149.09607	12.6
149.13261	20.0
151.11104	5.9
155.08536	4.1
157.08577	13.0
157.10115	20.8
159.11688	21.8
161.13234	15.4
163.11168	10.8
169.10098	5.1
171.11661	16.3
173.11823	6.7
173.13264	13.1
175.11180	10.0
175.14848	5.3
177.12663	6.2
179.14305	3.4
182.03502	5.3
185.13184	7.5
185.62520	3.2
187.14839	5.0
189.11224	10.0
193.12219	12.5
195.13844	6.0
197.13141	4.2
199.13235	7.7
199.14894	4.4
209.11765	3.8
211.13286	7.7
217.95866	3.0
227.12747	13.7
241.19446	16.2
253.14291	4.1
257.19019	9.1
259.20566	40.3
267.15924	12.1
269.17435	25.3
275.20074	26.8
281.17300	3.3
283.15424	5.4
301.16507	49.4
301.19809	4.0
313.21487	3.7
333.24307	22.7
349.23599	14.6
423.27170	5.7
461.29153	6.2
495.29428	13.9
517.34937	4.7
525.35602	7.6
526.78406	4.2
542.35272	7.8
543.36261	10.3
559.36328	17.9
575.36603	3.7
577.37189	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	952.5089
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05181	6.8
67.05508	88.9
69.03438	16.0
69.07068	38.2
71.01353	4.5
71.04981	10.3
73.02914	8.7
75.86604	3.5
79.05492	85.2
81.03417	34.8
81.06589	5.4
81.07056	100.0
82.04168	5.8
83.04984	24.2
83.08619	23.8
85.02914	33.8
85.06538	6.9
87.86815	2.9
91.03949	13.7
91.05484	90.3
93.06480	4.8
93.07048	74.6
95.04973	40.1
95.08610	42.4
97.02878	15.2
97.06542	20.9
97.10163	16.5
98.07309	8.6
101.67393	2.9
105.07034	78.8
107.04945	14.2
107.08593	48.9
109.06520	10.9
109.10162	24.4
109.55599	3.3
111.08070	12.6
115.05497	4.6
116.04694	11.5
117.07010	32.4
119.08585	60.7
121.06498	8.9
121.10155	30.6
123.08047	9.7
123.11738	6.8
125.09644	15.2
127.03896	7.6
129.05476	31.0
129.06978	19.9
131.08578	37.2
133.06528	6.1
133.10130	63.4
135.08044	9.1
135.11679	21.8
137.09581	7.8
142.07756	3.8
143.08559	9.3
145.05043	3.2
145.10117	27.9
147.08029	7.2
147.11700	37.7
149.09607	12.6
149.13261	20.0
151.11104	5.9
155.08536	4.1
157.08577	13.0
157.10115	20.8
159.11688	21.8
161.13234	15.4
163.11168	10.8
169.10098	5.1
171.11661	16.3
173.11823	6.7
173.13264	13.1
175.11180	10.0
175.14848	5.3
177.12663	6.2
179.14305	3.4
182.03502	5.3
185.13184	7.5
185.62520	3.2
187.14839	5.0
189.11224	10.0
193.12219	12.5
195.13844	6.0
197.13141	4.2
199.13235	7.7
199.14894	4.4
209.11765	3.8
211.13286	7.7
217.95866	3.0
227.12747	13.7
241.19446	16.2
253.14291	4.1
257.19019	9.1
259.20566	40.3
267.15924	12.1
269.17435	25.3
275.20074	26.8
281.17300	3.3
283.15424	5.4
301.16507	49.4
301.19809	4.0
313.21487	3.7
333.24307	22.7
349.23599	14.6
423.27170	5.7
461.29153	6.2
495.29428	13.9
517.34937	4.7
525.35602	7.6
526.78406	4.2
542.35272	7.8
543.36261	10.3
559.36328	17.9
575.36603	3.7
577.37189	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	950.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	98.4
68.21075	2.1
69.03435	16.6
69.06727	3.8
69.07071	56.6
69.50032	5.6
69.50436	13.0
71.01358	3.0
71.04996	12.6
73.02888	5.7
74.38671	1.9
77.03905	2.6
79.05494	79.5
81.03416	41.6
81.07057	88.0
83.01360	13.3
83.01775	2.9
83.04973	29.7
83.08609	26.4
85.02909	30.2
85.06550	6.3
88.88410	2.3
91.03959	13.9
91.05479	81.0
93.07044	88.5
95.04971	37.2
95.08609	57.0
96.04469	2.2
97.02888	26.1
97.06535	24.9
97.10179	14.8
98.20694	4.3
99.04446	7.0
99.08096	4.3
103.05460	3.3
105.07034	49.6
107.04961	22.9
107.08596	54.2
109.02890	4.6
109.06509	16.4
109.10165	39.6
111.04443	6.0
111.08109	11.6
116.04716	3.5
117.07003	26.1
119.08585	42.4
121.06522	11.7
121.10137	26.2
123.08053	15.1
123.11707	6.2
125.06000	3.2
125.09633	19.0
127.03895	10.2
129.05515	10.8
129.07024	8.4
130.07762	3.8
131.08571	23.6
133.06506	6.7
133.10130	31.3
135.08037	9.1
135.11688	24.5
137.05940	2.8
137.09624	20.4
142.00354	2.0
142.07759	2.8
143.07018	2.8
143.08571	9.0
145.04936	4.3
145.06494	5.3
145.10127	39.5
147.08037	8.9
147.11703	16.3
149.09618	20.0
149.13251	6.1
151.11180	6.6
153.12733	3.9
155.08516	4.1
155.10637	2.3
157.08574	6.2
157.10146	7.0
159.08133	3.9
159.11714	11.6
161.09636	5.9
161.13275	7.5
163.06035	3.6
163.11180	45.2
165.09108	3.5
171.11691	5.7
173.04503	2.1
173.09653	5.4
173.11719	12.4
173.13338	6.9
175.11177	6.4
177.12715	3.8
179.10732	2.4
179.14319	6.0
181.12274	7.4
183.11656	3.7
185.13254	3.2
189.11229	8.7
191.10698	5.9
193.12231	6.7
195.13721	2.1
197.13326	2.9
199.13290	4.5
203.14246	2.4
205.12288	2.8
209.11743	16.1
211.13371	3.6
223.13234	13.0
227.12782	20.4
229.14290	10.4
239.18083	3.5
243.16017	2.5
245.19077	3.2
247.20734	3.1
253.14395	10.0
255.15892	4.5
257.18964	8.7
263.20081	3.2
265.14279	3.2
267.15976	10.4
269.17468	2.6
273.18466	12.3
275.20108	35.3
283.15402	100.0
284.15826	4.5
285.17020	5.2
291.19553	60.2
293.21136	4.9
301.16486	30.0
305.79337	2.4
331.22519	3.2
347.22073	3.2
349.23715	51.4
365.23282	25.3
373.18588	2.3
378.22720	2.4
379.21152	11.1
380.28400	2.5
419.24255	2.8
437.25381	57.1
449.01010	2.5
451.26843	8.9
461.29059	12.3
463.27023	5.8
477.28384	6.1
489.27234	2.6
493.28378	2.9
505.27866	2.2
513.72937	2.1
539.33655	6.4
557.34747	64.0
558.34576	3.9
573.34174	14.8
574.34900	3.0
575.36090	11.6
591.35132	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	949.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	42.4
69.03414	3.8
69.07059	10.6
71.05003	2.8
71.58445	2.3
73.02902	3.9
75.61262	1.7
76.45193	1.8
79.05492	31.9
79.91089	2.0
81.03448	4.1
81.07053	43.5
83.04967	2.4
83.08616	10.8
85.02917	10.3
85.06519	2.0
91.03954	6.2
91.05480	40.9
93.07042	39.5
93.62906	1.9
95.04943	5.2
95.08604	32.3
97.02876	7.0
97.06541	4.6
103.05457	2.0
105.07025	33.9
107.08599	17.1
109.06523	12.5
109.10139	8.6
111.08116	4.5
115.05436	3.0
116.06252	2.1
117.07014	19.4
119.08573	20.3
121.06519	5.5
121.10133	14.1
123.08048	8.0
123.11692	2.9
125.09625	3.2
125.53856	1.7
127.03879	3.0
128.06219	9.7
129.07002	10.6
130.07797	3.7
131.08575	32.9
133.06479	11.5
133.10135	12.8
135.08060	4.9
135.11673	7.3
141.07001	4.3
142.07758	3.5
143.07491	3.3
143.08554	31.1
145.04948	2.7
145.10129	32.2
147.08054	10.7
147.11674	5.7
149.09612	2.3
149.13263	5.2
151.07561	2.3
155.08594	4.6
157.10156	10.0
159.08038	3.6
159.11699	16.9
161.09624	11.9
161.13271	2.1
163.11166	4.9
167.08609	2.4
169.10138	8.3
171.11691	9.2
173.09616	4.7
173.13272	2.1
175.11153	6.2
177.12698	9.7
181.10089	5.7
183.11705	3.4
185.13196	5.1
187.11133	2.0
194.27222	2.0
195.11739	6.6
211.14690	2.3
217.42546	1.9
218.49452	2.4
227.17990	5.0
237.16348	7.7
248.05583	2.1
255.17497	15.5
261.22021	5.0
265.48444	1.8
273.18488	47.7
284.07788	1.8
291.19543	3.4
328.32025	2.0
329.21075	5.7
329.71072	2.0
333.17395	1.6
335.25787	100.0
336.26001	2.5
347.22229	27.3
396.99283	2.2
607.43530	67.0
608.44263	2.9
625.44153	7.2
663.50134	2.2
765.07751	2.2
769.49280	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	941.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99793	2.2
69.03427	8.8
69.92982	1.6
69.93394	3.4
70.46106	0.8
74.62339	0.9
79.01856	2.4
81.03413	29.9
83.01305	2.0
85.02891	3.9
89.03921	1.0
92.98144	0.8
92.99763	1.5
93.03414	1.3
95.01324	4.6
97.02885	3.7
99.00794	1.6
99.04459	1.5
101.02393	1.4
103.05474	1.1
109.02876	22.3
111.00768	0.9
111.04449	1.0
113.02325	1.5
116.98596	1.1
117.90020	0.8
121.02847	3.8
123.00785	2.2
125.02342	1.7
127.03898	5.2
128.98657	0.8
131.04849	0.9
133.02835	1.1
133.84508	0.8
134.99670	1.6
135.04433	1.2
137.02325	3.2
139.03943	1.0
139.71397	0.8
141.01830	1.7
145.04968	1.1
146.99628	1.0
147.04344	1.4
149.02289	2.5
151.00151	1.2
153.01833	3.4
159.63297	0.8
163.03888	2.5
165.01814	11.3
166.99748	1.2
167.03419	4.5
169.01315	1.2
173.02431	1.6
175.03918	2.4
177.00531	1.1
177.01945	1.9
181.01228	1.0
182.99251	0.9
185.02461	1.8
185.21291	0.9
187.03943	4.6
189.01898	1.3
191.03395	3.8
193.01332	29.9
194.99243	1.3
195.02863	1.4
201.01888	5.7
203.03343	5.2
205.01309	1.6
211.02399	2.5
213.01848	3.6
215.03401	3.6
217.01355	1.6
219.03032	5.8
221.00800	58.3
222.01250	1.2
229.01303	5.0
231.02867	23.4
239.01866	6.1
241.01288	3.4
245.00816	3.2
245.04874	1.5
247.02383	11.3
257.00833	7.3
259.02362	35.2
260.02689	1.3
263.01761	2.4
267.01184	1.0
271.02472	1.2
273.00327	2.4
275.01837	18.4
276.02560	5.2
277.03418	100.0
278.03738	3.3
285.00311	6.0
287.01990	1.1
289.03345	0.9
291.01260	1.5
299.01624	1.3
301.03314	0.8
303.01334	76.9
304.01651	3.4
321.02368	5.2
329.02744	1.2
347.04037	1.0
403.03094	1.2
429.04584	1.7
431.02530	1.6
447.05539	1.9
449.03247	4.7
459.02048	4.2
476.96585	1.1
477.03015	17.4
495.04773	1.4
513.04822	1.3
598.09253	1.1
621.06927	4.5
679.24841	0.9
941.08356	2.5
955.60999	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
65.70658	0.7
65.74516	0.8
66.19450	0.7
69.03439	4.7
70.63883	1.9
81.03416	33.2
85.02907	1.5
95.01317	3.2
97.02879	1.4
99.00813	5.0
103.05453	1.2
109.02154	0.8
109.02893	15.3
117.01864	1.7
125.02351	1.0
127.03894	1.8
137.02338	2.8
137.18294	0.8
139.03941	1.3
141.01793	1.6
145.02863	0.8
147.04382	1.7
149.02299	1.0
157.02797	0.9
161.02371	1.0
162.85886	0.7
163.03963	1.9
165.01805	4.2
167.03401	2.1
169.01422	0.9
173.02350	2.1
175.03920	1.9
177.01820	1.3
185.02293	1.9
187.03876	5.7
189.01842	1.9
191.01912	0.8
191.03426	5.2
193.01332	8.7
195.02957	1.3
201.01863	3.6
203.03369	5.2
205.01178	0.8
207.02754	0.7
211.02448	1.2
213.01817	3.4
215.03395	3.7
217.01331	3.2
219.02867	5.2
221.00804	37.1
229.01338	2.9
231.02859	18.5
239.01834	18.2
241.01323	3.9
245.00768	6.7
246.01649	1.2
247.02364	9.7
256.98398	1.1
257.00766	5.4
259.02371	29.1
260.02603	1.1
263.01837	1.4
266.79507	0.8
273.00250	5.1
273.65457	0.7
274.00992	0.8
275.01855	15.2
276.02661	4.1
277.03427	100.0
278.03836	2.7
285.00354	4.5
303.01337	51.5
304.01682	0.8
305.02713	1.0
321.02414	2.3
331.00806	1.2
422.36511	0.8
429.04202	1.1
447.05661	1.6
449.03500	12.2
459.02216	0.9
477.02994	28.1
478.03241	0.9
495.04138	3.9
520.13879	0.8
621.07227	2.5
670.35388	0.9
815.96234	0.8
877.59442	0.8
941.07990	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	2.5
67.05503	51.6
69.03413	4.5
69.07072	12.5
71.04978	3.8
73.02926	2.9
79.05492	44.0
81.03416	77.1
81.07053	53.8
83.04987	6.6
83.08624	20.9
85.02921	6.9
85.06528	1.6
91.03949	4.9
91.05479	35.6
93.06482	2.9
93.07045	43.5
95.01294	2.0
95.04962	27.0
95.08601	35.3
97.02900	5.6
97.06510	4.2
97.09634	1.4
97.10130	7.3
98.20722	3.1
99.08077	1.9
101.50983	1.2
103.12395	1.3
105.07021	25.6
107.04959	6.1
107.08585	24.2
109.06512	4.1
109.10152	18.7
111.04429	1.7
111.08076	5.7
117.07021	8.2
119.04940	1.3
119.08582	25.4
121.06474	2.7
121.10139	19.4
123.04406	3.2
123.08018	3.2
123.11707	6.8
125.09643	5.3
127.03921	2.1
129.07045	9.9
131.08556	16.3
133.06488	2.6
133.10141	12.6
135.11694	12.5
137.09593	2.8
137.13235	1.4
142.07773	4.0
142.85117	1.3
145.04964	2.6
145.10136	10.0
147.08029	2.2
147.11667	11.5
147.34657	1.3
149.09615	4.3
149.13261	6.2
149.83900	1.7
151.11163	1.2
155.08612	2.1
157.10133	7.8
159.11703	5.7
161.13264	5.0
163.06015	3.9
163.11122	2.5
163.14844	3.7
165.12788	1.7
171.11662	1.7
173.11980	1.5
173.13284	6.2
175.11186	6.5
175.14832	2.6
177.16245	1.7
183.11554	1.4
187.14827	3.3
189.11205	2.1
193.12236	21.0
201.16348	2.5
205.12222	2.0
217.15889	1.4
227.12776	7.4
235.13222	2.1
243.21199	6.3
249.14861	1.6
259.13373	2.7
261.22159	19.3
267.15906	89.9
268.16232	3.3
279.22971	1.5
285.22122	1.5
301.14346	1.7
301.25269	7.5
309.16876	5.3
315.23294	1.6
317.24820	3.7
335.25793	100.0
336.26172	4.1
417.31262	1.9
421.25888	3.0
435.27228	2.6
435.32617	6.5
453.33734	8.8
471.34604	3.8
474.75928	1.5
509.36542	2.9
527.37317	67.3
528.37677	4.9
545.38373	59.4
546.38599	3.8
559.39728	1.7
569.38507	11.1
623.39545	2.1
635.38989	3.9
671.41034	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	936.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	90.1
69.03416	8.1
69.07073	24.5
69.47874	32.3
70.06580	4.3
71.04993	7.3
73.02906	7.1
79.05067	5.3
79.05495	79.2
81.03413	72.6
81.07053	92.4
83.04986	23.3
83.08617	28.0
85.02914	45.4
85.06532	7.9
91.03947	13.8
91.05486	100.0
93.07043	84.1
95.04964	39.2
95.08606	47.1
97.02896	16.6
97.06502	17.4
97.10154	8.8
99.08101	5.8
103.05451	4.0
105.07030	70.6
107.04958	10.2
107.08597	39.8
109.02861	5.2
109.06510	9.9
109.10156	14.5
111.04447	5.1
111.08089	13.8
113.05991	5.1
113.09634	3.7
114.21354	3.2
117.07014	23.0
119.04945	4.1
119.08576	73.0
121.10130	29.8
123.08076	8.4
123.11707	4.3
125.09631	6.8
127.03933	5.9
129.05490	6.4
129.07014	18.6
131.08571	35.9
133.10139	45.8
135.08115	6.1
135.11717	15.4
137.09639	7.4
143.08545	10.2
145.10165	24.7
147.08078	9.6
147.11696	40.8
149.09618	14.5
149.13268	11.8
153.01819	8.5
157.10126	23.1
159.11696	20.9
161.13260	19.3
163.11253	4.9
169.09950	3.6
171.11652	6.8
173.13240	8.3
175.11188	14.0
175.14865	6.2
177.12785	5.6
185.13268	4.4
193.12230	43.7
195.13689	6.3
199.13203	4.1
211.13280	55.4
211.15114	3.0
227.12849	6.2
241.16083	3.4
241.19493	12.5
257.19131	7.6
259.20593	34.2
267.15915	28.0
269.17383	18.4
275.20074	19.1
283.15356	4.6
285.16940	44.4
291.19757	6.1
301.16422	14.1
312.67697	4.3
315.23294	5.0
333.24216	28.3
349.23587	9.9
451.31763	4.9
461.28857	10.8
479.30222	25.7
525.35779	15.3
543.37000	38.9
559.36145	12.7
577.37659	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	936.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03911	4.4
67.05504	85.2
69.03423	13.5
69.07072	35.2
71.04979	8.6
71.58396	4.7
73.02892	3.8
78.05634	2.3
79.05492	61.6
81.03417	25.5
81.07054	100.0
83.04979	11.7
83.08612	21.0
85.02912	19.8
85.06536	4.2
86.09703	3.0
91.03949	7.4
91.05478	55.0
93.07048	68.7
95.04967	14.3
95.08047	4.0
95.08611	38.6
97.02885	14.8
97.06538	18.0
97.10166	8.1
99.08058	3.4
105.07021	31.5
106.70719	2.5
107.04946	9.6
107.08600	38.7
109.02821	4.3
109.06493	3.4
109.10152	33.6
111.04436	3.7
111.08067	8.6
117.07013	14.7
119.08575	18.1
121.06474	6.1
121.10152	20.1
123.08049	7.2
123.11699	8.2
125.09614	7.9
127.03908	8.2
129.07004	5.4
131.08589	16.0
133.10138	32.6
135.08035	4.7
135.11697	20.2
137.09598	9.1
143.08556	3.5
145.04939	5.0
145.10107	12.6
147.08058	3.2
147.11665	10.3
149.09625	19.1
149.13252	19.5
151.11192	6.7
153.01826	4.0
155.08447	2.3
155.10687	3.2
157.10100	5.9
159.08058	2.9
159.11703	15.6
161.13326	3.2
163.11125	5.6
165.12712	3.6
169.10060	2.6
171.11659	2.7
173.11742	7.7
175.11162	4.0
177.12714	7.7
183.11652	2.9
187.13148	2.5
189.11215	3.1
193.12302	3.9
195.12183	3.3
195.13799	26.4
211.13206	3.1
213.14806	3.3
223.13300	2.9
227.12778	7.4
229.14267	14.0
229.19391	2.5
243.15906	7.9
253.14337	2.8
255.15874	8.0
257.19052	3.8
267.15958	7.1
269.17471	64.9
273.18405	5.9
275.20099	18.0
285.17007	5.5
291.19522	12.3
299.15030	3.5
337.24136	2.2
349.23682	22.4
365.23087	12.3
365.26990	3.1
373.18500	7.0
383.27707	2.6
409.25549	2.5
423.27399	45.2
424.27786	4.0
437.28931	11.1
449.29044	7.3
461.28613	3.8
463.30429	4.8
479.29507	2.7
543.36768	30.2
559.36133	5.8
561.38013	4.8
567.31305	8.3
937.45099	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	936.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	90.1
69.03416	8.1
69.07073	24.5
69.47874	32.3
70.06580	4.3
71.04993	7.3
73.02906	7.1
79.05067	5.3
79.05495	79.2
81.03413	72.6
81.07053	92.4
83.04986	23.3
83.08617	28.0
85.02914	45.4
85.06532	7.9
91.03947	13.8
91.05486	100.0
93.07043	84.1
95.04964	39.2
95.08606	47.1
97.02896	16.6
97.06502	17.4
97.10154	8.8
99.08101	5.8
103.05451	4.0
105.07030	70.6
107.04958	10.2
107.08597	39.8
109.02861	5.2
109.06510	9.9
109.10156	14.5
111.04447	5.1
111.08089	13.8
113.05991	5.1
113.09634	3.7
114.21354	3.2
117.07014	23.0
119.04945	4.1
119.08576	73.0
121.10130	29.8
123.08076	8.4
123.11707	4.3
125.09631	6.8
127.03933	5.9
129.05490	6.4
129.07014	18.6
131.08571	35.9
133.10139	45.8
135.08115	6.1
135.11717	15.4
137.09639	7.4
143.08545	10.2
145.10165	24.7
147.08078	9.6
147.11696	40.8
149.09618	14.5
149.13268	11.8
153.01819	8.5
157.10126	23.1
159.11696	20.9
161.13260	19.3
163.11253	4.9
169.09950	3.6
171.11652	6.8
173.13240	8.3
175.11188	14.0
175.14865	6.2
177.12785	5.6
185.13268	4.4
193.12230	43.7
195.13689	6.3
199.13203	4.1
211.13280	55.4
211.15114	3.0
227.12849	6.2
241.16083	3.4
241.19493	12.5
257.19131	7.6
259.20593	34.2
267.15915	28.0
269.17383	18.4
275.20074	19.1
283.15356	4.6
285.16940	44.4
291.19757	6.1
301.16422	14.1
312.67697	4.3
315.23294	5.0
333.24216	28.3
349.23587	9.9
451.31763	4.9
461.28857	10.8
479.30222	25.7
525.35779	15.3
543.37000	38.9
559.36145	12.7
577.37659	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	935.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03074	0.3
69.03428	4.5
69.03802	0.2
70.88194	0.4
71.04960	0.2
79.01846	9.5
79.05488	0.3
81.03411	7.0
83.01353	0.3
85.02894	0.6
91.05482	0.3
95.01299	0.2
97.02887	2.6
99.04427	0.4
101.45240	0.2
107.01299	1.6
107.04943	0.3
109.02869	3.9
117.03402	0.3
119.04937	0.2
123.00789	0.4
125.02336	5.2
127.03925	1.5
131.04965	0.2
133.02843	0.4
135.04292	0.2
143.03383	10.7
147.04387	0.5
153.01817	100.0
153.02815	4.0
154.02171	0.7
157.02895	0.3
161.02332	0.8
163.03922	1.9
165.01871	0.2
173.02368	0.6
175.03880	0.7
177.01823	0.2
179.03421	0.5
180.98972	0.2
183.41582	0.2
185.02284	0.2
187.03920	0.6
189.01874	1.1
191.03384	1.8
197.44963	0.2
201.01752	1.1
202.02586	0.3
203.03352	1.1
207.02921	1.4
213.01793	0.5
215.03383	0.8
217.01326	2.5
218.02036	0.6
219.02884	2.5
221.00896	0.4
221.04399	0.3
229.01343	0.9
230.01997	0.2
231.02875	3.0
235.02338	3.1
236.02777	0.3
239.01837	0.3
241.01271	0.6
245.00783	2.5
247.02354	3.3
257.00781	2.4
259.02368	5.4
261.03922	0.3
263.01862	1.2
273.00317	2.3
275.01843	3.5
276.02600	1.3
277.03406	14.0
285.00281	2.4
291.01263	0.7
300.99701	0.9
302.00577	0.4
303.01321	27.8
304.01816	0.3
305.02701	0.4
319.00784	1.6
321.02289	0.7
337.01855	8.4
401.04999	0.3
407.02283	0.4
429.04373	1.3
445.03876	0.3
455.02304	1.4
463.05011	3.0
473.03275	0.4
481.05933	0.7
668.94928	0.2
783.06677	4.7
878.92822	0.2
935.07513	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	6.4
67.05502	88.3
67.73891	1.6
69.03432	12.3
69.07064	39.1
71.01356	2.0
71.04991	10.6
73.02914	5.0
79.05492	92.9
79.05963	4.4
81.03415	98.0
81.07051	100.0
83.04975	31.3
83.08611	44.7
85.02433	2.7
85.02905	44.7
85.06519	6.8
91.03944	7.8
91.05476	91.7
93.03400	2.3
93.07043	73.4
95.04964	47.4
95.08602	43.3
97.02884	16.6
97.06528	23.4
97.10168	22.1
98.20748	2.8
99.04416	2.6
99.08091	4.7
103.05459	3.0
105.04550	2.4
105.07026	74.2
107.04942	24.0
107.08590	51.7
109.02879	4.6
109.06514	15.6
109.10148	18.3
111.04448	4.9
111.08057	15.6
113.05990	4.7
115.05437	5.8
117.07020	16.9
119.08581	52.2
119.09286	1.4
121.06509	7.3
121.10136	24.4
123.08060	6.1
123.11716	6.8
125.09628	17.6
127.03934	9.0
128.06166	1.7
129.07010	22.7
131.08563	35.4
133.06476	8.3
133.10120	41.8
135.08018	7.1
135.11697	15.6
137.09605	7.7
141.06975	2.7
142.07768	5.7
143.08574	5.3
144.09282	1.7
145.04929	2.9
145.06422	2.3
145.10123	21.2
147.08037	6.0
147.11687	34.3
149.09619	28.2
149.13232	9.1
149.79129	2.4
151.11163	4.2
153.01781	1.8
155.08498	3.2
157.10123	24.0
159.08073	2.9
159.11685	14.8
161.09560	2.1
161.13232	5.0
163.11145	10.3
165.09003	1.8
165.12732	5.0
169.10117	4.0
171.11716	3.5
173.04437	3.3
173.13277	8.1
175.11160	22.1
177.12709	3.7
179.14333	2.2
182.82060	1.7
183.08170	2.0
183.11731	4.4
185.13318	2.1
189.11217	8.1
189.12708	2.3
193.12236	57.3
195.13832	3.8
197.13202	2.8
211.13283	75.2
227.12756	24.8
229.14281	2.6
229.19485	2.4
239.18036	4.1
245.13759	1.8
249.14865	2.3
255.15842	5.7
257.19022	9.9
259.13556	1.9
267.15906	37.5
269.17487	19.7
275.17264	3.4
275.20078	45.2
275.22922	1.5
279.15942	2.0
285.16943	79.5
293.21097	5.5
331.22696	2.7
349.23712	46.7
367.25070	2.6
437.25006	4.9
439.26907	6.5
443.27997	2.0
447.27451	9.1
449.30859	2.8
455.26242	4.7
461.28897	25.0
463.30576	3.6
465.28406	11.9
479.23495	3.5
479.30051	61.9
480.30328	3.0
538.34595	2.2
541.35236	32.8
559.36285	73.5
560.36151	3.0
577.37225	9.4
623.34113	4.9
721.41229	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	935.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99769	0.3
69.03430	5.9
73.76426	0.3
79.01849	8.1
79.05478	0.5
81.03416	10.0
83.01308	0.4
83.31781	0.3
85.02863	0.6
91.05513	0.4
97.02875	3.2
99.04453	0.6
103.05448	0.3
107.01308	1.7
109.02885	4.9
117.03333	0.3
125.02348	4.8
127.03911	2.6
129.03339	0.3
133.02855	0.9
135.04416	0.5
143.03394	10.7
145.02866	0.6
147.04408	0.9
151.03928	0.3
153.01826	100.0
153.02824	4.3
154.02174	1.3
161.02321	0.7
163.03900	2.3
173.02353	0.7
179.03401	0.9
187.03912	1.0
189.01801	1.9
190.02621	0.4
191.03426	2.8
193.01338	0.6
198.09909	0.3
201.01805	2.1
203.03418	1.3
207.02843	2.0
213.01875	1.0
215.03372	1.0
217.01329	3.2
218.01967	0.7
219.02872	3.8
219.04663	0.4
221.00775	0.6
229.01425	1.7
231.02866	4.4
235.02351	4.5
241.01245	0.7
245.00766	2.9
247.02399	4.0
257.00769	3.0
259.02371	8.0
263.01901	1.8
273.00400	2.7
275.01874	6.2
276.02551	1.4
277.03421	19.8
278.03659	0.4
285.00339	2.2
291.01428	1.3
300.99826	1.1
302.00732	0.4
303.01340	32.7
304.01804	0.7
305.02905	0.4
319.00858	2.9
321.02509	1.1
331.00980	0.4
337.01910	12.5
338.02292	0.3
374.20416	0.3
385.80310	0.3
407.02368	0.4
417.04654	0.4
429.04388	2.2
444.21954	0.3
445.04236	0.6
447.05600	0.3
455.02466	3.5
463.05069	3.4
473.03735	0.3
481.06134	0.8
553.18866	0.4
783.06653	6.4
935.08167	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	46.5
69.03419	7.6
69.07069	12.4
71.04993	6.9
71.58886	2.7
73.02903	2.0
77.44716	1.6
79.05017	1.8
79.05487	40.3
81.03417	44.0
81.07050	56.5
83.04976	15.8
83.08615	15.5
85.02905	14.3
85.06541	6.0
91.03948	1.9
91.05481	62.1
93.07037	36.5
95.04964	25.6
95.08596	20.8
97.02890	7.6
97.06525	7.6
97.10186	4.6
105.07026	49.2
107.04966	15.2
107.08591	29.9
109.06529	7.2
109.10148	40.3
111.04485	2.3
111.08065	6.4
113.05997	2.7
117.06991	9.8
119.08593	19.7
121.06503	6.5
121.09334	1.8
121.10119	9.6
123.08096	6.3
123.11706	6.8
125.09650	3.3
127.07552	5.1
128.06236	2.9
128.14195	1.8
129.07007	9.4
131.08568	16.3
133.06503	5.9
133.10124	59.4
135.08034	7.1
135.11697	3.9
137.09637	3.3
142.07791	2.8
143.08546	5.9
145.04980	1.8
145.10121	9.1
147.08035	4.6
147.11690	11.8
149.09615	10.3
149.13284	2.0
151.11189	19.8
153.01826	5.1
157.10132	13.5
159.08058	2.7
159.11691	4.0
161.09622	5.5
163.11226	3.0
165.12816	3.6
169.12236	5.3
171.11700	3.2
175.11206	12.2
177.09027	1.9
179.10680	2.6
183.11632	1.8
185.13281	3.0
189.11206	2.4
191.10909	1.7
193.12222	24.0
211.13269	37.8
215.12859	3.8
227.17877	2.1
245.19054	3.8
251.12727	2.6
253.14345	100.0
263.20093	2.7
267.15915	12.6
271.15347	2.6
273.18494	23.0
283.15363	4.2
285.16998	25.4
288.60306	1.7
291.19516	30.4
347.22159	11.7
365.23236	30.2
445.25748	4.2
463.26776	15.4
477.28207	2.3
481.27847	7.8
483.30997	2.1
515.63354	2.0
539.33759	8.6
557.34698	23.9
575.35718	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
64.87614	1.3
65.03936	3.0
67.05502	50.8
68.28878	1.4
69.03425	14.3
69.06716	2.4
69.07065	26.5
69.79258	3.3
69.79670	6.0
71.04987	6.5
73.02905	3.3
73.38958	1.2
79.05489	50.2
81.03414	59.9
81.07051	52.7
83.01324	1.5
83.04984	20.8
83.08617	25.1
85.02896	29.4
85.06532	3.5
91.03947	4.3
91.05475	48.9
93.07040	42.3
93.07629	2.3
94.85751	1.3
95.04964	29.7
95.08603	21.6
97.02889	16.8
97.06504	10.2
97.10180	15.7
98.21437	2.6
99.04467	2.2
99.08067	1.9
103.05410	1.6
105.07021	41.8
106.13817	1.4
107.04931	13.1
107.08591	27.3
109.02877	1.7
109.06506	8.3
109.10158	14.0
111.04443	4.7
111.08086	9.0
113.05983	2.7
115.05448	2.4
117.07008	12.4
119.04899	2.1
119.08572	32.7
121.06475	8.1
121.10126	14.9
123.08060	8.1
123.11720	2.9
125.09615	14.4
127.03854	2.5
128.06238	1.7
129.06989	15.3
131.08568	25.4
133.06487	6.3
133.10127	27.4
135.08049	7.7
135.11673	8.1
137.09612	4.7
142.07784	3.4
143.08565	6.0
145.10103	13.7
147.08063	9.9
147.11655	19.4
149.09619	7.1
149.13242	4.9
151.11169	4.9
153.01801	3.3
153.09094	1.7
155.08537	2.1
157.10117	15.9
159.11691	4.7
161.09615	3.2
161.13242	2.3
162.10449	2.0
163.11191	9.2
165.09099	1.9
165.12798	1.6
169.12273	2.7
171.11690	2.7
173.09502	1.5
173.13293	1.7
175.11166	14.6
177.09116	1.6
177.12663	2.4
181.09985	1.7
189.11179	6.1
191.10637	2.2
193.12241	38.2
195.13885	1.9
205.12271	1.9
211.13268	53.6
219.13780	2.4
223.13266	19.2
227.12804	9.4
245.18919	3.0
249.14836	3.9
253.14352	9.5
257.19067	2.6
267.15915	41.1
269.17520	3.4
273.18451	19.9
275.19992	6.1
283.15384	15.8
285.16928	50.0
286.17334	1.6
291.19531	100.0
347.22205	5.7
349.23636	4.6
350.49225	1.5
359.01498	1.5
365.23178	52.9
437.25296	3.8
445.26218	2.4
452.11884	1.5
459.27136	2.5
463.27032	4.2
477.28470	22.7
495.29294	4.3
539.33490	5.3
557.34698	71.5
558.35364	2.6
575.35767	87.8
576.36469	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	934.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	5.8
66.37525	2.1
67.05507	65.0
69.03413	9.1
69.07059	19.2
69.53796	4.3
69.54207	14.9
71.04981	8.8
73.02917	3.9
76.64567	2.1
79.05493	57.7
79.13520	2.0
81.02936	2.4
81.03420	61.2
81.07054	80.1
83.04980	25.3
83.08613	24.8
85.02912	24.0
85.06538	9.0
91.03950	4.8
91.05476	80.7
92.81225	2.1
93.07040	56.2
95.04970	36.2
95.08053	2.8
95.08605	28.0
97.02887	9.5
97.06533	10.7
97.10146	4.9
99.04440	3.7
99.08054	3.4
101.06036	2.4
105.07035	58.2
107.04932	14.5
107.08591	46.1
109.02854	3.7
109.06502	10.8
109.10168	44.5
111.04431	4.4
111.08075	10.2
113.06014	3.1
115.05455	2.3
117.07025	9.2
119.04938	2.9
119.08578	27.3
121.06510	8.1
121.10149	16.6
123.08055	7.4
123.11732	10.3
125.09613	4.6
127.07516	3.2
129.06982	14.4
131.08562	26.4
133.06490	6.7
133.10127	79.3
135.08057	9.8
135.11665	5.3
137.09578	4.6
142.07799	4.8
143.08510	5.4
145.10149	10.6
147.08040	7.1
147.11687	17.6
149.09604	13.7
151.11197	32.2
153.01801	6.8
155.08578	3.0
157.10132	17.1
159.11658	4.8
161.09639	7.5
163.11185	5.7
165.12761	3.2
169.12262	7.5
172.12167	2.0
175.11166	15.5
177.09096	3.5
179.10626	2.1
183.11673	3.2
193.12233	37.3
205.85843	2.2
208.80151	2.1
211.13280	62.1
212.13658	2.3
215.12668	3.0
237.11221	2.7
245.18939	4.7
251.12785	2.6
253.03444	2.5
253.14345	100.0
263.20145	2.5
267.15906	24.3
271.15344	4.3
273.18521	28.6
285.14032	4.3
285.16980	59.9
291.19534	30.2
347.22208	15.0
365.23257	35.7
445.26025	2.4
463.26816	22.9
481.28021	32.4
539.33160	3.8
557.34729	35.6
575.35718	79.4
955.55206	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	933.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	1.2
67.05503	15.5
69.03426	9.5
69.07073	7.2
70.26116	3.6
71.04977	1.4
73.02917	8.8
79.05485	11.2
81.03414	4.9
81.07051	13.8
83.04966	1.1
83.08599	3.9
85.02902	24.1
86.80779	0.9
91.03963	10.2
91.05478	9.4
93.07039	11.1
95.04950	2.2
95.08610	12.2
97.02890	18.0
97.06536	1.0
97.10176	1.9
99.04426	1.7
101.02356	2.9
103.05441	1.0
105.07015	6.6
107.04951	2.1
107.08598	8.6
109.02869	1.6
109.10143	5.6
111.08049	1.0
115.03901	2.4
115.05453	1.5
117.07008	4.5
119.08575	10.7
121.10136	5.0
123.08096	1.4
123.11646	1.5
124.89638	0.9
127.03918	5.3
128.06226	1.8
129.07002	5.3
131.08594	7.4
133.10147	6.4
135.11697	3.0
141.06979	4.2
142.07767	2.3
143.08540	8.1
145.04947	4.0
145.10117	7.1
147.11646	4.3
152.06187	1.0
155.08557	8.5
157.10127	8.6
159.11674	5.2
161.13235	2.6
167.08559	3.7
169.10114	7.3
171.11658	6.8
173.13220	3.0
175.14847	1.2
177.25555	1.0
179.08607	2.0
181.10143	5.4
183.11703	9.3
185.13226	4.9
187.14763	2.9
193.10159	2.5
193.12173	0.8
195.11690	3.8
197.13240	7.7
199.14845	4.4
205.10127	1.0
207.11668	2.6
209.13321	4.9
209.63252	0.9
211.14850	3.8
213.16328	1.6
219.11662	1.6
221.13289	2.1
223.14859	3.3
225.16388	3.3
235.14792	2.6
237.16360	1.3
239.18173	1.3
249.16280	1.4
251.17899	2.5
267.21155	1.1
299.20062	1.1
335.25928	1.4
363.26669	1.2
473.32611	1.7
515.37854	1.2
517.40259	3.8
535.41339	1.7
539.37677	1.3
574.41699	1.8
591.44019	3.4
607.43506	2.0
609.45093	100.0
610.45221	5.7
621.44543	1.6
651.45605	1.3
699.45837	1.2
717.46930	2.7
735.47784	2.8
753.48865	3.3
771.50323	25.1
933.55829	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	932.5583
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	4.5
65.35084	3.5
67.05180	4.3
67.05505	59.9
69.03415	5.4
69.07064	21.9
70.29433	2.8
71.04983	5.4
71.58574	4.2
73.02907	3.7
79.05491	47.1
81.03415	33.0
81.07052	60.3
83.04972	7.3
83.08604	10.9
85.02906	17.6
85.06557	3.7
91.03941	7.3
91.05476	37.1
93.07030	49.8
95.04952	12.9
95.08601	49.8
97.02839	5.3
97.06509	5.7
97.10174	5.0
97.13625	3.4
98.01327	3.6
105.07016	19.7
105.22079	3.6
107.04950	5.2
107.08565	22.5
109.06503	4.9
109.10154	18.0
117.06989	8.3
119.08578	25.3
121.06478	8.1
121.10130	21.1
123.08083	3.4
123.11666	4.9
129.07005	5.2
131.08562	14.3
133.10126	16.8
135.08037	4.7
135.11690	10.3
137.09625	4.7
142.18146	3.2
143.08534	5.8
145.10118	5.4
147.11729	4.7
149.13235	4.8
161.13208	5.4
161.16571	3.2
161.26706	3.5
173.13213	5.1
175.14810	5.5
185.13187	6.5
203.14369	4.1
221.15367	38.7
239.16400	37.6
252.15959	10.6
261.22119	11.3
313.16531	5.3
313.19965	32.4
335.25787	99.3
527.37268	4.7
555.39935	13.3
573.41614	100.0
574.41919	6.3
608.44189	7.5
961.89441	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	925.4765
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	3.9
69.03426	4.0
69.07074	1.1
69.86922	0.9
71.58629	1.5
73.02920	3.8
79.05506	2.9
80.06841	1.1
81.03426	2.5
81.07057	3.2
83.04949	1.4
85.02924	6.5
89.62570	0.9
90.26218	0.9
91.03957	4.1
91.05502	1.9
93.07032	3.5
95.01092	1.8
95.08629	1.9
97.02890	4.0
99.04453	1.2
101.02396	1.9
103.03907	1.0
105.06997	1.3
107.08604	2.3
109.02902	1.1
109.10152	1.1
119.08513	1.2
121.10156	1.2
125.02109	0.9
127.03867	2.7
129.05502	2.4
141.05235	1.4
185.04315	2.8
201.03775	3.5
203.05344	3.6
243.08531	2.2
257.06393	1.9
259.08014	2.0
301.08887	6.3
315.10333	1.3
319.10052	2.4
329.08536	1.9
347.09396	14.9
347.13086	1.1
355.13687	1.4
357.14969	1.1
363.08978	7.1
369.15326	1.3
385.18512	3.1
405.13638	7.1
463.14172	12.3
477.15997	3.6
517.19257	1.7
519.21606	1.6
519.29559	5.0
531.20776	1.6
533.21851	1.2
535.16534	5.3
545.22272	1.9
547.23273	10.2
577.29944	1.8
591.22510	1.5
631.25964	2.7
631.63300	1.0
661.39032	2.3
671.28802	2.9
681.34454	13.3
697.34979	1.3
740.35797	10.4
753.36829	7.0
781.39648	3.6
795.40479	1.6
823.44366	7.9
824.45056	5.9
863.47180	1.4
865.45233	1.4
907.46539	3.9
908.46680	1.3
925.47449	100.0
926.48248	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	925.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	3.5
69.03427	4.2
71.57928	1.9
71.58308	1.4
73.02916	3.9
75.36678	1.1
76.06100	1.0
79.05495	3.2
81.03403	1.3
81.07064	2.5
85.02918	7.9
85.03355	1.3
91.03962	4.3
91.05475	1.6
93.07056	2.3
95.08613	2.6
97.02891	6.0
101.02382	2.1
107.08594	1.6
121.10191	1.4
125.02096	1.6
127.03931	3.1
146.34962	1.2
147.38618	1.1
157.04790	1.5
169.04756	1.3
183.90790	1.2
185.04236	4.3
201.03694	5.5
203.05342	2.8
219.90024	1.1
226.92282	1.1
257.06458	3.3
299.07339	1.2
301.09021	6.3
319.10193	3.0
347.09485	14.0
363.08942	6.4
365.10870	2.6
366.16672	1.3
385.18170	2.5
405.13596	10.6
463.14264	11.1
474.84351	1.2
477.16135	4.7
517.19672	1.4
519.29370	4.8
535.16547	4.9
545.22211	2.4
547.23834	7.8
549.18097	1.7
577.21228	1.2
577.29755	2.0
591.22821	2.7
631.25806	3.9
657.25702	1.3
662.70526	1.2
671.28900	2.1
681.34521	12.7
697.33197	1.9
740.35742	11.6
748.73993	1.3
753.36603	5.7
755.38000	1.5
767.38794	2.5
772.34448	1.4
781.40051	4.0
795.40906	1.6
823.44159	8.2
824.45734	5.6
825.64746	1.5
841.45526	1.8
863.47552	1.7
865.45935	1.9
879.47083	1.5
907.46899	4.5
925.47534	100.0
926.47485	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	921.135
Annotation	Unknow
Peak:m/z	Relative Intensity
66.14108	0.1
68.99773	0.2
69.03412	0.2
76.29161	0.1
79.01402	0.3
79.01849	4.9
79.21284	0.1
80.18020	0.2
81.03411	0.5
97.02879	1.3
98.20723	0.4
107.01317	1.1
107.41858	0.1
109.02882	0.6
123.00809	0.1
125.02335	3.4
125.03265	0.2
127.03909	3.1
135.04446	0.2
143.03389	7.7
153.01820	100.0
153.02789	3.5
154.02139	1.0
161.76482	0.1
163.03922	1.3
165.01843	0.2
165.05333	0.1
168.07625	0.1
171.02899	0.7
191.03401	2.2
207.02831	0.2
209.04492	0.8
213.03941	0.9
215.03307	0.3
219.02875	0.4
233.04520	0.3
237.03928	6.4
261.03879	0.8
279.04980	1.5
297.05923	1.2
303.04996	3.5
449.07126	2.9
467.08270	0.2
619.08881	0.5
764.29999	0.2
919.99628	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	35.9
68.25952	1.1
69.03416	3.7
69.07056	9.9
71.04988	6.5
71.58659	1.6
73.02915	2.8
79.05487	19.2
81.02984	1.9
81.03413	20.5
81.07050	41.7
83.04971	6.2
83.08610	13.5
85.02893	13.2
85.06524	2.5
87.63268	1.2
91.03946	4.6
91.05470	15.9
93.07039	17.6
95.04952	8.6
95.08604	21.3
96.85426	1.5
97.02872	4.9
97.06518	2.9
97.10149	2.9
105.07038	13.9
107.04921	1.9
107.08578	9.2
109.06523	2.1
109.10147	11.4
111.08084	4.6
117.07012	2.2
119.08572	9.9
121.10146	9.4
123.08071	1.5
123.11700	6.7
125.09637	2.1
129.07005	3.1
130.19508	1.3
131.08566	5.1
133.10117	9.6
135.11713	5.1
137.09639	1.6
145.05016	1.3
147.11652	7.0
149.09544	1.3
149.13254	2.6
151.11205	1.6
157.10147	4.6
161.13252	2.8
175.11192	5.7
193.12227	13.9
211.13286	20.4
229.14427	1.7
232.25969	1.3
249.30383	1.6
256.71872	1.5
267.15881	7.6
269.17456	2.2
277.25424	1.9
283.15338	1.5
285.16980	25.9
301.20151	4.5
335.25848	7.6
351.28897	42.9
352.29196	1.6
385.52023	1.7
487.37885	1.7
503.30377	2.2
503.37234	20.8
517.38892	1.9
529.38959	4.6
543.40399	10.8
561.41486	100.0
562.41718	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	920.5564
Annotation	Unknow
Peak:m/z	Relative Intensity
64.82273	0.9
65.03931	3.1
67.05496	60.1
69.03413	2.9
69.07062	9.1
71.04987	19.7
73.02895	3.7
73.52767	1.0
77.12579	1.0
79.05483	33.0
80.51318	1.0
81.03401	3.9
81.07046	86.9
83.04961	4.6
83.08606	9.1
85.02892	12.4
85.06543	6.2
85.62173	1.0
91.03956	5.3
91.05467	24.8
93.07033	40.8
95.04947	6.4
95.08598	28.8
97.02896	6.5
97.06510	3.9
97.10141	2.0
99.08069	1.7
105.07011	17.8
107.08580	22.8
108.27695	1.0
109.06501	1.8
109.10143	13.0
111.08077	3.4
112.59288	0.9
113.05974	1.1
117.06998	6.9
119.08573	10.6
121.10133	17.0
123.08083	1.2
123.11692	14.3
125.09556	1.1
127.03905	2.4
131.08572	10.0
133.10123	17.6
135.11688	10.4
145.04907	3.0
145.10100	4.4
147.11681	4.8
149.13232	6.0
151.11136	5.2
153.12721	1.0
157.10133	1.6
159.11713	6.5
159.60773	1.0
161.13252	2.7
163.06029	3.9
169.12292	1.1
171.11612	1.7
173.13239	3.3
175.14764	1.6
177.12759	1.8
183.13812	2.2
185.13182	1.1
187.13237	3.6
193.12160	2.3
195.13635	1.6
211.13254	2.8
227.16316	2.4
229.24316	1.1
253.18062	1.5
257.17456	2.4
259.20560	1.3
261.22098	2.3
268.70895	1.0
269.17383	6.0
285.16922	3.9
301.20010	20.9
315.22925	1.1
335.25784	18.5
351.29004	2.4
411.32730	1.1
437.33978	2.3
485.36139	3.5
503.37259	82.4
504.37512	5.5
511.37531	3.2
517.38879	2.7
529.38739	26.2
530.39081	1.6
561.41449	100.0
562.41846	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	920.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	2.8
67.05506	66.5
69.03404	2.9
69.07070	10.3
69.69118	4.9
71.04995	21.1
73.02918	3.8
79.05495	40.3
79.05967	1.4
81.03410	4.3
81.07057	94.3
83.04964	5.1
83.08616	7.3
85.02904	11.6
85.06535	7.0
87.04467	1.1
91.03948	8.1
91.04897	1.2
91.05481	28.3
93.07044	41.3
95.04964	6.2
95.08609	28.0
96.04512	1.0
97.02866	7.3
97.06525	6.1
97.10136	3.2
99.08057	1.7
103.03906	0.9
105.04494	1.2
105.07034	18.8
107.04951	1.5
107.08595	25.5
109.06550	3.2
109.10160	16.6
111.08059	2.8
117.07013	8.7
119.08585	10.6
121.10137	18.2
123.08054	1.6
123.11720	12.3
123.62128	0.8
125.09680	2.0
127.03883	2.3
129.06976	1.3
131.08542	10.3
133.10132	19.7
135.11697	12.2
141.08090	1.3
143.08487	1.6
145.04938	2.4
145.10121	8.1
147.11684	5.7
149.13216	6.6
149.29236	0.9
151.11177	6.0
153.12733	1.4
159.11679	6.7
161.13271	3.7
163.06000	3.9
163.14832	1.3
169.12192	1.3
171.11676	2.4
173.13226	3.3
175.14795	1.3
177.12819	1.8
183.13789	3.2
185.13268	1.1
186.55215	0.9
187.13269	3.4
187.14873	1.9
193.12190	1.2
195.13821	2.1
211.13213	1.2
218.92099	1.1
227.16405	3.0
243.15959	1.3
253.17905	1.7
256.25519	1.1
257.17438	3.2
261.22153	3.0
267.15970	1.2
269.17319	5.9
285.17007	2.8
299.23697	1.2
301.16830	1.4
301.20102	21.1
335.25729	21.3
351.29150	1.1
363.25043	1.0
389.81277	1.0
411.32358	1.3
429.33566	1.1
437.34006	2.4
445.24435	1.6
485.36014	3.4
493.36063	1.5
503.37317	79.8
504.37674	5.3
511.37607	2.1
512.37384	1.0
517.38739	5.1
529.38928	29.1
530.38910	1.9
547.40021	1.2
561.41510	100.0
562.41925	4.8
919.38806	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
64.12655	4.0
67.05505	60.7
67.19737	4.6
69.03416	10.6
69.07058	19.7
70.06572	6.3
71.04990	8.9
71.58179	7.5
79.05488	62.7
79.56361	4.0
81.03409	46.3
81.07047	62.5
83.04971	14.3
83.08618	18.9
85.02891	29.5
91.03955	9.1
91.04965	7.1
91.05478	68.4
93.07034	70.8
95.04957	22.0
95.08603	37.9
97.02894	10.6
97.06529	8.7
97.10169	13.3
98.59198	4.4
105.07025	74.4
107.04951	11.9
107.08603	29.0
109.06503	10.4
109.10141	10.4
111.08087	8.7
117.06999	21.2
119.08577	64.6
121.10146	28.7
123.08095	5.9
123.11743	6.1
125.09650	7.2
129.06984	20.3
131.08551	36.5
133.06467	5.3
133.10120	51.9
135.11671	20.6
143.08554	8.9
145.10129	20.8
147.11682	41.9
149.09634	7.6
149.13232	16.2
153.01801	9.4
157.10141	18.8
159.11693	20.1
161.13252	20.9
163.11168	6.0
167.49289	4.1
171.11687	10.7
173.13274	11.8
175.11212	12.5
175.14836	8.4
185.13235	6.9
187.14751	4.7
193.12218	26.1
199.14847	10.3
200.43330	4.1
211.13271	34.6
213.16391	4.7
227.12675	7.5
231.21045	7.5
241.19589	23.3
251.83316	4.8
256.11240	4.9
257.18948	5.0
259.20578	74.1
260.20972	5.1
267.15939	15.2
269.17429	15.6
283.15494	6.4
285.16928	37.8
315.23193	9.2
333.24216	59.5
335.25754	6.8
433.30884	7.2
439.26465	5.3
451.32004	13.0
463.30688	6.6
499.96042	5.9
515.36664	5.1
525.35748	33.6
543.36761	100.0
544.37189	9.8
561.37866	7.9
596.41284	6.6
769.18787	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	920.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
64.12655	4.0
67.05505	60.7
67.19737	4.6
69.03416	10.6
69.07058	19.7
70.06572	6.3
71.04990	8.9
71.58179	7.5
79.05488	62.7
79.56361	4.0
81.03409	46.3
81.07047	62.5
83.04971	14.3
83.08618	18.9
85.02891	29.5
91.03955	9.1
91.04965	7.1
91.05478	68.4
93.07034	70.8
95.04957	22.0
95.08603	37.9
97.02894	10.6
97.06529	8.7
97.10169	13.3
98.59198	4.4
105.07025	74.4
107.04951	11.9
107.08603	29.0
109.06503	10.4
109.10141	10.4
111.08087	8.7
117.06999	21.2
119.08577	64.6
121.10146	28.7
123.08095	5.9
123.11743	6.1
125.09650	7.2
129.06984	20.3
131.08551	36.5
133.06467	5.3
133.10120	51.9
135.11671	20.6
143.08554	8.9
145.10129	20.8
147.11682	41.9
149.09634	7.6
149.13232	16.2
153.01801	9.4
157.10141	18.8
159.11693	20.1
161.13252	20.9
163.11168	6.0
167.49289	4.1
171.11687	10.7
173.13274	11.8
175.11212	12.5
175.14836	8.4
185.13235	6.9
187.14751	4.7
193.12218	26.1
199.14847	10.3
200.43330	4.1
211.13271	34.6
213.16391	4.7
227.12675	7.5
231.21045	7.5
241.19589	23.3
251.83316	4.8
256.11240	4.9
257.18948	5.0
259.20578	74.1
260.20972	5.1
267.15939	15.2
269.17429	15.6
283.15494	6.4
285.16928	37.8
315.23193	9.2
333.24216	59.5
335.25754	6.8
433.30884	7.2
439.26465	5.3
451.32004	13.0
463.30688	6.6
499.96042	5.9
515.36664	5.1
525.35748	33.6
543.36761	100.0
544.37189	9.8
561.37866	7.9
596.41284	6.6
769.18787	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	920.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	7.5
67.05505	73.7
69.03416	6.0
69.07056	17.0
70.25346	17.6
71.05002	8.1
73.02911	8.9
79.05492	56.7
81.03416	17.1
81.07052	68.2
83.04977	13.0
83.08604	17.6
85.02898	24.9
91.03951	6.9
91.05493	39.3
93.07047	64.8
95.05000	17.9
95.08611	51.7
97.02904	15.8
97.06545	5.9
97.10168	13.0
99.08033	4.3
101.69421	3.5
105.07030	30.1
107.04939	4.5
107.08609	37.8
109.06488	5.3
109.10147	28.9
111.08059	9.1
116.04710	7.0
117.07011	11.7
119.08576	30.0
121.10145	26.8
123.08078	8.6
123.11694	10.7
125.09647	16.6
125.98134	3.5
127.03949	5.1
129.05486	23.0
129.06996	8.5
131.08557	21.3
133.10144	21.6
135.11717	18.2
137.09581	5.0
143.07098	5.6
145.10124	17.5
147.11711	12.7
149.13232	10.0
157.08630	13.3
157.10086	8.0
159.11729	10.9
161.13254	7.9
163.06007	4.3
163.11131	6.2
163.14795	4.9
169.10161	4.0
171.11690	5.2
173.09480	5.1
173.13191	5.9
175.14796	3.6
184.89796	3.7
185.13258	4.8
189.11287	8.0
193.12227	14.2
209.11711	3.9
211.13242	8.0
227.12782	12.4
229.14479	4.9
236.67491	3.6
255.15901	3.8
261.22137	22.3
267.15891	12.1
277.21472	4.6
283.15469	21.0
301.16458	67.4
301.19653	6.8
301.30484	3.6
303.32953	4.2
329.06998	4.1
333.24420	4.9
335.25793	100.0
336.26093	7.3
527.37366	8.4
543.36603	23.7
561.37744	99.1
903.63086	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	920.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	3.5
67.05504	100.0
69.03415	8.4
69.07065	27.6
69.72153	12.8
71.01383	2.1
71.05003	4.9
71.08639	2.8
73.02917	8.5
77.03945	2.3
79.05490	82.3
81.03416	45.8
81.03857	1.8
81.07053	84.0
82.04181	2.9
83.04974	21.4
83.08622	24.3
85.02898	24.4
85.06510	4.7
85.44339	2.0
91.03944	12.2
91.05478	57.2
93.07037	89.4
95.04971	29.5
95.08604	67.8
97.02888	22.2
97.06527	11.9
97.10157	19.8
98.07344	2.7
99.04458	3.7
105.07029	38.8
107.04942	14.7
107.08588	49.0
109.06493	8.5
109.10150	28.5
111.04436	5.9
111.08086	8.1
116.04708	12.3
117.07046	17.2
119.08577	33.6
121.06493	5.0
121.10137	33.7
123.08053	7.0
123.11716	11.2
125.09636	16.9
127.03901	7.6
127.07269	1.9
128.06229	3.2
129.05481	26.1
129.06969	10.8
131.08568	26.5
133.10115	22.4
135.08080	3.1
135.11693	32.9
137.09589	3.3
143.07024	5.6
143.08540	5.3
145.04961	4.2
145.06552	2.1
145.10115	28.0
147.08041	4.0
147.11664	16.6
149.09616	3.7
149.13278	12.8
151.11212	2.3
153.12724	8.9
157.08676	13.8
157.10121	11.5
159.11693	10.7
161.13252	9.0
162.82924	2.1
163.06027	4.0
163.11188	24.6
163.14865	4.0
165.12828	2.6
171.10184	4.8
171.11681	3.5
173.09579	2.5
173.11852	2.7
173.13284	5.8
175.11142	6.7
175.14818	2.3
181.12245	6.7
183.11671	3.0
184.07344	3.5
185.13327	2.6
187.14798	3.5
189.11198	5.1
191.10657	3.6
193.12259	11.4
199.13280	7.8
209.11717	7.3
211.13275	7.5
227.12749	25.1
229.14375	5.8
243.21094	4.5
259.20605	8.8
261.22150	17.9
265.14371	2.4
267.15936	21.0
268.16342	5.0
277.21661	5.8
283.15421	19.9
301.16449	80.1
315.22995	2.8
317.24820	4.4
335.25827	81.4
336.26169	5.7
351.25302	3.1
469.32745	3.2
525.35419	2.6
527.37140	7.1
528.37451	3.5
529.37628	3.1
543.37018	13.6
545.38074	2.6
561.37732	42.1
562.38190	2.7
667.80304	2.5
875.92743	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	919.5227
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05524	1.7
69.03424	1.7
71.01359	0.9
71.08633	1.2
71.58217	0.9
71.58603	0.9
73.02927	2.8
79.05508	0.7
81.03433	2.7
81.07072	2.7
83.08616	1.1
85.02886	4.2
85.10149	0.9
91.03963	2.2
93.07081	0.8
95.04985	0.8
95.08620	1.6
97.02872	4.4
101.02399	2.2
105.07070	1.4
107.08588	1.1
121.10182	0.9
127.03961	1.6
133.10204	0.7
149.09650	1.1
163.11208	1.0
193.12367	1.1
215.29578	0.7
232.98653	0.8
243.08447	2.0
258.44431	0.8
283.15341	3.1
313.27521	1.0
339.17874	1.0
347.09644	2.1
405.13654	4.3
441.11502	0.9
497.30994	3.0
501.23007	8.9
604.34949	0.8
659.36090	4.2
663.28430	8.7
757.47211	2.4
919.52283	100.0
920.52698	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	916.5494
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	3.0
67.05504	60.0
69.03415	6.2
69.07069	13.2
70.68478	1.6
71.04990	3.3
71.08629	18.4
71.58575	2.6
72.94143	1.6
73.02917	4.4
79.05489	26.8
81.03420	7.4
81.06584	2.3
81.07059	38.2
83.04967	4.2
83.08615	20.1
85.02902	25.4
85.06524	3.0
85.10162	10.0
87.04454	4.8
91.03944	9.1
91.05477	12.5
93.07041	18.8
95.04974	8.9
95.08604	29.7
97.02895	9.9
97.06527	1.6
97.10164	19.4
99.27019	1.5
105.07046	9.1
107.04935	4.7
107.08593	18.3
109.02818	1.7
109.06502	1.6
109.10150	37.2
117.07018	5.4
119.08548	8.0
121.06518	2.0
121.10131	7.9
123.11709	4.0
125.09641	20.2
127.03903	3.2
129.06961	1.9
131.08588	7.9
133.10072	4.6
135.11685	8.0
143.10638	3.7
145.04857	2.6
145.10120	5.1
147.11685	3.0
155.10658	1.5
157.10117	1.8
159.11658	2.3
163.06035	5.0
163.11133	2.1
173.11775	14.1
173.13214	2.6
181.12170	1.8
189.11237	3.2
199.13246	10.2
209.11693	4.5
223.13336	15.8
227.12801	12.9
229.14336	42.7
235.49664	1.8
239.23761	4.1
243.21078	2.3
261.22025	4.8
267.15817	1.7
283.15356	7.1
297.16983	22.0
301.16458	31.0
313.27374	100.0
314.27585	3.0
319.17450	1.9
331.93845	1.7
335.25790	28.1
341.26947	3.1
347.26630	1.7
437.36359	6.3
455.37219	18.0
455.69553	1.9
467.37268	23.3
472.19757	1.8
489.35669	4.0
521.38550	3.8
539.39398	21.4
557.38452	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5494
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	3.0
67.05504	60.0
69.03415	6.2
69.07069	13.2
70.68478	1.6
71.04990	3.3
71.08629	18.4
71.58575	2.6
72.94143	1.6
73.02917	4.4
79.05489	26.8
81.03420	7.4
81.06584	2.3
81.07059	38.2
83.04967	4.2
83.08615	20.1
85.02902	25.4
85.06524	3.0
85.10162	10.0
87.04454	4.8
91.03944	9.1
91.05477	12.5
93.07041	18.8
95.04974	8.9
95.08604	29.7
97.02895	9.9
97.06527	1.6
97.10164	19.4
99.27019	1.5
105.07046	9.1
107.04935	4.7
107.08593	18.3
109.02818	1.7
109.06502	1.6
109.10150	37.2
117.07018	5.4
119.08548	8.0
121.06518	2.0
121.10131	7.9
123.11709	4.0
125.09641	20.2
127.03903	3.2
129.06961	1.9
131.08588	7.9
133.10072	4.6
135.11685	8.0
143.10638	3.7
145.04857	2.6
145.10120	5.1
147.11685	3.0
155.10658	1.5
157.10117	1.8
159.11658	2.3
163.06035	5.0
163.11133	2.1
173.11775	14.1
173.13214	2.6
181.12170	1.8
189.11237	3.2
199.13246	10.2
209.11693	4.5
223.13336	15.8
227.12801	12.9
229.14336	42.7
235.49664	1.8
239.23761	4.1
243.21078	2.3
261.22025	4.8
267.15817	1.7
283.15356	7.1
297.16983	22.0
301.16458	31.0
313.27374	100.0
314.27585	3.0
319.17450	1.9
331.93845	1.7
335.25790	28.1
341.26947	3.1
347.26630	1.7
437.36359	6.3
455.37219	18.0
455.69553	1.9
467.37268	23.3
472.19757	1.8
489.35669	4.0
521.38550	3.8
539.39398	21.4
557.38452	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	1.3
67.05494	1.1
69.03430	9.2
70.14761	3.1
71.01339	1.1
81.03416	41.3
83.01347	2.8
83.04994	1.0
84.94923	0.7
85.02911	3.5
93.03409	3.0
95.01329	7.0
95.04953	1.3
97.02893	6.2
99.00818	1.4
99.04473	2.2
101.02344	1.0
109.02882	22.0
111.00838	1.0
111.04434	1.9
113.02374	3.7
121.02869	2.8
123.04471	1.1
125.02357	6.2
127.03907	7.0
137.02354	4.6
139.03853	6.1
141.01826	2.3
143.03452	1.1
145.02814	1.3
147.04434	2.1
149.02332	2.6
153.01846	2.1
157.02855	1.4
163.03867	2.7
165.01836	9.6
167.03386	13.6
167.04541	1.2
173.02356	2.2
175.03940	2.7
177.01852	3.8
179.03392	1.2
185.04443	9.8
187.03914	5.4
191.03305	4.1
193.01328	14.1
195.02895	3.8
201.01813	5.8
203.03349	5.1
205.04962	1.1
207.02943	1.7
211.02269	1.7
213.01814	3.5
213.03952	9.5
213.05716	1.2
215.03352	4.5
217.01250	1.0
219.02890	5.1
221.00807	63.7
222.01273	1.2
223.02396	1.2
229.01282	5.7
230.01939	1.0
231.02882	22.8
231.04909	1.2
235.02441	2.0
239.01843	26.9
241.01332	3.5
243.02995	1.3
245.00896	1.2
245.04492	1.1
247.02380	10.6
257.00809	9.4
259.02383	28.2
261.03952	1.7
263.01886	1.2
267.39157	1.1
271.02405	2.0
273.00244	1.0
275.01846	16.3
276.02661	6.7
277.03424	77.8
285.00369	7.5
285.03564	1.4
287.01654	1.2
289.03400	1.5
301.03485	1.9
303.01337	100.0
304.01749	2.4
305.02811	1.4
319.01038	1.3
321.02325	2.9
347.03970	1.2
359.03879	1.3
391.02917	2.0
405.04474	1.3
409.04221	0.9
415.03082	1.5
433.04086	1.7
447.05508	1.1
451.05063	12.0
461.43790	1.0
469.06314	6.9
470.15182	0.8
471.10751	1.1
518.50116	0.9
539.06836	1.5
577.08179	1.0
595.09222	7.8
614.64825	1.0
636.83972	0.9
732.69159	1.1
915.11115	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	914.567
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05171	1.1
67.05499	12.9
69.03410	2.2
69.07066	6.1
69.53976	1.4
69.54386	4.0
71.04991	0.8
71.08625	20.6
73.02895	1.3
79.05480	7.1
81.03410	64.9
81.06583	1.2
81.07048	17.2
83.04955	3.1
83.08150	1.4
83.08614	19.2
85.02889	5.1
85.06523	0.9
85.10179	11.7
89.05994	1.5
91.03956	3.3
91.05469	10.6
93.07029	5.7
95.04367	1.3
95.04961	20.6
95.08601	16.7
95.09203	0.4
97.02875	5.3
97.06522	1.2
97.10178	3.5
103.07574	1.6
105.07017	8.7
107.04958	4.9
107.08585	3.5
109.06498	1.9
109.10144	6.1
111.04438	1.4
111.08067	4.5
111.11697	0.7
115.05391	0.9
117.07008	1.4
119.04907	1.1
119.08568	8.8
121.06523	3.6
121.07236	0.7
121.10130	4.0
123.04391	1.4
123.08026	1.2
123.11691	3.5
127.03887	1.0
129.06996	6.8
131.08563	6.4
133.06474	2.0
133.10103	2.8
135.08099	0.8
137.09554	1.4
137.13252	0.7
142.07765	2.1
145.04967	1.4
145.10106	1.8
147.04417	1.2
147.08041	2.4
147.11716	4.9
149.09618	3.3
157.10138	7.4
163.05988	2.9
163.11169	1.3
165.12769	1.9
175.11176	7.8
193.12228	23.5
211.13272	1.9
235.13353	1.7
239.23682	2.1
249.14941	1.8
257.24704	1.9
259.13354	1.3
267.15897	100.0
268.16385	1.5
273.14883	1.1
301.14249	1.9
309.16873	2.6
313.27338	95.3
314.27609	2.4
393.19025	1.2
505.38837	80.6
506.39227	2.9
523.39307	1.1
547.39954	6.3
589.40881	0.9
601.40479	2.8
613.40674	1.2
631.41681	1.6
649.42322	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5727
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	18.3
67.21550	1.7
69.03425	4.3
69.07070	10.8
69.90205	1.7
69.93186	1.9
70.08060	1.6
71.05005	2.3
71.08632	18.7
71.49364	4.7
73.02904	2.6
75.48356	1.6
79.05496	15.8
81.03416	52.4
81.07053	26.2
83.04979	11.6
83.08615	21.8
85.02897	30.3
85.10177	13.4
91.03938	6.8
91.05475	21.1
93.07038	12.5
95.04966	21.4
95.08604	20.3
97.02896	9.8
97.06526	2.6
97.10149	8.0
105.07022	14.1
107.04937	5.9
107.08589	5.6
109.06490	2.6
109.10156	8.4
111.08077	6.9
111.11693	2.3
113.06022	2.4
119.08559	14.8
121.10147	5.6
123.11709	3.0
129.07010	6.5
131.08574	9.3
133.10112	10.8
142.07803	2.2
147.11667	11.8
149.09607	5.4
157.10114	11.3
160.08669	1.9
163.06052	1.9
175.11171	12.7
193.12251	37.3
211.13272	48.5
267.15894	17.2
285.16937	69.9
285.28104	2.0
286.17493	3.1
341.30469	64.3
342.30606	2.6
459.76364	2.3
480.71207	2.3
533.42230	15.8
551.43079	100.0
552.43188	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	909.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
65.28982	0.2
67.05511	2.3
69.03421	3.7
69.07056	0.4
71.04991	0.4
71.58237	0.4
73.02917	4.3
73.78088	0.3
79.05486	2.2
80.81236	0.3
81.03423	3.6
81.07059	2.9
83.04966	0.7
83.08617	0.7
85.02905	6.7
87.04456	0.5
91.03951	3.5
91.05480	2.6
93.07041	2.0
95.04967	0.8
95.08608	1.9
97.02892	6.0
97.06551	0.6
99.04472	1.0
103.03991	0.3
105.07038	1.5
106.29459	0.3
107.08596	1.0
107.70851	0.3
109.02906	0.8
109.06540	0.4
109.10180	0.7
111.08120	0.5
115.03958	0.3
119.08607	1.4
121.10190	0.7
123.11907	0.3
127.03915	2.2
129.07063	0.4
131.08586	0.8
133.10165	0.9
135.11716	0.4
139.37344	0.3
145.04976	0.4
147.11771	0.8
157.10170	0.7
163.52519	0.3
175.11247	0.6
185.04295	1.1
185.37236	0.3
193.12309	0.7
198.94521	0.3
203.05351	0.7
211.13443	0.4
220.99612	0.3
243.08411	2.5
251.12686	0.9
285.17279	0.3
289.09470	0.4
307.15353	0.9
347.09549	2.2
363.09131	0.5
365.10620	1.0
405.13718	5.1
469.20517	7.2
470.21335	0.4
503.28668	0.3
519.29285	3.2
631.25745	7.9
632.26038	0.4
681.34485	3.5
747.42706	1.5
864.57959	0.3
909.48145	100.0
910.48395	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	908.5569
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	11.1
69.07051	8.2
70.84185	14.1
70.84535	5.9
71.08622	16.5
79.05486	12.5
81.03407	6.4
81.07033	21.3
82.77312	6.1
83.01334	6.5
83.04958	11.3
83.08604	11.5
85.02894	10.9
85.07672	6.5
85.10183	8.2
93.07036	14.2
95.08591	12.4
97.02882	6.7
105.07022	6.9
116.88606	6.5
119.08673	5.2
121.10221	7.2
123.23403	5.0
135.11690	5.5
145.10146	9.2
160.85590	5.7
163.11128	15.0
169.39748	5.4
209.11742	5.2
283.15375	100.0
300.26669	5.4
341.30499	78.9
549.41437	45.5
934.18591	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	909.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	2.8
68.16168	0.4
69.03428	3.1
69.07085	0.8
69.13377	0.4
69.37147	1.9
69.37578	2.0
71.04980	0.5
73.02918	3.8
79.05481	2.3
81.03420	2.4
81.07043	3.1
83.04980	0.4
83.08602	0.6
85.02894	5.9
87.04488	0.5
91.03956	3.5
91.05490	2.1
93.07015	2.9
95.04981	1.0
95.08580	2.6
97.02892	5.4
99.04470	0.9
101.02390	1.6
105.07057	1.1
107.08606	1.6
109.02921	1.3
109.06513	0.4
109.10207	0.9
117.07051	0.4
119.08596	1.2
121.10190	1.4
123.00684	0.4
127.03893	1.9
131.08623	1.0
133.10159	0.8
133.49300	0.4
135.11653	0.6
145.05022	0.4
185.04234	1.0
193.12209	0.5
196.80234	0.4
203.05338	0.8
243.08444	2.1
251.12523	0.5
261.88425	0.4
268.09262	0.4
269.12231	0.6
285.73425	0.4
291.17065	0.4
307.14755	0.4
334.40704	0.4
336.57318	0.5
347.09521	2.2
357.08710	0.4
363.09146	0.7
365.10699	1.2
405.13623	4.5
469.20532	4.6
519.29138	4.0
537.68115	0.4
631.25806	3.0
681.34528	7.1
682.35217	0.4
747.42932	1.6
866.60809	0.7
909.48096	100.0
910.48633	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	907.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
66.66119	0.6
67.05507	8.6
68.08749	0.6
69.03429	4.5
69.07066	1.8
69.47614	0.5
70.62252	0.6
71.04986	0.9
73.02910	3.6
79.05489	5.6
81.03429	3.0
81.07053	8.2
82.07368	0.7
83.04990	0.7
83.08618	1.3
84.03788	0.6
85.02901	6.4
85.06550	0.8
91.03960	3.6
91.05480	2.7
93.07039	5.9
93.49504	0.7
95.04974	1.8
95.08591	5.3
96.08961	1.2
97.02899	6.0
97.06515	0.8
98.20792	1.6
99.04449	0.9
101.02377	1.5
105.07047	2.4
107.08584	3.5
109.02872	0.7
109.10170	1.8
109.10922	0.7
115.03979	0.7
117.07053	0.9
119.08618	2.0
121.10171	2.2
123.11704	0.8
127.03957	1.6
131.08604	1.2
133.10141	1.5
135.11717	2.7
138.72935	0.6
145.10146	1.3
149.13269	1.2
159.11755	1.3
163.11255	1.2
197.67079	0.6
203.05446	0.7
227.12744	0.8
229.36023	0.6
243.08490	1.8
243.16049	0.8
249.10938	6.0
249.12909	0.6
250.15588	0.6
261.22223	0.8
270.18002	0.7
287.18518	1.0
305.13550	1.3
335.25729	2.9
336.26370	2.0
347.09735	2.0
365.10629	1.2
405.13675	5.2
445.98862	0.6
467.18817	5.1
499.13959	0.7
503.37524	2.9
504.37811	3.2
519.29254	5.7
546.38776	1.4
547.39307	1.9
548.40039	3.0
629.24451	2.6
681.34583	7.6
682.59711	0.7
745.41309	2.1
907.46533	100.0
908.46783	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	908.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
64.20798	1.9
67.05505	20.0
69.03426	4.3
69.07069	17.2
69.38282	13.1
71.04993	3.1
71.08628	2.0
73.02906	2.7
79.05505	14.4
81.03421	34.6
81.07060	28.0
83.04974	7.1
83.08617	23.4
85.02895	18.5
91.03972	4.2
91.05478	14.1
93.07046	16.2
95.04965	12.6
95.08601	18.1
97.02875	6.2
97.06528	3.2
97.10177	8.4
98.20719	3.2
105.07026	14.3
107.04979	3.4
107.08595	6.0
109.06489	3.0
109.10150	7.9
111.08084	7.1
113.05991	2.0
119.08550	10.0
121.06555	2.0
121.10159	10.9
123.08128	2.0
123.11684	3.1
129.06989	4.2
131.08568	5.2
133.10120	6.4
135.11691	6.0
145.04942	3.9
147.11676	10.6
149.09596	4.1
149.13274	2.3
157.10123	7.6
175.11215	10.6
183.77739	1.8
193.10579	3.3
193.12238	25.6
211.13287	45.6
265.25510	1.9
267.15903	14.8
285.16980	57.4
292.98145	1.8
339.28912	54.5
347.62390	1.8
499.58875	1.9
531.40875	10.0
549.41479	100.0
550.42059	2.6
798.72192	2.3
909.46002	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	907.465
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	3.7
69.03425	3.6
69.07049	0.8
69.93398	1.3
71.01360	0.7
71.05000	0.7
73.02913	4.9
79.05484	2.9
81.03419	2.5
81.07048	4.1
83.01328	0.4
83.04983	0.5
83.08616	0.4
85.02897	6.5
85.03370	0.5
87.04471	0.7
91.03951	4.3
91.04456	0.4
91.05470	1.7
93.07041	3.3
95.04962	0.8
95.08597	2.9
97.02887	8.1
97.06521	0.3
99.04475	1.3
101.02362	2.3
102.05044	0.3
103.03897	0.3
105.07041	1.1
107.04988	0.4
107.08585	1.9
109.02872	1.2
109.06493	0.3
109.10162	1.1
115.03985	0.6
117.07024	0.6
119.08591	1.1
120.75005	0.3
121.10113	1.9
123.08047	0.4
127.03902	1.7
131.08592	0.8
133.10139	0.4
135.11729	0.9
144.81342	0.3
145.04980	0.5
145.10062	0.5
149.13307	0.5
163.11259	0.8
176.95758	0.2
181.56116	0.3
185.04279	0.9
203.05310	1.0
233.18672	0.3
243.08420	2.2
249.11137	0.3
261.22189	0.3
332.91983	0.3
335.25934	0.6
347.09515	2.2
351.92899	0.3
365.10736	1.0
405.13641	4.8
405.18454	0.4
467.18970	3.2
519.29279	4.1
548.40167	0.5
629.24213	3.2
651.60120	0.3
681.34570	7.5
682.35449	0.6
745.41467	1.2
905.28290	0.3
907.46527	100.0
908.46942	9.1
908.64166	0.6
921.56433	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	3.0
69.03429	3.3
69.07073	0.6
71.01349	0.8
71.05001	0.6
73.02919	3.7
79.05499	2.7
81.03418	2.5
81.07058	3.0
83.01356	0.8
83.04981	0.5
83.08648	0.6
85.02901	6.2
87.04473	0.4
91.03950	4.0
91.05496	1.2
93.07045	3.2
95.04987	0.8
95.08601	1.7
97.02885	6.4
97.06549	0.3
98.20621	0.5
99.04457	0.9
99.76544	0.3
101.02356	1.8
105.07064	1.0
107.04986	0.3
107.08605	1.4
109.02873	0.6
109.06548	0.4
109.10185	1.0
115.03928	0.5
117.07032	0.7
119.08595	1.3
121.06538	0.4
121.10174	1.3
127.03908	1.9
131.08594	0.8
133.10141	0.7
135.11717	1.2
145.10146	1.1
159.06633	0.3
163.11223	1.2
185.04242	0.9
203.05312	0.9
243.08403	2.1
267.16040	0.3
267.68738	0.4
280.53412	0.3
283.15576	0.5
335.25989	0.3
347.09390	2.0
363.09131	0.4
365.10693	0.7
389.87430	0.3
405.13690	4.3
467.18866	5.8
519.29260	2.9
548.40149	0.6
618.65009	0.3
629.24084	7.1
681.34607	3.3
745.41394	1.3
907.46545	100.0
908.46918	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	906.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03960	1.7
67.05503	45.3
69.03425	3.7
69.07065	16.6
69.69749	1.9
71.04991	4.9
73.02906	5.6
79.05492	25.6
81.03420	29.5
81.07050	52.9
83.04964	9.5
83.08623	17.8
85.02904	24.6
85.06526	3.2
89.06021	3.1
91.03949	6.5
91.05477	21.7
93.07040	24.8
95.04962	13.0
95.08608	33.8
97.02897	8.6
97.06504	5.0
97.10153	6.6
99.08076	2.1
105.07036	15.4
107.04984	3.0
107.08572	14.0
109.06547	2.6
109.10147	18.0
111.08057	5.0
112.85716	1.8
117.06995	1.9
119.08562	14.8
121.06477	1.9
121.10153	11.3
123.08064	3.2
123.11710	6.4
125.09650	2.7
127.03897	2.8
129.07042	8.4
131.08553	7.6
133.06483	1.9
133.08571	2.4
133.10165	10.2
135.11661	4.4
137.09627	2.2
145.10124	2.8
147.11685	13.7
149.09538	2.7
149.13257	3.1
151.11226	1.8
157.10086	8.4
159.11647	2.7
161.13290	2.3
163.11215	2.1
175.11159	6.5
193.12230	21.6
211.13297	29.7
227.20073	15.6
228.20375	5.3
263.23602	3.2
267.15976	12.3
285.16971	38.9
336.26141	3.7
337.27319	63.8
489.35696	5.2
515.37128	2.3
521.55798	1.8
529.38770	11.7
547.39893	100.0
548.40479	5.0
798.21704	2.3
906.50775	15.3
907.46594	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	906.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	2.1
67.05502	41.2
69.03426	4.0
69.07067	16.0
70.25771	2.6
71.04982	5.5
73.02924	3.9
75.45921	0.8
78.67837	0.8
79.05489	18.7
81.03417	36.5
81.07054	43.7
83.04977	10.3
83.08616	18.1
85.02903	20.3
85.03421	1.1
85.06545	2.0
87.04450	1.1
91.03957	5.9
91.05476	24.1
93.07040	20.6
93.07624	1.0
95.04965	15.9
95.08603	27.0
97.02885	7.1
97.06530	4.4
97.10155	5.5
99.08091	1.7
99.78510	0.8
101.59144	0.8
105.07021	15.9
107.04937	4.0
107.08589	10.7
109.06521	3.1
109.10152	13.3
111.04475	1.2
111.08099	7.1
113.06001	1.7
115.05474	1.4
117.07013	2.0
119.08572	15.9
121.06479	1.2
121.10136	10.6
123.08057	1.8
123.11689	4.8
125.09621	1.3
127.03913	2.4
127.07528	0.7
129.07007	5.2
131.08551	7.9
133.06499	1.1
133.10129	10.2
135.11708	4.5
137.09653	2.2
137.13266	1.1
142.07796	2.1
145.04985	3.2
145.10094	1.3
147.08102	1.5
147.11679	11.2
149.09605	4.5
149.13341	1.7
157.10118	8.9
161.13264	1.5
163.06041	2.2
163.14923	1.3
165.12799	1.7
173.11812	1.2
175.11150	9.3
175.14828	1.2
189.16507	0.8
193.12241	29.5
211.13286	43.9
212.13602	0.8
229.14378	0.8
245.22847	1.2
263.23642	3.6
267.15933	15.7
267.43555	0.7
283.15662	0.9
285.16956	56.4
286.17386	1.4
335.25800	2.1
336.26236	1.4
337.27356	52.1
338.27643	1.2
380.07458	0.8
455.35327	1.1
473.36050	0.9
489.35602	4.6
529.38867	13.3
546.38251	0.8
547.39929	100.0
548.40454	4.3
723.68237	0.8
906.50732	5.7
907.46411	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
64.16058	0.9
65.03934	2.2
67.05505	82.0
68.05850	1.7
69.03429	3.8
69.07066	11.5
71.04990	15.7
71.13747	1.1
73.02911	2.7
79.05489	27.1
80.37633	1.1
81.03401	4.1
81.07053	33.6
83.04958	3.0
83.08616	8.3
85.02896	11.5
85.06524	3.2
91.03945	5.4
91.05478	22.5
91.28787	1.1
93.07043	38.2
94.07363	1.3
95.04966	4.8
95.08604	25.1
97.02889	5.9
97.06499	3.1
97.10156	2.4
98.21518	3.0
99.04503	1.1
99.08089	1.4
105.07011	12.5
107.08591	18.5
109.06504	1.7
109.10154	55.8
111.08069	2.4
117.06995	5.0
119.08569	16.2
121.06507	0.9
121.10141	13.7
123.08086	1.2
123.11713	2.0
125.09618	1.5
127.03940	1.9
129.06999	1.9
131.08543	6.7
133.10132	7.5
133.67108	1.0
135.11673	15.1
137.09634	6.1
140.21268	1.2
143.08589	1.1
145.04979	2.1
145.10129	7.7
147.11673	4.1
149.13232	3.2
155.10658	2.0
159.11682	3.7
161.13254	3.8
163.06071	1.7
163.11200	3.3
163.14865	1.5
165.12741	1.4
173.11723	6.7
173.13193	2.5
181.12206	2.2
187.13391	1.4
198.11264	1.0
203.71745	1.0
211.13252	1.5
229.14308	1.7
243.15941	2.0
243.20990	1.1
255.15895	4.1
261.22064	4.2
274.02383	1.0
279.29959	1.4
285.16922	1.7
287.18481	16.0
335.25790	23.6
336.25888	1.2
337.27478	2.4
423.32617	1.3
471.34924	2.2
472.10388	1.2
489.35730	100.0
490.35989	4.3
497.36200	1.3
503.36984	3.3
515.30377	1.8
515.37299	19.1
529.38776	2.1
533.37897	1.0
547.39917	99.8
548.40479	4.7
691.43707	1.9
906.50562	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	1.0
67.05499	27.5
69.03422	2.7
69.07061	7.5
71.04984	3.7
73.02907	2.6
79.05012	1.5
79.05488	23.3
81.03412	32.0
81.07050	31.3
83.04965	7.5
83.08607	14.9
85.02898	19.3
85.06549	0.9
91.03947	4.7
91.05473	22.9
93.07035	22.5
95.04961	15.3
95.08595	21.7
97.02889	6.1
97.06527	2.5
97.10152	3.0
98.20770	2.2
99.04445	1.1
105.07027	16.3
107.04944	2.7
107.08575	11.4
109.06496	2.7
109.10143	8.7
111.04433	1.5
111.08066	5.4
115.05452	0.8
117.07018	2.9
119.08568	13.5
121.10138	12.9
123.08096	1.8
123.11705	4.6
125.09621	1.6
127.03915	1.9
129.06992	7.2
131.08557	8.3
133.06473	1.3
133.10129	8.1
135.11720	5.6
137.09570	1.4
142.07758	1.2
145.04935	2.8
145.10133	4.3
147.08069	2.4
147.11687	8.3
149.09619	2.9
149.13260	3.0
157.10112	9.9
159.11682	2.6
161.13260	2.5
163.06036	2.8
163.11241	1.2
163.14825	2.0
165.12762	2.1
171.11687	0.7
173.13353	1.1
175.11182	8.3
187.14859	1.4
193.12222	31.8
208.74466	0.8
211.13275	60.9
215.92377	0.8
227.12808	1.0
240.23036	0.8
243.21045	3.3
261.22150	9.1
267.15887	14.2
285.16940	67.8
286.17389	1.2
301.25244	1.4
317.24667	2.9
335.25778	66.9
336.26282	1.6
435.32452	2.6
446.85062	0.9
453.33585	1.6
471.34641	1.5
527.37341	12.9
545.38318	100.0
546.38593	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	905.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99789	0.1
69.03437	0.3
69.80120	0.4
79.01852	5.1
79.05493	0.1
80.02189	0.1
81.03408	0.7
87.00817	0.1
91.05473	0.1
95.01326	0.1
97.02273	0.1
97.02888	1.4
98.20822	0.1
107.01317	1.1
107.04926	0.1
109.02860	0.7
119.04958	0.1
121.02857	0.2
123.00831	0.2
125.02348	3.8
127.03917	2.5
131.04890	0.1
135.04387	0.1
137.02293	0.1
139.03885	0.1
143.03394	8.6
144.03741	0.1
147.04401	0.2
151.68521	0.1
153.01825	100.0
153.02789	3.7
154.02155	1.0
154.03308	0.1
159.04411	0.1
163.03900	1.0
165.01918	0.1
171.02908	0.7
171.04298	0.1
175.03928	0.1
177.05434	0.1
179.03362	0.1
181.01337	0.1
191.03395	2.4
193.04942	0.1
205.04951	0.2
207.02962	0.1
209.04443	0.7
213.03885	0.6
215.03358	0.1
219.02913	0.5
221.04369	0.1
221.51465	0.1
231.06743	0.1
233.04468	0.5
237.03934	5.8
243.02968	0.1
251.05432	0.1
258.05179	0.1
261.03958	0.9
267.04904	0.1
279.04990	1.6
287.05499	4.1
288.05835	0.1
297.06076	1.0
305.02661	0.1
319.04736	0.1
431.05902	0.1
449.07156	2.6
450.07010	0.1
467.08188	0.2
619.09229	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
63.71949	1.2
66.23658	0.9
67.05502	13.3
69.03431	1.4
69.07067	12.4
69.44744	9.0
71.04973	2.6
71.08614	2.6
73.02913	1.2
79.05489	11.8
81.03423	5.7
81.07048	16.6
83.01331	3.4
83.05006	5.3
83.05479	1.2
83.08617	13.9
85.02897	9.6
85.06528	1.1
91.03940	5.2
91.05473	4.9
92.69781	1.1
93.07040	14.9
95.04967	4.4
95.08612	15.1
97.02895	3.6
97.06514	2.8
97.10155	7.2
99.04462	1.1
105.07012	4.6
105.33569	1.1
107.04981	3.2
107.08593	8.6
109.06499	3.0
109.10147	8.4
111.04446	1.1
111.08052	2.3
111.11687	2.2
117.07034	3.8
119.08562	3.3
121.02740	1.2
121.06495	1.6
121.10168	8.4
123.08065	3.7
123.11734	2.0
125.09694	1.4
127.03856	2.4
128.18263	1.2
131.08554	1.4
133.10098	1.2
135.11719	10.0
145.04991	2.4
145.10100	6.8
147.08011	1.4
149.13219	1.3
153.12784	1.7
161.59766	1.1
163.06090	2.4
163.11160	14.4
163.14842	1.6
173.09604	2.2
181.12199	2.3
191.10776	1.3
200.31047	1.3
209.11752	2.9
211.17067	1.1
227.12787	4.5
265.25278	1.8
283.15387	100.0
284.15747	2.5
297.28012	1.1
334.02325	1.1
339.28912	65.3
340.29044	2.3
371.79947	1.4
517.95197	1.2
547.39923	47.8
548.40216	2.7
760.30341	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	3.0
66.63786	0.9
67.05498	42.1
69.03417	4.0
69.07069	10.1
71.04982	4.2
73.02894	3.4
79.05486	33.5
81.03408	43.6
81.07050	43.1
83.04967	8.8
83.08140	1.6
83.08607	17.8
85.02433	1.9
85.02898	25.4
85.06541	1.9
91.03957	6.7
91.05472	30.5
93.07032	38.5
95.04965	17.5
95.08596	27.6
97.02872	5.9
97.06514	3.6
97.10155	3.7
99.08094	1.0
99.35027	1.1
105.07022	24.0
107.04950	3.4
107.08585	20.0
109.06530	4.9
109.10136	10.4
111.04442	2.4
111.08071	6.9
113.06003	1.5
115.05389	1.2
117.07052	4.6
119.07740	0.7
119.08566	16.3
121.06500	1.5
121.09312	1.5
121.10138	17.7
123.08015	1.8
123.11742	4.6
125.09595	2.2
127.03913	1.3
127.07554	1.0
129.06987	8.6
131.08548	13.1
133.06483	1.3
133.10126	13.0
135.11678	7.0
137.09621	1.1
137.13217	1.3
145.04990	1.7
145.10100	5.3
147.07980	1.2
147.11673	13.1
149.09610	4.2
149.13257	4.5
157.10089	8.3
159.11688	4.1
161.13219	2.6
163.06009	2.5
163.11148	1.0
163.14798	1.5
165.12709	2.3
173.13237	3.1
175.11172	9.4
187.14870	1.6
190.88376	0.9
193.12222	30.8
211.13264	37.7
243.21077	2.6
247.87444	1.0
261.22171	9.7
267.15887	10.4
285.16949	42.2
317.24756	1.4
335.25775	68.9
336.26294	2.1
337.27075	0.9
435.32458	1.1
442.18280	1.1
453.33777	1.1
522.66827	0.9
527.37158	11.9
545.38324	100.0
546.38739	4.2
588.81873	1.1
662.16870	1.0
736.78217	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.525
Annotation	Unknow
Peak:m/z	Relative Intensity
63.47802	0.6
65.03938	1.6
67.05503	32.1
68.05838	1.1
69.03425	3.1
69.07064	7.3
69.49354	1.3
69.49757	4.6
71.04987	2.7
73.02905	1.6
79.05491	28.4
80.05811	1.3
81.03418	32.0
81.07054	33.5
82.07378	1.8
83.01316	1.0
83.04988	9.3
83.08146	1.0
83.08618	15.3
85.02901	18.4
85.06541	1.5
87.04439	0.6
91.03945	3.6
91.05479	21.0
92.72897	0.7
92.73592	0.6
93.06474	1.5
93.07040	26.3
94.07377	1.4
95.04970	14.7
95.08605	23.4
96.08909	1.1
97.02889	5.9
97.06520	3.7
97.10166	2.7
99.04420	1.0
99.08096	0.8
105.04504	1.0
105.07027	16.8
106.07340	0.8
107.04936	3.2
107.08592	14.4
109.02876	0.7
109.06541	3.4
109.10157	9.8
111.04458	1.7
111.08088	4.6
113.06032	1.1
117.07027	3.2
119.08571	13.2
120.08907	0.9
121.06541	1.2
121.10138	13.8
121.11013	0.8
122.10471	0.9
123.08052	2.6
123.11696	2.1
125.09625	1.5
127.03892	2.1
129.06978	6.1
131.08580	8.9
133.06500	1.2
133.10135	8.7
135.08008	0.9
135.11707	8.1
136.12000	1.0
137.09627	1.7
137.13239	1.3
142.07771	1.7
145.05008	1.6
145.10109	5.1
146.10318	0.7
147.08047	1.7
147.11688	8.7
149.09630	3.5
149.13254	3.9
153.12714	0.9
154.65323	0.8
157.10136	6.3
159.11697	2.8
161.13248	2.1
163.06049	1.8
163.11192	2.4
163.14899	0.9
164.11514	1.4
164.15096	0.7
165.12798	1.5
173.13283	1.9
175.11188	7.0
177.16380	0.9
184.07463	0.9
187.14870	1.0
189.11263	0.9
193.12231	23.4
209.11667	0.7
209.84909	0.8
211.13283	31.8
216.55362	0.7
227.12808	2.6
229.14314	0.8
243.21043	1.5
244.89523	0.7
261.22168	6.4
267.15988	6.9
283.15463	7.2
284.15677	4.8
285.16977	30.8
285.40942	0.7
317.24817	1.2
335.25793	37.3
336.26077	5.7
337.26532	3.0
435.32574	0.8
447.12500	0.7
453.33450	1.5
471.34793	1.0
527.37335	8.3
543.37146	2.4
544.37048	4.7
545.38324	100.0
546.38513	2.0
795.31738	1.0
904.55267	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	1.4
67.05503	28.6
69.03421	2.0
69.07062	8.0
69.38637	2.8
69.39065	3.9
71.04984	2.8
73.02905	1.4
76.40736	0.6
79.05487	20.8
81.03414	22.3
81.07053	26.8
83.04976	6.7
83.08609	9.4
85.02900	13.0
85.06533	1.0
87.04479	0.9
91.03954	2.6
91.05479	17.1
93.07038	23.8
95.04967	12.8
95.08601	19.8
97.02885	5.5
97.06531	2.4
97.10167	1.7
99.08032	0.7
103.03954	0.9
105.07024	14.4
107.04967	2.6
107.08585	13.7
109.06508	2.8
109.10148	9.2
111.04424	1.2
111.08058	3.9
117.07002	3.4
119.08583	9.8
121.06477	1.1
121.10139	11.4
123.08069	1.5
123.11730	3.6
125.09659	1.5
127.03864	1.4
129.06998	3.5
131.08554	7.4
133.06477	0.7
133.10124	8.6
135.11688	5.3
137.09613	1.3
142.07838	0.9
143.08586	1.2
145.04976	1.6
145.10104	4.1
147.08116	1.0
147.11690	7.1
149.09633	3.1
149.13287	2.9
151.11156	0.7
157.10109	7.0
159.11676	1.5
161.13268	1.6
163.06010	1.0
163.11174	1.0
165.12776	1.7
173.13254	2.3
175.11163	6.2
175.14832	0.7
184.07552	0.9
187.14873	1.5
193.12234	17.2
211.13283	22.8
227.12759	1.5
243.21169	1.8
261.22128	6.0
267.15930	8.5
283.15433	2.4
284.15982	0.9
285.16949	30.7
317.24765	1.6
330.17160	0.8
335.25778	51.1
336.26169	2.3
337.26776	1.0
404.10696	0.8
422.25195	0.9
429.21356	0.8
435.32364	1.0
453.33813	1.7
471.34747	1.6
504.43805	0.8
527.37274	10.5
544.36829	1.3
545.38318	100.0
546.38715	4.9
563.38782	1.3
689.42316	1.6
904.53271	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
63.03102	0.7
65.03937	1.1
65.59653	0.8
67.05507	34.7
69.03419	3.0
69.07072	7.6
69.37072	7.8
71.01353	1.4
71.04977	3.0
73.02911	3.9
73.06564	0.9
73.72038	0.7
76.14289	0.7
77.03946	0.9
77.28053	0.8
79.05492	33.3
81.03416	8.0
81.07058	34.7
83.01334	6.1
83.04990	8.3
83.08615	10.2
85.02435	1.1
85.02905	16.9
85.06540	1.3
91.03955	9.7
91.05479	17.5
93.07043	37.7
95.04981	5.6
95.08607	23.9
97.02899	9.3
97.06509	3.8
97.10142	3.2
99.04452	2.0
99.08138	0.8
105.07029	13.9
107.04956	6.1
107.08595	20.7
109.06489	5.1
109.10152	11.5
111.04421	1.5
111.08080	2.3
115.05441	1.0
117.07004	8.5
119.08575	11.7
121.06472	2.6
121.10133	15.1
123.08091	5.4
123.11694	3.3
125.06007	1.2
125.09630	3.4
127.03902	3.8
129.07004	1.8
130.07779	1.0
131.08568	9.9
133.10126	6.6
135.08069	1.8
135.11682	15.2
137.09593	1.4
137.13220	1.0
139.07588	0.8
143.08580	0.9
145.04971	5.4
145.10112	15.2
147.08005	1.4
147.11697	3.7
149.09595	1.3
149.13280	3.6
153.12743	2.6
155.08556	1.5
159.11693	4.4
161.13152	3.7
163.05997	4.9
163.11176	17.5
163.14828	3.1
171.11662	1.0
173.09642	2.4
173.13216	3.8
175.14864	1.4
181.12267	2.8
185.13344	1.2
187.14836	1.7
189.11232	1.6
191.10695	2.5
193.12190	1.3
197.13196	0.8
197.28200	0.7
209.11713	6.9
211.13252	1.4
227.12762	10.4
241.19272	0.8
243.21155	4.5
259.20590	1.2
261.22073	13.3
262.22495	0.7
267.15930	1.7
283.15390	100.0
284.15683	2.8
299.23660	3.6
317.24796	4.6
333.24109	2.6
335.25803	64.6
336.26135	2.9
415.24704	0.8
430.05054	0.9
433.30661	2.1
451.32028	3.7
469.33072	2.8
487.34119	1.5
525.35645	5.3
543.36823	53.4
544.37103	2.9
561.37598	3.5
819.52521	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	2.5
67.05502	42.5
69.03413	3.1
69.07070	8.2
69.34175	1.0
69.51540	2.9
69.51964	6.2
71.01342	1.7
71.04988	5.4
73.02901	3.7
79.05489	40.1
81.03403	11.8
81.07053	51.8
83.01345	6.7
83.04973	10.0
83.08612	13.7
85.02431	1.5
85.02899	20.6
85.06532	2.5
91.03940	10.6
91.05476	24.9
93.07036	49.4
95.04989	8.9
95.08601	31.0
97.02885	11.2
97.06538	5.8
97.10146	5.0
99.04456	2.6
99.08047	1.5
105.07019	18.5
107.04940	5.5
107.08586	25.5
107.87321	1.0
109.06494	5.8
109.10145	14.8
111.04428	2.4
111.08059	3.5
117.06995	9.3
119.08569	15.5
121.06483	3.1
121.09316	1.7
121.10132	21.7
123.08051	5.6
123.11699	5.4
125.09635	3.7
127.03915	3.9
129.06979	3.7
130.07779	1.9
131.08539	8.2
133.10100	10.2
135.07979	1.6
135.11682	18.7
137.13284	2.0
143.08572	2.1
145.04941	5.9
145.06451	1.1
145.10095	18.1
147.08098	2.0
147.11687	9.2
149.13235	6.9
153.12717	3.2
155.08534	2.2
157.10130	1.4
159.11662	8.2
161.13220	3.7
163.06030	6.8
163.11176	19.7
163.14809	3.3
165.09329	1.0
165.12698	1.3
173.09557	2.4
173.13269	4.4
175.14725	1.5
180.08662	1.3
181.12228	3.4
187.14859	2.6
189.11191	2.5
191.10704	2.7
193.12308	3.4
201.16373	1.6
209.11728	6.2
211.13257	1.4
227.12787	14.0
243.21130	6.0
245.13779	1.1
259.20529	2.5
261.22141	17.8
267.15848	4.6
268.16309	1.0
283.15378	100.0
284.15604	2.2
285.17123	1.2
299.23785	5.4
314.27625	1.4
317.24664	5.2
333.24182	1.7
335.25769	92.5
336.26151	3.3
415.29117	1.5
417.16800	1.4
433.30954	2.6
451.32037	4.2
469.33044	1.7
487.34125	1.8
505.38974	1.5
506.39166	1.7
507.39764	1.8
515.37201	2.3
525.35858	8.6
528.00262	1.3
543.36774	78.4
544.36682	3.4
561.37683	4.8
701.32428	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	1.9
67.05502	32.5
69.03420	2.1
69.07067	9.6
70.16367	1.7
71.04994	2.2
73.02876	1.6
74.10834	0.3
77.03908	0.6
79.05491	28.8
81.03428	2.4
81.07054	33.7
83.01296	0.6
83.04982	3.7
83.08620	8.1
85.02898	4.3
85.06508	1.2
91.03955	1.8
91.05477	12.3
93.07040	39.8
94.07343	0.5
94.29250	0.4
95.04465	0.5
95.04967	5.8
95.08604	41.4
96.08878	0.4
97.02888	4.0
97.06534	3.1
97.10171	1.9
99.04441	3.1
99.08045	0.7
103.05428	0.8
103.36915	0.5
105.04449	0.5
105.07030	9.8
107.04959	5.0
107.08589	26.7
109.06519	2.8
109.10147	11.1
111.04386	1.2
111.08031	1.3
113.06056	0.4
113.09563	0.3
117.06236	0.4
117.07009	6.7
119.08576	10.8
121.06488	3.4
121.10139	16.9
123.08044	1.1
123.11691	3.1
125.05994	2.5
125.09619	0.6
127.03883	1.1
129.06958	0.7
130.07753	0.8
131.08560	5.0
133.10132	5.9
135.08023	1.2
135.11685	36.2
137.13179	0.8
139.07495	0.9
139.11153	0.4
143.08540	1.0
145.04927	1.0
145.06406	0.5
145.10121	19.6
147.11656	2.9
148.82339	0.4
149.09554	0.4
149.13257	2.8
151.11203	0.4
153.12675	0.5
159.11678	2.1
161.13289	1.9
163.05997	0.8
163.11176	37.8
163.14818	1.5
164.11520	0.6
173.09624	0.8
173.13275	2.0
175.14833	0.7
177.16338	0.6
181.12227	6.4
187.14755	1.1
191.10692	0.5
201.16344	0.6
209.11725	1.5
227.12769	49.4
228.13138	0.8
243.21057	2.2
259.20490	0.5
261.22153	8.5
283.15390	57.6
284.15646	0.9
299.23572	0.7
317.24731	2.0
333.24179	0.5
335.25787	100.0
336.26126	2.9
469.33258	0.8
543.36792	93.2
544.37097	3.9
561.37823	1.1
758.27618	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	2.5
67.05503	36.4
69.03424	2.5
69.07067	10.1
71.08611	2.8
71.58224	1.6
73.02921	1.6
76.43406	1.1
79.05492	36.6
81.03404	4.2
81.07052	37.1
82.07356	1.2
83.04971	5.8
83.08599	4.5
85.02886	4.5
85.06546	2.2
91.03956	3.1
91.05479	27.6
93.07043	41.2
95.04945	10.1
95.08605	22.4
96.08921	1.2
97.02890	3.9
97.06512	3.1
97.10149	3.1
105.07030	20.6
107.04953	2.8
107.08596	14.6
109.06523	2.8
109.10171	7.1
111.08080	1.5
117.06991	5.5
119.08566	14.1
121.06540	1.3
121.10126	8.2
123.08049	2.9
123.11726	2.5
125.09611	1.9
129.05470	4.9
129.06973	4.9
131.08560	5.3
133.10123	6.7
135.11674	4.6
143.08578	3.7
145.10069	5.7
147.11662	17.0
149.13298	1.6
157.08638	1.8
157.10114	1.3
159.11707	1.7
161.13268	3.2
163.06052	1.8
163.11201	1.2
171.11647	9.6
173.13348	1.5
189.12733	3.2
207.13763	7.4
227.12570	1.7
247.01950	1.2
261.22055	3.7
272.89322	1.2
279.15903	1.3
281.17459	23.9
281.20349	2.2
284.15942	1.2
301.16492	8.2
302.16806	8.4
303.17017	3.5
313.27496	6.2
314.27679	5.4
315.27936	1.9
335.25809	41.2
425.31549	1.3
532.45490	1.2
539.38855	1.4
540.39832	4.5
541.38928	100.0
542.39380	3.5
559.39734	1.3
658.34839	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5727
Annotation	Unknow
Peak:m/z	Relative Intensity
63.43097	1.8
67.05507	34.1
69.07066	7.4
69.60182	14.5
71.04990	16.5
71.08636	19.6
72.64650	1.9
79.05501	5.7
81.07055	64.0
83.08607	12.2
85.02898	8.5
85.06530	7.0
85.10196	10.9
91.03976	5.2
91.05460	10.7
93.07032	10.7
95.08607	19.2
97.02885	5.6
97.06542	2.5
97.10185	5.7
105.07024	6.2
107.08581	5.0
109.10167	11.2
117.07034	2.4
121.10146	3.1
123.11699	9.0
127.03889	3.0
133.10106	11.2
137.70006	2.0
149.13243	3.5
151.11214	4.4
154.74594	2.2
159.11774	2.5
175.50240	2.1
177.12706	2.2
187.13295	4.8
195.14017	2.0
269.17426	5.7
269.68073	2.7
301.20135	16.1
313.27350	16.2
319.87015	2.4
481.38843	72.7
507.40543	6.0
539.43091	100.0
540.43658	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	893.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	0.5
67.05504	3.4
69.00014	0.5
69.03432	3.6
69.07066	1.1
71.04990	0.6
71.57848	0.6
73.02908	3.0
79.05087	0.5
79.05466	2.9
80.61774	0.5
81.03425	1.5
81.07048	3.6
83.08634	0.7
85.02894	5.9
91.03951	2.8
91.05492	1.3
93.07043	2.9
94.02185	0.4
95.04978	0.5
95.08638	1.7
97.02900	5.2
97.06558	0.6
99.04482	1.0
101.02401	2.0
107.08614	1.9
109.02838	0.7
109.10181	0.8
115.03943	1.0
121.10168	0.8
127.03925	1.3
127.33259	0.4
128.68774	0.5
131.08589	0.8
133.10126	0.5
135.11655	0.6
145.05000	0.9
149.13312	1.6
159.11697	0.7
161.13065	0.4
185.04271	1.1
189.05399	0.5
203.05283	0.9
229.24776	0.5
230.14081	0.4
235.13089	0.6
243.08421	2.3
291.15591	0.5
309.19354	0.6
347.09607	2.2
353.39249	0.5
366.91006	0.5
405.13623	5.6
453.20908	6.8
464.70551	0.5
519.29352	3.6
615.26208	6.6
653.90997	0.5
681.34698	4.1
694.98102	0.5
723.37720	0.6
731.43219	1.8
893.48572	100.0
894.48889	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	898.536
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03903	0.6
67.05500	19.2
69.03432	4.5
69.07064	8.2
70.00176	2.1
70.04181	0.8
71.01322	0.6
71.04957	1.7
71.08630	17.8
73.02914	6.4
77.70861	0.5
79.05486	12.9
81.03418	8.1
81.07050	17.2
82.04196	3.7
83.01301	0.6
83.04981	6.5
83.08611	9.9
84.02086	0.8
85.02900	11.8
85.06498	1.2
85.10173	10.5
87.04438	1.1
89.05995	1.2
91.03944	6.9
91.04992	0.5
91.05474	8.4
93.07043	7.9
95.04960	7.0
95.08602	16.5
96.05740	0.5
97.02882	7.6
97.06515	3.8
97.09559	0.6
97.10160	11.6
98.07309	3.9
98.20812	0.6
99.04414	0.9
99.08055	1.0
99.11654	0.5
100.49724	0.4
101.05988	0.9
103.03915	0.7
103.07529	1.1
105.07026	4.4
107.04951	2.6
107.08593	5.6
109.02830	0.8
109.06470	1.5
109.09469	0.6
109.10148	9.8
111.04403	0.7
111.08100	2.8
111.11652	0.6
113.05930	0.6
115.05350	0.7
115.07559	0.7
116.04699	11.2
117.06965	1.4
118.98885	0.5
119.08576	3.6
121.06452	1.4
121.10116	3.0
123.08076	3.2
123.11688	2.6
125.08776	0.7
125.09628	10.7
127.03885	2.8
127.11142	0.9
129.05472	27.8
129.06863	2.4
131.08557	2.8
133.10121	2.8
135.08009	1.6
135.11658	1.7
136.08798	1.0
137.09592	1.2
137.13263	0.6
143.07022	6.9
145.04947	2.7
145.10062	1.6
147.11679	3.1
149.09549	1.4
153.09061	0.8
153.12669	0.6
157.08611	12.6
157.10033	2.1
163.06058	2.7
163.11174	2.4
165.12775	1.1
171.06488	1.8
171.10150	4.6
173.09502	0.5
173.11685	0.8
174.10422	0.4
175.11142	1.4
181.12206	0.7
185.08063	0.6
185.11703	1.2
189.09579	0.7
189.11195	8.1
193.12321	2.3
199.09767	0.5
199.13223	3.8
200.14055	1.5
209.11731	1.1
210.12506	0.6
211.13184	1.3
213.11215	0.8
216.96339	0.5
221.22566	0.6
227.12769	9.5
229.14377	1.2
239.23708	2.6
255.15869	1.8
257.24652	2.0
263.33661	0.4
267.15936	4.9
269.17310	0.8
283.15482	2.6
284.16125	0.8
285.16751	0.5
301.16434	100.0
302.16809	2.8
311.22144	0.6
313.27347	65.9
314.27649	2.0
367.28366	3.3
381.30026	0.7
395.31509	1.7
396.08722	0.5
437.36392	0.5
438.36911	2.2
455.37454	0.7
464.23425	0.5
467.37576	0.7
505.38837	4.2
521.38495	1.5
522.39166	2.0
523.39905	0.7
539.39398	66.7
540.39691	3.6
576.58325	0.5
695.23853	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	39.1
69.03419	4.2
69.07072	10.1
71.04995	3.2
71.57817	1.4
71.58276	2.4
73.02910	2.9
79.05487	22.7
81.03413	2.9
81.06582	2.3
81.07054	37.8
81.90150	1.4
83.04973	5.5
83.08614	3.1
85.02912	6.6
85.06522	3.5
91.03952	3.6
91.05479	28.0
93.07040	27.9
95.04947	4.9
95.08608	17.7
97.02873	4.2
97.06513	3.2
97.10213	2.1
105.07034	20.0
107.08588	25.1
109.06515	4.5
109.10154	35.5
113.05981	2.1
117.07028	2.9
119.08598	6.9
121.10154	5.3
123.11701	7.0
127.03896	1.8
131.08594	3.8
133.10124	46.8
135.11679	5.8
137.09709	1.4
138.05882	1.3
149.13225	2.9
151.11177	21.5
159.11696	1.8
161.09581	2.2
163.06081	2.1
163.14790	1.8
169.12239	4.4
184.07408	1.3
186.05342	1.3
215.12761	2.4
217.19283	1.3
226.96379	1.4
243.21277	1.8
253.14346	100.0
261.22131	11.4
271.15424	28.4
279.23111	1.6
295.17365	1.4
316.72815	1.2
317.24658	2.6
335.25781	46.7
398.17154	1.4
421.42953	1.4
513.35760	7.6
531.36835	60.2
532.36481	1.6
549.37805	1.6
600.66443	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	1.3
69.03429	3.5
69.07066	0.7
70.89335	0.8
71.04994	1.3
72.73565	0.4
73.02923	3.0
79.05504	1.5
81.03417	5.5
81.07064	2.2
82.99660	0.4
83.04977	1.0
83.08628	1.0
85.02900	7.4
87.04459	0.8
91.03953	3.1
91.05500	3.1
93.07030	1.9
95.04984	2.3
95.08630	1.3
97.02892	5.9
97.06541	0.6
98.56685	0.4
101.02412	1.7
105.07034	2.0
107.04980	0.6
107.08603	1.2
109.02911	1.1
109.06558	0.7
109.10143	0.6
111.08137	0.8
115.03985	0.4
117.07018	0.4
119.08573	2.3
121.06528	0.5
121.10168	1.0
123.04445	0.4
123.08170	0.5
127.03907	2.4
129.07033	1.2
131.08588	1.2
133.06500	0.5
133.10156	1.5
137.05997	1.1
145.10156	0.5
147.11737	1.5
149.09676	1.0
153.01891	0.8
157.10181	1.1
161.06001	0.6
163.07570	0.5
167.07106	0.8
175.11234	0.8
185.04182	0.5
193.12245	2.1
203.05304	0.7
211.13367	1.1
225.14949	0.5
243.08472	2.2
251.12570	0.4
267.16003	0.8
283.15234	2.5
307.15433	0.8
339.18039	0.5
347.09473	1.9
365.10626	1.2
405.13678	6.8
405.18637	0.6
462.29059	0.5
469.20468	7.4
501.23053	8.2
550.19849	0.5
567.31793	0.4
631.25677	6.7
663.28503	6.3
671.01532	0.4
729.36670	2.2
841.89014	0.5
891.41931	100.0
892.42456	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
62.24206	1.4
63.66442	1.3
65.03927	3.1
66.42151	1.2
67.05499	62.3
68.34399	1.3
69.03417	3.0
69.07063	16.4
71.04976	5.2
71.57989	1.5
73.02901	3.6
79.05488	45.3
81.03406	4.7
81.07050	88.4
83.04988	6.5
83.08614	13.4
85.02899	16.3
85.06536	3.9
87.79615	1.2
89.69312	1.3
91.03962	10.1
91.05472	28.1
91.06016	2.2
93.07031	56.4
95.04967	7.7
95.08597	37.9
95.09171	2.8
97.02902	8.3
97.06510	6.7
97.10165	4.1
99.08052	2.3
105.07016	16.4
107.04904	1.2
107.08588	30.0
109.02917	1.5
109.06487	2.8
109.10149	15.4
111.08060	4.1
112.61200	1.5
117.07011	10.3
119.08575	9.6
121.06510	1.9
121.10133	20.5
123.08087	2.2
123.11674	6.5
125.09630	3.4
127.03902	2.3
131.08537	12.2
133.10129	14.8
135.07993	1.6
135.11690	13.5
145.04941	4.1
145.10147	8.5
147.11685	6.3
149.13249	13.6
157.10141	1.8
159.11656	9.6
161.13252	4.1
163.06055	2.4
163.11177	1.3
163.14879	2.4
171.11818	1.6
173.11871	1.9
173.13264	6.1
177.12746	4.0
180.08513	1.3
185.13229	1.4
187.14809	1.7
195.13759	10.6
213.14882	2.9
229.14337	2.4
236.96144	1.6
243.21085	2.9
261.22174	10.0
267.15881	2.8
269.17456	80.8
317.24622	3.2
324.81613	1.5
335.25772	69.5
437.33975	4.6
455.35123	1.6
490.70837	1.5
529.38831	100.0
530.39038	5.9
547.40460	2.4
767.54468	1.9
810.90149	1.4
888.49048	1.5
924.06598	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
62.00688	2.0
65.03940	6.8
67.05506	100.0
67.07867	2.0
68.86560	2.0
69.03423	8.0
69.07063	27.7
69.37959	17.8
69.38381	4.8
71.04998	5.8
73.02908	3.6
79.05492	54.4
81.03416	18.2
81.06339	2.7
81.07055	68.6
81.51148	2.3
83.04968	12.7
83.08618	14.4
85.02907	16.6
85.06548	7.7
87.04472	5.8
91.05485	42.9
91.06020	4.3
93.07043	50.9
95.04988	15.0
95.08598	31.3
95.81680	1.9
97.02881	5.7
97.06525	15.1
97.10182	13.2
98.20718	2.3
99.04446	3.9
99.08102	4.5
103.05476	3.1
105.07032	24.5
107.04973	11.6
107.08594	41.0
109.06521	8.7
109.10148	55.5
111.04443	2.7
111.08107	7.1
116.50797	2.0
117.07011	16.6
119.08592	19.9
121.06518	4.6
121.10135	18.9
123.08068	3.4
123.11687	5.9
125.09624	14.5
129.05438	5.2
129.06998	5.3
131.08536	18.5
133.10121	12.7
135.08081	5.0
135.11699	19.5
137.09616	6.9
143.10695	2.5
145.10204	12.5
147.11703	7.3
149.09613	11.8
149.13261	10.0
150.20676	2.0
151.11205	3.6
153.12784	4.4
157.10118	4.2
159.11708	13.5
161.09604	2.4
161.13252	3.8
163.11139	12.0
165.12733	2.5
169.10159	2.2
173.11737	15.7
173.13211	4.7
177.12779	6.2
181.12219	3.9
184.07346	2.6
189.11314	3.2
191.10693	4.4
193.12210	3.3
195.13789	5.1
199.13277	8.4
209.11755	6.7
223.13016	2.3
227.12856	9.1
229.14388	37.2
255.15958	7.6
257.19043	5.3
261.22150	2.7
265.14212	2.7
267.15750	5.2
269.17465	28.6
275.20032	22.7
283.15356	5.2
301.16501	6.9
335.25809	3.9
349.23843	13.4
399.23978	11.6
409.25833	8.5
423.27249	27.9
495.29581	3.4
503.33511	10.4
529.38684	6.3
575.35657	2.6
579.35254	4.9
593.36902	27.6
673.42963	2.6
792.05780	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.9
67.05502	56.9
69.03421	2.8
69.06718	1.6
69.07067	15.1
69.66367	1.0
71.04986	4.4
71.08612	1.0
73.02916	3.1
79.05492	35.1
79.99068	0.9
81.03403	3.6
81.07055	69.7
82.07390	1.3
83.04979	3.1
83.08616	12.9
85.02901	13.9
85.06528	2.2
91.03976	6.7
91.05483	22.0
92.93114	0.9
93.07040	47.1
94.56745	1.0
95.04971	6.6
95.08604	31.8
97.02884	7.7
97.06509	5.5
97.10172	3.2
99.08073	1.7
105.07021	12.3
107.07876	1.3
107.08592	27.0
109.06512	1.4
109.10149	11.6
111.08094	3.3
117.07006	7.5
119.08572	7.3
121.06474	1.2
121.10140	16.2
123.11688	6.9
125.09582	1.5
127.03918	3.9
131.08559	10.1
133.10118	13.0
135.08069	2.5
135.11693	11.7
137.13231	1.6
141.79129	0.9
145.04968	3.3
145.10120	3.8
147.11699	4.7
149.13251	13.3
151.11244	2.0
159.11705	10.5
161.13246	2.8
163.06015	4.2
163.14732	1.6
171.11774	1.3
173.13300	2.8
177.12785	2.8
187.14825	1.4
195.12067	1.2
195.13829	8.3
201.16483	1.3
213.14769	2.4
243.21082	2.9
261.22070	10.1
267.15930	1.8
269.17465	66.1
317.24701	2.8
322.51959	1.1
335.25784	69.6
336.26102	2.3
437.34210	3.2
455.35318	1.8
529.38855	100.0
530.38959	4.9
547.39893	2.9
571.28406	1.1
731.06012	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
62.43595	1.1
65.03942	2.8
67.05501	64.4
69.03404	1.8
69.07064	19.4
69.51968	9.5
71.04978	4.6
73.02917	3.2
74.22524	1.0
79.05486	37.7
81.03402	3.7
81.07051	71.1
83.04975	4.5
83.08624	11.5
85.02896	11.8
85.06535	2.7
91.03939	6.0
91.05473	22.5
93.07040	52.1
93.41094	1.1
95.04969	7.0
95.08597	33.3
97.02879	4.7
97.06530	8.2
97.10166	3.3
98.20752	2.1
99.08086	2.6
105.04501	1.6
105.07028	13.1
107.07864	2.1
107.08587	30.6
109.06525	3.0
109.10144	13.1
111.08080	4.8
117.07005	7.4
119.08578	10.7
121.06553	1.2
121.10138	22.4
123.08103	1.6
123.11699	4.4
125.09663	2.1
127.03870	2.0
129.07079	1.1
131.08553	12.7
133.10156	9.8
135.08083	1.2
135.11668	13.4
145.03365	1.3
145.04927	3.7
145.10106	4.5
147.11699	5.6
149.13251	23.4
154.66965	1.0
159.11694	12.1
161.13303	2.3
163.06026	2.1
163.14734	1.4
165.12747	1.5
171.00246	1.1
173.13252	3.6
175.14850	1.5
177.12749	5.3
187.14780	2.2
195.13791	9.4
201.16209	1.2
229.14378	1.8
243.21120	3.4
251.51611	1.1
261.22159	11.2
267.15909	3.7
269.17450	99.4
270.17822	2.4
317.24805	2.1
333.24319	2.2
335.25778	63.1
336.26047	4.0
437.34186	2.7
455.35059	1.6
462.35547	1.3
529.38861	100.0
530.39185	8.4
547.39703	3.2
883.13953	1.3
888.50159	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	886.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
61.80998	0.9
65.70271	1.1
67.05499	16.4
69.03412	3.1
69.07069	3.5
69.50679	5.7
69.51110	3.7
71.05006	2.7
71.63443	1.0
79.05486	15.9
81.03413	69.2
81.07049	18.3
83.04990	9.2
83.08611	17.0
85.02909	9.2
85.06529	1.1
88.41035	1.1
91.03934	2.1
91.05476	17.6
93.07029	11.1
95.04966	23.8
95.08578	6.8
97.02884	3.9
97.06540	2.7
97.10130	5.7
100.64796	1.1
105.07020	12.7
107.04941	7.2
107.08569	7.8
109.06491	5.2
109.10146	2.9
111.04446	1.2
111.08072	7.7
113.05986	1.3
115.05447	2.0
117.06989	1.9
119.04934	1.3
119.08592	10.6
121.06497	4.3
121.10141	6.7
123.08094	1.7
125.09636	2.3
129.07008	9.6
129.28394	1.1
131.04980	1.1
131.08557	10.4
133.06514	3.0
133.10127	5.4
135.08070	1.3
137.09618	1.9
142.07803	1.5
143.08623	1.3
145.06540	5.1
145.10136	2.0
147.08035	4.0
147.11668	8.7
149.09625	4.7
155.08568	1.6
157.10141	11.5
159.08145	1.1
163.05945	1.5
163.11197	2.6
165.12764	2.1
171.11671	1.6
175.11189	10.3
193.12231	28.4
195.11885	1.2
199.11244	1.3
199.53148	1.2
211.13240	10.0
249.14938	2.2
255.13824	2.5
267.15897	100.0
268.16226	1.7
273.14841	4.1
285.16891	13.9
321.22244	1.0
339.23038	1.7
349.21664	3.1
367.22662	7.8
385.23651	10.8
403.24792	4.0
433.25854	17.6
441.26276	7.8
459.27386	75.4
460.27710	3.9
477.28455	46.1
478.28790	2.4
501.28586	1.6
509.63239	1.6
519.29346	1.8
561.45789	1.2
567.29449	1.5
585.30615	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.496
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	2.8
69.03431	3.1
69.07066	0.9
69.98173	0.3
71.04996	0.7
71.08633	1.7
71.58206	0.7
73.02914	3.2
79.05485	2.1
79.52599	0.3
80.13336	0.3
81.03413	2.4
81.07060	3.9
83.04990	0.6
83.08633	1.6
84.50066	0.4
85.02147	0.4
85.02899	6.3
85.10189	0.8
91.03946	3.6
91.05472	2.5
93.07044	2.7
95.04971	1.0
95.08617	2.3
97.02881	5.5
97.06517	0.4
99.04483	1.4
101.02398	1.5
105.07067	1.3
107.08608	0.8
109.02930	0.4
109.10168	1.0
113.56917	0.4
115.03934	0.5
119.08615	0.7
121.10196	0.9
127.03918	1.8
131.08563	0.5
133.10164	0.9
145.05054	0.5
147.11751	0.7
157.10110	0.5
159.11696	0.5
175.11192	0.5
185.04326	0.8
193.12277	0.6
211.13393	0.9
229.14505	0.4
243.08434	1.8
243.21252	0.4
251.12737	0.6
267.68994	0.4
269.17447	1.7
305.71939	0.4
307.15256	0.5
313.27545	0.8
335.25699	2.4
347.09616	1.6
365.10703	1.0
405.13663	4.4
405.18506	0.5
467.04373	0.4
469.20358	6.2
469.26199	0.6
497.30911	3.5
529.38757	3.8
631.25830	6.3
659.36047	3.7
725.44452	1.9
887.49658	100.0
888.49896	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	882.541
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03954	1.2
67.05502	13.0
69.03429	2.0
69.07065	6.2
71.05000	2.2
71.08631	16.2
71.19521	1.8
71.19861	1.2
73.02916	2.2
79.05487	10.5
81.03414	21.6
81.07051	17.7
83.04974	6.4
83.08615	14.6
85.02900	17.5
85.10174	9.6
87.04431	1.0
89.06000	1.1
91.03967	4.0
91.05476	12.1
91.96409	0.9
93.07025	6.3
95.04967	10.4
95.08050	1.4
95.08603	14.7
97.02882	3.6
97.06513	1.3
97.10166	3.6
105.07030	8.4
106.15182	0.8
107.04949	2.9
107.08580	3.5
109.06542	0.9
109.10153	4.3
110.90946	0.8
111.08089	4.2
111.11737	1.1
119.08555	6.4
119.32106	0.9
121.06487	0.8
121.10161	3.0
123.08067	1.4
123.11704	1.0
125.09612	1.2
127.03903	2.7
129.07014	3.6
131.08559	5.5
133.06557	0.9
133.10124	4.3
142.07764	1.4
145.04971	1.7
145.10139	1.0
147.08035	1.6
147.11673	5.5
149.09645	1.3
157.10114	6.9
163.06021	2.3
165.12735	1.4
171.90756	0.8
175.11215	5.5
188.64569	0.9
193.12234	17.9
204.09145	0.9
211.13290	22.4
211.82397	0.8
239.23674	1.4
267.15866	11.9
285.16968	33.5
313.27353	69.7
314.27682	1.4
478.20386	1.1
505.38809	17.5
523.39923	100.0
524.40485	3.9
707.13727	1.0
718.49799	1.0
808.08624	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
65.95425	0.6
69.03430	2.7
69.26791	1.5
69.27195	6.3
71.08662	0.9
73.02921	2.5
79.05476	0.8
81.03427	1.8
81.07054	1.3
83.01385	0.7
83.08607	1.2
85.02904	5.8
85.10174	0.7
91.03964	3.1
91.05492	0.8
93.07095	1.0
93.73802	0.6
95.08636	0.7
97.02892	4.1
97.25800	0.6
101.02390	0.9
102.09425	0.6
102.48576	0.7
107.08659	0.8
107.41730	0.7
109.10162	0.8
115.03973	0.9
127.03946	1.9
149.09628	0.8
163.11256	0.9
185.04208	1.2
235.44684	0.7
240.95210	0.7
243.08495	2.2
313.27335	1.3
347.09497	1.3
405.13766	4.1
467.18765	6.4
497.31015	3.1
629.24084	6.3
631.52338	0.7
659.35962	4.6
723.43127	0.9
885.48102	100.0
886.47760	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	880.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	11.9
63.74495	1.2
67.05501	20.7
68.79839	1.3
69.03421	6.5
69.06724	1.6
69.07068	17.5
69.24713	2.2
69.25110	14.6
69.72559	1.3
71.04987	3.3
71.08620	2.4
73.02921	2.9
77.52483	1.3
79.05488	16.7
81.03414	44.1
81.07045	30.4
83.04974	10.1
83.08611	26.2
85.02900	25.4
87.86848	1.6
91.03943	6.5
91.05476	18.0
93.07039	18.6
95.04956	12.7
95.08600	15.5
97.02895	8.5
97.06527	3.0
97.10158	9.4
98.21499	3.2
100.82949	1.3
105.07017	11.6
107.04956	2.8
107.08575	7.5
109.06509	2.2
109.10160	6.5
111.04435	1.7
111.08094	7.8
117.07007	1.7
119.08558	10.1
121.10128	13.4
123.08026	3.5
123.11678	3.0
125.09637	2.0
127.03925	2.5
129.07007	6.3
131.08549	7.3
133.10118	7.3
135.11702	5.6
137.13223	2.3
144.80057	1.3
145.04951	2.3
145.10129	1.5
147.08098	2.6
147.11679	10.6
149.09612	4.3
149.13202	1.9
157.10098	9.4
163.06036	2.9
165.12747	2.0
175.11166	11.2
184.07404	3.0
193.12250	31.1
211.13286	42.8
212.13626	1.5
216.37613	1.4
219.21194	1.8
252.27487	1.3
267.15872	16.2
281.35233	1.4
285.16943	59.5
311.25781	62.0
312.25992	2.5
374.87192	1.5
503.37228	13.3
521.38330	100.0
522.38861	5.1
880.50214	3.8
889.80719	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
62.33064	0.8
65.03952	1.0
67.05503	19.0
69.03419	3.9
69.07074	8.2
70.00221	4.7
71.04971	3.3
71.08244	0.9
71.08629	15.1
73.02914	3.3
79.05484	13.3
81.03417	37.3
81.07049	21.4
82.70380	0.9
83.04979	9.1
83.08614	19.0
85.02903	24.6
85.06524	2.0
85.10175	10.2
91.03952	6.8
91.05476	17.6
93.07043	8.8
95.04955	15.2
95.08595	16.7
97.02872	7.6
97.06515	1.7
97.10177	5.3
99.04453	1.1
99.08070	1.4
99.11719	1.0
105.07035	11.8
107.04942	3.9
107.08578	3.5
108.37316	0.8
109.06507	3.4
109.10142	5.8
111.04436	1.5
111.08069	6.0
113.05982	1.4
115.05403	1.3
118.13731	0.8
119.08575	11.3
121.06501	1.1
121.10142	5.6
123.08041	1.5
123.11722	3.6
125.09644	1.1
127.03905	2.5
129.07007	5.9
131.08572	6.8
133.06503	1.6
133.10123	6.6
142.07759	1.8
145.04974	3.6
145.10167	0.9
147.08046	1.9
147.11685	10.0
149.09615	5.8
157.10117	9.3
163.06015	2.5
165.12758	2.4
175.11163	6.9
193.12241	28.3
211.13271	44.8
215.64575	0.9
239.23726	2.3
247.34729	0.9
249.15039	0.9
257.24847	1.2
267.15927	14.8
285.16943	64.1
286.17352	1.2
313.27350	65.3
314.27701	2.3
377.29608	1.1
505.38864	14.8
523.39911	100.0
524.40265	3.0
588.37811	0.9
754.38696	1.0
785.60883	1.0
895.72363	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	10.3
67.05502	11.8
69.03419	2.0
69.07056	6.7
69.34437	7.8
71.01342	1.0
71.04972	2.6
71.08627	17.1
73.02899	2.8
79.05482	9.4
81.03408	7.9
81.07050	16.9
81.22387	0.7
83.01318	5.9
83.04978	5.4
83.08618	13.1
84.70860	0.9
85.02897	14.3
85.10174	10.6
89.06017	1.6
91.03949	7.3
91.05466	7.9
91.46727	0.8
93.07041	14.8
95.04946	4.5
95.08601	14.5
97.02885	7.8
97.06521	2.5
97.10153	3.2
98.20715	1.4
99.04448	2.6
99.11719	1.1
103.07540	1.1
105.07027	4.8
107.04952	4.4
107.08589	8.0
109.06492	4.2
109.10165	5.5
111.04421	1.8
111.08091	0.9
111.11732	1.2
112.53070	0.8
117.07038	5.0
119.08575	5.6
121.06493	2.5
121.10131	4.7
123.08038	7.1
123.11694	3.2
125.09640	0.9
127.03909	3.2
129.07043	1.2
130.07780	0.9
131.08534	1.8
132.52919	0.7
133.10107	1.2
135.08115	0.8
135.11696	7.7
137.09636	1.2
137.13234	0.9
145.04948	3.2
145.10124	10.6
147.08018	1.3
153.12721	2.0
155.08543	1.3
163.05986	3.2
163.11165	13.5
164.12871	0.9
173.09537	1.6
181.12155	1.8
191.10631	2.0
209.11725	4.7
227.12810	2.5
239.23625	2.3
257.24673	1.2
283.15378	100.0
284.15784	2.3
313.27338	74.4
314.27744	2.8
413.62091	0.9
521.38342	51.0
522.38751	2.7
705.81812	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	3.2
67.05501	12.8
67.65387	1.2
69.03410	2.3
69.07058	6.8
71.05000	1.9
71.08630	14.6
73.02899	1.9
79.05493	13.4
81.03424	3.1
81.07052	17.5
83.01336	2.2
83.04992	2.7
83.08618	9.8
85.02911	6.4
85.10182	9.9
91.03957	4.1
91.05464	5.0
93.07042	19.5
93.90554	1.5
95.04966	4.7
95.08606	26.6
97.02904	4.3
97.10149	4.9
99.04441	3.0
105.07025	3.9
107.04942	4.2
107.08588	15.9
109.06523	1.8
109.10161	6.4
116.34660	1.4
117.07004	5.8
119.08551	7.9
121.06499	3.5
121.10162	5.7
123.08042	1.5
125.06034	2.8
127.03926	1.9
133.10133	2.2
135.08092	1.9
135.11682	29.3
139.07530	2.5
145.04906	1.6
145.10114	18.5
155.08768	1.4
163.11165	36.8
181.12218	4.8
209.11809	2.1
227.12775	42.5
239.23598	1.7
257.24722	2.7
259.30710	1.4
283.15387	88.6
303.63034	1.6
313.27350	91.7
314.27609	2.4
416.07260	1.5
521.38361	100.0
522.38605	3.8
869.32245	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	1.3
69.03420	6.5
69.80811	5.2
79.05466	1.6
81.03399	3.8
85.02904	7.1
87.04465	1.6
91.05464	1.4
93.07043	2.8
94.06563	4.9
96.08134	4.8
97.02895	4.1
101.02359	1.1
107.07374	1.6
108.08114	10.3
109.02885	2.3
110.09691	8.8
116.70036	1.0
120.04469	2.4
120.08113	9.9
122.06017	8.3
122.09650	5.1
124.07562	1.5
127.03958	1.5
132.08073	1.2
136.07568	16.3
137.08357	1.0
138.05415	1.1
138.09134	14.4
146.06004	2.2
148.07556	7.9
150.09138	9.5
152.07040	3.4
153.01830	2.7
164.07027	2.2
166.08632	29.3
167.07205	1.0
172.03938	1.0
184.09943	1.3
187.20674	1.0
188.07164	0.9
190.04956	3.1
194.08072	1.3
196.09854	1.4
197.10741	1.2
204.06564	1.5
204.45670	0.9
209.10757	2.0
210.11366	1.2
212.09517	1.1
221.08415	1.0
221.10568	1.2
223.08606	1.5
223.12296	1.6
224.09444	1.9
225.10204	7.4
226.11047	1.8
227.11801	3.8
233.10780	2.6
234.11519	1.4
235.08678	1.6
235.12297	1.4
236.09384	3.4
237.10237	13.2
238.11014	1.9
239.11790	6.1
241.09583	1.5
248.09393	3.8
249.10193	10.3
250.10985	4.7
251.08163	4.3
251.11775	12.5
252.08969	2.1
252.12497	3.7
253.09705	8.8
253.12105	1.0
253.13306	1.1
254.10425	1.1
255.11264	5.0
261.10236	6.7
262.11041	2.6
263.08014	1.6
263.11792	9.8
264.08987	1.8
264.12549	1.1
265.09698	17.0
265.13458	1.6
266.10406	3.0
267.11264	13.0
268.12119	1.4
269.12857	1.9
271.10699	3.1
276.08850	1.8
277.09720	7.8
278.06683	2.2
278.10571	6.9
279.07718	2.9
279.11255	28.5
280.11978	4.1
281.09207	5.5
281.12857	3.7
282.09985	1.5
282.13312	1.1
283.10760	10.3
284.11526	1.1
285.12442	2.2
287.13986	2.3
289.09698	18.5
290.10400	2.9
291.11334	9.8
292.08517	1.0
292.12158	1.0
293.09213	9.8
293.12860	6.9
294.09970	5.4
294.13229	1.5
294.38660	1.1
295.10690	7.6
295.13635	1.2
296.11478	5.6
297.09210	0.9
297.12231	5.8
299.10339	2.3
299.13840	1.3
306.09894	2.1
307.10779	8.4
308.11465	3.2
309.12308	10.3
310.13000	1.4
311.10208	9.0
311.13812	4.4
312.10910	5.8
313.11728	6.3
317.09042	2.6
319.10577	1.9
321.08539	1.4
321.12228	1.4
323.10223	2.8
323.13986	3.5
324.10980	3.7
325.11780	9.1
326.12628	4.5
327.13394	10.7
328.14020	1.5
329.15155	1.4
330.16129	1.1
335.10248	28.2
336.10843	1.4
337.11752	7.1
339.13391	70.7
340.10428	5.2
340.14047	1.6
341.11224	6.3
341.15088	2.3
344.17264	1.8
349.12079	1.8
352.10419	2.7
353.11243	14.8
354.11914	7.8
355.12869	26.1
360.13129	1.3
367.12881	52.5
370.15286	1.4
381.14453	1.0
384.17120	1.4
397.05325	1.9
414.18323	1.3
418.17166	1.8
432.19281	1.5
442.17609	2.8
460.18896	6.7
470.16992	1.3
474.20615	1.9
477.47513	1.0
478.19675	1.6
488.18137	25.3
489.18634	1.2
492.21112	3.4
497.15564	2.2
506.19073	13.7
517.18298	2.2
520.20795	24.6
529.17664	1.4
622.23505	1.6
632.22363	2.0
641.25342	1.2
650.23425	12.0
654.26843	1.7
656.28052	1.3
664.24683	2.2
665.00482	1.2
682.26013	100.0
683.26404	6.0
714.28033	1.6
812.29022	8.7
826.29773	2.1
844.31299	81.4
845.31128	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	874.515
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02938	7.4
65.03955	1.2
67.05508	42.9
67.55732	1.3
69.07067	13.1
70.82892	1.4
70.83233	2.6
71.04987	2.6
73.02940	1.7
79.05499	42.2
81.03422	5.0
81.07060	34.3
81.07528	2.1
83.04996	5.7
83.08643	5.4
85.02915	6.8
85.06553	3.1
91.03962	3.6
91.05482	17.8
93.07046	49.9
95.04990	5.8
95.08613	25.7
95.09231	1.5
97.02907	3.3
97.06539	7.1
97.10194	6.2
100.28841	1.0
105.07036	10.4
107.08597	32.9
109.06526	1.5
109.10156	11.8
111.08078	1.6
117.07023	5.0
119.08584	10.2
121.06554	2.2
121.10149	16.4
123.11709	2.8
125.09637	2.3
127.03911	1.6
131.08618	5.6
133.10132	8.4
135.11702	39.8
138.76430	1.1
142.07883	1.0
142.09103	1.1
145.05029	2.4
145.10127	10.0
147.11711	4.3
149.13292	3.8
149.17181	1.2
153.12740	2.4
159.11734	4.3
161.13290	3.2
163.06116	1.5
163.11230	3.9
163.14807	1.2
166.25826	0.9
173.13300	3.1
175.14655	1.4
181.12228	6.7
184.07451	1.1
187.14769	1.9
199.13307	1.6
227.19908	1.8
239.28831	1.1
243.21104	3.4
255.15921	52.9
261.22171	14.2
317.24551	2.2
335.25800	47.1
336.26105	1.8
342.17041	1.1
406.24045	1.2
423.32507	2.4
441.33713	1.7
515.37341	100.0
516.37634	3.5
533.38287	2.9
577.74792	1.2
582.27313	1.3
867.84198	1.2
875.44769	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	872.5363
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	2.2
64.86033	2.0
65.03925	6.8
67.05503	94.7
69.03426	15.8
69.07065	59.0
71.01347	2.2
71.04979	5.3
71.57494	2.5
73.02892	2.6
74.99042	1.8
79.05490	76.5
81.03419	20.8
81.07053	100.0
83.04976	13.3
83.08614	19.9
84.43333	1.8
85.02882	8.3
85.06532	5.2
91.05477	65.6
93.07039	70.0
95.04961	18.2
95.08604	50.2
97.02911	10.6
97.06522	27.0
97.10151	14.2
99.04432	2.3
99.08092	6.2
105.04542	2.3
105.07032	51.0
107.04956	14.5
107.08594	38.5
109.02892	2.9
109.06508	9.3
109.10145	29.8
109.26639	1.7
111.04444	2.4
111.08057	11.0
115.05421	3.1
117.07012	21.4
119.08582	40.2
121.06496	4.7
121.10143	24.1
123.08050	8.3
123.11676	5.8
125.09579	9.8
127.03894	6.2
128.06221	2.9
129.05482	4.0
129.06993	7.6
130.07758	3.2
130.68564	2.0
131.08546	28.6
133.06482	4.3
133.10120	34.5
133.23524	2.1
135.08066	7.3
135.11687	21.2
137.09595	14.4
139.11186	2.4
141.06937	4.7
143.08536	9.6
145.10101	21.7
147.08008	4.1
147.11673	16.2
149.09604	31.1
149.13249	14.7
151.11154	6.9
155.08510	3.4
155.10645	2.8
156.09308	1.8
157.10129	6.8
159.11682	17.2
161.09552	4.9
161.13217	10.5
163.11183	14.1
165.08937	1.9
165.12744	2.2
169.10085	5.4
171.11652	5.7
173.04488	3.5
173.11722	8.4
173.13249	8.9
175.11119	5.7
177.12701	7.4
179.14305	6.5
181.95140	1.8
183.11635	4.3
184.07349	4.6
185.13271	3.5
187.11168	4.4
189.11267	3.6
195.11810	2.8
195.13797	7.2
197.13206	3.2
201.12776	2.5
201.16252	2.2
213.14648	3.4
215.14456	2.5
227.12784	7.1
229.14241	9.6
239.17917	4.7
243.15947	3.7
245.18877	1.9
247.20642	4.0
253.17880	3.4
255.15833	11.3
257.18976	11.9
267.15698	3.4
269.17416	24.4
273.18472	5.0
275.20053	47.6
287.20068	2.1
291.19437	7.6
293.21100	6.1
314.30405	2.0
331.22754	2.4
335.25754	3.8
349.23709	42.3
365.23169	5.9
367.24948	2.3
387.25095	2.6
409.25980	3.3
423.27332	8.3
445.29749	2.4
449.29218	3.2
504.37766	3.9
525.35760	2.9
529.34851	7.3
543.36853	23.2
623.42743	6.4
641.43732	3.0
692.45349	2.5
725.11816	2.7
779.61896	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58197	0.7
61.02914	2.1
65.03944	0.7
65.71255	0.5
67.05505	26.3
69.03455	2.7
69.07074	7.1
70.31677	0.6
71.04998	3.6
73.02898	1.3
77.28122	0.5
79.05498	16.3
81.03420	40.3
81.07057	31.4
83.04981	4.6
83.08623	12.6
85.02893	3.7
85.06537	2.4
91.03961	1.4
91.05482	14.9
93.07043	24.3
95.04967	15.5
95.08602	8.5
97.02900	3.3
97.06534	4.5
97.10173	2.0
99.04470	0.7
99.08079	0.8
105.07034	9.5
107.04959	3.4
107.08589	12.7
109.02863	0.9
109.06490	2.8
109.10135	2.6
111.04417	1.0
111.08088	6.6
113.09643	0.6
115.05453	1.1
117.07035	4.3
117.52039	0.6
119.04953	0.7
119.08586	7.2
121.06518	2.1
121.10146	8.7
123.04420	0.9
123.08072	1.5
123.11715	1.3
125.09619	0.9
127.03908	0.8
128.13210	0.6
129.07018	5.4
131.08557	7.0
133.06522	1.6
133.10135	7.1
135.08110	0.8
135.11681	2.8
137.05890	0.7
137.09647	0.8
139.11166	0.7
142.07796	1.2
145.04906	1.0
145.06552	0.6
145.10117	1.5
147.08063	2.4
147.11670	5.2
149.09639	2.6
149.13251	10.0
151.11166	0.9
154.31314	0.6
155.10307	0.5
157.10165	5.5
159.11700	5.2
163.06021	0.7
163.11160	1.1
164.52406	0.5
165.12715	1.2
167.07060	0.8
169.10110	1.0
175.11214	5.5
177.12766	3.2
193.12257	11.0
195.13824	3.2
211.13281	1.3
212.12009	0.6
213.14781	0.8
249.14958	1.2
267.15915	40.5
268.16382	1.3
269.17471	32.1
270.17838	0.7
301.14392	1.0
301.20062	0.9
369.24469	1.5
435.27188	2.9
443.28030	3.7
453.28461	2.0
461.28992	100.0
462.29373	4.5
479.29831	3.3
503.30200	3.0
511.32382	2.5
519.49927	0.6
557.31256	0.8
569.30975	1.3
587.32092	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5354
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	2.7
65.03939	5.5
67.05505	100.0
69.03436	11.8
69.07066	66.7
70.72535	2.3
71.04984	5.5
73.02891	2.5
79.05490	73.3
81.03416	17.5
81.07054	94.3
83.04991	14.7
83.08625	20.2
85.02903	8.4
85.06538	4.4
91.05483	75.0
93.07040	60.0
95.04970	21.0
95.08049	4.1
95.08608	48.3
97.02888	9.4
97.06524	25.4
97.10152	15.6
98.21634	3.7
99.04458	2.2
105.07030	51.8
105.16151	2.2
107.04955	11.6
107.08599	36.8
109.06536	10.0
109.10151	35.4
111.08092	7.1
113.09673	2.5
115.05492	3.1
117.07004	22.6
119.08573	39.2
121.06524	6.0
121.10155	21.0
123.08076	3.0
123.11722	3.9
125.09622	13.2
127.03925	3.2
128.06224	3.2
129.05487	3.2
129.06996	10.8
130.07838	2.6
131.08578	27.5
133.10127	32.7
135.08073	4.6
135.11711	17.0
137.09630	14.2
141.07010	2.9
143.08560	10.3
145.10118	22.6
147.08060	2.4
147.11662	15.2
149.09625	33.5
149.13229	7.5
151.11224	4.3
155.08575	7.2
157.08594	2.3
157.10104	10.0
159.11696	15.4
161.09656	2.5
161.13258	8.5
163.11205	13.7
168.09409	2.5
169.10150	5.6
171.10233	3.2
171.11714	7.6
173.11674	6.5
173.13269	10.0
175.11237	4.1
177.00703	2.4
177.12790	3.9
179.14336	7.7
181.10063	2.7
181.12268	2.7
183.11652	2.8
184.07376	3.2
185.13332	5.1
189.11206	6.1
189.12733	4.8
195.13800	3.1
197.13220	3.2
205.12195	3.2
208.43610	2.4
227.12787	10.8
229.14343	8.6
229.19492	2.9
239.18053	2.9
247.20624	3.6
255.15878	3.2
257.19025	15.3
267.15979	3.5
269.17426	12.2
273.18640	3.6
275.20038	39.6
291.19598	6.1
331.22583	3.6
349.23758	36.2
365.23364	2.6
369.80020	2.6
405.31085	2.2
423.27521	7.2
445.29385	3.0
503.33734	4.9
529.35376	4.5
543.36810	14.2
588.15808	2.6
592.51477	2.4
623.42822	7.8
659.84827	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	869.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	12.7
65.03889	7.7
66.29887	6.8
67.05497	86.8
69.03436	39.4
69.07066	25.8
71.04993	12.8
73.02926	7.7
79.05498	77.5
81.03422	100.0
81.07057	85.3
83.04984	30.2
83.08604	22.6
85.02896	37.2
91.03970	6.3
91.05484	70.5
93.07039	79.9
95.04977	33.2
95.08604	42.8
96.08121	8.0
97.02882	45.4
97.06548	10.0
97.10156	10.4
98.21706	10.7
105.07014	43.8
107.04964	13.0
107.08583	30.6
109.02870	17.5
109.06529	12.2
109.10145	22.4
111.04424	6.5
111.08067	6.7
117.07027	16.2
119.08562	47.2
121.10132	26.8
122.93677	6.7
123.11691	6.9
125.09668	8.5
127.03914	23.2
129.06987	15.2
131.08553	26.4
133.10132	24.5
135.11696	17.7
143.08525	8.5
145.10110	11.7
147.08018	8.6
147.11668	35.9
149.09644	9.4
157.10104	16.1
165.12740	8.0
175.11131	18.1
193.12241	57.2
201.12642	7.4
211.13257	76.8
229.14334	7.5
261.22012	13.8
267.15982	23.2
285.16992	19.7
335.25705	59.9
353.43594	7.0
355.17715	10.2
429.20996	11.6
479.29752	10.0
527.37146	13.2
545.38300	92.8
688.42358	6.6
689.42053	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	14.6
65.03931	3.2
67.05502	55.1
67.17976	1.0
69.03423	11.5
69.07069	14.8
69.31730	10.9
70.04209	1.2
70.06581	1.5
71.01353	2.1
71.04981	6.2
73.02906	8.9
77.03928	1.4
79.05490	48.6
80.05800	1.2
81.03415	94.8
81.06577	2.4
81.07056	45.6
82.04189	2.8
83.04979	29.1
83.08617	34.6
84.02114	1.8
85.02901	42.7
85.06532	3.5
87.04466	1.7
91.03947	11.8
91.05474	50.9
93.07038	30.0
94.07854	1.6
95.04962	47.6
95.08604	19.5
95.17242	1.2
97.02887	18.1
97.06534	9.4
97.10165	16.6
98.07303	5.5
99.04482	3.1
99.08089	3.3
103.05452	1.7
105.04572	1.2
105.06308	1.6
105.07025	33.7
107.04948	15.4
107.08591	19.8
109.02847	2.9
109.06510	7.5
109.10146	14.8
111.04458	6.0
111.08083	14.5
113.05991	2.7
115.05424	2.5
116.04704	13.7
117.07014	8.6
119.04896	1.3
119.08579	26.2
121.02855	1.1
121.06501	4.2
121.10139	14.4
123.04431	1.5
123.08047	7.6
123.11691	2.9
125.09628	18.7
127.03918	4.1
127.07542	1.3
127.11150	1.7
128.06180	1.3
129.05478	30.7
129.06961	12.6
131.04955	1.1
131.08563	20.7
133.06487	4.5
133.10123	19.6
135.08061	4.2
135.11667	6.2
136.08824	1.9
137.05975	1.9
137.09622	4.8
139.07544	1.7
142.07784	3.6
143.07066	6.5
143.08142	1.0
143.10657	2.2
145.04974	3.9
145.06477	1.2
145.10129	7.9
147.08066	5.6
147.11687	23.9
148.08720	1.1
149.09639	9.2
151.11230	2.4
153.09067	2.1
153.12770	2.8
157.08627	13.0
157.10136	21.8
158.05702	2.2
163.06038	3.6
163.11180	15.5
164.11871	1.2
165.12781	5.5
167.07082	3.6
169.05144	0.9
171.06509	3.9
171.10161	4.5
171.11528	1.2
173.09586	2.5
173.11829	6.7
173.13133	1.2
175.11188	23.5
181.12213	3.9
185.08130	1.5
185.11745	1.9
189.11198	9.8
191.10649	5.3
193.12236	82.9
199.13301	21.6
200.14140	1.9
209.11755	14.6
210.12566	2.3
211.13278	100.0
212.13750	1.4
217.14359	1.8
219.13776	1.6
227.12794	15.2
229.14394	5.3
241.14299	1.1
247.13272	5.7
249.14827	2.7
255.15894	2.5
265.14322	1.8
267.15887	34.4
267.18558	2.1
268.16318	1.1
283.15369	15.8
283.18448	1.2
284.16135	2.2
285.16956	71.0
286.17212	1.8
301.16455	68.8
322.39471	1.0
339.18060	2.2
385.23618	1.1
409.25809	7.9
421.25452	1.9
427.26816	7.1
435.27451	1.2
439.26886	24.7
458.27206	1.3
459.27567	4.9
461.29031	1.1
475.26788	3.7
476.27631	3.9
477.28598	5.0
493.27933	21.0
494.28842	8.6
511.29004	73.0
512.29071	3.4
655.32922	1.3
699.92114	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	11.6
64.81340	1.4
67.05168	2.3
67.05504	26.6
68.97812	1.5
69.03421	7.3
69.07067	8.0
71.01341	1.9
71.03017	3.3
71.04987	4.8
73.02933	7.4
76.06050	1.4
76.42090	1.3
78.04708	1.5
79.05495	29.7
79.54277	1.4
81.03416	26.0
81.07058	30.6
82.03745	1.8
82.04186	3.7
83.01335	6.9
83.04977	19.8
83.08605	13.2
85.02904	17.7
85.06564	2.1
91.03953	6.0
91.05482	21.3
93.07041	28.5
93.98163	1.6
95.04976	19.3
95.08603	9.7
97.02904	10.1
97.06545	9.4
97.10171	11.7
98.07300	3.8
105.07024	12.6
107.04956	13.2
107.08598	17.6
109.02845	3.2
109.06532	7.5
109.10152	11.0
111.04417	3.2
111.08063	4.3
115.05484	2.3
116.04697	10.4
116.17665	1.4
117.06979	7.8
119.08567	13.5
121.06518	4.4
121.10139	10.3
123.08031	7.8
125.09612	11.3
125.63969	1.3
127.03909	2.6
129.05466	24.5
129.07011	3.2
131.08580	7.9
133.10114	6.0
135.08041	4.0
135.11684	12.2
137.05946	2.1
137.09602	4.7
139.07506	2.1
143.07085	7.3
145.04953	2.5
145.06488	3.1
145.10114	18.4
147.08041	2.9
147.11671	5.9
149.09587	2.6
151.11298	1.9
153.12791	2.9
157.08577	9.7
157.10008	2.9
163.06046	4.0
163.11171	24.4
165.12738	2.4
167.07092	3.7
171.10172	3.6
173.09598	4.5
173.11700	1.8
175.11180	3.4
181.04906	4.0
181.12241	5.8
189.11176	5.9
191.10716	3.5
193.12169	4.9
199.13287	5.6
200.14018	3.4
209.11720	11.5
210.12500	1.6
211.13217	1.9
227.12762	12.2
228.82135	1.5
265.14291	2.5
267.15875	11.2
283.15384	78.6
284.16064	2.8
285.16876	2.4
301.16449	73.2
326.24240	1.7
337.16400	2.9
338.05252	1.7
383.22351	1.9
407.24426	2.2
425.25653	3.3
437.25201	8.3
457.25784	3.2
474.26163	3.2
475.26929	9.0
477.28287	2.9
491.26434	2.6
492.27161	8.1
493.28085	2.0
509.27405	100.0
510.27905	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	866.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	7.8
67.05504	35.5
69.07071	15.7
70.24140	5.7
71.04988	3.1
71.08634	16.6
73.02911	2.7
79.05492	17.5
81.06581	2.6
81.07048	43.3
83.04977	5.0
83.08615	13.5
85.02911	8.1
85.06512	2.4
85.10195	7.8
91.03939	4.0
91.05480	9.1
93.07041	31.8
95.04971	2.0
95.08599	18.2
97.02883	4.4
97.06538	6.6
97.10160	4.3
105.07031	3.1
107.08588	16.1
109.10181	7.4
111.08054	3.2
117.06988	4.1
121.10150	9.8
123.11717	2.8
125.91723	1.7
127.03892	2.2
131.08568	4.1
133.10101	3.1
135.11699	3.9
145.04933	2.0
145.88206	1.5
149.13260	17.2
159.11670	7.8
163.06042	2.6
177.12761	2.5
180.73915	1.5
195.13788	5.3
239.23669	1.6
247.71599	1.4
248.44345	1.4
269.17462	100.0
270.17746	2.9
313.27356	47.0
331.86917	1.6
406.22302	1.6
466.72534	1.8
507.40454	94.2
508.40466	5.1
640.77563	1.5
678.97882	1.5
759.12878	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	3.5
67.05498	5.8
69.03425	4.3
69.07059	2.2
69.31172	1.8
69.31503	17.2
73.02922	3.4
79.05494	5.5
81.03410	3.7
81.07053	6.4
85.02901	3.1
86.09715	4.6
91.03943	2.4
91.05458	2.4
93.07040	5.2
95.04988	3.2
95.08607	2.9
97.02902	4.5
97.06545	1.5
101.02382	1.9
105.07054	3.5
107.08609	2.4
119.08568	2.6
120.26552	1.4
124.99973	2.5
133.10159	1.7
184.07317	12.9
189.52786	1.4
243.08528	4.5
287.14496	1.5
333.20944	1.7
382.53256	1.5
439.19147	1.6
453.20959	2.3
551.28180	13.8
763.42194	2.0
845.70813	1.9
861.49652	100.0
862.49622	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	859.4807
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02924	4.0
67.05505	5.1
69.03420	2.7
69.07063	2.7
71.01364	1.3
71.04990	1.0
71.57475	1.6
73.02913	3.4
75.44170	1.0
79.05484	6.2
81.03435	2.7
81.07054	6.3
83.04967	2.8
83.08662	1.2
83.34844	0.9
85.02919	4.5
91.03975	2.1
91.05489	7.8
93.07043	4.3
95.04959	1.6
95.08614	3.3
97.02876	4.9
99.04469	0.9
101.02385	1.5
104.31586	1.0
105.07014	5.2
107.04991	1.1
107.08598	2.7
109.02902	1.5
109.10133	1.6
117.07030	1.6
119.08587	1.7
121.10094	1.0
131.08600	2.1
133.10095	5.0
135.11697	1.9
145.10136	1.3
165.34105	0.9
193.12300	1.1
197.37379	0.9
243.08478	3.8
244.37578	1.0
270.29871	0.9
331.18747	2.6
333.20432	1.9
439.19470	1.5
451.19522	1.8
472.69247	1.0
531.25726	3.1
549.26532	5.0
551.28339	10.1
623.30005	1.5
761.40973	5.8
790.42389	1.1
815.18939	1.0
841.47095	10.0
842.46814	1.7
859.48047	100.0
860.48511	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	861.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	3.6
65.03917	0.4
67.05501	4.5
69.03429	3.3
69.07065	2.3
70.63801	1.1
71.04995	1.0
71.69986	0.4
73.02908	3.1
79.05490	3.9
79.84834	0.4
81.03407	2.0
81.07059	6.3
83.05000	1.0
83.08617	0.9
85.02895	4.2
86.09708	1.0
91.03954	1.8
91.05482	4.2
93.07038	4.5
95.04988	1.2
95.08601	3.0
97.02875	3.4
97.03374	0.4
97.06531	0.8
99.04471	0.9
101.02402	1.7
105.07018	2.6
107.04916	0.5
107.08585	2.6
109.06551	0.7
109.10161	0.9
111.82437	0.4
115.03925	0.4
117.06956	0.7
119.08572	2.3
121.10156	0.8
123.11718	0.5
124.99988	0.6
127.03887	0.9
131.08603	0.7
133.10149	1.3
135.11696	1.1
145.10135	0.9
147.11674	0.9
149.13208	0.5
159.11743	0.8
184.07292	2.8
185.04257	0.5
203.05225	0.5
243.08403	2.6
259.07944	0.6
333.20416	2.3
389.22968	0.8
439.19424	2.1
443.32312	0.4
453.20901	1.8
551.28308	11.7
623.30969	0.6
665.34790	0.4
763.42828	1.1
767.02863	0.4
823.24420	0.4
861.49603	100.0
862.49738	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	859.4806
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02924	4.4
67.05500	8.0
69.03423	3.5
69.07069	4.1
69.33889	3.9
69.34312	6.3
73.02924	3.4
79.05489	4.8
81.03410	2.6
81.07056	5.1
83.04982	1.3
85.02912	4.2
86.09717	2.8
91.03933	2.7
91.05480	3.4
93.07069	3.7
95.04958	1.6
95.08578	2.6
97.02881	4.1
97.10191	2.1
101.02362	1.6
105.07018	3.8
107.08591	2.6
108.80854	1.2
109.10145	1.8
109.92035	0.9
114.49183	1.1
117.20013	0.9
119.08568	2.8
119.16703	1.2
121.10172	1.4
124.99976	1.6
125.09617	2.0
127.03951	1.6
131.08604	1.4
139.19388	0.9
145.10123	1.3
169.92235	1.0
184.07339	5.7
193.12137	1.5
223.13409	2.2
243.08444	4.1
253.60889	1.0
291.19577	1.8
304.05093	1.2
333.20502	1.6
402.18842	1.0
441.12003	1.0
549.27020	5.5
551.28412	5.9
859.48035	100.0
860.47943	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	859.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	4.4
67.05500	8.0
69.03423	3.5
69.07069	4.1
69.33889	3.9
69.34312	6.3
73.02924	3.4
79.05489	4.8
81.03410	2.6
81.07056	5.1
83.04982	1.3
85.02912	4.2
86.09717	2.8
91.03933	2.7
91.05480	3.4
93.07069	3.7
95.04958	1.6
95.08578	2.6
97.02881	4.1
97.10191	2.1
101.02362	1.6
105.07018	3.8
107.08591	2.6
108.80854	1.2
109.10145	1.8
109.92035	0.9
114.49183	1.1
117.20013	0.9
119.08568	2.8
119.16703	1.2
121.10172	1.4
124.99976	1.6
125.09617	2.0
127.03951	1.6
131.08604	1.4
139.19388	0.9
145.10123	1.3
169.92235	1.0
184.07339	5.7
193.12137	1.5
223.13409	2.2
243.08444	4.1
253.60889	1.0
291.19577	1.8
304.05093	1.2
333.20502	1.6
402.18842	1.0
441.12003	1.0
549.27020	5.5
551.28412	5.9
859.48035	100.0
860.47943	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	859.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	6.1
67.05481	1.8
68.65908	0.3
69.03426	4.8
69.07069	0.7
71.01362	0.5
71.04992	1.1
71.57948	0.4
73.02912	4.7
79.05480	3.0
81.03413	5.5
81.07048	2.9
83.04975	1.3
83.08624	1.2
85.02898	8.8
87.04436	0.4
91.03947	3.9
91.05481	3.5
93.07035	1.8
95.04951	2.0
95.08601	1.3
97.02884	6.0
97.03445	0.5
97.06490	0.5
99.04457	1.4
101.02378	2.3
103.03966	0.4
105.07018	1.9
105.76359	0.3
107.04967	0.8
107.08609	0.8
109.02898	0.9
109.06553	0.5
111.08064	0.8
113.06032	0.4
115.03990	0.6
119.08559	1.6
121.10141	0.7
127.03910	2.2
129.07034	1.4
131.08603	1.1
133.06522	0.4
133.10152	1.3
137.06052	0.4
138.31848	0.3
141.01706	0.3
142.07765	0.3
145.04848	0.4
147.11690	1.4
149.09747	0.6
157.10133	1.6
163.11208	0.4
171.81380	0.3
175.11166	1.8
185.04272	0.9
193.12282	2.6
203.05319	0.7
211.13368	1.3
212.13641	0.5
243.08478	2.4
251.12453	1.7
267.08633	0.4
269.12830	0.4
285.17099	0.7
307.15247	1.2
347.09454	3.0
365.10492	1.6
405.13672	5.5
421.14020	0.4
469.20425	14.5
535.29132	0.5
539.31818	0.4
631.25665	12.5
631.35754	0.7
632.26099	0.4
697.34174	2.1
784.35571	0.4
859.39240	100.0
860.39484	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	857.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03404	0.4
69.07059	0.6
70.06590	0.4
71.57049	0.6
81.03429	0.5
85.02905	0.5
91.05459	0.3
94.06561	0.5
95.04964	0.6
108.04456	2.3
122.06024	0.8
131.04942	0.3
138.05505	0.6
138.09160	0.4
140.07042	1.2
146.06013	1.3
148.07515	0.9
150.05467	0.7
153.01846	1.9
166.04971	1.1
168.06564	3.7
174.05511	0.9
181.08899	0.4
181.49651	0.3
192.06409	0.3
194.09737	0.3
204.06519	0.8
206.08173	1.5
211.08618	4.8
211.12291	0.8
212.09404	1.0
213.10207	1.1
221.10730	1.2
222.09145	1.4
223.08641	1.1
223.12263	0.5
224.11034	1.5
225.06744	0.3
225.10196	4.5
226.10771	0.8
227.08173	0.3
227.11810	0.5
229.09750	0.3
237.10172	0.4
238.11052	0.4
239.08014	1.1
239.11774	8.0
240.12555	0.7
241.09680	2.0
241.13326	0.8
242.10480	0.5
249.10352	1.0
250.08588	1.2
250.10934	0.5
251.08122	1.1
251.11855	0.5
252.08965	1.2
252.10146	1.0
253.09715	4.8
254.10423	0.7
255.11394	0.5
257.12900	1.0
267.11264	12.7
268.11948	0.4
269.12811	1.8
271.10080	0.3
278.08029	0.5
280.08453	0.6
281.09250	1.0
285.09311	0.3
285.12302	1.6
287.13751	0.5
295.10739	7.4
297.12350	1.1
298.10416	0.4
313.11798	36.3
314.12225	1.1
315.13315	0.5
323.10345	1.4
341.11304	12.2
342.11893	0.5
345.14484	0.5
355.12851	2.3
359.12341	7.3
373.13925	100.0
374.14337	2.7
485.66962	0.4
510.18860	0.4
517.17004	0.3
621.06396	0.3
627.24084	0.7
641.25415	0.6
645.25177	1.4
656.47034	0.3
659.26501	1.6
677.28357	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	5.1
65.03929	7.6
67.05502	100.0
69.03421	9.2
69.07059	46.6
69.30061	28.0
69.30482	12.5
71.04979	9.7
79.05486	70.0
81.03416	13.8
81.07059	99.6
83.04970	18.0
83.08611	17.4
85.02854	6.5
85.06512	6.3
91.05476	60.7
93.07036	89.4
93.95862	4.0
95.04954	18.3
95.08598	47.4
97.06512	15.2
97.10146	7.0
105.07022	48.5
107.04940	10.9
107.08588	47.4
109.06517	8.3
109.10165	19.3
111.08047	7.3
115.05373	3.8
117.07027	18.6
119.08580	34.3
121.10127	23.8
123.08037	4.8
123.11718	4.8
125.09597	7.2
128.06261	5.5
129.07040	7.4
131.08563	24.3
133.10136	23.9
134.60878	4.0
135.08061	7.4
135.11693	23.7
143.08566	10.4
145.10107	15.8
147.11687	11.9
149.09630	14.9
149.13234	14.0
159.11696	23.0
161.13254	6.6
163.11157	14.7
173.13289	5.9
175.11316	5.5
177.12773	6.5
179.14314	6.6
184.07318	7.3
195.13756	18.4
197.13293	5.4
222.43288	3.7
229.19690	5.2
239.18042	5.0
247.04468	4.0
255.15933	18.1
257.18954	11.5
269.17456	56.7
275.20111	42.3
349.23782	39.5
367.24734	11.8
381.60413	4.1
449.28937	35.3
463.30676	46.8
529.35394	9.7
543.36713	40.7
547.36115	5.0
561.37958	8.9
857.45178	6.5
888.01349	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	857.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07030	0.5
71.24171	0.4
78.06475	0.2
81.03374	0.2
85.02856	0.3
95.04950	0.4
108.04498	1.7
122.06003	0.7
129.57980	0.2
136.29803	0.2
138.05505	0.5
138.09079	0.3
140.07080	1.1
146.06006	1.1
148.07571	1.0
150.22899	0.2
153.01772	0.3
166.04996	0.5
168.06554	2.7
174.05450	0.7
194.09612	0.2
196.07567	0.2
196.11244	0.5
197.10687	0.3
198.09148	0.3
199.08549	0.3
204.06581	0.4
206.08104	0.9
210.07751	0.4
211.08644	4.0
211.12218	0.9
212.07231	0.2
212.09366	0.9
212.55441	0.2
213.10185	0.8
221.10707	0.9
222.09114	1.3
223.08585	0.7
223.12282	0.5
224.11009	1.7
225.10202	4.3
226.08685	0.5
226.10893	0.8
227.08080	0.2
227.11720	0.2
236.09418	0.2
238.10945	0.5
239.08017	0.5
239.11783	7.9
240.08920	0.7
240.12352	0.6
241.09708	1.5
241.13358	0.8
242.10428	0.2
249.10191	0.7
250.08641	1.2
250.10916	0.3
251.08084	1.0
251.11710	0.3
252.08894	1.2
253.09717	4.3
254.10423	0.7
255.11243	0.4
256.12054	0.3
257.12891	0.7
260.02747	0.2
266.10641	0.3
267.11292	11.5
268.09509	0.3
268.12097	0.5
269.12802	1.7
278.08090	0.3
280.08505	0.5
281.09106	0.9
284.11459	1.0
285.12299	1.6
295.10764	6.4
296.09000	0.3
297.12280	0.6
301.11771	0.3
305.14914	0.4
313.11807	36.9
314.12091	0.9
315.13229	0.4
323.10324	1.1
327.13281	0.4
341.11313	8.7
342.11487	0.3
355.12851	1.5
359.12393	4.5
373.13934	100.0
374.14227	2.9
375.15512	0.5
478.16998	0.2
535.19415	0.4
627.24554	0.4
631.26111	0.3
641.25494	0.3
645.25696	0.8
659.26837	0.6
677.28217	0.4
689.07025	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61002	4.1
67.05504	91.8
69.03432	9.7
69.07059	51.5
70.83869	6.3
70.84193	6.2
71.04977	9.2
75.18360	4.0
79.05490	76.0
81.03410	20.7
81.07059	100.0
83.04980	14.4
83.08620	19.4
85.02894	6.3
85.06522	4.7
86.09696	9.4
88.45358	4.1
89.88834	4.3
91.05482	70.1
93.07044	76.6
95.04987	24.3
95.08601	48.9
97.02880	8.5
97.06531	23.2
97.10171	16.9
99.08072	5.8
105.07030	56.1
107.04929	9.2
107.08600	45.8
109.06514	7.8
109.10143	23.3
111.08071	8.6
117.07021	35.6
119.08589	44.0
121.10149	29.4
123.08102	5.1
123.11692	8.5
125.09624	16.4
126.97742	4.8
129.06978	9.2
131.08577	40.2
133.10152	39.7
135.08020	7.3
135.11676	24.2
137.09657	5.5
139.11154	4.4
143.08514	8.8
145.10135	26.7
147.08141	5.3
147.11682	18.1
149.09569	24.1
149.13254	19.1
149.38026	5.0
155.08609	5.0
157.10152	11.3
159.11667	25.3
161.13255	8.5
163.11183	17.8
169.10124	5.1
171.11662	10.9
173.13258	8.4
177.12694	10.4
181.12149	6.7
183.11717	8.2
184.07339	25.4
189.11076	4.9
193.05002	5.1
195.13837	12.1
227.12735	12.5
239.17944	7.4
255.15913	14.9
257.19003	16.9
269.17477	50.2
275.20047	66.9
293.21091	8.3
319.70462	4.2
321.24295	5.5
333.74106	5.8
335.25931	6.6
349.23734	44.1
367.24866	8.7
429.22549	5.1
445.28983	6.0
449.28918	18.6
463.30630	14.1
529.34912	15.2
543.36774	42.6
561.37219	7.1
623.43237	5.3
641.43488	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	856.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	2.6
62.45742	2.1
65.03931	5.1
67.05505	86.6
69.03426	15.0
69.07066	37.5
70.13924	1.9
70.84364	5.5
71.04986	6.4
73.66644	2.0
79.05493	67.6
80.99260	2.3
81.03419	20.8
81.07058	100.0
83.04981	16.2
83.08616	20.6
85.02908	8.7
85.06531	4.9
91.05482	60.8
91.06019	4.7
93.07042	77.7
93.07627	5.3
95.04972	20.5
95.08603	42.1
97.02896	6.5
97.06540	20.5
97.10191	10.9
99.08098	4.8
103.05389	2.1
105.07034	60.2
107.04942	13.3
107.08591	39.4
107.73318	2.6
109.06520	8.5
109.10155	17.7
111.08099	8.0
113.09669	4.8
115.05473	3.0
117.07010	25.0
119.08593	40.7
119.83783	2.8
121.06498	8.5
121.10139	22.4
123.08090	5.7
123.11723	6.1
125.09634	8.9
125.46118	2.0
127.03933	3.7
128.06160	3.6
129.06992	11.8
130.07831	3.9
131.08572	28.3
133.06487	3.7
133.10136	28.3
133.28020	2.3
135.08051	7.3
135.11684	18.5
137.09651	3.3
141.07019	3.9
143.08566	7.7
145.06491	2.4
145.10112	21.7
147.08018	3.7
147.11719	14.7
149.09633	17.7
149.13286	17.8
151.11139	2.9
155.08553	5.6
157.06308	2.2
157.10133	8.6
159.11726	22.4
161.13257	5.8
163.11195	12.4
169.10123	5.6
171.11678	5.2
173.04395	2.9
173.13264	9.4
177.12749	7.0
181.10103	3.2
183.11703	5.4
184.07393	4.8
185.13266	3.5
189.11217	4.1
195.13780	8.6
197.13315	5.0
201.12804	2.6
201.16498	2.4
215.18071	2.6
227.12808	8.7
229.19560	2.1
255.15829	16.1
257.19009	11.1
267.15820	5.3
269.17465	46.2
275.20053	51.9
291.19528	2.6
293.21124	2.6
331.22812	4.8
349.23721	35.0
367.24854	7.9
413.21732	2.6
445.29285	3.5
449.28970	29.5
463.30573	34.1
525.35907	3.8
529.35303	4.2
543.36829	31.7
561.37872	7.2
607.34460	3.9
623.42676	3.0
641.42993	3.1
702.51251	2.7
856.44769	8.0
857.45294	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	856.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	3.3
63.91043	1.1
65.03925	2.5
67.05500	100.0
69.03421	3.0
69.07059	18.5
69.28666	13.4
71.04987	4.8
73.02895	1.8
79.05489	46.2
81.03409	9.2
81.07050	61.4
82.45438	1.1
83.04969	7.9
83.08613	15.2
85.02903	12.3
85.06527	2.9
87.04465	4.2
91.05479	24.1
93.07037	41.8
95.04936	7.5
95.07988	2.1
95.08597	40.3
97.02884	5.0
97.06528	5.2
97.10167	15.7
97.72044	1.3
98.20791	2.8
105.04568	1.4
105.07021	15.5
107.04960	2.3
107.08585	23.7
109.06531	3.0
109.10149	53.4
111.04375	1.4
111.08083	3.8
117.07005	8.2
119.08568	16.0
121.06483	1.5
121.10133	18.9
123.08092	2.4
123.11712	4.6
125.09609	15.6
129.05449	2.9
129.06943	2.6
131.08568	10.0
133.10110	6.8
135.08055	1.5
135.11690	14.7
137.09604	3.8
139.11143	1.2
143.10684	2.8
145.10110	9.4
147.11693	6.3
149.09578	2.3
149.13254	4.8
151.11229	1.3
153.12746	3.3
155.08510	1.2
155.10681	2.7
159.11674	4.3
161.13249	4.6
163.11185	8.4
163.14827	1.9
173.11748	16.9
173.13307	4.2
175.11047	1.4
175.14738	1.5
181.12274	2.5
187.14767	1.3
189.11179	1.4
191.10629	3.0
193.12308	2.7
199.13326	4.2
209.11737	4.8
211.13263	1.1
217.14282	2.0
227.12793	4.4
229.14313	41.3
243.21118	5.2
261.22128	15.1
267.15881	3.0
283.15390	2.2
301.16431	12.5
317.24771	2.4
335.25769	72.2
336.26355	1.3
370.75223	1.4
399.23651	14.7
477.35425	4.9
489.35715	17.5
543.36761	2.0
561.37579	3.9
579.38605	2.7
659.44867	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	856.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	3.1
67.05503	64.8
69.03405	6.9
69.07072	15.2
69.38714	25.5
79.05495	59.1
81.03428	22.3
81.07058	60.0
83.04987	19.1
83.08620	13.9
85.02901	8.7
91.05491	32.1
93.07047	61.6
95.04970	13.3
95.08612	46.4
97.02890	10.9
97.06523	9.7
97.10175	6.0
99.04424	3.3
105.07019	20.2
107.04964	12.1
107.08612	29.6
109.06501	6.5
109.10162	22.9
111.04457	6.7
111.08105	5.6
117.06999	12.9
119.08587	21.7
121.06465	3.5
121.10144	23.8
121.74788	2.8
123.08092	8.5
125.09647	7.2
131.08572	12.3
133.10146	8.2
135.08138	4.1
135.11682	24.4
145.10123	20.3
147.11682	4.3
149.13268	3.9
153.12743	7.5
157.10075	3.1
159.11691	4.7
161.13342	4.0
163.11169	15.3
173.09587	4.0
173.13229	5.2
181.12202	6.0
187.14796	3.1
191.10704	8.2
209.11740	16.8
227.12807	11.8
256.53940	3.4
261.22147	11.2
283.15338	20.8
301.16483	32.6
317.24826	4.0
335.25815	60.5
372.02811	3.2
451.32080	4.8
469.32968	3.4
525.35645	10.6
543.36877	52.3
561.37927	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	8.9
65.48409	3.9
67.05178	6.2
67.05508	100.0
67.07777	3.7
69.03413	11.3
69.07071	48.2
71.04998	5.5
71.58038	6.3
79.05496	88.2
81.03420	12.8
81.07062	90.6
81.69721	3.8
82.07380	6.2
83.04983	14.5
83.08610	16.5
85.02911	5.0
91.05484	93.8
92.05794	4.0
93.07042	81.4
94.07369	4.2
95.04978	22.8
95.08608	60.8
97.02901	9.8
97.06517	15.8
97.10094	8.5
103.05437	4.6
105.07038	82.5
107.04960	12.3
107.08600	50.6
109.06505	6.5
109.10156	40.5
111.08071	5.1
117.07025	33.7
119.08577	50.9
121.06498	13.2
121.10152	31.4
123.08121	8.2
123.11713	8.5
125.09591	13.0
127.03913	4.7
128.06244	7.2
129.07047	21.5
131.08574	45.2
133.06465	4.4
133.10129	60.9
134.10480	6.9
135.08058	10.0
135.11679	16.8
137.09677	6.2
142.07782	5.6
143.08568	17.9
145.10123	30.3
147.11699	26.1
149.09628	14.5
149.13289	6.5
151.11221	6.1
155.08563	8.7
157.10133	18.3
159.11711	25.1
161.09586	4.6
161.13216	12.5
163.11220	12.8
169.10130	12.7
171.11668	13.1
173.11897	4.8
173.13336	11.0
175.11279	4.7
183.11661	6.3
184.07375	8.4
185.13222	10.2
187.14743	6.9
197.13295	8.1
199.14754	5.4
223.14896	4.3
227.12750	9.0
231.20976	3.9
234.09070	4.0
236.03885	4.8
241.19562	7.8
253.14215	9.3
254.14731	5.7
255.15823	6.5
257.18845	10.8
259.20776	12.0
269.17490	10.7
275.20132	25.2
293.21002	5.7
333.24231	16.7
335.25861	8.5
349.23715	11.3
386.62491	4.7
441.33307	4.9
487.34476	5.7
513.35675	16.9
527.37219	10.2
561.37158	4.4
607.43079	11.3
625.44403	11.3
641.43799	5.9
763.83887	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	854.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
61.48464	2.7
65.03931	3.3
67.05501	85.5
68.26604	2.6
69.03419	8.5
69.07066	28.3
70.67325	9.3
71.04983	8.4
79.05487	59.1
81.03416	19.4
81.07052	92.8
83.04988	16.8
83.08607	11.4
84.08146	3.2
85.02887	4.4
85.06512	5.1
91.05475	72.6
93.07039	58.0
95.04954	26.5
95.08607	36.8
97.02924	3.6
97.06528	15.5
97.10159	4.2
99.04448	4.1
103.05481	4.5
105.07028	71.7
107.04939	13.0
107.08589	52.0
109.02892	5.5
109.06496	12.3
109.10153	49.3
111.08086	6.1
113.05976	3.0
115.05433	3.3
116.99677	2.8
117.07015	18.6
117.78841	2.6
119.08574	26.7
121.06498	10.5
121.10128	15.9
123.08055	6.8
123.11710	7.6
125.09599	5.1
127.03927	4.7
128.06126	3.1
129.06975	8.6
130.08699	3.4
131.08571	26.4
133.06540	4.1
133.10124	72.4
135.08040	7.1
135.11688	10.8
137.09584	2.7
143.08553	8.8
145.10094	16.1
147.08043	3.2
147.11691	6.7
148.72469	3.0
149.09608	15.4
149.13298	6.0
151.11185	27.1
157.10115	7.6
159.11713	10.6
161.09630	7.8
161.13344	2.8
163.11183	11.7
169.10094	4.4
169.12241	5.8
173.09605	3.9
173.13275	2.9
175.11189	4.6
177.12770	5.1
179.14314	3.6
183.11775	3.3
185.13303	2.9
193.12274	3.2
195.13889	3.2
215.12694	5.7
229.37708	2.3
245.19098	4.4
251.12831	4.8
253.14334	100.0
254.14944	3.5
255.15688	3.4
257.18945	4.3
263.20062	3.2
269.17447	18.9
271.15375	3.2
273.18509	24.3
275.20041	17.9
289.21945	3.6
291.19580	28.0
303.14478	2.4
347.22076	6.7
349.23672	11.4
365.23163	23.5
367.24725	3.9
390.69232	2.9
447.27289	3.9
451.26947	3.4
465.28436	13.0
541.34656	4.0
545.34705	11.9
559.36401	34.5
639.42108	6.6
657.42639	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	854.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	4.3
67.05502	90.2
69.03419	8.9
69.07063	29.6
71.04982	7.3
71.10891	2.4
71.57923	2.5
79.05489	64.7
81.03413	18.6
81.07053	95.7
83.04960	18.5
83.08604	15.4
85.02915	4.8
85.06528	6.6
89.05969	2.9
89.45602	2.1
91.05476	84.0
92.71210	2.4
93.06470	4.4
93.07035	65.7
95.04963	21.9
95.08605	40.3
97.02907	3.8
97.06519	17.4
97.10161	5.6
97.84497	2.6
99.04430	4.1
99.08115	2.2
105.07028	62.8
107.04953	15.3
107.08589	54.6
107.67254	2.0
109.02873	2.8
109.06508	10.9
109.10153	53.4
111.08083	7.1
113.81863	2.2
115.05478	3.3
117.07003	19.6
119.08576	27.9
121.06502	10.1
121.10120	19.9
121.25253	2.2
123.08047	7.8
123.11700	11.2
125.09628	5.3
127.03935	4.8
127.07568	3.8
129.06984	7.7
131.08568	24.4
131.86713	2.3
133.06447	7.3
133.10123	77.9
135.08046	12.4
135.11693	16.8
137.09677	4.6
141.07018	2.4
143.08557	6.7
145.10133	18.3
147.08028	6.6
147.11658	11.0
149.09647	14.7
149.13243	7.4
151.11174	38.2
155.08514	4.0
157.10130	6.0
159.08060	3.7
159.11699	11.7
161.09627	7.1
161.13264	6.4
163.11176	9.6
169.10162	4.1
169.12213	7.9
171.11690	8.0
173.13307	5.9
175.11195	7.1
177.09158	3.5
177.12674	4.6
179.10626	3.0
179.14310	4.3
181.12169	2.3
183.11691	2.4
185.13152	2.4
187.11096	2.9
189.12801	4.7
195.13826	5.2
197.13307	4.0
215.12689	4.9
229.19374	2.5
239.17995	3.5
245.18799	2.3
247.20723	2.4
253.14339	100.0
255.15695	3.8
257.19003	6.3
263.20273	2.6
267.15805	2.4
269.17465	19.5
271.15445	4.5
273.18491	25.9
275.20020	27.5
275.22766	2.7
288.42105	2.6
291.19525	26.1
309.20605	2.5
347.22192	10.9
349.23770	15.4
365.23157	27.0
367.24927	4.2
447.27258	5.9
451.26840	4.3
465.28546	11.7
495.74405	2.6
513.82947	2.6
527.34192	3.2
541.35034	9.6
545.34662	20.1
559.36334	37.5
561.99316	2.8
639.42004	8.8
657.43134	3.4
719.57996	2.9
835.01440	3.3
857.33875	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	854.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02895	1.8
63.55326	1.3
65.03938	3.2
67.05505	61.2
69.03429	14.2
69.07069	42.2
69.37791	2.8
69.38184	13.8
71.04975	6.4
79.05492	53.3
79.42622	1.3
80.83008	1.4
81.03416	13.9
81.07054	75.1
81.99340	1.3
83.04978	11.4
83.08614	16.9
85.02890	4.0
85.06516	4.2
86.52522	1.4
89.58533	1.5
91.05479	49.1
93.07047	55.6
95.04958	18.7
95.08606	30.1
97.02888	10.4
97.06528	14.7
97.10179	12.0
99.04457	1.4
99.08057	1.9
103.05450	2.7
105.07030	45.3
106.07353	1.4
107.04969	13.0
107.08589	37.8
109.02805	2.6
109.06513	6.1
109.10157	22.1
111.04457	1.6
111.08044	4.3
113.09638	1.6
114.06841	1.4
115.05428	3.3
117.07019	16.1
119.04965	2.2
119.08586	26.4
119.09380	2.9
121.06474	7.8
121.10121	16.1
123.04330	1.6
123.08073	8.6
123.11671	3.9
124.45233	1.7
125.09652	8.9
127.03900	1.7
128.06210	2.2
129.06984	6.8
130.07793	2.0
131.08553	19.6
133.06485	3.9
133.10129	34.3
135.08080	9.9
135.11671	13.2
137.09624	4.5
141.06963	1.7
142.07779	1.9
143.08553	5.6
144.06790	1.5
145.10126	15.2
147.08041	7.0
147.11670	8.0
148.11917	1.6
149.09621	13.1
149.13295	9.5
151.11168	9.5
153.08966	1.8
155.08539	3.6
157.06538	1.6
157.10098	5.5
157.61221	1.7
159.08026	1.7
159.11685	13.0
161.09613	5.6
161.13191	4.1
162.10387	1.4
163.11180	9.3
165.08995	2.1
169.10187	2.4
169.12219	2.1
171.11687	4.5
173.09653	1.9
173.13196	3.5
175.11137	5.2
177.12730	4.7
181.10033	1.3
181.12274	2.0
187.11166	2.3
187.14864	1.6
189.11201	4.6
189.12744	2.0
193.12233	2.8
195.13818	6.2
197.13251	2.1
205.12190	2.3
207.67639	1.4
210.98230	1.5
223.13297	16.3
227.12790	7.4
227.17870	1.8
229.19479	2.6
229.55042	1.5
239.17966	2.5
245.18988	3.9
249.14856	2.6
253.14304	24.1
255.15738	7.0
256.70096	1.3
257.19031	6.9
263.20117	1.7
267.15848	2.8
269.17468	25.6
273.18500	24.0
275.20050	19.5
291.19537	100.0
292.19708	2.5
309.20798	1.7
347.22208	6.2
349.23672	14.9
365.23248	49.2
367.24741	3.3
413.21698	1.9
465.28772	3.5
523.81354	1.5
527.33057	1.6
541.35394	2.5
545.34753	15.3
559.36371	66.0
560.36707	3.2
566.34625	1.6
639.42383	15.4
657.43500	1.9
723.98615	1.5
854.46106	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	7.4
62.69722	0.5
65.03939	2.2
67.05504	59.9
68.05886	0.5
69.03435	2.5
69.07066	14.1
71.04991	15.1
71.58855	0.8
73.02898	2.8
79.05489	25.8
81.03419	5.5
81.07056	80.7
82.07394	1.2
83.04981	6.4
83.08620	12.8
85.02908	9.5
85.06542	6.2
87.04467	1.4
91.03948	4.9
91.04892	1.1
91.05476	23.7
93.07041	38.5
95.04975	5.4
95.08609	12.3
97.02897	5.6
97.06525	7.2
97.10161	3.3
99.04452	1.2
99.08089	2.0
103.03947	0.5
105.07033	8.6
107.04967	2.1
107.08591	23.9
109.02895	1.0
109.06511	2.8
109.10158	15.1
111.04448	0.5
111.08075	4.6
111.41076	0.5
113.09681	1.0
117.07011	5.6
119.08572	3.8
121.06508	1.6
121.10139	12.1
123.08043	1.1
123.10797	0.9
123.11703	9.0
123.69162	0.7
125.09604	2.7
127.03900	2.8
129.07037	1.1
131.08575	7.2
133.10121	12.2
135.08038	1.1
135.11703	6.5
137.09641	1.0
139.07533	0.7
139.11139	1.5
145.04968	2.9
145.10120	1.4
147.11702	1.9
149.09581	1.3
149.13260	19.2
151.11176	4.3
153.12775	0.8
157.10052	0.7
159.11700	8.9
163.06027	2.1
163.11192	1.9
165.12799	0.9
173.04459	0.6
173.11732	2.6
177.12770	4.6
181.12286	0.6
183.13820	1.4
187.13277	2.5
191.10707	0.9
195.13777	7.7
199.13322	1.1
209.11685	0.9
211.13266	0.8
213.14865	1.9
225.14778	0.7
227.12898	1.6
229.14360	9.4
251.16423	1.2
257.17496	0.8
267.15765	2.5
269.17477	24.2
270.17834	0.6
283.15649	1.0
301.16513	2.8
301.20166	3.6
411.27509	0.9
423.27457	7.3
436.08392	0.6
437.29004	33.1
438.29276	1.1
445.24216	0.7
445.29587	0.6
451.30466	5.7
463.30542	100.0
464.30887	3.7
477.28247	0.7
495.33740	32.0
496.33206	1.8
513.30719	3.6
607.34595	1.4
639.37372	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02902	1.4
65.03927	1.9
65.23687	0.9
67.05500	40.5
69.03426	9.3
69.07066	32.3
71.02953	2.2
71.04976	3.8
73.02918	1.3
79.05487	36.5
81.03416	10.8
81.07052	45.9
82.07378	1.1
83.04979	8.4
83.08609	12.7
83.33174	0.9
85.02882	2.7
85.06535	2.2
91.05473	35.3
93.07039	36.1
93.07626	1.8
95.04970	14.2
95.08599	19.6
97.02900	8.8
97.06524	9.0
97.10168	14.7
98.97918	1.0
99.08054	1.4
103.05431	1.7
105.04522	1.3
105.07024	26.9
107.04950	9.7
107.07877	1.3
107.08589	25.5
109.02869	2.2
109.06516	5.4
109.10150	13.7
111.04391	1.3
111.08063	3.0
115.05429	2.0
117.06232	1.1
117.07008	13.0
118.32954	0.9
119.04971	0.9
119.08572	18.7
121.06470	5.2
121.10149	9.2
123.08092	4.5
123.11707	2.0
125.09631	9.0
127.03884	2.0
129.06963	5.2
130.07726	2.1
131.04898	1.0
131.08568	13.1
133.06447	3.3
133.10138	13.9
133.48907	0.9
133.66808	0.9
134.07297	2.0
135.08081	4.6
135.11711	7.3
137.09619	3.9
141.06961	1.2
143.08546	3.7
145.06488	1.2
145.10124	9.9
147.08032	4.6
147.11687	7.1
149.09605	8.5
149.13261	8.0
151.11191	2.6
153.09053	1.6
155.08562	1.8
157.10100	4.9
159.07994	1.0
159.11711	9.1
161.09604	3.8
161.13231	4.1
163.11240	5.6
165.09158	2.1
165.12682	1.1
169.10098	2.9
171.10266	1.4
171.11667	3.5
173.13297	4.4
175.11194	3.5
177.12733	3.3
179.14200	1.0
183.11694	2.3
187.11182	1.8
187.14851	1.2
189.11261	8.5
189.12764	1.9
193.12209	1.5
195.12021	1.1
195.13707	5.4
197.13316	1.2
199.14798	1.4
205.12202	2.3
217.15800	1.0
223.13269	14.6
227.12747	11.4
239.17885	2.9
245.18942	1.3
249.14851	3.1
251.16324	1.2
253.14302	3.7
255.15802	4.9
257.19052	7.0
260.20834	1.1
261.14835	1.1
267.15796	2.4
269.17493	18.2
273.18469	15.3
275.17188	0.7
275.20029	18.5
291.19522	100.0
292.19852	2.9
293.21161	2.3
309.20602	1.3
331.22733	1.6
347.22128	3.0
349.23718	17.2
365.23221	43.0
367.24658	2.8
413.21735	1.3
461.28906	2.0
519.32483	1.4
527.33508	1.7
535.32727	1.4
541.35272	2.4
545.34711	15.3
559.36255	47.5
560.36609	1.7
639.42572	19.7
640.42859	1.8
657.43451	3.4
854.45490	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	15.3
63.02871	1.2
65.03934	2.8
67.05503	62.5
67.81947	1.3
69.03423	6.4
69.07065	18.1
70.70677	1.3
71.02841	1.4
71.03175	2.7
71.04988	5.9
73.02916	7.8
79.05489	42.7
81.03412	19.3
81.07056	69.8
82.04204	2.4
83.04982	12.8
83.08614	20.1
85.02906	17.3
85.06538	5.2
91.03965	8.2
91.05479	28.7
93.07035	47.0
95.04959	15.1
95.08599	18.4
96.55306	1.4
97.02901	11.3
97.06531	12.7
97.10172	13.6
98.07314	5.6
99.08138	2.3
105.07030	18.4
107.04949	4.1
107.08585	25.8
109.02892	2.3
109.06512	4.9
109.10149	11.7
111.04475	1.8
111.08107	9.3
116.04709	12.0
117.07001	10.4
118.28273	1.6
119.08587	12.5
121.06493	2.6
121.10137	14.7
123.08073	6.4
123.11687	4.4
125.09655	14.4
127.03922	3.8
129.05478	25.9
129.06979	3.4
131.08565	11.9
132.05559	1.4
133.10133	16.3
135.08034	3.1
135.11682	10.6
137.09650	2.0
143.07028	6.5
143.10631	2.8
145.05034	3.5
145.10123	5.8
147.11682	5.5
149.09656	2.9
149.13274	15.0
151.11192	1.5
153.09010	2.0
153.12711	1.7
157.08607	14.2
157.09975	2.7
157.25108	1.5
158.05827	1.5
159.11717	9.9
163.06056	4.7
163.11200	8.3
165.12798	1.8
167.07100	1.8
171.06427	3.5
171.10204	4.9
173.11784	4.3
175.11180	5.6
177.12755	5.2
181.12251	2.3
189.11227	5.6
191.10666	2.0
193.12222	6.9
195.13814	19.0
199.13301	14.0
200.13995	2.1
209.11667	6.6
211.13303	5.3
213.14844	3.0
227.12833	12.2
229.14334	3.3
234.85660	1.5
255.15857	1.6
267.15894	6.8
269.17465	59.8
283.15396	14.3
285.16998	2.3
289.13358	1.6
301.16437	64.1
323.18491	4.2
351.21710	1.8
393.26279	4.4
411.27319	13.8
423.27451	30.2
461.28909	5.4
477.28467	16.8
478.29202	6.7
482.63202	1.9
495.29510	100.0
496.29651	2.3
656.55548	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.437
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	17.5
63.61580	1.1
65.03939	2.9
66.44088	1.2
67.05502	86.5
69.03426	11.8
69.07066	24.0
71.01350	2.4
71.04980	7.2
73.02918	10.2
79.05490	53.7
81.03410	28.6
81.07055	87.0
82.04191	4.3
83.01331	1.3
83.04986	16.9
83.08618	27.2
85.02907	19.3
85.06528	5.5
87.04473	1.4
91.03951	12.2
91.05479	40.2
93.07038	71.0
95.04959	23.0
95.08603	27.9
95.09128	1.0
97.02897	15.8
97.06527	18.2
97.10167	16.6
98.07311	5.1
99.04457	4.3
99.08095	4.5
105.07032	18.6
107.04954	8.0
107.08591	43.2
109.02895	2.8
109.06528	5.2
109.10160	18.4
111.04435	3.1
111.08076	11.2
113.05995	1.6
115.03896	2.1
115.05493	1.4
116.04717	13.1
117.05524	1.2
117.07010	13.6
119.08583	14.5
121.06499	4.6
121.10146	20.3
123.04414	1.3
123.07310	1.2
123.08047	6.9
123.11701	4.0
125.06023	1.5
125.09633	17.9
127.03909	5.2
129.05476	28.5
129.07004	5.1
131.08553	17.7
133.06476	1.6
133.10129	20.1
135.08075	3.9
135.11690	14.9
137.09586	3.7
139.11125	1.7
142.07768	1.8
143.07040	7.1
143.10684	2.1
145.04965	4.1
145.10112	6.6
147.08015	2.1
147.11664	8.6
149.09637	4.4
149.13254	31.8
151.11134	1.9
153.09064	2.2
153.12758	3.8
155.08522	1.4
157.08611	12.6
157.10100	4.9
158.05760	2.1
159.08099	1.3
159.11690	14.6
163.06017	3.9
163.11148	9.1
165.12807	3.2
171.06570	3.8
171.10181	3.7
171.11613	1.6
173.09657	3.8
173.11771	4.8
173.13197	1.1
175.11156	4.6
177.12802	6.9
185.08243	1.2
189.11205	5.5
191.10707	3.4
193.12212	7.0
195.13785	20.2
199.13310	13.4
200.14046	2.8
209.11771	10.8
210.12357	1.2
211.13280	5.2
213.14914	4.2
227.12724	10.3
229.14357	4.9
255.15985	3.1
265.14352	2.4
267.15982	11.3
269.17462	76.8
270.17792	2.3
283.15411	16.1
284.15878	1.6
285.16989	2.9
301.16443	48.0
323.18475	4.1
328.15259	1.4
351.21744	2.3
353.65833	1.1
393.26318	6.5
411.27451	12.4
413.21432	2.2
423.27411	33.3
424.27811	2.5
449.28760	4.2
459.27298	4.0
460.28668	1.3
461.28778	5.8
477.28442	23.8
478.29077	10.3
495.29492	100.0
496.29895	4.8
621.32666	2.4
639.33490	4.7
639.97809	1.2
797.85840	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41488	1.3
61.02925	16.7
65.03931	3.6
67.05502	98.6
68.05843	2.0
69.03095	1.3
69.03408	7.3
69.07067	15.9
69.71242	7.4
69.71658	2.4
71.04990	7.6
73.02902	8.4
79.05489	43.8
81.03416	17.5
81.07054	78.9
83.04978	12.0
83.08622	21.8
85.02900	30.1
85.06538	5.7
87.04475	5.6
91.03956	11.9
91.05482	33.1
93.07045	45.3
95.04980	12.1
95.08605	24.1
96.04520	1.3
97.02883	15.1
97.06524	12.7
97.10175	15.9
99.04453	3.8
103.03954	2.8
105.07012	11.9
107.04926	5.5
107.08595	30.6
109.06527	4.3
109.10151	57.7
111.04418	1.8
111.08071	8.3
117.07004	7.1
119.08558	12.8
121.06509	3.2
121.10149	11.6
123.08105	3.1
123.11700	4.6
125.09638	12.4
127.03908	7.2
129.05486	6.3
129.07019	2.4
131.08588	9.8
133.10135	14.9
135.11668	9.2
137.09636	3.5
145.04979	5.5
145.10114	5.3
147.07994	2.1
147.11676	9.5
148.62344	1.5
149.09549	1.8
149.13245	15.6
151.11137	2.4
153.12767	3.3
155.10715	3.2
157.10162	1.6
159.11716	10.1
163.06041	5.7
163.11186	10.8
165.12735	5.3
173.04460	1.9
173.09596	2.0
173.11748	18.9
175.11284	1.4
177.12788	3.9
181.10645	1.7
181.12251	2.7
185.11784	1.9
191.10693	3.0
193.12231	7.0
195.13795	16.6
199.13310	7.5
209.11711	9.1
211.13309	6.6
213.14920	3.3
227.12759	11.4
229.14337	59.6
239.16463	5.3
257.13901	2.0
265.14276	2.7
267.15970	14.5
269.17474	65.6
283.15424	10.2
301.16473	21.6
323.18530	1.8
357.24362	2.7
393.26337	3.5
411.27408	6.2
422.26910	1.5
423.27405	51.4
431.27902	5.1
449.29175	2.0
459.27878	1.8
477.28519	4.0
495.29510	100.0
513.30597	29.8
788.66437	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	16.5
65.03925	3.9
66.94626	1.4
67.05504	100.0
69.03422	5.1
69.06718	1.9
69.07067	19.7
71.05001	10.4
71.58031	2.4
73.02912	8.4
73.41520	1.4
73.55747	1.2
74.46496	1.2
79.05495	49.2
81.03426	14.9
81.07056	83.0
83.04980	10.9
83.08617	20.4
85.02901	26.5
85.06534	4.9
87.04467	4.0
91.03962	10.4
91.05480	36.6
93.07045	45.1
95.04962	12.6
95.08605	25.4
97.02889	13.7
97.06535	12.0
97.10167	12.7
99.04440	2.2
101.29788	1.4
103.03929	3.0
105.04513	1.4
105.07021	15.3
107.04951	3.9
107.08588	33.2
109.02828	1.6
109.06525	4.8
109.10157	51.3
111.04413	2.0
111.08097	7.4
116.04695	2.0
117.07024	10.5
119.08601	11.0
121.06478	4.4
121.10140	12.7
123.11703	4.4
125.05983	1.9
125.09631	11.5
127.03926	5.4
127.64405	1.4
129.05473	6.8
129.07002	3.4
131.08580	8.6
133.10139	14.7
135.08044	2.6
135.11671	11.5
135.78969	1.4
137.09628	2.3
143.10648	2.4
145.05008	4.0
145.06367	1.3
145.10123	4.8
147.11676	6.3
149.13263	13.2
151.11186	2.8
153.12775	3.0
155.10612	2.6
157.10107	2.8
159.11729	6.6
163.06030	4.6
163.11157	8.7
165.12695	2.3
173.11734	12.3
177.12781	5.6
181.12273	2.7
191.10704	3.6
193.12276	3.4
195.13794	15.6
199.13306	5.6
209.11719	7.6
211.10872	1.3
211.13249	3.3
220.40834	1.6
227.12724	6.3
229.14375	34.9
229.16594	3.1
239.16451	1.6
257.13754	5.2
267.15891	8.2
269.17484	62.1
283.15378	5.9
285.17114	2.2
297.16766	1.6
301.16492	16.8
301.19748	2.7
304.64621	1.4
357.24133	2.2
393.26593	2.6
411.27322	5.7
423.27383	43.5
431.28085	1.9
437.29102	6.6
463.30396	3.9
477.28671	4.7
495.29129	76.8
513.30646	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	9.0
67.05501	31.1
69.03412	7.3
69.07052	5.3
71.04977	6.3
73.02897	3.3
79.05066	2.7
79.05489	34.7
79.85863	1.7
81.03415	98.7
81.07051	38.6
83.04976	22.3
83.08617	39.5
85.02904	43.5
85.06567	2.2
91.03948	4.7
91.05479	48.3
93.07040	24.6
95.04961	39.0
95.08597	12.2
97.02873	11.1
97.06506	6.9
97.10144	5.4
98.20716	3.9
99.08103	2.7
103.05434	1.9
105.07029	29.9
107.04968	13.8
107.08591	10.4
109.06509	8.2
109.10136	4.2
111.04409	4.2
111.08067	14.0
113.06001	5.1
113.63904	1.7
115.05453	2.7
117.07002	4.2
118.63090	1.6
119.04958	2.0
119.08585	30.0
121.06491	5.1
121.10131	7.0
123.08041	4.0
123.11691	3.9
125.09624	3.0
127.03906	5.4
129.07002	17.7
131.08571	20.1
133.06454	5.7
133.10118	20.6
137.05928	2.0
137.09642	3.7
142.07756	4.7
145.04916	1.7
145.10101	2.9
147.08049	6.5
147.11681	25.8
149.09647	7.5
157.10126	24.0
159.23741	1.4
163.05980	2.2
163.11096	2.0
165.12762	3.3
175.11174	25.2
176.04915	2.0
187.30356	1.6
193.12245	71.4
211.13290	100.0
212.13635	2.7
229.14398	2.0
267.15884	51.8
285.16959	90.1
286.17337	2.5
309.42249	1.9
367.22452	3.4
385.23648	7.9
403.24792	1.8
433.25931	2.1
459.27420	37.0
477.28464	41.5
495.29498	97.4
496.29761	3.3
639.33441	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	852.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	6.6
65.03938	1.3
67.05171	1.1
67.05506	14.1
67.74399	0.6
69.03436	3.8
69.07082	4.8
70.87315	1.3
71.04991	4.3
73.02904	2.6
79.05067	1.3
79.05495	19.5
81.03417	37.2
81.07061	18.1
83.01340	3.7
83.04984	13.6
83.08621	16.2
85.02910	22.1
85.06543	1.4
91.03959	4.8
91.05480	19.0
93.07044	17.2
95.04974	15.7
95.08612	5.9
97.02893	7.1
97.06545	3.4
97.10164	2.8
99.04440	2.1
99.08076	0.9
102.49419	0.7
103.05482	0.7
105.07032	14.3
107.04954	7.6
107.08598	7.8
109.02879	1.0
109.06527	5.3
109.10152	2.0
111.04435	2.6
111.08071	6.3
115.05447	0.8
117.07015	4.1
119.08584	14.0
121.06528	2.4
121.10143	6.4
123.08070	5.6
123.11728	1.1
125.05959	0.9
125.09628	2.0
127.03911	2.2
129.07011	5.4
130.70508	0.6
131.04948	0.7
131.08571	6.9
133.06499	1.9
133.10129	5.6
135.08034	0.9
135.11717	5.1
137.09616	1.2
142.07776	1.3
145.04991	1.6
145.06493	1.3
145.10132	7.9
147.08061	2.4
147.11694	6.9
149.09663	3.0
151.07535	0.8
153.12741	1.7
155.08643	1.1
157.10124	6.8
163.05986	1.9
163.11185	12.9
165.12746	1.7
167.07080	1.2
173.09680	1.7
175.11201	8.2
181.05016	1.5
181.12292	1.5
191.10661	1.5
193.12245	22.2
209.11748	2.7
211.13286	37.5
227.12823	3.2
265.14487	0.8
267.15942	9.6
283.15411	37.4
284.15668	0.7
285.16962	28.6
286.17343	1.0
327.62637	0.7
328.90826	0.7
383.22232	2.3
401.23413	1.4
457.25894	4.0
475.26917	14.9
476.28143	0.7
493.27982	100.0
494.28516	3.5
575.65936	0.9
639.79114	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99813	1.0
69.03428	14.2
71.04985	2.1
71.32393	2.1
73.02923	1.5
74.59851	1.1
81.03414	45.3
83.01305	1.0
85.02894	9.9
87.75200	1.1
91.05486	1.8
97.02887	5.9
99.04459	6.1
103.05441	2.9
109.02880	20.7
109.68568	1.0
113.06020	1.0
119.04961	2.4
127.03909	13.3
129.03339	2.2
131.04958	5.5
135.04378	2.0
141.05453	1.7
145.04932	4.1
147.04410	15.9
148.97685	1.0
153.01810	1.8
157.02855	1.9
159.04407	5.9
163.03899	4.6
165.01831	4.6
165.05521	2.0
173.02370	1.9
175.03883	22.5
177.05499	3.4
179.03339	2.0
184.07515	1.2
185.02354	2.3
187.03902	7.0
189.01845	1.3
191.03416	11.8
193.01317	11.7
193.05002	3.3
201.01836	8.8
203.03386	41.7
205.01366	1.9
205.04941	2.2
207.02905	2.5
209.00888	1.4
213.01859	3.7
215.03375	5.1
217.01392	1.5
219.02881	20.4
221.00832	29.6
221.04381	22.2
223.02399	1.6
229.01427	6.4
231.02869	50.9
233.00809	2.4
241.01305	6.7
245.00972	1.8
247.02383	26.8
249.03940	17.4
257.00833	11.8
259.02374	43.5
260.02725	1.5
265.03299	2.0
275.01807	32.1
276.02542	5.6
277.03433	98.1
278.03778	3.2
285.00284	10.5
293.02866	9.3
302.01108	1.5
303.01334	100.0
304.01706	3.6
321.02386	54.5
322.02774	2.1
339.03467	46.6
340.03659	1.6
381.04218	1.6
421.60330	1.2
447.05460	3.9
465.06613	16.0
483.07703	54.1
484.08215	2.1
568.09497	1.3
784.94232	1.8
785.08130	27.4
786.08618	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	5.1
62.31581	2.5
65.03915	3.6
67.05499	66.0
69.03082	2.8
69.03426	44.1
69.07063	14.8
71.01334	3.9
71.04986	8.4
73.02910	4.1
79.05489	56.4
81.03414	100.0
81.07054	61.2
81.87033	2.0
83.04979	17.8
83.08613	23.1
85.02900	29.5
85.06538	3.1
87.04469	2.6
88.07639	2.5
91.05472	54.1
93.07042	50.9
95.04970	32.0
95.08599	31.8
97.02888	42.3
97.06532	7.1
97.10163	5.9
99.04435	12.1
101.02354	4.2
102.09162	2.4
103.03936	3.1
103.05450	3.1
105.07027	45.3
107.04941	9.7
107.08588	32.3
109.02869	31.5
109.06503	6.4
109.10127	14.1
111.04413	9.6
111.08070	8.0
115.05445	4.7
117.07004	12.4
119.08581	28.5
121.06460	5.7
121.10141	25.3
123.04402	7.4
123.08067	3.6
123.11716	7.4
125.09619	4.6
127.03907	29.2
128.06207	2.3
129.05476	5.9
129.07034	10.2
129.07820	2.1
131.04953	3.1
131.08577	20.7
133.06477	4.4
133.10129	15.3
135.08022	2.3
135.11702	13.6
137.05988	2.9
139.03934	4.1
142.07762	2.3
143.08508	3.9
145.04968	3.6
145.06493	3.6
145.10114	12.4
147.04442	3.0
147.08006	4.4
147.11676	32.6
149.02322	7.7
149.05916	2.6
149.09547	5.9
149.13222	4.6
151.03915	3.6
153.12709	2.3
155.08517	2.9
157.10117	13.7
159.11668	6.6
161.13251	2.6
163.11177	8.4
165.05507	2.3
165.12753	11.5
169.10121	4.7
171.08012	4.1
171.11620	4.4
173.04459	12.7
173.05768	3.0
173.13220	2.3
175.11221	12.9
175.14714	2.6
181.12309	2.8
183.06511	3.7
185.13249	3.6
185.31128	2.1
189.12814	2.4
191.10623	3.9
193.04927	4.5
193.12218	37.4
197.13290	2.5
199.11115	4.2
201.07523	2.1
211.13268	61.9
219.74655	2.2
227.12766	4.4
229.14336	7.9
229.28601	3.7
231.13725	2.4
235.13220	4.0
249.14879	3.2
256.26263	4.8
261.22162	6.5
267.15997	18.0
273.14825	4.0
277.14401	2.4
283.15402	2.4
285.17010	15.2
301.14310	5.1
319.15714	3.1
335.25809	36.0
337.16406	3.0
355.17514	6.0
387.24963	2.8
393.19043	3.9
405.26511	2.5
411.20032	9.3
429.20822	2.6
461.29279	3.6
479.29956	2.4
494.97858	2.3
527.37201	11.7
545.38220	23.8
573.25720	2.4
671.41260	5.1
689.42145	16.4
836.86530	3.1
851.39563	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	850.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	19.3
70.94814	1.1
70.95153	1.4
71.05006	1.1
79.05518	1.0
81.03416	34.9
83.01324	0.9
85.02906	4.2
89.03922	1.0
91.05444	0.9
97.02903	3.4
99.04462	2.7
103.61662	0.8
109.02883	13.8
125.66418	0.9
127.03907	8.8
133.02844	1.3
135.04414	1.2
145.02841	1.6
147.04431	2.4
153.01825	1.7
157.02888	1.6
161.02365	2.6
163.03915	9.3
165.01784	1.2
173.02376	3.3
175.03912	2.9
179.03448	2.4
185.02333	1.3
187.03931	3.0
189.01839	5.2
191.03394	8.8
193.01439	2.1
201.01865	5.7
203.03352	6.2
205.01184	0.9
207.02841	8.1
213.01869	3.5
215.03392	3.7
217.01314	6.7
218.01985	0.9
219.02893	12.2
221.00800	2.3
229.01360	5.0
231.02873	20.1
235.02362	20.1
241.01376	4.3
245.00873	6.7
247.02397	14.0
249.04070	1.3
257.00809	10.5
259.02383	31.1
259.05209	1.5
260.02777	1.1
263.01889	6.0
273.00311	9.6
275.01862	14.7
276.02652	5.6
277.03424	89.3
285.00394	7.5
291.01355	3.6
291.04581	0.9
293.03070	1.1
300.99817	3.5
303.01340	100.0
305.02954	1.1
319.00824	13.0
321.02341	4.6
337.01880	19.9
445.03970	6.0
463.05087	26.9
481.06174	23.2
739.81055	0.9
765.05292	1.2
783.06879	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.501
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	3.8
67.05511	5.2
69.03429	3.3
69.07059	2.5
73.02921	2.8
79.05492	5.5
81.03440	2.4
81.07076	5.9
85.02895	4.3
86.09766	1.3
91.03965	2.2
91.05489	4.1
93.07030	5.9
95.08615	3.7
97.02896	3.4
98.20764	3.1
101.02359	2.0
105.07027	4.0
107.08605	3.8
109.02910	1.1
109.10124	1.2
117.07067	1.3
118.81107	0.9
119.08607	2.9
119.36456	0.9
119.50354	1.1
121.10140	1.1
124.99997	1.2
127.03921	1.5
131.08565	2.0
133.10188	1.6
135.11696	1.3
145.10139	1.2
147.11737	1.7
184.07397	3.8
185.04263	1.2
222.47913	0.9
229.36916	1.2
243.08444	3.1
313.99698	0.8
333.20471	2.0
333.24377	1.0
371.16696	1.1
535.28882	6.3
551.28424	8.1
623.30157	1.1
747.43701	1.0
845.50183	100.0
846.50385	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	848.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	2.9
61.02914	7.8
65.03942	2.1
67.05499	100.0
67.30904	1.3
69.03418	3.1
69.07054	5.1
71.04996	2.6
72.85778	1.5
73.02897	3.0
79.05486	21.4
80.98273	1.4
81.03400	2.2
81.07048	38.1
83.04946	2.1
83.08627	7.7
85.02890	14.9
85.06538	4.2
91.03931	8.8
91.05475	13.6
92.34000	1.6
93.07030	25.5
93.07557	2.3
95.04955	2.5
95.08603	25.1
97.02905	8.9
97.06510	1.7
97.10193	2.4
105.07031	9.4
107.08574	15.0
109.06520	2.0
109.10149	77.4
111.08076	2.8
117.07021	3.6
119.08574	12.7
121.10120	14.2
123.11688	4.1
125.09670	2.4
126.87634	1.5
127.03912	4.7
131.08571	6.9
133.10097	8.2
135.11684	6.3
137.09616	4.1
145.04930	2.8
145.10115	4.7
147.11678	3.2
149.13263	5.1
155.10643	2.2
159.11659	4.1
161.13269	4.7
163.06012	3.6
163.14824	1.7
173.11729	24.6
173.13242	5.9
175.14874	2.4
184.07326	3.4
187.14876	3.1
227.12790	8.5
229.14323	80.7
230.14714	2.7
243.21062	5.2
261.22156	16.1
294.62195	1.9
317.24774	4.3
318.01456	1.7
335.25769	59.6
336.25992	3.8
397.30731	1.8
403.55972	1.5
442.93433	1.4
445.32578	1.9
471.34558	1.9
489.35696	44.3
507.36725	5.0
611.94397	2.0
665.80469	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	3.6
61.02926	9.5
65.03935	2.0
67.05500	100.0
69.03426	2.9
69.07059	6.9
70.06618	0.8
71.03348	1.7
71.04983	2.6
71.08618	0.7
72.13081	0.8
73.02917	2.9
79.05486	19.8
81.03419	2.3
81.07050	38.4
83.04979	0.9
83.08618	6.9
85.02905	14.0
85.06548	3.6
88.04868	0.7
91.03951	6.9
91.05471	14.9
93.07040	24.0
95.04961	2.8
95.08598	25.7
96.04503	1.0
97.02881	8.1
97.06530	1.3
97.10167	2.6
97.67832	0.7
99.04444	0.9
99.08100	1.3
105.07034	7.2
107.08583	13.4
109.02879	0.6
109.06516	1.2
109.10147	74.8
110.10542	1.0
111.08068	2.7
117.07024	4.3
119.08561	11.9
120.08083	0.7
121.10127	9.2
123.11713	3.7
125.09631	2.2
127.03911	2.4
131.08540	6.3
133.10104	5.4
135.11694	7.2
137.09587	3.9
137.13229	0.7
142.83316	0.6
145.04953	3.0
145.10130	3.6
145.97839	0.7
147.11664	3.3
149.13260	4.3
150.39540	0.7
150.74419	0.6
155.10666	4.3
159.11705	3.7
161.13223	2.5
163.05988	4.4
163.14880	3.2
171.11642	0.7
173.11758	21.8
173.13232	3.1
175.14882	1.6
184.07321	0.8
187.14876	1.7
227.12711	6.2
229.14331	89.0
230.14642	1.3
231.15854	0.9
233.22661	1.0
243.21017	4.5
261.22101	20.0
261.24829	1.3
317.24677	2.5
335.25778	61.9
336.26086	2.2
379.29633	0.7
397.30957	1.5
415.32016	1.4
471.34799	1.4
489.35703	38.4
490.35822	2.4
507.36761	4.5
643.46497	0.7
848.51172	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.546
Annotation	Unknow
Peak:m/z	Relative Intensity
64.51042	3.5
65.16995	3.7
67.05507	83.0
68.63480	3.8
69.03431	22.6
69.07065	55.9
70.83971	9.9
71.04989	14.8
78.58530	3.2
79.05489	86.5
79.05911	7.5
81.03415	21.4
81.07056	86.3
83.04986	14.8
83.08626	11.3
85.02917	8.2
87.04462	3.6
91.05474	57.9
93.07040	85.4
93.07620	4.9
95.04939	20.5
95.08604	53.8
97.02888	15.2
97.06529	84.1
97.10178	5.4
99.08100	7.1
103.97852	3.6
105.07024	41.1
107.04968	7.4
107.08583	42.4
109.02898	5.5
109.06520	17.4
109.10143	18.5
111.08099	7.5
111.26821	3.8
115.05407	4.8
115.07562	24.8
117.07047	23.5
119.08575	26.9
121.06503	5.8
121.10113	26.1
123.08082	6.9
123.11743	4.4
127.03882	8.9
129.07008	7.7
131.08559	30.7
133.06482	5.6
133.10138	29.0
135.08035	12.6
135.11705	15.7
143.08569	7.8
145.10112	15.8
147.07994	5.1
147.11681	11.4
149.13255	12.8
157.10149	10.0
159.11716	12.5
161.09586	7.6
161.13315	5.3
171.11702	5.9
173.04500	5.9
173.09682	4.5
173.13258	5.6
177.12764	6.1
187.14841	5.1
217.15866	12.4
253.14137	4.1
261.22266	7.7
269.17450	15.5
273.18488	34.2
275.09308	4.5
276.42484	4.4
291.19534	17.5
335.25790	100.0
336.26059	6.7
347.22229	11.4
365.23138	9.9
472.26477	4.0
529.38690	34.9
557.38245	5.1
595.53589	5.0
607.42993	5.3
625.44312	18.2
643.45734	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	843.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	6.0
67.05503	4.4
69.03426	4.4
69.07059	1.0
69.25964	5.4
71.05003	0.7
72.00892	0.5
73.02918	4.8
79.05489	2.2
81.03404	4.3
81.07059	4.3
82.82394	0.5
83.04987	0.9
83.08640	0.9
85.02902	7.9
91.03951	3.9
91.05465	3.2
93.07033	3.5
95.04967	1.8
95.08590	1.1
97.02888	8.2
99.04453	1.3
101.02381	2.2
105.07033	2.3
106.05503	0.5
107.04942	0.8
107.08595	1.9
109.02880	2.0
115.03938	0.7
119.08582	2.0
121.10152	1.5
127.03923	1.9
129.07024	1.1
131.08549	0.8
133.10094	1.3
135.11700	0.6
147.11740	0.8
149.09621	0.8
149.13283	1.2
157.10152	1.2
159.11823	0.9
185.04251	0.9
193.12303	1.0
203.05205	0.5
211.13339	1.1
222.68149	0.6
233.24023	0.5
243.08401	3.3
251.12650	0.8
269.12430	0.8
307.15030	0.7
312.83575	0.6
347.09540	2.4
365.10583	0.8
405.13678	6.9
453.20920	6.8
469.20450	8.1
615.25995	5.0
631.25604	7.9
681.34418	2.5
766.70160	0.6
843.39722	100.0
844.40131	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	840.546
Annotation	Unknow
Peak:m/z	Relative Intensity
64.51042	3.5
65.16995	3.7
67.05507	83.0
68.63480	3.8
69.03431	22.6
69.07065	55.9
70.83971	9.9
71.04989	14.8
78.58530	3.2
79.05489	86.5
79.05911	7.5
81.03415	21.4
81.07056	86.3
83.04986	14.8
83.08626	11.3
85.02917	8.2
87.04462	3.6
91.05474	57.9
93.07040	85.4
93.07620	4.9
95.04939	20.5
95.08604	53.8
97.02888	15.2
97.06529	84.1
97.10178	5.4
99.08100	7.1
103.97852	3.6
105.07024	41.1
107.04968	7.4
107.08583	42.4
109.02898	5.5
109.06520	17.4
109.10143	18.5
111.08099	7.5
111.26821	3.8
115.05407	4.8
115.07562	24.8
117.07047	23.5
119.08575	26.9
121.06503	5.8
121.10113	26.1
123.08082	6.9
123.11743	4.4
127.03882	8.9
129.07008	7.7
131.08559	30.7
133.06482	5.6
133.10138	29.0
135.08035	12.6
135.11705	15.7
143.08569	7.8
145.10112	15.8
147.07994	5.1
147.11681	11.4
149.13255	12.8
157.10149	10.0
159.11716	12.5
161.09586	7.6
161.13315	5.3
171.11702	5.9
173.04500	5.9
173.09682	4.5
173.13258	5.6
177.12764	6.1
187.14841	5.1
217.15866	12.4
253.14137	4.1
261.22266	7.7
269.17450	15.5
273.18488	34.2
275.09308	4.5
276.42484	4.4
291.19534	17.5
335.25790	100.0
336.26059	6.7
347.22229	11.4
365.23138	9.9
472.26477	4.0
529.38690	34.9
557.38245	5.1
595.53589	5.0
607.42993	5.3
625.44312	18.2
643.45734	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	840.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
64.58125	7.2
67.05504	84.3
67.44193	6.5
69.03405	9.6
69.07057	36.3
71.04999	9.1
71.58337	10.4
79.05492	76.8
81.03416	10.6
81.07053	95.4
83.04982	11.5
83.08603	21.9
85.02894	13.8
85.06558	7.5
91.05477	83.1
93.07050	100.0
95.04943	8.2
95.08588	44.8
97.02848	7.5
97.06522	11.0
105.07037	88.7
105.07704	12.0
106.55927	7.2
107.04982	10.2
107.08595	52.0
109.06540	11.7
109.10146	28.9
117.07025	25.7
119.08568	52.8
121.10154	32.7
123.11730	10.0
129.07014	18.3
131.08585	37.9
133.10139	45.2
135.11678	15.8
143.08545	23.7
145.10127	29.1
147.11685	31.3
149.09636	8.3
149.13287	12.5
155.08580	10.3
157.10104	24.1
159.11662	22.6
161.13268	8.5
167.08600	10.7
169.10110	14.6
171.11719	22.7
173.13264	11.1
181.10069	9.3
183.11714	9.3
184.07350	14.4
185.13159	10.7
221.68556	7.2
241.19574	10.4
257.18927	7.7
259.20587	39.2
269.17267	13.3
275.20004	12.5
277.56888	7.8
299.20331	8.2
333.24310	23.0
333.87637	9.3
435.32397	8.2
461.17221	9.0
480.63632	7.8
513.35712	14.2
527.37384	33.2
607.43481	28.6
625.44507	15.5
672.86365	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	840.546
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	8.4
67.05503	100.0
68.46072	7.2
69.03428	15.3
69.07069	32.3
72.08132	6.8
75.80281	6.3
79.05492	77.3
81.03399	15.8
81.07056	86.1
83.04993	13.2
83.08589	12.5
85.06523	6.5
87.04466	26.1
91.05475	81.3
93.07043	83.4
95.04967	14.9
95.08608	55.6
97.06516	17.6
97.10171	6.8
105.07028	92.5
107.08595	42.3
109.10133	18.1
117.07012	31.8
119.08579	60.6
121.10126	35.0
123.11703	13.5
125.09637	8.1
129.07002	18.8
131.08557	47.5
133.10098	38.2
135.07997	6.0
135.11659	20.7
141.06929	8.6
143.08580	9.7
145.10114	36.0
147.11707	23.4
149.09648	8.3
149.13225	13.9
155.08519	11.8
157.10106	19.6
159.11679	27.0
161.13237	22.3
164.66832	7.5
165.67352	8.0
166.90552	6.4
171.11678	13.6
172.99434	6.3
173.13200	8.6
177.12686	6.7
184.07344	20.8
185.13210	17.6
195.13882	8.0
197.13292	6.5
203.53345	6.1
213.16347	12.8
229.76309	7.4
241.19521	10.7
259.20438	35.9
269.17465	21.7
275.20145	11.8
333.24362	35.7
435.32318	12.5
471.34189	8.0
513.35742	12.3
527.37408	46.9
545.37866	7.3
607.43665	20.8
625.44287	20.3
841.46008	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	838.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04975	0.8
61.02923	7.7
64.18287	0.7
65.03918	1.6
67.05502	36.0
69.03422	4.2
69.06722	0.9
69.07065	11.6
70.71250	0.6
70.71581	1.7
71.04998	4.6
73.02914	2.4
79.05489	29.1
81.03413	39.0
81.07049	46.5
82.07394	0.6
83.01292	0.6
83.04975	11.2
83.08614	18.5
85.02901	17.4
85.06534	2.7
87.04448	0.5
91.03956	4.1
91.05471	24.9
93.07036	32.1
93.33929	0.6
95.04958	16.8
95.08599	14.9
97.02891	5.1
97.06532	6.3
97.10140	3.4
99.04459	0.6
99.08101	1.7
103.05453	1.1
105.07025	14.2
107.04948	4.6
107.08581	17.7
109.02865	0.7
109.06507	4.0
109.10155	2.6
111.04415	2.0
111.08076	7.9
113.06023	2.0
115.05404	1.3
117.07023	4.0
119.08575	11.0
121.06499	2.2
121.10122	12.8
122.10551	0.7
123.08029	1.6
123.11687	1.6
125.09605	1.5
127.03895	1.9
129.06998	7.2
131.08568	9.5
133.06496	1.1
133.10112	9.2
135.08038	1.0
135.11691	4.6
137.09564	0.9
139.11206	0.8
142.07828	0.8
145.05006	1.2
145.10133	0.7
147.08054	2.2
147.11662	9.3
149.09613	3.9
149.13255	13.3
150.13504	0.6
157.10133	8.9
159.11687	6.2
163.06047	2.2
165.12798	2.8
175.11165	7.5
177.12743	3.2
193.12225	24.6
195.13773	5.6
211.13277	36.0
212.13614	1.0
249.14954	0.8
267.15887	27.3
268.16302	0.8
269.17456	52.3
270.17801	2.5
285.16937	30.0
286.17215	1.0
417.25980	1.4
435.27533	1.5
443.27811	1.3
461.28958	62.6
462.29080	3.7
479.30014	100.0
480.30252	6.0
616.29559	0.7
623.34320	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	1.4
61.02921	8.5
63.92459	0.7
65.03927	1.1
67.05502	24.0
68.52119	0.6
69.03413	2.0
69.07067	8.3
71.01350	0.9
71.04994	3.4
71.58649	1.1
73.02911	3.0
79.05488	20.9
81.03407	10.6
81.07049	32.7
83.01331	4.8
83.04977	7.6
83.08604	11.1
83.46603	0.6
85.02900	8.9
85.06541	1.6
87.04472	0.9
91.03954	4.8
91.05472	13.6
93.07034	28.8
94.07375	0.9
95.04964	7.5
95.08592	8.2
97.02879	6.3
97.06517	5.7
97.10142	1.4
99.04449	1.8
99.08076	0.8
105.07027	8.0
107.04945	4.2
107.07870	1.0
107.08589	16.3
109.06515	4.4
109.10148	2.2
111.04414	1.6
111.08068	2.1
117.07001	6.1
119.08559	4.6
119.62761	0.7
121.06521	2.4
121.10131	7.7
123.08056	4.7
123.11697	2.0
125.06084	0.7
125.09606	1.0
127.03941	2.2
129.06989	1.2
131.08548	5.2
133.10110	5.5
135.08055	2.0
135.11671	8.7
137.09528	1.6
145.05003	1.7
145.06519	1.4
145.10117	8.1
147.08046	1.1
147.11697	1.5
149.09604	1.0
149.13252	6.4
151.11104	0.9
153.12708	1.7
157.10089	0.8
159.11670	2.5
163.06001	2.0
163.11162	12.7
173.09685	1.1
177.12746	1.5
181.12288	2.0
191.10680	1.1
193.12250	1.2
195.13774	4.4
209.11729	2.8
211.13283	0.7
213.14890	0.8
221.64832	0.7
227.12849	1.4
267.15897	5.2
269.17465	23.3
283.15381	39.3
285.17026	1.1
401.63782	0.8
413.21072	0.8
433.25818	0.7
459.27701	3.4
477.28442	100.0
478.28647	2.8
481.69046	0.7
520.12616	0.8
604.44373	0.8
621.32361	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	1.3
61.02919	4.3
63.11026	0.5
65.03933	0.7
67.05506	18.2
69.03416	2.1
69.07057	5.8
69.47654	4.4
71.04976	2.3
73.02911	1.3
73.59251	0.6
76.17710	0.5
78.60577	0.5
79.05489	16.6
81.03420	5.5
81.07052	28.6
83.01339	3.7
83.04980	6.5
83.08619	8.1
85.02903	7.2
85.06541	1.5
88.63617	0.4
91.03944	3.0
91.05478	9.0
93.07040	24.7
95.04966	5.1
95.08601	8.1
97.02885	3.7
97.06540	4.6
97.10157	0.7
98.20785	0.5
99.04475	1.6
99.08052	1.0
105.07021	5.3
107.04968	3.6
107.07872	0.7
107.08593	12.5
109.06507	3.9
109.10142	2.3
111.04432	1.5
111.08068	3.0
117.07011	5.6
119.08556	3.8
121.06492	1.7
121.10129	7.3
123.08076	2.8
123.11689	1.2
125.06007	0.7
125.09612	0.7
127.03918	1.5
129.06985	0.5
131.08574	4.0
133.10135	3.8
135.08051	1.6
135.11682	7.3
137.09596	0.8
137.23094	0.5
139.07533	0.6
143.54132	0.5
145.04955	2.0
145.10127	5.8
147.08070	1.2
149.13246	8.8
153.12764	0.8
159.11665	3.7
163.06000	1.0
163.11169	9.2
173.09634	1.4
177.12720	1.8
177.32382	0.5
181.12239	1.4
191.10612	1.5
195.13759	4.2
209.11786	1.4
213.14841	0.8
227.12807	1.5
265.14297	0.8
269.17468	28.5
270.17950	0.8
283.15390	32.8
284.15851	0.8
362.34354	0.6
440.25784	0.6
459.27283	2.7
477.28461	100.0
478.28778	4.3
588.61932	0.7
608.00500	0.6
621.32819	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	6.8
65.03941	1.2
67.05505	34.0
69.03429	3.2
69.07075	11.2
69.92057	2.1
69.92346	7.0
71.04986	5.4
73.02912	2.4
75.98997	1.1
79.05492	30.9
81.03414	9.8
81.07052	35.2
81.07523	2.1
83.01347	1.7
83.04977	14.5
83.08614	12.4
85.02915	10.8
85.06540	2.9
91.03948	4.6
91.05478	29.3
92.03595	1.3
93.07044	33.0
95.04953	16.1
95.08606	14.8
97.02880	9.2
97.06541	6.0
97.10159	14.8
97.96916	1.2
99.04456	2.5
103.05433	1.3
105.07027	23.0
107.04955	10.8
107.08588	21.6
109.06491	6.9
109.10153	14.1
111.04422	8.1
111.08089	5.0
115.05454	1.9
117.07018	11.1
119.04931	1.6
119.08583	15.4
121.06509	5.9
121.10132	9.8
123.04412	2.4
123.08092	5.2
123.11749	3.3
125.02444	1.4
125.09625	9.3
125.68483	1.2
127.03906	2.7
128.06216	1.8
129.06989	5.2
131.04926	2.3
131.08566	12.3
133.06505	3.9
133.10114	21.4
135.04468	1.7
135.08046	7.4
135.11703	9.7
136.07597	1.5
137.05965	2.8
137.09581	2.2
137.83975	1.2
141.07008	2.2
143.08557	4.4
145.04939	1.5
145.06497	8.0
145.08949	1.4
145.10095	11.2
147.04399	1.8
147.08022	6.0
147.11679	5.4
149.06064	1.4
149.09590	4.6
149.13269	4.1
151.07516	1.3
151.11211	6.0
153.01828	5.1
153.09120	3.3
153.12758	4.5
155.08578	3.0
157.10167	4.8
159.08031	1.9
159.11702	4.9
161.05984	2.3
161.09599	3.3
163.06126	1.6
163.11180	11.2
167.07027	4.7
169.10081	2.4
171.08052	1.5
171.10220	1.9
171.11671	3.3
172.03966	5.3
173.04303	1.5
173.06068	1.3
173.09637	4.3
173.13319	1.4
175.07474	1.9
175.11176	2.9
177.12756	2.4
181.04924	2.1
181.10103	1.6
181.12242	4.6
183.11641	1.3
185.09613	1.4
187.11157	2.1
187.14848	3.1
189.11253	4.2
191.07008	1.9
191.10733	3.8
193.10541	1.2
193.12299	5.8
195.13744	2.1
197.13322	3.6
198.09099	2.3
199.09453	1.4
199.11160	1.5
204.06570	5.7
205.06802	2.2
205.12363	1.6
205.15883	1.5
209.11662	2.3
215.11909	1.7
215.14264	2.6
216.12291	1.4
219.11598	1.3
227.12683	3.1
231.13789	2.0
233.15370	4.1
243.11275	16.3
244.11560	7.3
256.11877	1.6
269.17520	5.7
273.14969	1.4
283.15359	8.7
285.12350	12.9
286.12729	4.8
287.16504	2.3
317.14920	9.9
318.15265	6.8
339.23117	6.8
349.21747	2.9
357.24207	4.9
367.22574	13.7
385.23718	23.8
395.26526	1.5
403.24701	6.3
431.28058	3.0
441.26453	3.5
459.27402	100.0
460.27634	3.9
477.28479	91.5
478.28525	3.9
495.29663	6.0
590.66919	1.5
616.13434	1.3
641.25684	1.5
642.26202	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	835.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	3.2
68.94155	1.5
69.03417	5.1
71.04983	1.4
71.58058	1.3
79.05472	2.1
81.03406	6.0
85.02898	8.6
91.05468	2.3
93.07044	4.2
94.06566	4.8
95.04975	1.7
96.08142	4.8
97.02915	2.6
103.05460	1.7
105.07019	2.8
107.04913	1.3
107.08492	1.9
108.08123	10.8
109.02879	2.7
110.09674	9.8
112.48788	1.2
120.08071	7.3
121.10194	1.4
122.06018	13.8
122.09669	4.0
127.03942	1.7
136.07556	16.4
137.05981	3.8
138.09149	13.7
148.07594	7.2
150.09149	3.4
151.04034	1.7
151.07538	1.9
152.07098	4.6
153.01860	3.8
164.07054	2.0
166.08617	22.3
167.07042	2.0
175.03738	2.8
177.05493	1.8
181.04898	2.2
191.06912	1.5
194.08148	2.0
204.06540	2.9
205.04713	5.6
209.10750	3.1
225.10399	1.6
235.08690	4.0
236.09500	6.4
237.10204	19.2
238.10786	2.4
243.11275	4.1
249.10199	15.7
250.10992	5.3
251.11792	9.5
253.09709	6.0
255.11375	2.8
261.10275	2.2
263.08176	3.9
263.11786	2.3
264.08936	12.1
265.09683	13.5
266.10623	1.7
267.11505	6.5
269.09412	2.0
277.09714	18.8
278.10492	5.9
279.08173	2.7
279.11273	18.9
280.08997	1.4
280.12097	1.9
281.09357	6.7
281.12653	1.7
283.10626	1.7
285.12335	3.9
291.07681	3.1
291.11145	3.0
292.08313	4.6
292.11673	2.6
293.09204	42.9
293.12793	10.3
294.09802	3.4
295.10794	5.4
305.09137	10.5
306.09598	2.5
307.10788	17.6
309.08722	5.0
309.12274	7.6
311.10141	4.3
311.13702	1.8
312.11124	3.8
313.11850	4.1
319.11002	2.0
321.12354	1.5
323.10309	12.0
324.11145	2.0
325.11780	5.6
326.12683	1.7
327.13480	3.6
333.08707	5.6
334.58643	1.4
337.11792	5.2
338.12698	2.2
339.09805	2.7
339.13327	12.5
343.12918	2.8
351.09732	40.7
352.10129	2.1
353.11154	2.9
353.14938	3.6
354.12134	2.1
355.12967	6.2
356.13818	3.2
365.11368	5.1
366.12082	13.8
366.15918	2.0
368.14001	3.3
369.14453	3.3
370.11755	1.9
371.12228	11.4
382.11404	2.1
382.15796	1.9
383.12292	19.8
384.12988	2.2
384.17224	2.4
385.14075	7.0
386.14722	2.1
392.13733	1.5
397.13989	8.5
398.14948	4.2
399.15497	3.7
410.15158	2.5
412.16562	2.3
415.15097	1.7
418.17593	3.2
425.15546	1.5
428.15997	4.4
430.17957	1.7
438.14615	3.9
446.17130	11.5
456.15393	6.7
458.17154	4.4
476.18268	8.9
478.19659	5.3
486.16455	3.8
488.17950	4.2
490.19846	4.3
504.17450	1.9
518.19403	15.4
519.20074	10.6
520.20386	1.8
522.22186	1.7
536.20190	19.3
537.83124	1.6
550.21704	15.2
551.22607	10.5
591.22339	2.1
609.23450	7.2
623.24689	5.4
632.21814	1.4
640.24609	5.3
641.26007	32.9
648.21643	2.1
652.25616	2.5
662.23267	2.0
680.24469	33.3
681.25079	17.0
712.26874	4.7
713.27869	100.0
714.27997	5.9
803.31476	2.3
835.30981	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	827.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	11.0
67.05513	12.2
69.03439	5.8
69.07075	4.1
70.13517	2.9
70.13910	7.1
70.23888	1.9
71.05001	3.9
73.02934	5.0
79.05493	7.9
81.03384	9.9
81.07063	10.9
83.04959	2.5
85.02898	11.5
91.03966	8.4
91.05497	11.7
93.07047	7.8
95.04990	4.4
95.08624	4.3
97.02901	8.1
97.10175	2.3
101.02371	2.9
105.07021	4.8
107.08612	3.4
109.02872	3.5
109.10170	3.0
117.07037	3.9
119.08562	4.6
123.11723	2.4
127.03930	3.2
127.26432	2.1
129.07013	2.7
131.08630	3.2
133.10123	3.5
133.84421	2.1
135.11668	2.8
135.30568	2.2
147.11746	2.3
184.07368	2.2
185.04251	6.0
193.12250	4.6
243.08539	8.4
283.15207	15.7
301.08871	13.7
309.16788	3.9
315.10608	4.0
323.18326	3.3
339.17813	2.5
373.11353	3.4
381.18832	3.9
385.18454	8.4
413.18073	5.9
427.19357	5.0
429.17493	3.8
439.19452	8.3
442.46762	2.5
457.21094	2.6
465.28510	2.5
469.20700	4.4
481.20627	8.3
499.21619	4.8
501.23141	41.8
529.22577	17.5
573.25317	11.8
601.28979	4.0
613.32349	3.5
629.31708	2.3
643.33032	5.7
673.34033	8.1
699.35718	28.2
717.30530	2.5
723.39014	24.5
741.36584	53.6
809.42993	8.4
827.43939	100.0
828.44354	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	829.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83551	1.2
61.02924	3.1
67.05502	7.1
69.03445	3.6
69.07079	3.3
71.38224	1.2
71.58310	2.3
73.02921	3.1
79.05489	6.6
81.03423	2.1
81.07072	4.3
83.08643	1.6
83.65435	1.2
85.02911	5.5
86.09708	2.9
91.03956	2.5
91.05492	6.1
93.07042	7.4
95.04984	1.5
95.08614	4.2
97.02905	5.3
101.02431	2.0
102.60883	1.1
105.07053	4.7
107.08612	3.6
109.10175	1.3
115.05413	1.2
117.07019	1.9
117.48148	1.1
119.08608	5.0
121.10150	1.8
125.00045	1.8
129.06993	1.6
131.08585	1.5
133.10127	2.4
147.11711	1.4
159.11739	1.2
184.07309	8.6
185.04198	2.3
241.28976	1.2
243.08499	4.0
301.08884	2.1
313.27496	1.9
315.10724	1.8
317.21008	2.2
368.06683	1.4
426.60107	1.5
465.21393	2.2
525.23236	1.6
535.28900	13.2
607.31274	1.7
645.24518	1.3
779.83295	1.4
829.50647	100.0
830.50946	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	6.2
67.05508	6.4
69.03432	4.6
69.07061	1.3
69.26337	11.7
73.02918	3.1
79.05501	4.6
81.03423	1.4
81.07066	5.7
83.08598	1.4
85.02918	6.1
85.97536	1.0
91.03968	2.5
91.05494	2.9
93.07043	5.1
95.08629	5.7
97.02907	5.0
101.02366	2.0
104.85965	1.2
105.07053	2.4
107.08653	1.5
109.02896	1.7
116.30215	1.1
118.34477	1.0
119.08581	1.8
121.10206	1.3
121.37012	1.2
124.66411	1.0
133.10165	1.4
144.08966	1.0
144.41264	1.2
145.10164	1.2
147.11752	1.2
176.73477	0.9
184.07439	1.5
243.08449	2.0
333.20523	2.1
335.25854	1.2
389.43552	1.0
519.29364	6.6
528.54065	1.1
551.28186	6.4
576.90826	1.2
595.41919	1.2
608.90283	1.1
731.43365	1.3
829.50653	100.0
830.50952	9.2
841.79633	1.2
851.36298	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04983	2.0
60.08171	0.9
61.02926	9.4
65.03947	0.7
67.05505	50.8
69.03439	1.6
69.07067	4.5
70.54044	2.6
71.04974	2.4
71.08630	12.9
73.02899	3.2
79.05476	2.0
79.26344	0.7
80.66631	0.7
81.03413	1.2
81.07055	12.1
83.08621	8.2
84.30751	0.6
85.02905	9.6
85.06526	1.5
85.10183	8.3
86.09695	3.8
89.06023	0.9
91.03957	7.2
91.05473	3.6
93.07035	2.2
95.08604	11.8
97.02883	6.0
97.03448	0.9
97.10151	3.1
99.04431	0.9
109.10154	60.6
110.08971	0.7
111.08106	1.7
111.11739	0.9
119.08590	3.3
123.11709	1.7
125.00019	2.3
127.03912	2.4
130.91229	0.7
137.09616	2.5
145.04953	3.7
155.10674	2.6
163.06007	3.6
168.99312	0.7
173.11731	16.8
184.07339	14.3
229.14349	100.0
230.14650	1.2
239.23691	1.1
249.63429	0.7
257.24716	1.8
278.16452	0.8
313.27353	76.6
467.37326	73.1
468.37558	0.9
638.32404	0.7
638.91443	0.7
653.11591	1.0
805.24170	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	5.6
65.55524	1.0
67.05517	6.7
69.03416	3.8
69.07046	2.3
69.43169	9.2
73.02914	4.8
73.03300	1.0
73.62339	1.1
79.05498	4.3
81.03411	3.8
81.07056	8.4
83.07262	1.1
85.02888	7.1
87.02894	1.0
88.78102	1.1
91.03960	4.3
91.05497	3.0
93.07040	6.1
95.04974	1.5
95.08623	2.5
97.02895	6.9
99.04455	1.4
101.02371	1.8
101.77053	1.1
105.07040	1.6
107.08608	4.0
109.02893	1.9
109.10161	1.4
110.99258	1.0
119.08614	1.3
121.10118	2.5
127.03901	2.5
131.08678	1.2
133.10158	1.3
135.11739	1.2
149.13260	2.7
159.11717	1.1
161.94341	1.1
180.46021	1.3
194.54515	1.4
235.13072	2.4
243.08521	3.3
268.50272	1.4
271.13837	1.4
283.14505	1.1
308.59445	1.5
336.25409	1.4
347.09564	2.7
365.10312	1.1
405.13675	5.4
453.20959	19.6
615.26251	13.5
665.34552	1.8
804.33020	1.3
827.40240	100.0
828.40533	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	824.5506
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	90.2
69.07056	33.3
71.28615	21.3
71.28951	10.1
79.05489	96.2
81.07053	76.8
83.08626	17.2
86.09696	22.4
91.05465	35.5
93.07037	82.9
95.08598	50.1
105.07024	34.5
107.08581	45.6
109.10164	16.0
111.08048	11.6
119.08583	27.9
121.10142	33.3
124.99941	15.4
131.08575	18.6
133.10121	22.4
135.11682	17.2
145.10132	20.2
149.13243	18.6
154.58957	11.4
184.07332	100.0
185.07657	20.8
185.83214	11.7
216.08870	10.5
255.16077	23.8
269.17520	29.3
275.20001	18.1
335.25797	94.2
349.23541	16.9
466.77649	11.2
529.38965	70.0
552.84930	12.8
609.44189	16.9
627.46289	13.7
651.41327	10.9
766.89801	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	826.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89335	0.6
62.63949	0.6
65.03931	0.8
69.03432	4.4
70.28091	0.5
71.24323	0.8
71.24676	0.9
79.01842	1.5
81.03413	23.5
85.02882	2.7
95.01328	2.3
97.02889	2.7
99.04453	1.1
103.42358	0.6
109.02879	13.7
113.02354	0.7
119.01290	1.4
121.02849	1.8
123.00811	1.8
127.03931	5.0
133.02831	0.8
137.02293	1.0
139.03853	0.9
140.81337	0.6
141.01778	1.3
143.03409	1.0
147.00775	0.8
149.02312	1.8
151.00253	1.0
153.01823	4.4
163.03972	1.0
165.01857	7.3
166.99861	0.6
167.03401	2.7
169.01370	0.8
177.01772	1.6
182.99326	0.8
191.03349	0.9
193.01331	27.1
195.02867	1.8
197.00775	0.9
203.03497	0.6
203.10492	0.6
205.01346	1.6
211.02417	2.1
217.01364	0.7
219.03014	1.4
221.00804	100.0
222.01091	2.1
225.50372	0.8
226.98479	1.0
231.02913	1.4
239.01855	4.9
242.52693	0.6
245.00467	1.0
247.02374	8.3
248.43800	0.7
257.02930	4.2
257.05264	0.7
259.02432	2.1
263.01385	1.0
267.01703	0.9
273.00238	1.7
273.03809	0.8
275.01877	6.4
277.03329	2.3
291.01392	0.8
301.03326	0.9
303.01282	7.5
329.02823	0.7
365.04895	3.8
383.06171	1.3
401.05255	0.8
419.05893	2.8
429.04480	0.8
447.05441	2.8
449.03366	1.5
459.01489	1.6
466.69925	0.7
477.03027	5.5
495.03732	1.3
541.05090	0.8
603.06146	6.4
620.97772	1.2
621.07147	12.3
639.08282	17.2
640.07825	0.9
700.90363	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.43182	1.0
61.02916	3.2
65.03940	5.8
67.05501	95.9
69.03434	7.6
69.06676	1.6
69.07063	30.4
69.36826	10.9
71.01364	1.6
71.04984	5.8
73.02897	1.7
74.24563	1.1
77.03910	1.2
79.05489	66.9
81.03419	10.9
81.07053	96.1
82.07389	1.4
83.04979	12.2
83.08606	14.3
85.02899	6.6
85.06539	2.9
86.03516	1.1
91.04894	2.3
91.05476	53.2
93.07037	78.4
95.04964	16.7
95.08601	59.2
97.02891	6.3
97.06528	13.0
97.10130	5.5
98.21589	2.1
99.04465	2.3
99.08099	4.7
103.05463	1.1
105.04543	1.4
105.07027	36.8
107.04969	5.7
107.07865	2.4
107.08589	45.3
109.02874	1.2
109.06521	6.3
109.10152	21.4
111.04459	1.9
111.08087	5.2
115.05414	1.6
117.07006	20.0
119.08571	30.5
121.06510	4.0
121.10131	28.7
121.11019	1.4
123.08066	4.2
123.11733	7.2
125.09624	3.3
125.30938	1.1
127.03919	3.5
128.06203	1.8
129.05507	1.8
129.07010	5.6
131.08556	23.0
133.10135	22.6
135.08060	4.3
135.11678	22.5
137.09625	2.7
137.13205	1.6
141.06947	2.3
142.07759	1.8
143.08557	5.0
145.10110	17.5
147.08020	1.3
147.11673	10.9
149.09618	8.7
149.13248	14.9
151.11215	1.8
155.08607	1.9
157.10114	5.4
159.11667	14.2
161.13232	7.2
163.11198	5.8
163.14832	3.4
165.12743	2.5
169.10173	2.4
171.11696	4.8
173.04483	2.6
173.13249	9.7
175.11244	1.2
175.14833	2.4
177.12755	4.4
179.14276	2.1
183.11713	3.2
184.07397	1.1
185.13284	3.0
187.11102	1.4
187.14842	2.7
189.11145	1.6
189.16609	1.3
195.13800	6.7
197.13290	2.9
199.14841	2.4
201.16402	2.0
205.15938	1.2
213.12709	1.2
213.16489	1.9
215.17915	1.5
219.17540	1.3
222.78598	1.1
227.12738	2.7
229.19521	1.6
239.17958	2.5
243.12215	1.1
243.21107	3.7
251.16351	1.1
255.15869	13.1
257.19034	6.1
259.20636	2.6
261.22153	13.0
267.15930	2.6
269.17447	32.4
275.20044	26.9
275.23126	1.5
293.20956	1.9
309.20764	3.1
317.24780	4.6
331.22803	1.9
332.38284	1.4
333.24347	1.5
335.25772	100.0
336.25894	2.2
349.23734	20.3
367.24823	3.7
413.21606	2.5
437.34305	1.9
489.35254	1.5
493.36444	1.1
515.37262	19.0
516.37500	1.7
529.38861	79.0
530.38885	2.6
569.41754	4.4
609.45087	21.3
610.45288	1.9
627.46112	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	824.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02703	0.9
61.02922	9.3
65.03931	2.5
67.05502	46.9
69.03415	6.0
69.07068	13.4
71.01353	2.9
71.05001	6.6
71.58309	1.5
73.02892	1.8
79.05489	43.9
81.03415	50.5
81.07056	33.1
83.04983	18.4
83.08622	16.2
85.02906	24.4
85.06519	3.8
91.03944	5.0
91.05481	33.7
91.76989	1.1
93.07040	52.5
95.04966	25.8
95.08617	11.0
97.02902	8.3
97.06530	11.2
97.10171	11.8
99.04468	2.1
99.08078	3.7
103.05428	1.3
105.07028	19.3
107.04942	6.4
107.08592	33.7
109.06483	4.6
109.10136	8.4
111.04440	1.5
111.08076	8.4
113.06039	1.3
117.07002	5.4
119.08571	19.9
121.06522	3.0
121.10147	11.3
123.08020	1.8
125.09553	2.6
127.03854	1.8
129.07008	7.5
131.04866	1.2
131.08586	8.3
133.06485	3.0
133.10132	10.1
135.11688	37.9
137.05992	2.1
137.09593	2.4
142.07745	2.1
143.08601	1.3
145.04932	2.4
145.10127	8.3
147.08052	2.3
147.11687	11.5
149.09645	4.4
150.09369	1.3
153.01836	1.5
157.10115	10.0
163.05974	2.3
163.11153	5.6
165.12729	2.6
167.06999	2.3
175.11188	7.9
181.04979	1.2
181.12225	8.4
193.12245	26.0
194.12526	1.6
199.13243	1.7
205.54169	1.1
209.08023	1.1
211.13292	31.4
255.15903	83.4
267.15903	20.7
285.16934	22.6
421.25781	2.5
447.27444	42.1
448.27890	1.9
465.28467	100.0
466.28802	1.6
477.27103	1.1
566.88635	1.3
609.32874	1.7
849.81934	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
60.18219	2.8
65.03925	3.2
67.05489	5.8
68.70177	2.0
69.03417	5.2
69.37672	17.3
69.38101	6.9
70.84290	2.4
79.05481	8.9
80.19368	2.5
81.03401	14.0
81.07042	5.3
83.04985	2.7
85.02898	6.5
91.05450	13.3
93.07025	9.8
94.06561	9.5
95.04979	3.5
95.07320	4.3
95.08590	3.1
96.08130	10.0
97.02885	3.4
97.06517	3.5
103.05478	7.7
105.07027	8.5
106.06558	3.6
107.04961	6.5
107.07352	6.1
107.08569	3.5
108.08126	32.7
109.02855	6.8
109.10149	3.6
110.09666	13.6
111.04372	2.8
115.05457	4.1
120.08100	28.8
121.06512	10.4
122.06062	3.0
122.09649	21.4
124.07587	4.6
125.05944	2.6
127.03907	3.5
129.07036	3.6
131.04913	6.4
131.07318	8.3
131.08421	2.7
132.08069	7.2
133.06419	4.2
133.09993	2.6
134.09627	5.2
136.07556	21.2
137.06001	8.2
138.09125	37.7
146.06007	7.6
146.09616	7.6
148.07593	19.0
150.09114	21.9
152.07126	3.9
153.01820	10.5
153.05336	4.1
154.04942	2.8
158.09642	3.2
160.07564	11.0
161.06032	3.1
162.09169	9.0
163.07599	3.3
164.07037	8.2
166.08620	21.6
167.07050	20.1
168.10161	3.0
168.27701	2.6
172.03940	8.2
172.07564	3.6
173.10843	2.7
174.09172	35.3
176.10710	2.9
177.05501	3.4
181.04982	7.3
182.08116	3.8
186.09143	3.7
190.04967	5.0
191.07034	9.0
192.10202	46.3
193.08591	3.1
194.08096	3.2
197.10753	4.3
198.09193	4.5
199.08733	5.8
201.10268	6.8
202.08614	11.8
204.06552	10.1
204.10240	3.4
213.10265	10.7
215.08194	6.4
215.11774	4.9
220.09718	30.0
223.08617	4.0
225.10213	7.4
227.08080	22.8
227.11726	4.9
229.09695	6.4
237.10237	9.0
239.11763	6.6
240.08955	3.0
241.09714	20.0
243.11324	7.9
245.09238	4.2
246.11234	6.2
251.08244	7.3
251.11710	3.1
253.09837	18.5
255.11272	6.6
257.12674	2.9
259.10797	6.6
265.09659	17.3
266.10455	5.1
267.11346	13.6
268.11966	3.8
269.09174	13.9
269.12723	3.5
271.10730	5.6
271.14395	3.7
274.10782	3.5
276.12259	4.9
279.11194	6.4
280.08578	3.6
281.09268	13.3
283.10687	6.4
285.12329	7.0
287.10300	10.6
292.11670	3.4
293.09195	18.4
295.10699	15.5
297.08627	2.9
297.12048	4.1
299.13803	3.6
303.13437	2.9
307.10785	7.3
309.12045	3.8
310.12781	10.9
311.10199	9.1
313.11795	14.9
321.08435	4.9
323.10257	10.2
325.11609	8.7
329.11456	3.1
335.10306	3.4
339.09744	6.2
341.11179	5.0
342.15854	3.0
353.11530	3.3
355.12823	5.5
367.12476	4.4
373.13742	3.3
385.14209	3.3
395.12534	5.8
400.16397	4.6
403.15024	3.5
413.13367	6.4
417.14999	3.7
428.15939	3.4
431.14026	13.4
439.14740	4.2
442.17563	3.4
446.16666	4.7
455.14252	3.8
457.15857	3.4
460.18695	5.1
463.16812	4.5
483.13950	8.8
485.15314	6.4
488.17728	3.1
497.15109	3.1
507.17950	2.8
515.16382	6.4
517.17810	3.2
518.19025	3.2
536.19983	6.9
548.19733	3.7
554.21313	5.8
568.20483	4.9
586.21558	5.2
604.22333	10.2
606.24017	8.7
614.21216	7.4
622.23877	16.0
632.22449	22.2
636.25146	4.9
646.23547	4.0
650.23401	100.0
654.26263	3.6
664.24603	17.2
665.23120	9.6
668.23944	13.7
682.25970	49.5
691.27399	4.1
709.27728	5.2
727.30304	3.9
737.28174	3.4
745.30768	4.4
755.28851	12.1
769.30609	3.8
773.29865	22.0
787.31042	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	823.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
60.18219	2.8
65.03925	3.2
67.05489	5.8
68.70177	2.0
69.03417	5.2
69.37672	17.3
69.38101	6.9
70.84290	2.4
79.05481	8.9
80.19368	2.5
81.03401	14.0
81.07042	5.3
83.04985	2.7
85.02898	6.5
91.05450	13.3
93.07025	9.8
94.06561	9.5
95.04979	3.5
95.07320	4.3
95.08590	3.1
96.08130	10.0
97.02885	3.4
97.06517	3.5
103.05478	7.7
105.07027	8.5
106.06558	3.6
107.04961	6.5
107.07352	6.1
107.08569	3.5
108.08126	32.7
109.02855	6.8
109.10149	3.6
110.09666	13.6
111.04372	2.8
115.05457	4.1
120.08100	28.8
121.06512	10.4
122.06062	3.0
122.09649	21.4
124.07587	4.6
125.05944	2.6
127.03907	3.5
129.07036	3.6
131.04913	6.4
131.07318	8.3
131.08421	2.7
132.08069	7.2
133.06419	4.2
133.09993	2.6
134.09627	5.2
136.07556	21.2
137.06001	8.2
138.09125	37.7
146.06007	7.6
146.09616	7.6
148.07593	19.0
150.09114	21.9
152.07126	3.9
153.01820	10.5
153.05336	4.1
154.04942	2.8
158.09642	3.2
160.07564	11.0
161.06032	3.1
162.09169	9.0
163.07599	3.3
164.07037	8.2
166.08620	21.6
167.07050	20.1
168.10161	3.0
168.27701	2.6
172.03940	8.2
172.07564	3.6
173.10843	2.7
174.09172	35.3
176.10710	2.9
177.05501	3.4
181.04982	7.3
182.08116	3.8
186.09143	3.7
190.04967	5.0
191.07034	9.0
192.10202	46.3
193.08591	3.1
194.08096	3.2
197.10753	4.3
198.09193	4.5
199.08733	5.8
201.10268	6.8
202.08614	11.8
204.06552	10.1
204.10240	3.4
213.10265	10.7
215.08194	6.4
215.11774	4.9
220.09718	30.0
223.08617	4.0
225.10213	7.4
227.08080	22.8
227.11726	4.9
229.09695	6.4
237.10237	9.0
239.11763	6.6
240.08955	3.0
241.09714	20.0
243.11324	7.9
245.09238	4.2
246.11234	6.2
251.08244	7.3
251.11710	3.1
253.09837	18.5
255.11272	6.6
257.12674	2.9
259.10797	6.6
265.09659	17.3
266.10455	5.1
267.11346	13.6
268.11966	3.8
269.09174	13.9
269.12723	3.5
271.10730	5.6
271.14395	3.7
274.10782	3.5
276.12259	4.9
279.11194	6.4
280.08578	3.6
281.09268	13.3
283.10687	6.4
285.12329	7.0
287.10300	10.6
292.11670	3.4
293.09195	18.4
295.10699	15.5
297.08627	2.9
297.12048	4.1
299.13803	3.6
303.13437	2.9
307.10785	7.3
309.12045	3.8
310.12781	10.9
311.10199	9.1
313.11795	14.9
321.08435	4.9
323.10257	10.2
325.11609	8.7
329.11456	3.1
335.10306	3.4
339.09744	6.2
341.11179	5.0
342.15854	3.0
353.11530	3.3
355.12823	5.5
367.12476	4.4
373.13742	3.3
385.14209	3.3
395.12534	5.8
400.16397	4.6
403.15024	3.5
413.13367	6.4
417.14999	3.7
428.15939	3.4
431.14026	13.4
439.14740	4.2
442.17563	3.4
446.16666	4.7
455.14252	3.8
457.15857	3.4
460.18695	5.1
463.16812	4.5
483.13950	8.8
485.15314	6.4
488.17728	3.1
497.15109	3.1
507.17950	2.8
515.16382	6.4
517.17810	3.2
518.19025	3.2
536.19983	6.9
548.19733	3.7
554.21313	5.8
568.20483	4.9
586.21558	5.2
604.22333	10.2
606.24017	8.7
614.21216	7.4
622.23877	16.0
632.22449	22.2
636.25146	4.9
646.23547	4.0
650.23401	100.0
654.26263	3.6
664.24603	17.2
665.23120	9.6
668.23944	13.7
682.25970	49.5
691.27399	4.1
709.27728	5.2
727.30304	3.9
737.28174	3.4
745.30768	4.4
755.28851	12.1
769.30609	3.8
773.29865	22.0
787.31042	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	822.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	6.9
65.03928	6.0
67.05501	41.0
69.03419	9.2
69.07052	23.9
69.74487	23.3
73.49051	3.0
79.05486	27.5
81.03397	4.5
81.07065	31.1
82.29844	3.1
83.08605	9.4
86.09690	10.9
91.05485	19.7
93.07039	29.3
95.04964	7.5
95.08601	30.8
96.74535	3.7
97.02868	8.4
97.10163	9.2
98.20766	7.4
99.03365	2.9
105.07017	13.2
107.08582	17.6
109.10149	14.6
117.07033	8.5
119.08546	17.0
121.10171	10.6
123.08018	4.3
124.99942	9.8
125.09637	6.6
131.08539	10.6
133.10057	4.1
135.11658	4.5
145.10100	5.5
147.08064	5.9
149.09613	3.8
155.96230	3.5
159.11673	5.6
161.13293	5.5
161.49977	3.4
183.72583	3.8
184.07309	40.4
223.13309	12.2
261.22168	9.3
273.18472	11.5
291.19537	100.0
308.49515	3.3
335.25769	79.2
355.97092	3.4
365.23169	39.3
545.38245	5.3
625.44580	71.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	44.1
69.07059	24.5
69.43925	28.5
69.44350	55.5
73.49568	8.0
79.05479	38.7
81.07043	35.5
84.77549	8.2
86.09714	14.2
87.67931	9.0
91.05482	21.0
93.07021	26.3
95.04977	11.5
95.08592	29.6
101.19613	8.6
105.07019	16.6
107.08566	14.5
109.10155	14.2
110.17213	8.0
117.06993	16.8
119.08544	20.4
121.10054	9.8
124.99963	10.6
131.08562	13.1
135.11705	17.1
170.29779	9.8
184.07330	38.0
225.90404	8.6
227.12825	10.3
249.14963	8.3
291.19583	100.0
307.78961	11.1
335.25674	70.1
365.23175	48.0
586.39294	9.0
625.44806	79.0
773.28326	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	822.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	18.8
59.04992	3.6
61.02913	3.7
65.03942	4.3
65.62527	1.5
67.05502	100.0
69.03425	10.1
69.07069	42.0
71.01353	2.8
71.04983	12.9
73.02898	2.5
79.05492	64.7
81.03416	87.4
81.06583	3.6
81.07056	70.3
81.15645	1.6
83.04983	14.1
83.08614	25.0
85.02892	4.3
85.06532	6.4
87.04470	2.0
91.05479	59.8
93.07038	50.0
95.04967	44.0
95.08601	34.8
97.02879	8.4
97.06520	15.0
97.10158	11.1
99.04485	2.5
99.08072	2.7
103.05440	2.0
103.11819	1.6
105.07028	42.4
107.04948	17.8
107.08591	30.0
109.02840	1.7
109.06519	9.8
109.10153	49.2
111.04431	3.9
111.08093	11.3
113.05949	1.9
115.05423	3.1
117.07020	18.2
119.04903	2.8
119.08578	34.9
121.06515	11.2
121.10126	19.8
123.04443	2.3
123.08031	8.4
123.11718	3.3
125.09619	10.8
128.00252	1.7
129.06999	16.1
131.08556	24.1
133.06458	4.1
133.10144	21.0
135.08046	4.2
135.11681	9.5
137.09607	13.0
141.07028	2.8
142.07777	3.6
143.08514	5.6
145.06471	2.9
145.10103	15.3
147.08046	5.2
147.11685	13.7
149.09618	24.9
149.13237	2.6
151.11179	4.5
155.08528	3.6
155.10654	3.0
157.10120	15.5
159.11693	7.4
161.09605	3.5
161.13274	2.4
163.11162	12.8
165.12721	2.7
169.10149	3.5
171.11719	4.1
173.09627	3.1
173.11743	15.7
173.13173	2.9
175.11238	10.9
177.12782	2.2
179.14285	3.3
181.10243	1.7
181.12253	3.3
183.11696	3.5
185.13147	2.2
189.11243	7.4
189.12793	1.9
191.10690	3.8
193.12241	36.5
203.14372	2.0
211.13281	4.2
223.13220	4.1
225.14836	3.7
227.12743	9.4
229.14349	35.8
239.18050	2.7
243.15962	4.2
249.14912	4.9
253.38834	1.9
255.15854	2.6
257.18997	3.1
267.15921	82.5
269.17499	4.8
273.18475	4.0
275.20068	18.9
291.19614	7.1
315.18063	2.4
329.20798	4.2
349.23715	16.5
355.22763	2.9
375.16956	1.8
403.24747	3.9
417.25867	2.0
421.25946	24.2
428.77975	1.9
429.26208	2.4
435.27478	5.0
445.29538	2.1
447.27542	21.0
461.29022	3.1
541.35254	29.2
557.34375	2.3
559.36267	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	822.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	6.6
61.02922	4.0
64.84392	0.6
65.03941	0.7
67.05504	33.3
69.03430	1.3
69.07066	11.7
71.04977	2.5
73.02893	1.2
73.79427	0.8
79.05491	19.7
79.30167	0.6
81.03427	4.3
81.07053	42.9
83.04999	4.7
83.08617	9.2
85.02907	5.0
85.06548	2.5
91.03976	3.5
91.05474	13.0
93.07039	28.3
95.04955	3.0
95.08598	10.9
97.02895	2.7
97.06522	6.0
97.10188	1.3
99.04447	0.9
99.08068	1.2
105.07033	5.9
107.04996	1.3
107.08593	17.6
109.06527	2.2
109.10154	3.5
111.08069	4.3
117.07024	5.4
119.08590	2.8
121.06497	1.7
121.10143	9.6
123.08055	1.4
123.11723	2.4
125.09675	1.3
127.03917	1.2
129.06989	1.0
131.08580	5.6
133.10133	6.5
135.08015	1.0
135.11691	5.2
145.04993	1.0
145.10118	1.0
147.11653	1.7
149.13261	15.0
151.11172	0.9
157.10156	0.8
159.11670	4.9
163.14146	0.7
173.09756	0.9
173.11749	0.9
177.12758	2.4
193.12242	1.1
195.13780	5.2
213.14853	0.9
251.16345	1.3
267.16022	1.0
269.17474	38.5
301.16501	0.9
463.30533	100.0
464.30695	4.3
507.14047	0.8
607.34674	2.1
787.90643	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	31.0
57.07070	8.1
59.04984	4.0
61.02923	6.7
65.03930	4.0
67.05505	100.0
69.03419	12.1
69.07059	21.6
69.87150	3.3
70.06584	4.8
71.04977	5.9
71.58125	5.9
73.02910	10.0
76.45827	3.3
79.05491	45.3
81.03404	23.8
81.07051	44.5
83.01369	3.8
83.04981	19.8
83.08636	19.3
83.09054	3.0
85.02895	15.3
85.06527	5.3
87.04476	4.7
88.07652	4.8
91.05479	38.9
93.07047	27.3
95.04969	22.1
95.08598	18.3
97.02863	8.6
97.06506	7.4
97.10169	25.6
98.07323	4.0
105.07024	18.5
107.04942	10.5
107.08598	20.6
109.06499	7.3
109.10159	59.7
111.08035	7.4
116.04701	11.8
117.06996	10.9
119.08601	20.4
121.10157	14.0
125.09641	30.6
127.11179	3.6
129.05463	33.0
131.08549	9.0
133.10071	4.0
135.11702	9.2
137.09622	6.8
143.07028	6.2
143.10706	7.0
145.10106	9.7
147.08147	3.5
147.11716	5.9
149.02330	13.2
149.09584	3.4
157.08620	12.8
157.10020	4.5
163.11234	9.9
171.10262	3.7
173.09578	3.9
173.11710	27.2
184.07343	4.8
189.11285	5.8
191.10767	4.3
193.04941	4.1
193.12196	7.7
193.57155	3.6
199.13304	14.2
209.11752	8.5
211.13336	4.6
227.12759	10.3
228.23193	10.0
229.14334	36.1
267.15814	8.0
269.17471	3.8
283.15421	9.2
301.16458	60.8
369.50754	3.7
371.24487	5.1
383.24216	7.6
399.23825	8.6
455.26266	12.7
527.28394	4.5
625.35339	9.0
822.37006	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	822.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	6.8
57.07081	0.8
61.02917	5.5
65.03935	1.7
67.05501	33.2
68.05839	0.8
69.03411	2.1
69.07069	12.7
69.77403	0.6
70.31515	1.4
70.31932	1.3
71.04994	2.9
72.97894	0.5
73.02913	1.3
79.05488	19.7
81.03416	3.3
81.07051	43.2
83.04962	3.4
83.08612	8.8
85.02901	5.4
85.06535	2.7
91.03951	2.9
91.05471	12.0
93.07039	29.6
93.07635	1.3
95.04974	4.6
95.08601	10.1
97.02872	3.0
97.06530	5.7
97.10166	1.5
99.04443	1.0
99.08103	0.8
105.07018	3.9
106.78310	0.5
107.04951	0.9
107.08590	17.2
109.02850	0.7
109.06511	1.3
109.10146	4.0
111.08071	3.1
113.06014	0.6
115.05421	0.9
117.07018	4.1
119.08571	2.5
121.06492	1.6
121.10134	9.2
123.08117	0.8
123.11705	1.7
125.09642	1.3
127.03916	1.2
129.06984	0.7
131.08553	5.0
133.10129	7.3
135.08075	1.5
135.11667	3.9
139.11148	0.7
145.05045	1.0
145.10078	0.6
147.11646	1.1
149.09583	1.3
149.13251	14.1
157.10042	0.6
159.11670	6.3
160.40779	0.5
163.06056	0.8
167.14273	0.7
177.11411	0.5
177.12698	3.1
184.07301	0.7
193.12335	0.7
195.13829	8.7
213.14848	1.8
227.12842	0.9
229.14240	0.8
251.16412	1.2
269.17474	36.0
270.17935	1.3
317.30026	0.6
445.29550	0.7
463.30527	100.0
464.30679	5.2
552.00513	0.7
607.34528	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	5.8
57.07039	0.9
61.02920	6.4
65.03943	1.3
67.05500	37.1
69.03416	2.7
69.07067	11.8
70.16588	3.2
71.04994	3.6
73.02914	2.4
79.05489	24.1
81.03413	6.9
81.07054	49.4
82.07367	1.1
83.04977	4.0
83.05394	0.6
83.08616	10.8
84.34890	0.6
85.02896	8.2
85.06538	2.4
91.03978	3.5
91.04906	0.8
91.05474	16.5
93.07038	32.5
95.04977	6.4
95.08607	12.4
97.02885	3.5
97.06516	6.8
97.10156	1.9
99.04444	0.9
99.08078	2.0
105.07030	8.4
107.04937	1.9
107.08586	20.2
109.02897	0.8
109.06512	2.5
109.10149	4.9
111.07372	0.6
111.08068	3.9
117.07014	7.6
119.08571	6.6
121.06501	2.7
121.10149	9.8
123.08044	1.7
123.11700	2.0
125.09630	1.6
127.03885	1.7
127.07443	0.8
129.07008	2.8
131.08556	9.4
133.06454	0.9
133.10136	10.5
135.08061	2.5
135.11668	7.1
137.05989	0.8
137.09618	1.1
139.11118	1.0
140.54166	0.7
141.07014	0.9
143.08572	2.2
145.04980	1.3
145.10150	3.5
147.08034	1.0
147.11694	2.1
149.09578	1.8
149.13240	14.3
151.11168	1.5
155.08582	1.1
157.10089	3.1
159.11714	8.5
161.09625	0.6
163.05997	1.0
167.07092	0.7
167.14355	0.7
169.10155	1.7
171.11729	1.7
174.70491	0.7
175.11183	0.9
177.12735	2.9
181.10118	1.0
183.11682	1.2
184.07272	0.9
185.13158	0.8
187.14838	0.7
189.11235	0.7
193.12292	0.9
195.11928	0.8
195.13789	8.4
217.15660	0.7
227.12761	0.8
229.14291	1.0
251.16449	2.0
257.06064	0.7
267.15927	2.7
269.17465	24.9
291.19528	1.3
317.52191	0.8
353.24689	2.7
371.25745	1.9
389.26859	1.1
445.29413	15.4
463.30530	100.0
464.30801	5.4
477.28259	1.0
481.31601	1.2
498.74704	0.8
557.34747	1.2
607.34833	6.4
668.35059	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	21.5
59.04976	1.6
60.00020	1.3
61.02925	78.3
65.03920	2.3
67.05502	32.1
69.03085	2.0
69.03429	28.3
69.07066	8.3
69.29466	14.2
71.01347	3.9
71.04987	4.9
73.02914	25.0
75.04468	2.2
79.05491	26.3
81.03413	22.6
81.07047	29.4
83.01312	1.6
83.04970	3.9
83.08616	3.3
84.66560	1.3
85.02903	100.0
87.04456	3.1
91.03507	0.9
91.03949	58.5
91.05465	12.3
93.07039	23.7
95.04970	5.8
95.08602	28.9
97.02890	72.1
97.06528	1.5
99.04453	12.5
101.02396	6.4
102.09190	1.9
103.03944	7.0
105.07029	9.8
107.08581	14.9
109.02876	13.2
109.10161	13.0
111.04449	2.0
111.08113	1.5
115.03934	5.9
115.05482	1.2
117.05543	2.3
117.07014	6.3
119.08594	9.7
121.06467	2.1
121.10159	12.9
122.59005	1.3
123.11697	4.6
127.03905	34.7
129.05487	4.0
129.07002	2.5
131.08577	9.2
133.10133	6.8
135.11703	8.0
137.06023	1.6
137.13315	1.6
139.03917	1.7
141.05440	1.3
143.08592	1.7
145.04944	30.3
145.10158	4.2
146.73500	1.3
147.11661	4.3
149.02287	2.3
149.13249	5.3
151.21571	1.3
157.05054	1.9
157.10165	1.7
159.06575	3.0
159.11749	6.2
161.13240	4.2
163.06029	14.9
163.14827	3.2
171.06639	1.6
171.11641	2.9
173.13261	4.5
183.06557	6.9
185.13333	1.9
187.14841	3.3
193.04871	2.1
199.14938	2.4
201.07648	4.8
206.47789	1.5
219.08546	1.7
228.23254	2.4
233.22607	1.3
241.19516	1.6
243.21080	3.3
259.20639	3.1
261.22131	12.8
277.21741	1.5
299.33618	1.4
303.23108	2.2
317.24774	1.6
335.25800	48.9
341.24799	1.5
345.24124	1.7
369.24286	4.8
377.26849	3.4
443.27798	3.3
461.28812	4.2
479.30078	7.9
497.30960	2.0
655.45258	1.5
693.17938	1.5
822.37012	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.2
63.05624	3.0
67.05502	59.0
69.03426	14.1
69.07071	20.1
69.35278	24.4
69.35695	6.2
73.02906	3.0
79.05492	58.5
81.07054	57.7
83.04976	8.7
83.08615	38.1
84.47769	3.3
85.06527	3.3
86.09718	7.0
91.05469	61.2
93.07042	45.5
95.04964	8.9
95.08612	32.6
97.06516	4.2
97.10170	65.9
98.20749	4.3
103.05460	6.0
103.39490	3.2
105.07027	18.2
107.08599	37.6
109.10143	15.5
111.08053	4.6
112.08703	7.1
115.05463	7.6
117.07008	36.8
119.08580	74.3
121.06506	4.1
121.10164	10.3
124.99969	4.8
125.09622	49.1
128.06207	4.2
129.06956	6.4
131.08580	18.1
133.10139	6.4
134.42572	3.1
135.08047	10.0
135.11691	7.6
139.98711	3.0
143.08556	6.5
145.06483	32.6
145.10100	9.6
147.08029	9.3
149.13316	4.3
150.78084	3.1
153.09065	6.2
155.08495	4.2
157.10153	4.1
159.08057	12.9
159.11707	6.0
161.09598	3.1
171.07652	3.0
171.10127	4.9
184.07326	13.9
189.11208	43.3
227.10510	5.4
227.12776	100.0
227.14935	7.2
243.21239	5.1
261.22186	14.1
271.16907	63.2
289.17957	13.8
303.28806	3.8
324.64569	3.4
335.25836	30.8
345.20593	11.0
363.21539	16.5
483.88995	4.0
487.33997	3.6
505.35037	12.4
605.42188	17.8
623.43073	48.4
764.85345	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	820.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	9.3
58.39154	3.8
59.05005	4.9
67.05499	82.5
69.03427	10.1
69.07069	23.1
79.05486	80.1
80.64890	3.9
81.07056	75.2
83.04955	4.6
83.08608	50.7
91.05482	68.4
93.07039	56.0
95.04935	7.6
95.08607	45.7
97.06541	4.6
97.10158	86.4
105.07027	29.1
107.04934	4.7
107.08575	63.2
109.06540	5.8
109.10149	27.1
115.05436	9.9
117.07008	40.2
119.08565	89.8
121.10112	25.2
123.11701	6.2
124.99999	3.8
125.09618	79.0
129.07001	5.8
129.91125	4.2
131.08591	20.0
132.52446	3.7
133.10141	9.7
135.08047	13.9
135.11687	15.1
142.07803	4.9
143.08537	8.4
143.10674	5.0
145.06464	40.6
145.10110	12.7
147.08054	8.4
147.11694	9.9
149.13193	6.0
153.09120	6.5
155.08508	3.8
157.10085	4.5
159.08058	14.3
159.11716	11.8
161.13254	5.1
163.07562	4.8
163.14801	6.1
171.10204	5.6
173.09650	5.9
173.13206	7.8
184.07341	21.2
189.11198	62.9
227.12767	100.0
243.17380	6.0
243.21049	5.7
253.15845	8.5
261.22153	28.3
271.16904	72.9
289.17935	17.8
317.25131	4.1
335.25778	87.3
345.20496	19.1
363.21625	24.9
487.34146	12.7
505.35388	45.9
586.68103	4.7
605.42029	34.8
623.42914	77.3
624.43060	5.5
716.01166	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	818.416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.2
60.16390	0.8
61.02917	2.9
65.26971	1.0
65.27982	0.7
65.30155	0.8
67.05170	1.3
67.05502	14.9
69.03416	2.4
69.07071	4.2
71.57834	1.4
73.02924	0.9
79.05493	15.3
81.03413	2.1
81.07057	10.9
81.68368	1.0
83.04964	1.9
83.08613	11.8
85.02897	3.7
85.06569	1.0
91.03917	1.8
91.05478	13.8
93.07040	9.8
95.04977	4.2
95.08621	4.6
97.02874	3.5
97.10166	20.9
103.05460	8.0
105.07020	10.9
107.04948	2.3
107.08584	10.0
109.06503	1.9
109.10156	3.8
115.05500	4.1
117.07012	22.7
117.07845	1.2
119.04971	1.0
119.08578	7.5
121.06504	1.8
121.10150	3.0
123.08043	0.9
125.09621	16.2
127.03911	1.0
128.06189	1.8
129.07025	9.0
131.04938	1.5
131.08571	15.9
133.06491	3.9
133.10153	2.4
135.08034	3.9
137.06044	0.8
138.66946	0.9
141.06975	4.5
143.08562	6.0
143.10655	1.4
145.06502	5.6
145.10110	5.7
147.07976	1.3
147.11642	1.0
149.09605	2.7
153.07005	1.3
153.09088	2.8
154.07651	1.1
155.08572	7.2
156.09288	1.1
157.06476	1.8
157.10138	3.0
159.08034	2.2
159.11716	2.0
161.09534	1.2
167.07126	1.2
167.08569	2.3
169.10100	5.5
170.94383	0.9
171.08105	1.8
171.10210	0.9
171.11642	2.4
173.13197	1.3
175.11292	0.9
181.10123	1.5
182.11015	1.0
183.08044	1.1
185.09665	1.4
185.13223	1.5
187.14792	5.3
189.11218	8.9
190.02196	0.9
193.10161	1.3
195.11688	2.4
197.13208	8.5
199.11160	1.3
209.13332	1.4
213.12712	2.2
215.14302	24.1
215.16338	1.6
227.12744	15.2
237.12724	1.0
241.12241	1.0
245.13786	1.8
255.13971	1.5
339.23148	1.6
349.21399	4.8
367.22626	9.7
368.23242	1.0
385.23560	7.1
403.24802	3.5
423.25119	1.1
441.26367	46.4
446.54532	0.8
459.27396	100.0
460.27814	3.1
476.24832	1.0
477.28482	12.3
521.89050	0.9
585.30267	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
67.05504	1.4
69.03433	1.6
71.57874	1.1
76.24498	0.8
79.05490	2.7
81.03426	3.3
81.07044	2.9
85.02899	2.0
85.53287	0.8
86.09708	1.0
90.74738	0.7
91.05476	2.3
93.07059	2.1
94.06579	2.3
94.32112	0.7
95.04942	2.1
95.08601	0.8
96.08112	2.1
97.02879	1.3
100.33027	0.7
105.07090	0.7
107.04929	1.1
107.07312	1.2
107.08568	2.0
108.04446	0.8
108.08112	6.7
108.08736	1.0
109.02878	1.1
110.09669	3.1
115.05454	1.0
120.04449	1.3
120.08090	4.7
122.06014	3.2
122.09660	1.5
124.07540	0.9
127.03835	0.9
136.07567	9.0
137.05984	2.5
138.09123	4.3
139.71252	0.7
148.07532	4.2
150.09138	2.6
153.01820	1.1
164.07092	2.3
166.08694	5.4
167.07060	3.4
173.05861	1.1
175.07454	0.8
181.04942	2.9
191.06912	0.8
195.09253	0.8
211.12222	0.9
213.10237	2.2
223.08833	1.0
223.12384	0.9
225.10229	2.6
226.11006	2.1
227.11832	2.8
228.38918	0.7
236.09315	1.2
237.10223	5.9
238.10869	1.1
239.08192	1.0
239.11752	5.5
241.09769	1.7
249.10262	3.5
250.11171	0.9
251.08232	2.3
251.11777	5.3
252.12685	1.2
253.09804	3.8
253.13347	1.7
255.11287	3.4
256.88739	0.9
261.10254	2.2
262.10904	0.9
263.08087	0.8
263.11719	4.8
264.08887	1.3
265.09708	6.3
265.13541	1.4
266.10565	1.7
267.11279	10.0
269.12811	1.5
277.09668	3.3
278.10431	1.9
279.08121	1.1
279.11295	8.6
280.12027	2.1
281.09525	1.4
281.12866	4.4
283.10803	1.6
285.12323	2.3
289.09644	1.8
290.10281	0.8
291.11310	2.2
293.09152	2.7
293.12836	5.3
294.09985	2.3
295.10715	2.3
295.14291	1.9
296.11554	1.8
297.12271	4.5
299.13861	1.2
307.10690	4.6
308.11389	1.4
309.12280	5.5
311.10306	1.3
311.13812	1.2
315.13519	0.9
321.12360	1.9
325.11896	2.5
326.12518	2.8
327.13336	4.0
328.14313	1.3
337.11615	1.3
339.09311	1.4
339.13367	6.2
340.14218	1.1
341.14999	6.0
342.15729	1.0
346.19223	0.9
349.11737	0.8
351.13565	1.1
355.13101	1.8
367.12744	2.5
369.14362	1.6
370.15460	1.1
381.14444	4.9
383.16147	1.4
384.13123	1.1
385.13440	0.9
397.13464	0.8
399.15332	1.0
409.13846	1.8
411.15433	3.0
414.18011	1.4
415.14886	1.4
418.17154	1.0
423.15436	1.5
427.14624	1.9
432.18857	1.5
441.16650	4.9
442.17413	1.2
451.14923	1.6
460.18564	1.1
465.16772	1.1
469.15961	2.9
470.16229	0.8
471.17477	1.4
476.22150	1.5
479.14505	2.3
483.17767	2.1
499.17584	1.1
501.18533	5.0
511.17133	1.7
516.21179	0.8
524.94800	0.9
529.17999	1.8
576.23279	2.4
604.22198	2.1
608.26074	1.9
621.22998	2.1
623.24432	2.3
632.22009	3.4
636.25806	9.1
664.24957	61.3
665.25403	3.8
682.26563	3.8
696.27600	100.0
697.27942	6.3
755.28815	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	813.4902
Annotation	Glabrin C
Peak:m/z	Relative Intensity
71.57742	21.0
83.02332	11.6
84.36180	11.2
114.30161	12.0
128.29620	14.8
192.44048	13.4
390.55432	13.7
439.87216	15.2
749.13300	13.1
813.48950	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.3
59.41863	0.6
65.03928	1.0
69.03074	0.9
69.03427	11.7
70.37737	1.9
70.38148	1.1
71.01356	0.9
71.04975	2.7
73.02901	1.5
79.05470	1.0
81.03414	29.8
83.01357	1.1
85.02905	8.6
89.03893	1.4
91.05458	1.8
95.04964	0.6
97.02891	8.0
99.04457	3.8
101.02364	2.5
103.05453	1.1
107.04926	1.3
109.02872	15.4
113.02358	5.2
117.03389	1.0
119.04925	2.2
121.59735	0.6
127.03912	14.5
129.03365	0.8
131.04916	1.6
135.04407	3.2
137.02333	4.7
145.02863	1.5
145.04910	1.7
147.04393	6.5
149.02335	1.1
153.01833	1.4
157.02847	2.8
159.04431	0.7
163.03900	7.1
165.01826	12.8
165.05574	0.9
166.02600	2.7
167.03369	2.3
173.02335	2.8
175.03903	7.5
177.01869	3.2
177.05386	1.0
179.03348	1.0
181.01302	2.9
185.02322	2.7
187.03900	6.5
189.01981	0.7
191.03378	24.0
193.01321	16.6
193.04948	2.1
194.02081	1.9
195.02898	1.2
197.02596	0.8
197.04440	11.5
201.01791	5.8
201.05417	0.7
202.02606	1.3
203.03375	28.9
204.04123	0.7
205.01283	1.8
205.04922	1.9
205.62633	0.7
207.02895	1.6
209.04398	3.6
211.02321	1.1
213.01782	5.8
215.03398	5.0
217.04990	1.7
219.02878	48.7
221.00816	19.7
221.04091	3.1
223.02350	1.4
223.06027	1.5
225.03886	3.0
227.05330	0.7
229.01350	6.9
230.02010	0.8
231.02866	34.1
233.00816	9.2
233.04500	1.5
235.02370	1.4
235.05881	0.7
237.03897	2.3
241.01277	5.1
245.06566	1.8
247.02370	62.9
248.02960	0.8
249.03938	6.5
251.01891	1.3
253.03403	6.1
257.00784	11.1
259.02362	39.9
260.02963	1.3
261.03894	4.0
263.05460	4.2
265.03485	4.5
275.01846	47.9
276.02591	5.4
277.03412	100.0
278.03781	0.7
279.04980	4.1
285.00360	5.9
289.03354	6.9
291.04883	0.8
292.66327	0.6
293.02887	13.8
302.00549	0.7
303.01331	62.2
304.01651	1.4
307.04462	32.9
315.01334	1.1
317.02792	0.9
321.02319	6.2
325.05484	1.1
335.03949	17.9
345.02353	2.2
353.05011	60.4
363.03363	0.8
369.02380	1.1
371.06064	5.8
385.05722	0.9
437.07294	0.8
447.05453	2.0
465.06665	1.2
478.94614	0.8
479.07941	0.9
497.09009	1.0
547.07080	3.2
564.61444	0.7
565.08124	1.2
753.76343	0.7
799.09161	1.1
817.10663	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	811.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58046	0.6
57.03432	2.0
57.03725	0.6
59.05007	1.1
61.02929	6.0
67.05506	4.9
67.56959	0.6
69.03422	4.7
69.07066	1.6
70.06588	1.6
71.03061	1.6
71.03422	0.8
71.04993	1.7
73.02915	4.2
73.33241	0.6
79.05147	0.5
79.05505	4.6
81.03419	5.0
81.07061	5.3
83.04990	1.4
83.08608	0.9
85.02900	5.8
85.06589	0.7
91.03941	3.1
91.05486	4.8
93.07049	4.6
95.04993	2.2
95.08600	3.1
97.02892	4.9
97.06556	1.2
101.02406	2.8
103.03964	0.6
105.07042	2.9
107.08628	2.6
109.10168	1.1
117.07039	1.0
119.08623	2.2
121.10138	3.0
123.08147	0.7
127.03916	1.4
128.93478	0.6
129.07010	1.4
129.90932	0.6
131.08615	2.0
133.10161	2.1
135.11760	0.9
147.11754	2.0
149.09656	2.2
157.10172	1.8
165.21268	0.7
175.11055	0.8
184.07370	1.2
193.12303	1.2
203.05415	0.8
215.12198	0.6
243.08392	4.5
243.10657	0.6
267.16006	1.1
283.15149	4.1
300.95557	0.7
333.20538	1.0
339.17874	1.2
413.18304	0.9
439.19720	1.8
453.21231	1.6
469.20731	1.2
501.23087	14.1
551.28589	6.2
557.19824	0.8
626.26373	0.7
641.31171	1.1
713.37469	1.9
725.32623	1.2
732.47681	0.7
811.44525	100.0
812.44830	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	809.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.1
59.05008	1.3
59.38436	0.8
59.40520	0.8
61.02931	6.3
67.05503	7.4
69.03426	4.3
69.07063	2.6
69.49716	0.8
69.50028	8.2
70.73232	0.7
71.04993	2.6
71.19422	0.9
73.02914	3.5
79.05511	4.8
81.03418	5.4
81.07056	6.6
83.04983	1.9
83.08612	2.1
85.02904	5.6
85.06499	0.9
85.45734	0.9
85.52269	1.0
87.04440	0.9
91.03968	2.4
91.05479	6.9
93.07061	5.3
95.04980	2.8
95.08620	3.6
97.02885	5.3
97.06541	1.2
98.20756	1.7
100.38335	1.0
101.02411	2.0
105.07038	4.4
105.42329	0.9
107.04969	1.9
107.08601	3.3
109.02850	1.3
109.10156	2.5
109.33167	0.8
113.17205	0.8
119.08571	3.5
121.06480	1.2
121.10165	2.0
127.03917	2.6
129.06998	1.6
131.08578	2.7
133.10133	3.5
135.07997	0.9
149.09673	3.1
151.11147	1.0
157.10179	1.1
175.11197	2.3
184.07361	1.7
193.12262	3.1
243.08508	3.1
261.12039	0.9
267.16006	1.9
283.15253	3.6
331.18896	3.0
439.20197	1.0
451.19644	1.7
501.23105	20.4
531.25903	2.8
549.26825	2.4
639.29547	1.6
711.35394	4.3
791.41846	11.3
809.42798	100.0
810.42877	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	808.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	22.2
57.07057	3.4
59.04973	4.8
61.02920	4.9
65.03932	5.1
67.05501	100.0
69.03412	8.4
69.06725	3.6
69.07065	38.6
69.60393	16.0
71.04977	7.4
73.02917	3.5
79.05494	70.2
81.03418	52.9
81.07054	86.1
83.04980	24.1
83.08611	28.5
85.02908	16.8
85.06528	6.2
91.05480	69.8
91.91236	2.6
93.07038	63.6
95.04964	32.4
95.08610	45.2
97.02872	9.2
97.06520	18.5
97.10150	14.0
98.07321	4.2
99.04443	4.1
99.08110	3.1
105.07034	46.3
107.04966	19.4
107.08595	28.8
109.02853	4.5
109.06519	12.0
109.10147	51.0
111.08090	15.7
115.05448	4.6
116.04712	4.2
117.07024	11.5
119.08591	30.9
121.06479	5.1
121.10136	19.9
123.04343	2.1
123.08048	9.1
123.11720	6.5
125.09621	17.9
127.03871	2.9
128.06160	3.2
129.05464	17.6
129.06966	12.1
131.08557	25.1
133.06474	5.4
133.10129	29.5
135.08034	6.5
135.11688	10.1
137.05974	3.2
137.09607	13.9
141.06990	2.8
143.07065	3.5
143.08540	3.9
145.06506	3.4
145.10114	15.1
147.08011	5.0
147.11693	22.2
149.09642	17.2
149.13223	8.6
151.11154	4.2
153.09114	3.1
155.10684	4.7
157.08594	7.5
157.10109	15.3
159.11664	10.3
161.09604	2.1
161.13206	2.6
163.11192	12.0
165.09128	2.3
165.12833	4.3
167.07065	7.1
169.10074	2.8
171.06462	2.5
171.10179	3.2
171.11543	4.3
173.09557	2.7
173.11726	17.6
173.13226	4.2
175.11206	18.0
177.12773	4.3
184.07323	8.6
185.07802	3.0
187.14693	2.9
189.11201	9.9
191.10680	2.5
193.12245	38.4
195.13797	6.1
199.13261	7.2
209.11536	2.7
211.13293	48.8
227.12724	13.4
229.14297	34.2
243.15909	2.3
257.19003	5.4
267.15912	29.6
269.17487	19.2
273.18564	3.5
275.20059	31.4
283.02289	5.1
283.15439	7.1
285.16953	24.7
291.19443	6.4
293.21201	3.7
297.03857	3.0
301.16486	32.9
310.72058	2.1
349.23746	24.5
367.24741	4.6
371.24194	3.9
381.22607	2.7
383.24301	6.0
411.27310	4.4
421.25665	5.2
423.27463	12.4
439.26917	24.5
449.28964	3.1
455.26376	18.0
461.28729	7.7
463.30353	3.0
477.28421	5.0
478.29202	2.7
479.30026	17.5
495.29395	15.5
535.33636	2.4
541.35187	8.4
559.36304	20.1
575.35962	15.5
577.37372	3.8
593.36450	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	807.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46193	4.2
57.48245	4.1
59.51969	3.9
64.44162	5.2
65.03941	8.4
66.53866	3.9
67.05493	9.0
69.03412	7.9
69.92654	27.7
79.05489	10.0
81.03405	13.4
81.07064	5.6
85.02894	6.7
89.18790	4.2
91.05482	20.9
93.07045	8.4
94.06567	10.8
95.04922	11.0
95.08654	5.2
96.08134	8.8
97.02908	7.7
100.11295	4.9
103.05456	10.1
105.07010	13.4
106.06570	6.2
107.04948	12.7
108.08104	32.5
109.06437	5.7
110.09689	17.7
117.06995	8.0
119.08569	6.0
120.04452	7.1
120.08085	16.8
121.06490	5.0
122.06018	12.5
123.04439	6.6
124.05260	7.0
124.07574	10.1
131.04915	5.8
132.08060	4.9
133.06488	5.5
134.06042	5.2
136.07593	32.7
137.05984	25.3
138.09145	34.5
138.77597	3.7
144.04462	4.5
145.06468	8.6
145.10155	4.9
146.06003	6.9
146.51476	4.4
147.08035	6.4
148.07573	17.7
149.06000	6.8
150.09114	15.2
151.03848	6.8
152.07066	23.5
153.01846	12.1
163.07576	9.5
164.07063	10.4
165.05560	6.4
166.08659	52.1
167.07036	37.5
172.04005	21.5
174.09111	4.7
175.07545	8.4
177.05453	5.5
181.04965	33.6
184.09894	5.1
190.05083	11.7
191.07034	16.7
195.06540	6.1
198.11443	5.1
204.06569	41.6
205.08537	5.9
211.12288	5.9
212.11090	4.0
212.13167	5.6
219.06451	4.7
223.12350	5.9
225.10301	16.5
227.11815	9.1
237.10214	15.9
238.10886	12.5
239.11761	13.2
242.10191	4.9
244.44052	4.4
248.09337	4.5
249.10255	12.3
250.10860	7.1
251.08327	7.3
251.11797	21.5
252.12726	5.5
253.09776	6.1
253.13371	10.3
254.10432	6.2
255.11249	9.2
263.11780	16.4
264.08902	5.0
264.12515	10.4
265.09705	13.9
265.13330	14.2
266.10565	7.3
266.88120	4.3
267.11264	20.0
269.12723	9.3
271.10718	4.6
271.14447	8.0
279.11288	27.1
280.11887	7.2
281.12723	6.0
283.10602	12.5
284.11429	9.2
285.12366	49.7
289.15387	5.7
291.11157	10.9
292.12207	5.4
293.12732	10.7
295.10709	6.4
296.11331	5.0
297.12375	52.1
298.12851	4.8
299.13992	13.9
307.10590	7.3
309.12396	23.2
310.12766	7.5
311.09967	9.0
311.13705	10.2
319.10620	8.5
321.12170	14.4
323.10165	12.0
325.11752	23.1
327.09079	5.5
327.13171	23.5
329.10126	6.3
329.15192	4.4
337.11743	41.5
355.12082	6.5
357.14294	12.0
358.14627	6.0
359.15707	8.1
369.14279	9.7
371.15689	5.8
373.14215	6.1
385.12991	6.4
386.14713	4.5
401.77310	5.4
430.17496	9.1
448.18362	23.4
449.19058	16.2
450.20145	18.3
460.18759	11.8
462.19971	6.6
463.20029	5.0
474.20151	7.9
477.18851	8.7
478.19495	9.0
480.21246	9.3
490.19788	34.9
491.20477	8.8
492.21362	24.6
522.22186	42.8
523.23102	18.1
524.23499	15.9
595.25043	6.4
613.26532	100.0
645.29065	16.9
652.24591	10.3
653.25574	13.2
684.27026	8.9
685.28345	9.2
748.21063	5.2
775.31018	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	807.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
62.10965	1.4
62.75526	1.6
65.03934	2.2
67.05489	2.7
69.03419	6.0
70.06605	1.9
70.65105	1.5
70.89249	2.9
70.89583	3.2
74.75043	1.6
79.05498	4.3
81.03406	3.7
81.18568	1.4
82.92854	1.7
85.02901	5.2
91.05499	2.7
93.05805	1.9
93.07037	5.2
94.06579	7.2
95.04935	2.8
95.07347	3.6
96.08120	8.5
97.02895	4.3
104.92729	2.1
106.06555	4.9
107.07304	2.8
108.04538	1.6
108.08108	16.8
109.15170	1.8
110.09682	10.8
120.04470	3.2
120.08090	12.1
121.08900	1.6
122.06007	15.2
122.09663	5.1
124.07593	8.7
124.08398	1.6
127.03853	1.5
134.06029	2.9
136.07571	31.1
138.09129	21.4
139.43729	1.5
144.04442	3.7
146.06018	9.8
148.07576	18.6
150.09145	13.7
152.07065	29.2
153.01820	2.0
160.04079	1.5
162.05545	3.8
164.07072	9.8
166.08633	54.7
167.07080	4.6
172.03935	24.2
176.07080	5.4
181.05008	2.7
182.08093	2.5
190.05003	19.8
194.08147	2.0
197.10712	2.7
198.11484	4.6
199.12347	1.9
204.06548	41.0
210.09628	1.5
210.11571	5.3
211.08662	1.8
211.12308	9.8
212.09366	1.7
212.13107	4.6
213.10187	2.6
216.36256	1.6
218.08133	2.5
223.08533	1.5
223.12337	6.1
224.09543	2.1
225.10220	9.0
225.13731	3.0
226.10999	7.2
227.11774	7.0
229.09750	2.2
235.12357	2.2
236.09389	3.1
237.10127	7.8
237.13750	2.0
238.11002	9.4
239.11771	14.0
241.09642	1.9
241.13385	2.5
243.11531	1.6
249.10201	7.2
250.11020	5.4
251.08073	3.5
251.11807	15.0
252.08907	3.5
252.12534	5.5
253.09625	4.4
253.13252	8.3
254.10147	2.3
255.11238	7.8
256.12045	3.1
262.10944	3.2
263.11798	17.7
264.08871	5.2
264.12592	3.9
265.09766	8.5
265.13281	11.4
266.10565	6.4
267.11273	23.5
268.11993	2.7
269.12839	7.1
271.10718	3.0
271.14444	5.8
273.12338	5.2
277.09747	2.5
277.13321	2.7
278.10501	2.4
279.11270	34.0
280.12030	7.3
281.12854	12.4
282.10233	1.9
282.13449	2.3
283.10767	8.0
283.14032	2.5
284.11533	14.7
285.12311	46.7
286.12662	2.0
287.13989	4.8
289.15405	3.8
291.11237	16.8
292.12048	4.1
293.09521	3.1
293.12857	17.2
295.10666	4.9
296.11682	10.1
296.14536	1.6
297.12347	58.6
298.12991	4.4
299.13885	9.8
307.10574	4.2
309.12332	21.5
310.12952	4.3
311.10306	6.6
311.13803	6.1
313.11682	2.4
315.13748	2.9
316.14481	1.8
319.10788	9.5
321.12277	13.8
323.10254	12.7
323.13666	2.7
325.11804	22.3
326.12445	1.9
327.13345	15.6
328.14206	1.9
330.16052	2.1
337.11801	54.8
338.12244	3.4
339.13361	8.7
343.12766	3.6
355.12857	3.6
356.13763	1.8
357.14462	14.0
358.15137	1.6
359.15903	4.5
360.16879	2.0
367.12839	1.8
369.14365	5.9
371.16168	2.6
372.16931	2.5
373.13980	2.9
374.14651	1.9
385.13699	2.5
386.18625	2.3
390.18341	3.7
400.16519	4.3
401.17163	1.7
402.18274	2.8
404.19629	5.2
418.17538	5.0
420.19110	2.7
422.20721	2.8
430.17703	11.8
431.18286	2.1
432.19122	10.7
442.17450	4.0
446.20813	5.6
448.18591	29.3
449.19461	20.4
450.20230	16.6
460.18710	26.0
462.20245	4.3
463.20651	2.6
472.18521	3.4
474.20013	3.7
476.18030	10.7
477.18927	10.1
478.19711	6.4
480.21255	2.2
487.17072	5.6
490.19690	40.4
491.20160	1.9
492.21393	11.3
506.22678	2.9
522.22418	17.6
523.22961	2.9
567.25665	1.9
594.24249	2.3
595.25409	13.4
608.25677	2.2
611.24615	5.9
612.25598	4.8
613.26538	100.0
614.26459	6.2
636.25671	2.9
645.29242	11.1
652.25000	25.6
653.25848	11.7
654.26660	6.4
663.98041	1.7
684.27612	9.3
685.28021	5.5
775.31665	22.9
776.31677	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	807.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86049	1.3
61.02939	1.9
65.03922	1.4
66.61996	1.2
67.05515	1.7
69.03426	4.9
70.02982	7.5
71.54253	1.3
79.05489	3.6
81.03422	2.1
85.02905	4.8
90.68266	1.4
91.05460	2.9
93.07034	3.7
94.06562	8.2
95.07357	3.0
95.08627	1.8
96.08145	7.6
97.02891	3.2
106.06556	4.3
108.08114	16.2
109.02892	2.8
110.09681	12.6
116.04957	1.6
120.04508	2.3
120.08125	11.4
121.06470	1.5
122.06009	12.6
122.09644	4.5
124.07594	7.2
134.06021	3.7
136.07576	28.1
138.05498	1.7
138.09145	18.4
144.04456	3.0
146.06013	9.4
148.07570	16.4
150.05534	1.4
150.09157	12.0
152.07071	22.0
160.03932	1.9
162.05519	2.8
164.07016	8.0
166.08636	42.2
167.07065	3.1
172.03943	17.7
174.09195	3.0
176.07112	2.7
182.08156	1.5
183.09076	1.4
190.04993	14.5
197.10675	2.1
198.11528	3.3
204.06555	27.1
209.10738	1.9
210.11549	6.0
211.12303	5.7
212.09358	1.6
212.13058	2.4
218.08266	2.2
223.12260	5.5
224.09431	1.6
224.12952	2.3
225.10300	8.0
225.13789	2.0
226.10968	6.8
227.11832	5.0
229.09630	2.3
229.13405	1.5
235.08646	2.9
235.12369	2.1
236.09383	1.9
237.10226	7.9
237.13876	1.5
238.11005	11.7
239.11740	10.3
241.13466	1.6
246.07654	2.0
249.10208	7.7
250.11075	3.2
251.08226	2.9
251.11798	17.5
252.08885	2.0
252.12532	5.6
253.09523	3.3
253.13414	4.4
254.10527	1.8
255.11333	5.0
256.11948	2.6
259.14496	1.8
262.10989	3.5
263.07941	2.9
263.11819	15.2
264.08777	6.9
264.12543	5.1
265.10013	7.1
265.13297	9.3
266.10464	4.9
267.11276	20.6
269.12869	6.7
271.10843	3.2
271.14398	5.8
273.12381	4.6
275.11832	2.0
277.09720	2.0
278.10562	4.1
279.11255	30.0
280.12082	7.9
281.12808	11.4
282.10397	1.6
282.13516	1.9
283.10776	7.6
283.13895	2.4
284.11548	12.3
285.12308	38.5
287.13870	3.6
291.11279	14.0
292.12082	4.4
293.09555	2.8
293.12759	16.9
295.10818	4.1
295.14349	1.5
296.11597	6.8
297.12320	48.7
298.13074	2.8
299.13919	6.9
307.10846	2.9
309.12326	19.2
310.13092	5.8
311.10229	6.4
311.13940	5.7
313.11829	3.3
319.10751	10.9
321.12329	12.9
323.10394	13.7
323.14069	2.1
325.11765	22.1
325.15427	2.2
327.13275	12.6
337.11786	49.1
338.12326	1.9
339.13333	6.5
341.11240	2.2
342.12192	1.5
343.12814	3.9
357.14407	10.0
358.15472	1.8
359.15964	2.5
369.14478	5.4
370.15363	2.5
372.17078	2.2
374.18729	1.7
376.20282	1.9
385.13763	3.1
390.18094	3.0
392.19669	2.5
400.16507	2.5
402.18106	2.7
404.19699	4.1
412.16574	2.6
418.17554	2.6
420.19061	2.2
422.20813	2.9
430.17599	9.4
432.19342	8.7
432.80402	1.5
436.18759	1.9
442.17776	3.7
444.18936	2.5
446.20941	2.4
448.18707	31.0
449.19437	17.5
450.20163	14.6
460.18750	15.7
461.19214	2.7
462.20190	4.0
472.18530	2.7
474.20102	5.2
476.18222	9.1
477.18909	8.5
478.19775	6.2
480.20840	2.1
487.16995	5.9
490.19708	37.0
491.20367	4.1
492.21371	11.3
493.21756	1.9
522.22192	11.0
523.23077	2.8
567.26001	2.3
594.24646	2.4
595.25507	11.9
611.24353	4.0
612.25244	5.3
613.26532	100.0
614.26715	4.5
636.25586	2.1
645.28961	6.5
652.24969	20.9
653.25903	12.7
654.26428	4.5
684.27087	5.2
685.27893	5.2
757.31964	1.9
775.31781	21.9
776.31073	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05129	1.4
56.96568	4.1
67.05495	5.7
69.03426	4.3
69.07059	3.4
70.49298	4.0
79.05504	2.5
80.04543	1.5
80.05010	1.7
81.03416	5.7
81.03860	1.5
81.07051	4.0
82.06577	1.7
85.02929	4.0
91.05480	2.6
93.07047	4.5
94.06573	8.8
95.07349	3.9
95.08604	4.5
96.08128	10.2
97.02891	1.7
98.97605	4.3
105.07028	3.4
107.08584	3.2
108.08118	13.3
108.37401	1.5
109.06511	2.0
109.10149	15.7
110.09685	13.6
110.10403	2.6
116.98582	2.8
119.08593	4.4
120.08125	11.7
121.10210	2.0
121.66490	1.6
122.06059	11.5
122.09702	2.9
123.08070	1.7
123.11742	2.6
124.07564	2.7
127.03914	2.5
133.10132	2.9
134.05963	2.5
135.11722	6.3
136.07600	11.4
136.11955	1.6
137.08447	1.8
137.09573	1.5
138.09142	24.1
143.03380	1.9
143.07135	1.6
146.99695	2.3
148.07578	3.7
150.09154	8.1
151.11264	2.2
152.07037	4.2
153.01834	34.5
154.02179	5.3
160.03960	4.5
164.07079	5.1
166.08630	36.5
167.07076	4.4
172.03946	2.6
172.24365	1.5
175.14842	3.9
178.04996	2.3
181.04964	2.0
190.04964	2.4
193.15858	10.6
199.08646	3.0
204.06445	2.6
211.08638	4.2
211.12332	3.2
211.16838	2.8
213.10138	1.7
215.05815	2.0
221.10541	1.9
222.11504	2.6
223.08682	4.8
223.12291	2.4
225.10188	18.1
226.10983	5.1
226.98648	4.5
227.11829	5.7
235.08716	2.1
236.09511	3.3
237.02930	4.4
237.10222	12.1
238.11069	7.2
239.08069	5.9
239.11803	19.4
240.12531	3.8
241.09641	2.2
248.09427	2.1
249.10223	5.6
250.10919	7.7
251.08134	6.4
251.11736	20.6
252.12486	4.2
253.04596	1.8
253.07430	2.3
253.09708	8.5
253.13348	12.4
254.10504	10.3
259.01370	4.3
263.00818	1.8
263.11804	11.5
264.08951	2.7
264.12631	6.9
265.09796	11.6
265.13351	22.9
266.10455	6.4
266.13928	3.9
267.08795	1.8
267.11307	7.2
269.12735	1.8
271.10925	1.9
278.10571	3.1
279.11264	13.6
281.12769	14.4
282.09943	1.8
282.13586	3.5
283.10660	8.1
283.14417	4.7
284.11475	3.9
285.12207	16.0
286.13333	2.8
291.10117	2.6
293.09851	2.3
293.12808	9.6
294.13702	4.3
295.10843	3.6
295.14380	2.5
296.11484	3.7
297.06107	4.7
297.12296	10.7
298.12894	2.4
299.13852	18.2
301.02274	5.3
307.10767	3.5
309.12286	55.5
310.13153	3.1
311.10632	2.6
311.13922	24.6
319.10907	3.4
321.12512	2.7
325.11862	6.0
326.12729	3.6
327.13364	87.7
328.13794	4.3
337.11768	13.3
338.12613	7.2
339.13409	15.1
341.15234	2.5
357.14258	4.2
358.10107	2.8
358.15094	4.1
358.60229	3.4
359.15982	7.8
363.11871	3.3
363.62140	2.2
369.14490	27.9
370.15329	3.1
371.15979	27.1
372.16812	2.3
384.17657	1.7
387.17523	13.2
387.67697	14.4
388.17590	5.2
404.19641	2.4
411.16772	6.1
412.16901	3.7
416.19632	5.0
426.05396	1.9
430.17593	5.7
430.62097	2.2
432.19180	13.5
439.12552	2.7
439.62579	6.1
440.13031	2.4
442.17145	2.1
447.21652	1.7
448.18558	29.4
460.18652	41.9
468.19849	2.0
468.70303	4.6
469.20300	3.0
474.19843	2.8
480.21274	38.3
490.19809	4.9
491.20413	5.2
492.21289	100.0
493.21564	4.7
509.21768	2.7
522.22260	2.2
523.22968	19.5
524.23993	11.1
527.12665	1.8
544.20190	3.8
544.70697	6.0
563.18073	11.3
564.17999	6.0
595.25177	5.7
613.26489	34.5
614.26727	2.4
625.25671	1.9
627.27032	2.4
645.29010	8.9
652.24774	2.0
653.25690	16.3
654.25934	3.6
685.28973	8.1
686.28381	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	21.3
59.04992	3.7
61.02923	4.7
65.03931	5.8
67.05499	97.7
69.03428	11.8
69.07066	32.4
69.94485	14.0
71.04991	16.7
79.05487	71.8
81.03420	64.8
81.07053	100.0
81.91824	2.0
82.07436	2.6
83.04973	26.9
83.08617	40.8
85.02895	29.3
85.06547	5.4
87.04461	2.3
91.05481	66.6
93.07034	63.7
95.04963	41.2
95.08604	37.4
97.02883	10.2
97.06524	22.3
97.10154	13.1
98.20835	3.1
99.04444	2.8
99.08081	5.1
105.07027	50.9
107.04929	15.9
107.08584	40.0
109.02848	4.1
109.06489	14.2
109.10136	30.7
111.04458	6.1
111.08067	16.5
113.05999	2.6
115.05472	3.7
117.07014	17.8
118.53397	2.2
119.08579	37.3
121.06493	10.8
121.10120	21.7
123.08081	10.5
123.11740	2.8
125.05981	3.1
125.09632	8.6
127.03915	2.8
129.05482	4.1
129.07018	18.6
131.08554	31.8
133.06476	5.2
133.10127	34.9
135.08037	8.1
135.11710	7.8
137.06001	3.5
137.09618	8.6
141.07022	3.2
142.07770	3.0
143.08533	5.5
145.10129	16.9
147.08058	6.5
147.11694	23.5
149.09642	18.4
149.13197	11.4
151.11205	3.4
157.10094	18.8
159.11685	14.1
161.09644	5.7
161.13307	2.7
163.11179	10.1
165.12756	4.5
169.10121	3.7
171.11633	3.4
173.09625	4.2
173.11761	5.9
173.13193	3.6
175.11169	18.7
177.12744	3.9
183.11684	4.7
185.13507	2.0
189.11200	4.3
193.12242	42.0
195.13809	4.6
211.13298	48.6
227.12753	13.5
229.14253	16.8
247.20464	2.7
249.14853	4.2
257.19028	7.8
267.15912	35.6
269.17499	13.9
273.18384	4.4
275.20026	27.5
278.44669	2.2
283.15381	7.8
285.16943	55.7
291.19577	5.4
301.16644	3.0
331.22501	3.6
349.23666	19.0
413.21741	8.0
421.26059	6.3
437.24902	3.1
439.26801	31.3
443.27948	4.1
461.28928	40.5
479.30011	99.7
480.30496	2.9
523.33954	2.9
541.35156	15.4
559.36163	27.9
569.31677	3.2
591.38623	10.2
609.36432	3.4
623.34155	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	22.3
65.03934	6.3
67.05498	92.3
69.03413	14.8
69.07057	27.3
69.43079	55.0
69.43487	13.9
71.04990	20.0
79.05487	90.8
81.03416	73.4
81.07050	100.0
83.04971	30.7
83.08613	22.1
85.02904	20.3
85.06558	9.8
86.09680	7.2
90.92597	6.0
91.05476	81.7
93.07036	80.3
95.04987	41.5
95.08595	36.0
95.82597	5.5
97.02888	7.4
97.06522	27.2
97.10165	7.9
98.42146	5.9
99.08074	9.3
105.07020	56.1
107.04951	19.8
107.08570	41.3
109.06496	12.6
109.10166	25.3
111.08076	16.2
117.07021	16.6
119.08578	46.1
121.06505	6.7
121.10155	12.6
122.21516	6.6
125.09633	12.3
129.05460	9.0
129.06984	15.8
131.08569	36.1
133.06529	7.9
133.10117	32.0
135.08047	8.9
135.11720	9.7
135.41867	6.1
137.09572	8.5
145.10120	16.7
147.11710	17.7
149.09633	19.2
149.13232	7.1
157.10132	14.0
159.11783	11.0
163.11192	20.1
167.06999	6.7
173.09628	9.5
175.11203	12.8
184.07361	27.2
193.12233	44.8
211.13243	42.6
253.14403	8.6
267.15906	31.3
269.17514	11.0
275.20032	20.9
285.16916	35.2
349.23874	17.7
439.27032	7.0
461.28857	28.1
479.30090	86.9
559.36218	27.1
620.94348	7.4
623.33740	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	806.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	23.5
57.07059	3.5
59.04995	5.3
61.02892	4.0
65.03938	8.4
67.05504	100.0
69.03427	16.6
69.07059	35.1
69.97945	11.0
69.98361	7.7
71.05007	19.3
71.05325	2.9
77.49258	3.3
79.05062	5.1
79.05488	62.0
81.03413	84.0
81.07052	90.0
83.04967	16.0
83.08616	32.6
85.02900	15.3
85.06532	7.1
91.05483	81.2
92.05731	3.3
93.07046	65.3
95.04971	38.5
95.08599	48.4
97.02869	4.7
97.06525	15.9
97.10155	15.7
103.05421	4.1
105.07033	65.4
107.04942	15.6
107.08581	30.6
109.06512	10.8
109.10154	36.7
111.08057	10.9
115.05465	4.8
117.07001	20.9
119.08572	44.2
121.06464	6.6
121.10136	23.8
123.08044	9.2
123.11672	5.0
125.09628	10.9
127.03886	3.7
128.06172	4.4
129.05499	4.3
129.07018	23.3
131.08546	29.4
133.06520	6.1
133.10110	33.7
135.08066	4.5
135.11685	11.4
137.09624	5.8
142.07803	6.4
143.08549	13.2
145.10118	20.1
147.08044	4.9
147.11665	20.7
149.09599	13.4
149.13243	11.5
151.11168	4.5
153.12732	3.5
157.10124	17.8
158.12651	3.2
159.11696	13.2
161.09511	5.1
161.13277	5.4
163.11153	9.8
169.10117	6.3
171.11676	6.8
173.11742	8.8
173.13211	8.3
175.11089	7.9
177.12846	6.1
185.13326	5.6
187.14751	3.5
189.11197	8.8
193.12227	33.1
197.13289	5.3
199.14914	4.7
203.14360	3.8
211.13382	16.7
227.12686	9.1
229.14375	14.5
259.20602	8.0
267.15897	51.8
269.17526	10.1
273.18475	4.1
275.20004	13.8
285.16959	12.6
291.19678	6.1
293.21268	5.6
301.19635	4.3
349.23672	8.2
387.24857	6.8
397.25629	4.6
439.27127	5.0
443.27591	5.2
461.28906	15.2
493.30530	4.2
517.35175	7.1
525.36188	17.0
541.35437	5.5
543.36804	37.2
575.39124	8.3
609.36108	6.9
807.40717	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	806.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	21.4
57.07082	2.6
59.04988	4.1
61.02919	4.2
65.03933	4.7
67.05503	100.0
69.03431	8.7
69.07067	18.7
70.12392	7.1
71.01355	3.1
71.04991	11.4
73.02918	2.9
77.03952	1.4
79.05490	53.7
81.03414	81.0
81.07054	58.5
83.04984	29.8
83.08620	35.3
85.02426	2.5
85.02901	34.0
85.06535	5.3
87.04457	4.0
91.03982	1.8
91.05475	55.8
93.07037	34.1
95.04967	37.1
95.08607	25.6
96.26410	1.4
97.02901	10.8
97.06529	10.3
97.10168	16.0
99.08091	3.0
105.07028	37.0
107.04955	12.1
107.08582	20.2
109.06510	10.6
109.10156	58.2
109.75298	1.6
111.04427	4.8
111.08067	19.8
113.06026	2.6
115.05434	2.6
116.06223	1.5
117.07019	6.2
119.08573	33.4
119.09361	2.4
121.06489	4.9
121.10138	14.7
123.08078	4.8
123.11636	2.5
125.09631	17.1
127.07542	1.5
128.06247	2.4
129.05495	3.2
129.06975	16.2
131.08566	17.2
133.06482	3.3
133.10126	21.6
135.08002	2.0
135.11688	6.4
137.09607	5.9
142.07779	4.0
143.10635	2.3
145.10124	7.3
147.07991	6.5
147.11678	17.4
149.09598	11.9
151.11099	2.0
153.12794	2.7
155.10609	2.5
157.10115	16.9
163.11145	10.8
165.12784	4.3
171.11702	1.4
173.09601	2.4
173.11740	23.1
175.11194	18.7
181.12230	3.9
184.07393	2.0
189.11229	1.9
191.10672	5.8
193.12236	67.1
199.13255	6.5
209.11725	8.5
211.13281	98.9
227.12746	7.4
229.14337	52.5
249.14850	2.4
253.14330	3.1
265.14520	1.9
267.15894	30.9
269.17374	1.7
273.18488	1.8
283.15442	6.2
285.16949	59.4
301.16437	11.2
383.22327	1.8
399.19019	2.6
399.23730	18.0
409.25769	3.1
421.25793	10.4
423.27704	2.5
427.26883	4.2
439.26880	46.7
440.40793	1.4
450.85132	1.4
475.27213	2.1
493.27896	4.1
511.28717	8.0
529.29858	2.5
609.36285	33.7
806.46844	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	805.5087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	33.1
62.74908	7.8
67.05499	68.9
68.64088	9.1
69.07081	12.7
69.41500	70.8
69.41904	21.0
77.52342	8.4
79.05512	48.0
81.07034	48.0
85.06535	10.0
86.09694	20.6
91.05460	25.2
93.07037	49.3
95.04947	63.9
95.08598	27.1
105.07016	21.6
107.04936	9.2
107.08579	30.5
109.06519	56.4
113.05997	28.1
117.07032	19.9
119.08505	15.9
119.31004	9.7
121.06474	9.8
121.10146	9.5
123.08062	10.5
124.99986	19.8
129.06976	9.7
131.08502	14.6
133.10136	9.2
135.08051	49.8
145.10109	18.1
184.07353	90.6
217.15964	10.9
220.74617	9.6
264.33163	9.0
273.18423	45.4
291.19492	100.0
307.62863	8.8
323.14661	8.6
335.25702	44.1
365.23129	16.6
401.85507	10.6
472.08240	8.8
533.74921	10.3
625.44617	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	806.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	25.2
57.07063	3.7
57.34416	2.6
57.50028	2.8
59.04994	3.6
61.02914	8.7
65.03934	6.9
66.02876	2.6
67.05503	100.0
68.33968	3.1
69.03427	13.5
69.07068	45.0
70.14246	12.8
71.01350	5.9
71.04977	9.6
73.02912	6.9
77.03888	2.9
79.05493	71.7
81.03414	38.4
81.07055	92.6
82.04195	8.0
83.04980	28.0
83.08613	25.7
84.05762	3.8
85.02913	14.1
85.06551	4.3
89.77473	2.4
91.05476	69.9
93.07040	58.6
94.04203	3.1
94.07841	2.6
95.04968	36.2
95.08605	47.0
97.02904	14.2
97.06532	19.7
97.10151	19.8
98.07304	9.7
99.04447	3.1
99.08115	2.6
105.07028	47.3
107.04938	16.5
107.08591	34.8
109.06487	9.4
109.10165	37.0
111.04436	4.0
111.08080	10.0
115.05435	3.5
116.04725	15.3
116.06092	2.6
117.07018	15.2
119.08580	42.9
121.06518	5.7
121.10133	17.3
123.08083	17.0
123.11682	5.1
125.09636	23.2
127.11185	3.3
129.05487	26.6
129.07001	11.3
130.07794	3.0
131.08549	23.3
133.06474	6.3
133.10130	30.5
135.08047	8.5
135.11664	22.7
137.09595	13.8
139.07458	3.0
141.09061	3.3
143.07019	7.5
143.08554	6.2
145.10114	16.4
147.08017	4.3
147.11678	17.3
149.09641	18.8
151.11151	6.0
153.09138	4.7
153.12770	3.9
157.08603	16.9
157.10103	9.3
159.11681	8.9
161.09595	5.1
161.13240	4.4
163.11159	16.2
165.12784	3.5
171.06606	3.8
171.10139	3.6
171.11691	4.4
173.09621	3.5
173.11723	9.2
173.13176	5.4
175.11169	9.7
181.12209	5.5
184.07327	4.3
185.11659	3.1
185.13184	2.8
186.13322	2.9
187.11224	2.9
187.13293	4.3
189.11240	9.4
193.12234	17.2
199.13242	6.7
199.14851	3.4
209.11679	4.2
211.13338	13.3
223.13148	3.8
227.12784	14.4
229.14362	12.0
243.15913	6.0
245.18863	2.9
253.14366	4.8
255.15860	15.5
257.19156	6.1
267.15964	13.5
273.18613	5.3
275.20056	19.2
283.15085	6.3
285.16901	9.4
291.19568	7.1
301.16434	54.4
323.74316	2.6
349.23639	25.5
397.22321	3.2
421.25714	4.0
439.26886	5.6
455.26395	4.0
469.28220	3.3
479.29675	3.8
481.27649	5.1
511.30118	3.3
512.05853	2.9
541.35211	4.2
559.35510	3.3
575.35803	15.9
582.88898	3.5
593.36041	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	805.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
63.07452	0.9
67.05474	1.5
69.03419	2.1
69.54607	2.1
69.55019	6.0
74.59892	1.0
79.05494	1.6
81.03418	2.0
81.07044	1.1
82.06562	1.6
85.02921	2.8
89.03956	1.4
91.05460	1.8
93.07040	1.8
94.06570	4.8
95.07352	2.1
95.88123	0.9
96.08131	5.2
105.07017	1.1
106.06567	1.7
107.04932	0.9
108.04456	2.3
108.08109	8.2
110.06115	1.1
110.09689	6.0
116.04971	2.4
120.04463	3.6
120.08124	6.5
122.06039	3.8
124.07631	4.6
126.33781	1.2
131.04910	1.4
131.50012	1.1
134.06020	2.7
136.07567	6.7
138.09149	8.9
143.17346	0.9
144.04448	3.9
145.06488	1.1
146.06020	6.5
148.07561	3.5
152.07069	1.1
160.03903	2.4
162.05508	2.9
163.07617	1.0
164.07112	2.0
166.08620	12.8
167.07050	3.2
172.03928	20.4
172.05406	1.4
174.05504	1.8
176.07043	4.7
181.05000	2.4
184.09875	1.2
190.04980	14.0
191.06982	1.5
197.10831	1.0
199.12241	1.8
204.06558	30.9
210.09216	1.7
211.08688	2.5
212.09518	1.8
224.09454	1.7
225.10239	7.2
226.10822	1.1
227.11803	12.4
236.09305	1.0
237.10272	3.0
238.10991	1.5
239.11797	3.8
240.96498	1.0
241.09627	2.0
242.01871	0.9
243.11302	1.5
249.10176	1.8
250.75803	0.9
251.11833	2.7
253.09784	6.1
255.11243	1.7
257.12842	1.4
264.08981	2.2
265.09586	2.2
266.10327	1.5
267.11237	3.4
268.71796	1.0
269.12860	14.4
271.10663	6.9
273.12280	4.5
277.09723	1.6
279.11273	3.6
283.10764	4.7
284.11661	3.0
285.12326	4.2
286.13403	1.6
287.05420	2.0
287.13934	13.0
295.10638	1.5
297.12335	7.1
299.14120	4.5
313.13229	1.4
314.13101	1.7
315.05075	2.3
315.13986	1.8
316.10989	1.2
316.14346	2.1
323.10352	5.4
325.11810	18.1
327.13452	2.5
328.10855	3.7
328.14401	2.2
330.16034	2.0
331.16888	1.4
339.13861	1.8
341.11569	2.0
342.12338	5.9
342.15985	2.0
343.12958	7.6
356.13980	4.8
357.14450	14.1
358.15408	3.7
365.00070	1.1
368.13794	1.3
370.15399	5.1
372.17096	1.2
372.57901	1.2
374.18716	1.0
382.11804	3.0
383.12613	2.3
384.13394	3.0
385.14166	2.0
386.14615	2.5
386.18872	1.9
390.18231	2.9
398.14935	17.7
399.15729	25.3
400.16342	3.0
402.18137	1.6
404.16107	4.9
412.16299	1.4
414.18164	2.9
416.15973	15.3
417.16556	1.0
422.17105	2.7
428.16080	2.0
430.17618	2.6
440.15994	4.2
446.17041	9.6
458.17108	27.9
459.17502	1.5
460.18112	1.2
478.19406	1.4
487.16983	3.8
490.19656	9.4
541.23468	1.1
567.26166	1.5
569.23773	3.7
583.25189	1.4
593.24158	6.2
596.11719	1.2
611.24957	100.0
612.25793	4.4
620.23077	1.6
643.27594	9.8
773.30219	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	805.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	2.1
67.05504	1.3
69.03426	2.3
70.83765	2.9
79.05489	1.9
81.03409	1.1
85.02898	2.7
93.07041	1.9
94.06559	5.4
95.04993	1.7
95.07369	1.3
96.08138	5.1
97.02859	1.5
97.74080	0.9
98.21435	1.0
106.06520	1.0
108.04464	2.0
108.08116	8.6
109.02895	1.8
110.09679	8.0
116.04980	1.8
120.04434	5.0
120.08107	7.6
122.06024	6.1
124.07579	4.7
134.06021	3.8
136.07578	10.5
137.05959	2.2
138.09154	11.7
144.04436	5.4
146.06030	4.9
148.07578	4.1
150.09151	1.5
152.07008	1.7
160.03969	2.3
162.05528	4.8
164.07077	2.2
165.09160	1.1
166.08623	13.5
167.07173	3.2
172.03932	22.6
172.07504	1.3
174.05443	1.9
176.07082	2.3
176.28304	1.0
190.04987	19.0
197.10774	2.3
199.12299	1.9
204.06552	44.2
204.08478	2.4
209.10788	1.8
210.09207	1.8
211.08667	3.1
212.09367	1.8
213.10352	1.3
221.10732	1.2
223.08885	1.6
225.10274	7.2
226.10896	1.4
227.11804	14.2
236.09564	2.2
237.10210	4.4
238.11052	1.8
239.11803	2.9
241.09734	1.5
249.10268	2.1
251.08186	1.0
251.11768	2.6
253.09724	5.9
255.11317	2.5
263.11707	1.3
264.08936	3.4
265.09848	2.8
266.10349	1.8
267.11334	3.0
269.12848	15.2
271.10797	7.5
273.12436	5.7
277.09650	1.9
279.11249	3.8
281.12836	1.7
283.10788	6.1
284.11636	4.3
285.12137	6.0
287.13956	14.9
295.10794	1.9
297.12204	7.3
299.13956	6.2
307.10822	1.6
309.12430	1.9
311.14151	1.6
312.15030	2.7
313.12003	1.4
314.12994	1.5
323.10184	6.7
325.11807	19.2
326.12997	1.4
326.16620	1.9
327.13562	3.0
328.10739	2.6
328.14560	3.7
329.15176	1.3
330.15924	1.7
331.16983	2.3
339.13559	1.5
342.12384	4.2
342.16074	1.9
343.13058	7.6
344.14163	1.7
354.16306	1.2
355.13303	1.6
356.13937	5.5
357.14481	15.5
358.15555	5.5
367.13437	1.3
369.15543	1.4
370.15448	4.5
378.18073	1.5
382.11957	4.0
383.12604	2.7
384.13467	3.7
385.13776	3.2
386.14688	2.8
386.18985	2.0
390.18173	4.1
394.15460	1.8
397.15018	1.7
398.15024	19.0
399.15775	29.4
400.16422	3.1
402.18152	1.9
404.16028	6.4
412.16492	3.5
414.18201	4.4
416.15948	16.3
417.16083	1.4
422.16644	1.3
428.15982	2.6
430.17477	4.6
440.16037	7.2
441.14767	1.3
446.17056	13.4
458.17081	34.4
459.17355	1.5
469.16168	1.3
478.19943	1.1
487.16980	6.8
490.19699	11.8
565.24438	2.9
567.25793	1.3
569.24042	5.5
575.23236	1.1
583.25690	3.2
593.24030	8.7
611.24969	100.0
612.25201	4.2
626.25104	2.4
643.27368	8.8
731.28442	1.4
755.28986	1.3
773.30420	12.3
805.30115	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	805.329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.6
63.02372	1.6
65.03934	4.2
67.05492	4.2
69.03413	5.2
69.24583	2.7
69.24990	18.3
79.05482	7.3
80.05000	2.1
81.03405	7.6
81.07081	1.7
85.02892	2.5
91.05457	4.7
92.04996	4.4
93.05808	1.9
93.07034	5.7
94.06567	15.0
95.04976	5.3
95.07332	2.2
96.08133	8.8
97.02905	4.2
99.04465	3.5
103.05457	2.3
105.07013	2.5
106.06562	21.5
107.07318	6.1
108.04523	2.5
108.08121	65.8
109.02876	6.6
109.39754	1.5
110.09678	15.1
115.05440	2.1
118.06635	2.7
120.04477	23.8
120.08104	25.1
120.43295	2.0
122.06028	8.0
122.09667	7.3
124.07602	8.4
127.03933	4.7
132.04411	1.9
132.08090	4.7
134.06017	4.3
134.09595	3.0
136.07573	43.9
138.05507	9.0
138.09137	23.9
144.08080	3.1
145.83444	1.8
146.05989	3.6
146.09691	2.1
148.04031	2.2
148.07568	100.0
149.08310	4.0
149.96603	1.6
150.05501	4.3
150.09123	23.8
152.07083	9.4
153.01920	2.3
154.08612	3.6
158.09686	1.8
160.07539	2.8
162.05505	10.7
162.09189	5.5
164.03409	3.7
164.07069	8.3
166.04958	2.1
166.08644	47.7
167.07079	5.0
172.03960	6.3
172.07458	2.3
174.05597	3.5
174.09158	14.5
176.07094	2.2
178.04999	27.4
180.10110	1.9
181.05009	1.8
184.09888	3.0
186.09189	3.2
188.03424	41.8
190.04910	2.0
190.08615	4.2
192.06578	5.1
194.08170	3.8
196.06038	10.3
196.09973	2.6
197.10710	2.3
198.09216	3.1
199.09315	2.2
199.12326	3.5
200.07047	1.7
202.07173	1.8
203.08105	4.6
204.06540	15.7
204.10141	4.4
205.06805	1.9
206.04491	7.1
208.08005	2.0
208.09651	9.1
209.10756	2.9
210.07814	1.6
210.11496	2.3
211.08760	2.6
211.12239	3.0
212.09283	2.9
213.10161	9.1
214.08649	2.1
214.10895	1.9
215.11778	3.3
216.10257	2.7
225.10219	19.0
226.08870	1.7
226.11066	5.0
227.11824	16.0
229.13315	12.8
232.09685	4.0
234.11299	1.8
237.10191	5.9
238.11000	5.7
239.08131	4.9
239.11836	7.3
240.08917	3.6
241.09731	19.9
241.13390	3.8
242.10443	2.8
243.11287	10.6
244.11546	6.9
245.12781	5.3
246.11320	2.6
249.10242	5.7
250.10822	3.9
251.08264	3.7
251.11794	5.0
252.06461	1.9
252.08873	2.5
252.12469	1.9
253.09720	30.6
254.10431	4.5
255.11264	26.4
262.04092	1.9
263.11755	2.9
265.09677	13.5
266.10519	10.7
267.11316	26.8
268.11908	5.5
269.09048	1.7
269.12836	7.0
271.10800	7.9
271.14429	41.7
273.12305	12.0
274.10608	9.9
277.09848	3.4
278.10376	2.2
279.11261	7.1
281.09103	5.1
281.12787	2.5
282.09933	3.7
283.10678	8.5
284.11551	4.4
285.12405	17.4
286.12689	5.2
287.13730	5.2
289.15445	6.1
292.11819	15.4
293.09094	8.2
294.09906	3.2
295.10791	19.9
297.12439	13.6
298.12985	2.5
299.10205	8.4
299.13559	2.7
307.10757	3.8
309.12222	3.4
310.12814	23.0
311.10324	4.2
313.11740	13.1
315.13342	7.8
317.11368	3.9
321.08609	1.9
321.12463	1.9
323.10239	6.1
323.13788	2.7
325.11679	4.5
327.13361	2.5
331.12885	10.0
336.10818	8.3
339.09705	4.5
341.11340	6.5
357.14682	8.5
358.15421	5.1
360.17291	2.9
363.13263	1.9
371.16290	2.9
373.14093	3.0
374.14893	3.2
376.16525	2.1
377.15161	2.3
378.18127	10.0
379.16742	2.8
386.14725	3.4
388.16541	7.3
399.15192	3.6
400.16568	3.2
404.15842	5.2
405.14450	3.5
406.17603	32.0
415.18704	3.7
416.15829	3.2
418.17764	4.3
419.18082	2.0
420.19452	4.8
423.15753	3.5
428.15787	3.9
429.16605	3.8
430.17505	5.0
433.19681	2.8
435.15710	2.5
435.21274	1.9
441.16678	4.2
443.14377	2.8
446.17014	11.0
447.17896	16.7
448.18619	40.2
458.17010	7.1
459.17990	3.6
460.18628	3.4
463.20953	2.4
464.18005	6.8
476.17361	1.9
488.18015	2.7
490.19504	3.5
506.19150	4.1
546.21985	3.3
556.20160	2.6
565.23743	2.2
569.23926	11.8
572.20349	4.8
574.21521	2.3
587.24432	3.2
588.23352	2.9
590.20947	5.2
593.23633	5.0
606.24030	4.4
608.22211	7.2
609.23279	2.1
611.25140	29.8
612.25098	2.9
614.20929	5.0
622.23828	2.0
629.25677	5.0
632.22150	4.4
643.27228	5.1
649.26410	3.2
650.23407	40.6
677.25958	8.0
682.25885	18.5
693.29559	2.1
695.26337	9.3
711.29218	2.0
713.27997	2.8
719.26373	4.1
737.28271	12.1
755.28790	4.3
773.30145	17.0
805.32880	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.473
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15665	2.0
57.03440	15.3
57.07034	2.2
58.56888	2.2
65.03925	4.9
67.05505	75.4
69.03413	7.2
69.07072	19.3
71.04987	6.6
71.32445	3.9
72.82301	2.2
74.42278	2.1
77.50669	2.2
79.05063	4.3
79.05492	57.0
81.03417	100.0
81.07057	73.5
83.04982	19.0
83.08618	20.8
85.02900	5.4
85.06536	8.3
91.05482	72.9
93.07043	44.2
95.04961	36.2
95.08601	31.5
95.18348	2.2
97.02896	6.2
97.06508	8.1
97.10162	7.2
99.04443	2.7
99.77707	2.2
105.07034	61.1
107.04959	16.4
107.08595	45.3
109.06521	11.7
109.10149	61.1
111.04434	6.6
111.08064	7.8
113.06007	2.4
115.05466	4.5
117.07015	11.4
119.08569	26.8
121.06496	9.5
121.10150	14.5
123.04411	4.9
123.08055	5.4
123.11690	10.2
125.09653	6.7
128.06158	3.0
129.07008	14.4
131.08557	20.8
133.06493	7.4
133.10129	70.2
135.08052	12.0
135.11673	8.3
137.09633	5.5
138.93111	2.2
142.07745	5.0
143.08592	5.6
145.10159	13.3
147.08037	8.5
147.11731	10.6
149.09607	10.7
149.13268	3.2
151.11168	31.1
155.08545	2.7
157.10112	15.0
159.08034	3.5
159.11716	8.4
161.09621	8.8
161.13298	2.1
163.11180	7.8
169.10126	2.2
169.12216	6.3
171.11676	5.9
173.09573	2.4
175.11163	10.9
184.07307	2.4
191.10779	2.5
193.12247	25.8
209.11746	4.9
215.12831	4.1
227.12755	7.5
229.14294	5.8
244.05984	2.5
245.19102	5.0
249.14880	3.4
253.14340	97.1
254.14769	3.0
263.20102	5.1
267.15921	83.8
268.16165	2.4
273.18497	17.7
275.20078	2.9
283.15494	13.7
287.20050	6.4
291.19601	22.2
309.20767	3.1
320.73605	2.1
343.22928	3.5
347.22061	6.7
365.19751	2.6
365.23294	32.2
371.22046	2.4
389.22977	3.5
445.25937	22.6
447.28894	2.5
463.26889	34.3
465.30222	4.5
465.90796	2.2
539.33917	13.4
557.34778	87.6
558.34851	3.5
575.35382	4.2
607.34906	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	804.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05828	1.8
57.03435	11.7
57.07090	2.6
65.03929	3.4
67.05502	38.8
69.03429	9.3
69.07072	21.5
69.88705	1.5
69.94041	8.2
71.04995	2.5
79.05489	38.1
81.03419	72.0
81.07053	31.0
83.04983	11.4
83.08618	24.1
85.02901	3.0
85.06526	1.7
91.05479	37.8
93.07043	27.1
95.04970	28.2
95.08605	15.4
97.02874	8.6
97.06518	5.6
97.10178	13.7
105.07024	21.7
107.04955	12.2
107.08592	21.2
109.06512	6.0
109.10168	16.6
111.04469	4.2
111.08067	7.0
117.07036	7.9
119.04900	2.1
119.08576	23.0
121.06500	8.3
121.10121	11.1
123.08073	4.7
123.11654	2.4
125.09618	9.6
129.07013	11.1
129.76471	1.7
131.08569	15.7
133.06467	5.4
133.10129	18.1
135.08037	4.6
135.11684	5.4
137.09619	4.9
142.07794	3.8
143.08578	4.6
145.06491	2.7
145.10191	10.1
147.08051	6.2
147.11691	6.2
149.09602	9.0
149.13274	2.0
151.11183	4.9
153.09134	2.1
155.08467	1.5
157.10164	11.5
159.08127	2.2
159.11685	2.4
161.09624	4.2
163.11197	6.3
169.12180	2.2
171.11697	3.1
173.09631	2.9
173.13181	2.6
175.11211	8.7
177.12810	1.8
184.07364	3.1
186.18767	1.6
189.11212	5.5
193.12238	19.6
205.12146	2.6
219.13791	4.7
223.13243	16.8
227.12704	10.6
229.14372	2.3
249.14851	4.7
253.14287	8.5
267.15912	88.8
273.18558	13.3
283.15433	5.3
285.16797	2.1
289.17969	1.9
291.19528	75.1
313.21564	4.5
321.04736	1.7
347.22244	2.1
365.23215	47.2
367.22781	1.9
445.25821	7.4
459.27219	5.3
463.26639	3.8
465.29666	1.8
477.28528	3.0
483.31342	3.7
505.53784	2.2
539.33325	9.6
557.34735	100.0
558.35291	4.0
635.68976	1.9
719.20245	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96530	0.3
61.79716	0.3
68.44067	0.3
69.03416	0.9
69.98193	1.1
69.98611	0.6
79.01842	0.4
81.03416	2.9
95.08600	0.5
97.02880	0.7
98.97546	0.5
107.08598	0.3
109.02872	1.7
112.21092	0.3
116.98604	0.5
119.08562	0.8
127.03919	0.6
131.04938	0.5
133.02844	0.3
133.10130	0.9
134.45367	0.3
134.53331	0.3
143.03377	0.5
147.04385	0.9
153.01811	6.6
153.02989	0.4
154.02113	0.4
163.03929	0.4
165.01813	0.6
175.03851	0.9
175.14671	0.4
191.03380	1.4
192.63513	0.3
193.01312	0.5
203.03369	1.9
203.05147	0.7
219.02982	1.9
221.00816	3.6
231.02887	1.7
233.00922	0.4
239.01805	0.4
247.02354	1.8
259.02347	2.2
275.01785	2.1
277.03461	5.0
293.02902	0.6
303.01437	2.8
321.02542	1.0
339.03278	2.0
395.19144	0.3
410.20633	0.5
410.70697	0.4
412.18719	1.1
412.68793	1.0
413.21420	100.0
414.21600	2.8
431.22226	1.0
465.06317	0.4
522.35205	0.3
803.08954	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	16.8
57.07075	2.5
59.04998	4.7
61.02920	5.0
65.03954	3.0
67.05505	64.5
69.03432	3.5
69.07073	13.0
71.01348	1.4
71.04996	4.8
71.57850	1.1
71.58237	1.9
73.02905	4.2
79.05491	33.6
81.03414	20.9
81.07055	31.7
83.01337	8.7
83.04987	13.5
83.08621	17.4
85.02905	17.8
85.06529	2.5
87.04465	3.1
91.03941	2.0
91.04908	1.3
91.05479	22.3
93.07042	34.1
95.04961	11.3
95.08604	13.6
97.02881	7.8
97.06533	8.2
97.10167	10.6
99.04472	2.8
103.03963	1.5
105.07018	12.2
107.04940	10.7
107.08592	20.6
109.06531	8.1
109.10154	45.9
111.04431	1.8
111.08097	5.1
111.66808	1.3
113.05979	1.5
117.07006	9.2
119.08592	14.3
121.06512	4.2
121.10144	9.3
123.08076	9.8
123.11733	1.3
125.09632	14.3
127.03893	1.4
129.05478	2.7
129.07014	2.4
130.07793	1.7
131.08566	6.4
133.10146	4.5
135.08102	2.5
135.11705	12.9
137.09645	3.3
143.08574	2.0
143.10655	2.6
145.10121	18.6
147.08052	3.6
147.11661	2.6
149.09612	3.2
151.11200	1.2
152.14389	1.2
153.12766	6.5
155.08559	2.0
155.10641	1.8
157.10034	1.2
160.17522	1.2
163.11180	32.4
173.09668	5.3
173.11743	17.2
173.13174	2.3
178.96771	1.0
181.12242	6.6
184.07336	1.5
189.11183	1.3
191.10672	8.1
193.12207	2.4
199.13277	7.6
202.44987	1.1
209.11719	16.0
211.13271	1.5
227.12770	17.3
229.14360	47.9
257.13895	1.9
265.14343	1.9
267.15900	3.4
275.20078	2.1
283.15393	100.0
284.15781	2.1
301.16409	12.8
349.23743	1.9
399.23849	11.8
407.24261	2.1
425.25452	4.6
437.25348	37.5
438.25037	1.3
509.27737	6.1
527.28656	2.2
607.34735	23.5
608.35010	1.9
679.25256	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.5
65.64350	1.4
67.05503	4.9
69.03414	5.6
69.07079	1.8
70.83800	3.5
71.04990	2.4
78.04655	1.9
79.05485	6.6
81.03423	22.5
81.07049	9.0
82.03748	3.1
83.04976	5.7
83.08603	2.5
85.02902	4.6
91.05473	11.7
93.05722	1.7
93.07057	6.4
94.06580	5.1
95.04962	5.6
96.08147	5.7
97.02900	5.9
97.06528	3.5
99.04463	2.0
103.05486	2.1
105.07050	6.3
106.06625	2.5
106.07349	2.0
107.04993	4.9
107.08566	3.6
108.04478	2.3
108.08116	11.1
109.02895	5.8
110.09682	4.9
111.04438	2.9
111.08157	1.8
112.44034	1.5
112.80523	1.3
115.05462	1.8
116.04942	2.2
117.07024	3.1
118.06551	2.9
119.08629	3.8
120.04475	5.1
120.08137	10.1
121.10142	2.0
122.06052	10.0
122.09684	3.7
123.04402	2.7
124.07590	5.3
127.03921	4.4
129.07031	3.4
131.08485	1.7
133.06512	2.6
133.10153	1.9
134.05917	2.1
135.04398	1.8
136.07596	17.9
137.05988	3.5
138.09148	13.2
144.04465	6.5
145.06477	1.8
146.06009	17.7
147.11664	3.6
148.07587	3.5
149.06030	1.9
150.05518	2.2
150.09178	4.6
151.03879	2.2
155.08556	2.0
157.08818	2.0
157.10114	2.2
160.03928	2.6
160.07587	1.8
161.06059	2.7
162.05492	7.4
164.07068	3.3
165.05569	2.5
165.09111	3.0
166.08647	14.3
167.05705	1.9
167.07036	11.5
170.09708	4.1
172.03934	24.6
172.07541	2.9
173.05959	2.6
174.05516	6.8
174.09213	2.2
177.09048	2.2
178.05013	2.7
181.04961	5.5
184.11285	2.3
186.09142	3.2
187.12321	6.0
188.03442	1.9
188.06999	1.9
190.04961	8.7
191.07076	2.1
192.10243	1.8
193.12256	4.4
194.12553	1.7
198.09175	33.2
204.06561	30.5
206.08093	2.4
210.09200	4.4
211.13205	5.4
212.09082	2.0
212.10735	5.5
212.13602	3.3
213.10118	2.6
213.13910	2.2
215.11818	21.5
216.10286	2.9
223.08684	1.8
225.10309	1.9
226.08667	5.1
227.08224	2.3
227.11826	14.5
229.13329	2.2
232.09720	2.8
235.08910	2.0
236.09451	2.6
237.10190	2.6
238.08676	2.3
239.11879	3.4
240.08772	2.4
241.09709	13.5
241.13463	2.7
242.10579	2.6
243.11296	100.0
244.09662	4.6
248.37582	1.5
250.11206	1.8
251.11717	3.3
253.09708	4.1
255.11304	35.5
257.12866	7.2
264.09042	2.1
265.09787	2.4
267.11230	3.6
267.15912	2.7
268.16351	2.3
269.09253	5.0
269.12915	3.1
279.11072	5.7
281.12878	2.2
283.10748	18.2
284.11429	2.4
285.12338	91.3
292.08710	2.4
295.10883	1.9
297.12332	6.0
301.11664	2.0
303.13327	9.9
307.10648	3.6
309.12411	3.0
313.11963	3.2
317.32791	1.9
325.11716	11.8
337.11722	2.1
343.13138	5.8
345.14603	2.9
357.14450	5.2
358.15320	2.2
359.16019	2.4
397.13187	2.0
400.16422	2.0
403.15411	2.5
409.13901	2.0
411.15494	6.8
417.15259	7.5
427.15021	6.4
429.16745	9.7
444.15631	3.4
445.16092	4.9
447.17502	9.5
456.15244	3.4
470.17114	3.6
474.16727	4.6
505.00244	1.8
544.21918	2.2
574.21301	2.2
588.20087	3.9
591.22467	2.2
600.20026	3.0
609.23212	3.6
689.26019	2.5
707.26929	4.5
735.26129	5.4
753.27240	6.2
757.30731	1.8
771.28656	13.9
782.50543	1.8
785.30145	25.0
803.29340	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	803.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.0
57.27601	1.6
65.03954	2.9
67.05517	6.9
69.03439	7.9
69.07069	2.9
70.41801	1.5
71.58450	2.6
79.05512	10.0
80.05046	1.8
81.03423	23.7
81.07074	7.9
82.03796	2.5
83.04987	4.9
83.08630	2.7
85.02918	5.9
87.78468	1.6
91.05491	8.9
93.03417	1.8
93.07059	5.4
94.06588	5.7
95.04975	7.5
95.07340	3.9
95.08640	2.9
96.08128	5.3
97.02907	5.6
97.06544	3.3
99.04465	2.2
103.05492	5.4
105.07062	6.1
107.05008	4.5
107.08604	1.9
108.08127	13.5
109.02900	6.6
110.09701	8.5
111.04476	3.6
111.08125	2.5
115.05469	3.0
116.05034	3.1
118.06580	2.2
119.04975	1.9
119.08606	4.6
120.04509	3.7
120.08115	8.4
121.06546	2.8
122.06010	10.9
122.09711	4.7
123.04446	1.8
124.07621	4.3
127.03910	3.0
129.06992	2.7
131.04927	3.1
131.08589	2.0
136.07576	22.7
137.06004	4.6
138.09100	12.1
144.04480	5.9
145.06554	3.5
146.06015	12.7
147.11723	3.5
148.07588	3.8
149.06017	2.1
150.09198	4.6
152.07129	3.2
160.04001	2.4
160.07524	2.0
161.06021	3.4
161.07199	2.6
162.05478	8.0
164.07048	2.8
165.05466	2.4
166.08640	17.6
167.07045	18.2
170.09644	6.9
172.03931	21.8
172.11197	2.4
173.06015	4.0
174.05530	7.4
174.09148	1.9
175.11247	2.5
176.08347	4.0
177.05479	2.5
177.09100	2.2
181.04980	5.6
182.09680	2.9
183.06747	2.1
184.07530	2.3
185.08380	2.5
186.09245	3.0
187.12361	5.2
188.10793	2.6
190.04968	9.7
191.07079	3.4
192.06544	3.2
193.12311	4.2
194.12531	2.3
198.09187	27.4
199.12474	2.4
200.10851	3.0
204.06572	29.2
206.08109	2.4
210.09265	2.6
211.13264	5.2
212.09174	3.1
212.10774	5.7
212.13635	2.6
213.10297	4.1
215.11800	22.3
216.10255	3.2
225.10277	4.8
226.08771	10.4
227.11765	13.5
236.09419	2.6
239.08078	2.3
239.11917	3.8
241.09703	17.7
241.13345	2.0
242.10579	3.6
243.11284	100.0
244.09483	4.2
246.11333	3.8
251.11784	3.5
252.10149	2.0
253.09755	5.2
255.11288	36.8
257.12875	9.9
265.09698	3.0
267.11368	3.5
269.09232	4.6
269.12698	2.0
275.23877	1.9
279.11328	5.3
281.13046	2.2
283.10806	19.1
285.12341	97.0
286.12894	2.1
293.09000	2.1
297.12387	5.0
301.11902	5.2
302.12640	1.9
303.13412	14.1
307.10889	3.5
311.10211	2.1
313.11819	1.9
321.08685	2.1
325.11761	11.1
339.13394	3.7
343.13205	3.5
357.14395	3.8
369.14450	2.3
370.15579	1.8
375.15610	1.7
386.15103	2.4
391.98279	1.7
393.14371	2.0
411.15640	5.7
412.16516	2.4
417.15463	10.4
427.15063	6.1
428.16019	3.0
429.16675	10.6
444.15271	2.8
445.16080	5.6
447.17630	13.2
456.15668	5.0
456.68262	1.9
470.17322	4.8
474.16583	2.3
544.20612	3.5
588.19556	4.2
600.19928	3.4
609.24005	3.4
618.20618	5.4
641.35175	2.7
689.25977	3.4
707.27289	5.5
721.28760	2.3
725.28949	2.1
735.25916	7.0
753.27533	8.4
771.28998	16.0
785.30212	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	803.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31805	1.1
65.03955	2.1
67.05486	3.7
69.03402	4.5
69.07042	1.3
69.39438	12.3
73.02907	1.8
79.05476	3.1
81.03412	7.5
81.07043	2.9
83.04970	1.3
85.02889	2.5
89.03915	1.5
91.05476	4.9
93.07034	3.5
94.06563	5.4
95.04957	3.8
95.07362	1.3
95.08610	1.7
96.08126	4.4
97.02879	4.4
98.21480	2.7
99.24899	1.2
103.05501	1.9
105.07036	2.6
106.06593	2.1
107.04948	2.8
108.04517	1.3
108.08109	13.8
109.02892	3.1
109.10149	2.4
110.09006	1.6
110.09689	5.6
115.05444	1.8
116.05002	2.9
118.06526	2.0
119.08610	1.8
119.32332	1.2
120.04438	1.8
120.08100	9.6
121.06579	1.5
122.06030	12.5
122.09676	2.1
124.07597	5.4
127.03922	1.9
128.06197	2.1
130.06516	1.4
132.66380	1.3
134.05994	3.3
136.07584	20.4
137.05991	1.7
138.09172	11.8
141.07054	1.3
144.04433	6.3
144.08090	2.6
146.06010	18.1
146.09634	1.7
147.11653	1.5
148.07587	4.0
150.05525	2.2
150.09128	5.6
152.07077	1.7
153.01842	2.7
156.08041	1.8
160.07545	3.0
162.05481	7.8
163.07530	1.8
164.07053	3.5
166.08618	12.6
167.07028	5.8
170.09654	6.0
171.10580	1.4
172.03925	20.5
172.07544	2.1
172.11143	1.7
174.05525	6.9
174.09134	1.8
175.07439	1.7
177.05440	1.5
181.04979	3.1
182.09637	1.9
183.06711	1.7
184.11255	1.9
186.09077	2.0
187.12350	4.4
190.04927	8.5
191.07048	2.2
196.09851	2.2
197.08336	2.0
198.07581	2.4
198.09167	24.9
199.12303	2.6
200.09326	2.9
204.06564	34.6
206.08138	2.1
210.09207	3.8
211.08614	1.7
211.12199	1.7
212.09305	4.0
212.10867	3.8
213.10265	5.7
215.11797	21.6
216.10214	3.1
221.10883	1.5
223.12305	1.4
225.10182	4.9
226.08748	6.8
227.08261	2.8
227.11812	11.6
228.08881	1.6
229.09740	1.6
229.13298	2.0
235.08797	1.4
235.12209	1.4
237.10272	2.5
238.08684	2.1
239.11789	3.1
240.08606	2.4
241.09714	17.5
241.13390	2.9
242.10406	2.4
243.11295	100.0
244.11713	2.1
246.11317	1.7
249.10435	1.4
251.11835	4.1
253.09709	4.6
253.13332	2.4
255.11298	32.3
256.11932	3.6
257.12875	7.0
263.11826	2.5
265.09750	2.6
267.11139	2.4
269.09180	5.4
269.12720	2.2
279.08453	1.4
279.11261	6.7
281.09164	2.0
281.12692	2.2
283.10773	22.7
284.11572	3.1
285.12341	94.3
286.12753	2.2
291.07434	1.5
291.11160	1.9
293.12686	1.8
295.10742	2.6
297.12335	5.8
299.14166	1.4
301.11859	5.1
302.12463	1.4
303.13388	11.1
307.10666	3.6
309.12393	2.2
311.10382	1.8
313.11731	1.9
316.21954	1.2
325.11716	12.6
327.13376	1.7
339.13394	3.5
340.14316	2.9
341.14987	2.0
343.12521	5.0
345.14465	2.4
353.10294	1.9
357.14386	7.3
359.15729	2.5
368.13962	1.3
393.14508	2.3
403.15329	1.4
407.35471	1.3
409.13983	2.6
410.15015	2.1
411.15448	7.8
412.16498	1.7
414.14044	2.5
417.15176	1.8
427.14993	12.3
428.15665	1.7
429.16595	14.5
445.15909	8.2
447.17532	10.7
456.15622	4.8
457.16266	1.7
474.16617	3.5
487.17102	1.6
488.18069	6.9
544.21240	1.7
562.21820	2.1
570.18646	2.0
582.18262	1.9
588.19434	3.8
591.22198	2.1
600.19659	4.2
606.20697	1.9
609.23218	6.0
618.20697	4.1
649.22137	2.4
650.23450	13.2
689.25854	3.3
707.26721	3.2
709.27753	2.1
717.24811	2.0
735.26135	8.7
743.28796	2.5
753.27795	9.3
771.28632	15.2
803.37421	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	803.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.5
61.02909	1.4
62.97411	0.7
63.01017	0.7
67.05492	3.2
69.03431	5.5
69.07051	1.0
70.87108	1.9
73.02904	1.7
79.05479	1.8
81.03419	4.5
81.07062	2.0
83.04976	0.8
85.02907	4.7
87.04469	1.1
91.05468	2.1
92.46971	0.7
93.07030	1.6
94.06565	1.6
94.52408	0.9
95.04964	1.1
96.10687	0.9
97.02877	2.6
97.06518	0.8
99.04465	1.5
105.07059	1.0
107.04936	1.1
108.08115	8.4
109.02880	1.9
109.06542	0.9
120.08112	1.5
122.78765	0.8
127.03935	1.5
128.93364	0.7
129.07036	1.0
133.10077	0.8
136.07578	11.4
137.05992	1.5
147.04382	0.9
148.07533	1.6
153.01830	1.3
164.07059	2.8
164.08429	0.8
167.07033	3.4
181.04958	2.0
209.08228	0.9
219.51280	0.9
227.08124	1.0
235.08510	0.8
235.12288	0.9
237.10175	2.2
239.11684	1.0
249.10258	2.7
250.10991	2.1
251.11739	4.7
253.09734	0.8
261.10223	1.4
262.10995	2.2
263.11761	6.2
264.12503	1.0
265.09686	2.9
265.13443	0.8
267.11328	0.9
277.09778	4.5
278.10495	2.3
279.11237	4.7
280.11819	2.1
281.12741	1.8
283.10880	1.6
285.12448	1.3
290.10345	1.1
291.11264	10.4
292.12161	1.7
293.12738	4.6
295.10724	2.3
297.41238	0.8
307.10638	1.2
309.12265	1.3
311.09976	0.8
312.15009	0.9
319.10699	2.6
324.11060	2.8
324.14639	1.0
325.11887	3.4
325.15402	1.0
326.12460	1.1
336.11099	1.1
337.11771	4.3
338.12830	1.1
339.13770	1.3
340.14499	6.1
341.15170	1.1
342.16022	1.3
351.13361	1.1
352.14383	2.5
353.11206	1.3
353.15381	1.2
354.12296	2.6
354.16104	2.8
355.13202	1.6
356.13855	2.6
356.17682	1.4
366.12100	1.6
366.16162	1.3
367.13171	2.6
368.13812	6.1
368.17734	1.8
369.14594	2.3
370.15421	3.6
372.17029	0.9
380.13916	2.9
381.14612	1.6
382.15585	6.2
383.16367	2.4
384.17294	4.3
386.18698	4.1
396.13141	2.8
396.17728	3.7
398.14697	2.4
398.19165	1.2
399.15826	1.1
400.16412	2.6
408.13098	1.2
409.14407	1.1
410.14948	3.3
411.15500	1.4
412.16754	4.2
413.17465	1.6
414.18204	2.8
416.19891	1.8
424.16763	1.9
425.17212	0.9
426.18082	1.1
427.14856	1.1
428.16083	3.2
440.15967	1.2
442.13181	1.4
442.17627	3.4
444.19476	4.8
446.17465	4.7
452.16159	1.9
456.15747	1.4
460.18585	4.0
470.17181	6.8
471.17456	1.1
472.18326	1.7
486.16263	1.3
487.17633	5.3
488.18155	30.3
609.23633	4.0
631.20935	1.4
632.22705	4.9
648.21228	1.0
649.22675	18.8
650.23419	100.0
651.23553	3.9
727.28894	1.6
753.27472	1.3
771.28601	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.0
69.03432	11.2
69.85405	3.9
71.01355	1.2
71.04987	1.4
73.02920	0.8
79.05487	0.8
81.03419	28.4
83.01344	0.8
85.02910	6.4
91.05469	1.7
97.02884	4.4
99.04453	3.9
101.02370	1.7
103.05473	1.9
107.04901	1.3
109.02881	16.3
111.04481	1.8
117.03362	0.8
119.04935	2.0
121.02862	0.8
123.04448	0.9
127.03915	11.7
129.03224	0.7
131.04907	1.7
133.02837	2.1
135.04381	1.5
137.02325	2.5
139.03935	1.8
143.58377	0.7
145.02803	1.4
145.04970	0.8
147.04414	7.1
149.02284	1.1
153.01837	4.1
157.02863	1.8
159.04376	1.6
163.03900	5.9
165.01834	8.3
165.05431	1.0
167.03374	4.4
173.02357	1.6
175.03899	8.0
177.01787	3.2
177.05542	0.7
179.03441	1.7
181.01350	2.0
181.04984	1.0
183.02901	3.9
185.02359	1.7
187.03925	6.6
189.01877	0.7
191.03403	17.8
193.01294	9.4
193.04971	2.0
195.02895	3.3
197.00990	0.7
201.01836	5.4
203.03389	23.7
205.01399	3.7
205.04967	1.7
207.02893	3.1
209.04498	0.7
211.02425	1.9
213.01855	3.8
215.03394	4.3
217.01483	0.8
219.02887	26.8
221.00816	23.5
221.04164	4.4
223.02411	3.4
229.01297	3.8
230.01923	1.1
231.02884	29.3
233.00856	5.0
233.04414	1.3
237.03847	1.1
239.01869	8.1
241.01294	3.9
245.06590	1.1
247.02379	31.2
248.02856	0.7
249.03905	5.4
257.00815	7.3
258.01514	1.1
259.02377	35.9
260.02878	1.2
265.03375	4.8
271.90579	0.7
275.01865	30.3
276.02664	4.2
277.03430	100.0
278.03793	2.0
285.00351	5.6
289.03357	0.7
293.02902	24.2
303.01346	61.5
304.01703	2.1
305.02811	0.7
311.03799	1.1
321.02408	16.2
339.03488	30.3
345.02463	2.1
357.04572	2.7
365.04816	0.7
385.06195	0.7
403.05777	0.7
406.65256	0.7
411.03571	0.7
419.06183	1.3
429.04318	1.2
447.05548	2.9
465.06760	3.0
483.07819	1.5
547.06488	0.8
785.07709	1.6
803.09497	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	803.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.1
62.18597	0.7
65.07681	0.9
66.85213	0.7
69.03424	11.0
71.01351	1.1
71.09660	2.2
73.02919	1.5
78.11727	0.8
79.01865	0.9
81.03416	24.6
85.02913	6.7
91.05489	1.7
97.02876	5.3
99.04448	4.4
101.02404	2.0
103.05458	2.0
109.02881	15.1
111.04490	1.5
117.03389	1.0
119.04967	1.3
125.43577	0.7
125.58515	0.7
127.03920	10.8
131.04938	1.9
133.02837	2.4
135.04427	2.2
137.02353	2.6
139.03917	2.5
143.00511	0.8
145.02843	0.9
145.05008	1.7
147.04431	5.1
153.01865	3.2
157.02872	1.9
159.04462	1.6
163.03886	5.1
165.01842	6.8
165.05476	1.3
167.03418	4.6
173.02289	1.1
175.03896	6.6
177.01802	2.8
177.05315	0.9
179.03415	2.5
181.01285	2.5
183.02861	2.6
185.02386	2.3
187.03807	4.9
191.03392	15.1
193.01314	7.2
193.04956	2.4
195.02863	3.6
201.01840	4.4
203.03389	23.4
205.01279	2.1
205.04987	1.8
207.02910	3.0
211.02390	2.3
213.01756	3.7
215.03429	3.9
217.01395	1.2
219.02885	28.3
221.00844	15.8
221.04491	2.2
223.02394	3.3
229.01215	4.5
231.02882	26.0
233.00812	3.0
235.02567	0.9
235.69083	0.9
239.01921	3.5
241.01353	4.4
247.02374	37.3
249.03951	4.9
257.00851	8.3
259.02365	37.5
260.02808	1.7
265.03421	6.2
275.01852	29.9
276.02560	4.2
277.03427	100.0
278.03824	2.6
285.00366	4.8
293.02902	24.2
303.01340	69.6
304.01880	1.7
315.01468	0.9
321.02420	15.8
339.03479	24.5
341.02209	0.9
345.02496	1.4
357.04520	1.7
447.05493	3.0
465.06625	2.2
483.07843	1.6
547.07104	1.7
785.08069	2.2
803.08655	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	803.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
60.79232	1.2
62.69253	1.0
69.03429	13.7
71.04973	0.9
71.56859	1.2
74.86528	1.1
81.03418	21.7
82.03759	1.2
85.02893	4.5
91.05486	1.1
97.02875	2.6
99.04426	1.9
103.05456	2.8
103.41247	1.1
109.02877	11.1
119.04908	2.1
127.03905	10.6
131.04922	4.0
147.04361	7.7
153.01845	1.4
157.02849	1.6
159.04350	1.9
161.44292	1.1
163.03871	2.7
165.01848	2.7
175.03879	10.0
179.03404	1.4
185.02368	2.3
187.03870	6.4
191.03384	6.2
193.01361	5.5
193.05002	1.3
201.01863	5.0
203.03368	18.9
207.02800	1.1
213.01848	4.5
215.03360	5.0
219.02901	8.3
221.00810	18.1
221.04256	5.9
229.01324	2.6
230.01985	1.3
231.02876	34.9
232.03401	1.3
233.00833	1.7
239.01924	1.6
241.01309	4.1
247.02345	12.0
248.77292	1.2
249.03955	4.0
257.00735	5.2
259.02380	39.7
260.02960	2.1
275.01822	10.6
276.02570	2.3
277.03418	100.0
278.03766	4.9
279.03958	2.7
285.00433	2.8
293.02798	6.7
302.00476	4.0
303.01288	43.8
304.01501	2.2
321.02414	18.2
339.03442	13.2
419.05865	1.3
447.05902	1.5
465.06873	5.4
483.07584	7.0
621.24908	1.4
710.30115	1.4
785.07349	1.9
808.54443	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.5
57.34682	1.3
61.02924	7.9
61.13495	1.3
65.03982	1.5
67.05510	6.7
69.03419	3.5
70.84529	1.5
71.28873	3.3
73.02916	5.1
73.11306	1.3
75.71442	1.3
76.44179	1.3
78.57426	1.3
79.05488	5.7
81.07040	3.8
85.02914	5.8
91.03970	4.3
91.05489	2.8
93.07039	4.7
95.08628	4.5
97.02901	5.0
97.24420	1.4
99.98686	1.4
101.02358	1.7
105.07045	2.2
107.08600	2.0
121.10141	1.6
127.03902	2.6
221.36766	1.3
230.15300	1.3
292.96951	1.6
515.42926	2.1
519.29236	16.0
548.26038	1.8
797.51685	100.0
798.51831	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	801.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	11.8
59.93640	1.7
61.02922	3.9
65.03959	2.6
67.05502	26.1
69.03423	24.9
69.07056	7.0
69.07433	1.8
71.01324	2.5
71.04978	7.5
71.58018	2.8
73.02893	3.8
73.80227	2.0
79.05492	28.4
80.37600	1.6
81.03416	100.0
81.07050	35.4
83.04981	21.4
83.08615	21.1
85.02901	22.2
91.03947	2.8
91.05482	33.0
93.07043	18.5
95.04968	27.7
95.08598	10.5
97.02895	20.5
97.06522	8.0
97.10177	6.0
99.04453	8.1
105.07029	26.4
107.04957	7.9
107.08598	10.1
109.02869	18.1
109.06528	6.4
109.10129	3.8
111.04422	12.8
111.08100	8.8
113.06017	2.8
117.07020	6.1
119.04941	2.9
119.08581	24.2
121.06512	6.3
121.10136	12.6
123.04432	2.5
123.08057	2.7
123.11685	5.0
125.09648	4.3
127.03911	17.6
129.05501	3.4
129.07019	12.0
131.04930	3.4
131.08568	15.1
133.06485	4.4
133.10144	13.0
135.04405	3.0
135.08038	2.3
135.11725	3.7
137.05966	5.3
142.07773	2.9
143.08594	2.9
145.06393	1.9
145.10101	5.6
147.04419	3.1
147.08073	4.5
147.11694	24.1
149.05962	1.8
149.09573	4.9
149.20644	1.7
153.01744	3.4
153.12766	3.1
157.10138	14.2
159.11713	3.0
161.06024	2.7
163.11224	5.0
165.12762	5.3
165.54311	2.0
167.07019	4.6
167.08453	1.9
173.04498	8.8
173.09564	2.0
175.11174	13.0
181.12222	3.1
183.13943	1.9
189.11124	2.5
191.10674	3.9
193.08510	2.9
193.12239	41.9
205.12349	2.1
211.13277	53.7
227.12775	5.1
229.12231	2.1
229.14404	6.6
235.13348	3.0
267.15933	22.4
267.41910	1.9
271.13065	2.1
273.14755	4.2
283.15466	4.5
285.10144	4.2
285.17001	15.4
301.14368	5.1
319.15421	3.8
337.16693	3.1
355.17499	5.1
375.18094	3.8
375.68896	2.0
385.23627	4.5
393.19186	3.7
411.19946	4.5
429.21097	5.0
459.27338	11.9
477.28366	17.4
495.29581	14.8
519.29456	3.0
525.96228	2.3
603.31628	4.2
621.32483	10.1
639.33838	11.8
758.70947	2.0
783.37378	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.8
61.02929	6.5
64.61140	0.6
67.05501	8.9
69.03424	5.1
69.07063	3.3
71.01353	0.9
71.04983	1.4
71.57983	0.9
73.02914	4.0
73.11066	0.6
79.05501	5.6
80.48691	0.6
81.03416	7.0
81.07059	7.9
83.04996	1.9
83.08611	1.9
85.02901	7.5
86.09711	1.9
91.03950	3.8
91.05486	5.5
93.07030	5.1
95.04967	2.1
95.08568	4.0
97.02888	5.3
97.06551	1.1
97.10179	1.7
99.04453	0.9
101.02401	1.8
103.05460	1.1
104.87714	0.6
105.07005	4.0
107.04931	1.5
107.08604	3.2
109.02894	1.9
109.06548	0.7
109.10172	3.0
111.08068	1.6
115.24841	0.7
117.07062	0.9
119.08603	2.5
121.10163	2.0
125.09650	1.1
127.03941	2.3
129.06979	1.5
131.04977	0.8
131.08595	1.5
133.06436	0.9
133.10152	2.5
135.11646	1.0
145.10065	1.3
147.11720	1.8
149.09679	1.2
153.01814	1.5
157.10124	1.4
159.11688	0.8
163.11189	1.8
175.11259	1.2
184.07324	5.0
185.07545	0.7
193.12303	1.7
211.07764	0.7
217.01256	0.8
229.14342	0.7
231.02895	0.9
243.08321	3.4
251.12531	1.2
258.94308	0.7
259.02429	2.0
266.43768	0.8
270.09494	0.8
277.03424	3.9
303.01260	4.4
307.15329	0.7
328.83261	0.8
351.03549	1.1
351.21402	3.2
469.20392	8.3
569.29297	6.4
570.29919	0.9
797.42865	100.0
798.43195	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	797.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61182	0.7
56.84364	0.7
57.72590	0.7
69.03078	1.3
69.03429	17.4
70.61796	1.7
70.62193	1.8
71.01353	0.8
81.03414	34.0
85.02890	5.2
89.03925	1.1
91.05486	1.4
95.04976	0.9
97.02878	3.6
99.04449	1.4
99.99679	0.7
103.05463	0.9
105.03358	0.8
109.02137	1.1
109.02875	19.7
117.03374	1.1
119.04922	1.3
127.03896	4.8
131.04941	1.6
133.02844	2.6
137.02357	0.9
145.02882	1.9
147.04404	2.6
151.03983	0.9
157.02827	3.0
161.02354	2.6
163.03889	6.2
173.02327	4.0
175.03909	5.2
179.03371	2.4
185.02324	2.7
187.03900	5.9
189.01799	5.7
190.02658	2.0
191.03384	6.8
201.01875	6.3
203.03362	6.4
206.02083	0.9
207.02946	4.1
213.01822	5.3
215.03404	6.1
217.01317	7.4
218.02098	6.4
219.02892	9.8
220.03545	0.9
221.00861	1.3
221.04494	1.4
227.36040	0.8
229.01338	5.5
230.01979	0.9
231.00702	1.8
231.02878	25.2
232.03423	1.2
233.04433	1.3
235.02359	11.7
239.01929	1.6
241.01324	4.8
243.02875	0.9
245.00830	6.2
246.01546	0.9
247.02350	11.7
248.02911	1.0
249.03886	1.4
257.00809	9.7
258.01331	0.8
259.02380	37.1
260.02710	1.4
261.03970	2.1
262.01151	1.4
263.01892	3.9
273.00311	7.3
274.01010	5.4
275.01834	15.7
276.02533	8.0
277.03430	100.0
278.03745	3.0
285.00320	7.1
287.01807	2.1
289.03412	4.9
291.01328	2.8
300.99777	1.3
302.00455	1.3
303.01340	86.4
304.01721	3.0
305.02948	3.0
315.01505	0.9
319.00934	5.2
321.02255	1.9
331.00696	1.4
333.02304	8.2
351.03488	29.5
352.04034	1.3
421.04269	0.9
429.04572	1.1
447.05661	1.0
477.06445	7.3
797.08606	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	797.082
Annotation	Unknow
Peak:m/z	Relative Intensity
65.86040	0.6
68.99804	0.6
69.03079	1.0
69.03425	14.2
69.62328	4.8
69.62727	1.2
71.01334	1.0
74.03600	0.5
81.03411	30.9
83.01360	1.0
85.02891	4.2
89.03899	0.9
91.05466	1.7
97.02877	2.7
99.04462	1.9
101.02358	0.6
101.79554	0.6
103.05481	1.3
105.03358	1.4
107.04936	0.9
109.02872	16.1
119.04929	0.9
119.21056	0.7
127.03903	6.0
131.04921	1.6
133.02859	3.3
135.04401	0.9
141.74388	0.6
145.02870	1.3
146.03629	0.7
147.04384	2.0
153.10925	0.6
157.02843	2.1
159.04417	1.3
161.02371	3.5
162.03157	0.7
163.03880	5.6
165.01834	1.6
173.02345	3.7
174.03122	1.1
175.03896	3.6
177.01848	0.9
179.03384	1.3
181.97505	0.6
183.81206	0.6
185.02377	2.1
187.03894	6.4
189.01820	7.3
190.02553	1.1
191.03374	7.0
193.01385	1.0
201.01793	7.5
202.02560	0.9
203.03392	6.4
207.02866	4.6
213.01852	4.3
215.03369	5.5
217.01300	9.0
217.93259	0.7
218.02078	6.4
219.02901	7.0
221.00790	2.4
221.04410	1.1
229.01288	5.4
231.02859	23.8
232.03468	0.8
233.04332	1.3
235.02357	11.8
239.01852	2.0
241.01222	4.2
245.00774	6.6
246.01544	1.2
247.02364	11.5
249.03938	2.6
257.00787	8.9
258.01254	0.7
259.02359	37.5
260.02875	1.0
261.03970	1.2
262.00949	1.3
263.01849	5.0
273.00253	7.7
274.00955	3.4
275.01837	15.6
276.02579	7.4
277.03412	100.0
278.03784	2.4
285.00302	6.2
287.01886	1.4
288.02682	0.9
289.03470	4.2
291.01303	2.2
300.99695	2.5
302.00394	1.6
303.01328	82.8
304.01730	2.4
305.02847	3.4
315.01434	0.8
319.00806	4.7
321.02264	3.1
328.99185	0.8
331.00873	1.1
333.02353	7.7
351.03458	27.0
383.04050	0.8
411.03296	1.0
421.04056	0.9
425.93756	0.8
429.04572	1.5
445.03763	1.0
477.06659	7.1
616.23083	0.7
655.57629	0.8
797.08234	4.2
825.48309	0.7
829.59344	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	13.2
70.57729	2.0
70.58089	0.6
71.04969	0.5
79.45661	0.5
81.03413	28.7
83.01340	1.1
85.02875	2.0
89.03903	1.3
91.05430	1.1
97.02893	3.0
103.05454	1.0
105.03329	1.6
107.17736	0.5
109.02876	16.6
110.03616	0.6
117.03368	1.0
119.04903	0.6
127.03912	5.6
129.03384	0.8
131.04898	1.4
132.42499	0.5
133.02814	1.9
135.04424	0.6
141.09009	0.6
145.02789	1.1
147.04346	1.5
151.03859	0.6
157.02872	1.1
159.04356	1.0
160.45396	0.6
161.02289	3.2
162.03040	0.8
163.03874	4.3
165.01785	1.4
173.02312	3.0
174.02977	0.6
175.03888	3.1
177.01874	0.6
179.03346	1.7
185.02315	1.7
185.16760	0.5
187.03889	4.1
189.01819	8.0
190.02490	0.9
191.03418	5.1
201.01811	6.0
203.03355	4.9
207.02875	4.5
213.01837	4.1
215.03358	3.6
217.01295	11.3
218.02121	4.0
219.02876	6.9
221.00829	1.1
221.04369	1.4
229.01308	4.7
230.02042	0.6
231.02861	23.4
233.04463	1.0
235.00085	0.7
235.02376	10.5
241.01334	4.4
244.00154	0.6
245.00816	8.7
247.02353	9.8
249.04062	2.7
257.00778	7.5
258.01199	0.7
259.02368	32.1
260.02805	1.5
261.03955	1.3
262.01147	1.3
263.01862	4.9
273.00253	9.2
274.00916	1.0
275.01828	14.0
276.02606	6.5
277.03418	100.0
278.03873	2.9
285.00235	5.4
287.01834	1.6
289.03436	2.1
291.01309	3.5
300.99698	2.8
302.00409	1.2
303.01337	86.9
304.01605	2.8
305.02841	4.0
313.30417	0.6
315.01285	0.9
319.00818	5.7
321.02469	1.7
331.00845	1.2
333.02371	6.7
343.04227	0.7
349.01941	0.6
351.03439	28.0
352.03784	0.9
367.04407	0.8
388.82507	0.6
411.03342	0.8
421.04138	1.2
429.04520	1.0
445.03903	1.7
447.05612	0.8
459.05804	0.9
477.06671	6.5
477.13019	0.9
721.20361	0.7
733.96826	0.6
797.08453	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	797.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.3
67.05491	1.2
68.19753	1.1
69.03431	21.2
70.06586	1.0
71.04964	1.4
71.57182	1.8
77.03916	1.3
79.05511	1.2
81.03415	36.8
81.07036	1.2
85.02911	5.7
89.03899	2.1
91.05494	3.7
97.02877	4.9
99.04443	2.6
99.76842	1.0
103.05482	1.8
105.03404	1.2
107.04949	1.3
109.02882	22.6
111.04453	1.1
115.05367	1.0
118.44946	1.0
119.04901	1.3
127.03912	8.6
131.04913	2.1
133.02850	2.7
135.04396	1.7
137.02336	1.6
143.65643	1.2
145.02835	2.8
147.04416	3.0
153.01842	3.6
157.02872	2.1
161.02328	4.7
163.03857	6.4
165.01854	2.2
173.02342	4.4
174.03085	1.4
175.03915	4.4
177.05484	1.9
179.03400	2.7
184.07150	1.2
186.22116	1.4
187.03932	6.3
189.01787	12.3
190.02463	1.3
191.03371	8.7
193.01366	3.1
201.01813	10.9
203.03357	5.7
205.05025	1.6
207.02908	4.5
213.01782	3.6
215.03407	4.1
217.01335	28.9
218.01997	4.2
219.02931	9.0
221.00786	9.1
221.04381	2.4
229.01352	6.4
230.02110	1.2
231.02882	19.1
233.04442	1.1
234.01567	1.9
235.02344	9.5
239.01924	1.2
241.01317	4.1
245.00824	13.7
246.01456	2.2
247.02376	16.0
249.03931	6.9
257.00754	9.8
259.02377	31.2
261.03934	1.6
263.01883	15.6
263.04413	1.7
273.00320	22.6
274.00940	2.3
275.01846	18.1
276.02640	8.8
277.03424	100.0
278.03903	2.2
285.00070	7.3
287.01642	1.7
289.03381	4.3
291.01312	7.6
300.99844	1.9
303.01343	98.5
304.01846	3.0
305.02908	21.5
319.00775	12.7
321.02460	3.7
333.02515	5.7
337.01807	3.0
351.03448	13.3
445.04102	1.5
477.06598	5.3
491.56958	1.2
495.07745	2.2
797.08551	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	795.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
61.02930	5.6
67.05501	9.1
69.03425	2.9
69.07056	1.4
73.02906	3.4
79.05499	3.0
81.03416	2.6
81.07051	6.2
83.08646	0.9
85.02898	5.0
87.04466	1.5
91.03955	4.2
91.05471	1.8
93.07033	3.8
95.04922	1.1
95.08591	3.7
97.02875	4.5
98.34125	0.8
101.02382	2.1
105.07062	1.0
107.08596	1.5
109.10155	6.2
119.08609	0.9
121.10178	2.0
127.03921	1.8
133.10115	1.1
135.11787	0.9
137.52290	0.9
145.04945	1.0
151.12776	0.8
173.11655	1.0
184.07481	1.1
185.04118	1.0
229.29179	1.0
242.50642	0.9
243.08347	1.9
311.25369	1.0
335.25745	1.5
360.40607	0.9
413.17908	5.6
519.29199	7.7
560.96320	1.0
587.66284	1.0
691.40228	100.0
692.40271	2.7
749.44745	1.0
795.44073	6.5
796.44537	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	3.6
61.02913	7.2
64.14239	1.7
67.05495	8.2
69.03430	5.0
69.07056	4.7
69.85959	8.8
71.05009	2.5
73.02895	5.5
79.05482	6.9
81.03410	6.5
81.07056	10.3
83.08620	1.7
85.02892	11.9
91.03943	7.2
91.05469	6.9
93.07039	6.2
95.04931	2.2
95.08610	3.8
97.02890	8.4
98.07424	1.6
99.04464	2.1
101.02376	3.0
105.07027	4.4
107.08596	2.8
109.02905	1.9
121.10174	1.8
127.03948	2.8
129.06940	1.6
133.10121	2.9
135.11700	3.0
149.02292	3.4
149.13359	2.5
181.12358	1.7
184.07397	4.1
193.12099	2.7
200.20154	2.1
218.13007	1.6
243.08403	6.0
301.08978	5.1
330.81012	1.6
333.20410	2.1
373.10980	2.7
385.18356	4.4
429.17435	2.5
439.19534	7.3
444.47800	1.6
453.20905	5.5
469.20392	19.0
481.20544	1.9
541.22687	5.2
551.27881	4.1
583.31207	3.2
623.30701	2.2
625.31854	2.2
651.32733	2.0
667.32916	45.0
705.38068	2.0
709.33746	12.3
749.40802	6.3
777.40106	9.8
795.41681	100.0
796.41028	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	795.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
65.92089	0.9
67.05506	1.6
72.97202	0.9
76.15855	0.9
81.03392	1.0
81.07050	1.3
98.20649	1.7
106.61358	0.9
106.76299	0.9
175.72116	0.8
184.07451	1.9
184.27599	1.0
188.68376	1.0
229.95364	1.4
691.39868	4.4
795.42847	100.0
796.43268	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	795.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	3.0
67.05492	4.3
71.58064	1.5
73.48882	1.2
79.05515	2.8
81.07072	3.4
85.02895	1.3
86.09679	1.3
87.04481	2.2
93.07024	2.5
95.08620	2.4
97.02934	1.5
107.08612	1.6
109.10152	1.5
118.01550	1.2
119.08664	1.4
137.66299	1.3
145.43755	1.2
177.29253	1.3
184.07388	2.0
310.40097	1.4
316.02380	1.2
338.27789	1.5
372.09125	1.5
413.18066	1.5
519.29700	1.9
530.46704	1.3
691.40228	20.9
795.42828	100.0
796.43365	4.0
805.36951	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85526	0.8
56.96579	0.7
57.03439	2.6
61.02926	6.0
66.44738	0.9
67.05511	5.6
69.03437	3.0
69.07068	1.2
71.05012	1.7
71.58263	1.5
73.02911	4.0
79.05508	4.8
81.03407	4.4
81.07057	4.2
82.63344	0.8
83.08627	1.3
85.02919	5.5
86.09729	1.6
91.03989	2.9
91.05499	5.3
93.07037	5.9
95.04985	1.9
95.08631	2.5
97.02913	3.9
99.04495	0.9
101.02395	2.0
103.04001	1.1
105.07024	4.3
107.08641	2.3
109.02924	0.9
109.10154	1.3
119.08608	2.2
120.72494	0.8
121.06621	0.8
121.10162	2.2
125.00109	1.1
127.03969	1.6
133.10176	1.7
135.11647	0.9
145.10164	0.8
147.11703	1.1
149.09715	0.9
149.13257	1.0
165.21667	0.8
175.11185	1.0
181.11862	0.9
184.07336	6.5
185.04257	2.0
203.05379	1.1
243.08640	3.1
243.41121	0.9
267.16055	1.3
283.15027	3.9
293.05627	1.0
301.09134	2.1
339.18045	1.2
349.17004	0.9
365.31003	0.9
469.20679	1.5
501.23038	12.1
501.30188	1.1
535.28766	6.4
573.25964	1.7
628.84229	1.0
705.51892	0.9
709.31757	18.9
710.32684	1.4
749.40625	1.0
795.45117	100.0
796.45953	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	795.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05798	0.4
57.03436	3.3
57.31316	0.5
61.02924	5.2
67.05508	5.3
69.03427	3.4
69.07061	2.0
71.01385	0.7
71.04980	1.5
71.58278	0.8
73.02913	4.0
79.05488	5.1
81.03417	6.4
81.07060	5.7
83.04977	1.6
83.08617	1.7
85.02902	6.7
85.06537	0.6
86.09702	2.0
91.03971	3.3
91.05478	4.1
93.07036	4.1
95.04967	2.6
95.08615	1.7
95.83930	0.4
97.02886	4.7
97.06539	2.7
99.04475	1.1
101.02364	2.2
103.03934	0.5
105.07040	3.3
107.04987	1.2
107.08588	2.9
109.02893	1.1
109.06548	1.1
109.10143	1.4
111.08079	0.8
117.07042	1.1
119.08593	2.5
121.06500	0.9
121.10172	1.4
123.08076	0.8
125.00023	1.0
125.09655	0.8
127.03930	1.5
129.07008	1.1
131.08563	1.1
133.06421	0.5
133.10121	1.2
135.11713	1.0
137.05815	0.6
137.85341	0.4
143.08611	0.7
145.10138	0.9
147.08049	0.5
147.11725	1.5
149.13272	0.5
155.98936	0.4
157.10138	1.0
159.11665	0.7
161.13354	0.6
163.11230	0.8
184.07352	5.0
185.04131	0.6
185.07745	1.2
185.63255	0.5
186.31865	0.5
193.12276	1.3
203.05292	0.7
218.54059	0.4
241.57053	0.5
243.08501	2.1
249.25752	0.4
251.12514	1.0
255.16005	0.6
269.28268	0.6
285.17133	0.6
307.15314	0.6
349.19894	6.4
405.22891	0.9
435.27560	1.3
436.27905	1.7
439.19498	1.0
453.21408	0.5
467.18912	1.9
469.20438	7.4
567.27850	4.7
569.29333	1.5
697.33820	0.7
795.41333	100.0
796.41888	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	795.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.6
57.07072	1.6
61.02937	8.0
67.05503	5.0
67.26598	1.1
69.03432	5.9
69.07076	3.1
70.70918	1.1
70.71259	3.7
73.02934	5.6
73.46077	1.3
79.05487	7.1
81.03442	5.6
81.07050	5.5
83.01166	1.1
83.04992	1.9
83.08614	2.2
85.02899	11.7
86.09713	2.7
91.03950	6.4
91.05471	7.2
93.07061	3.8
95.04987	2.7
95.08611	2.7
97.02894	8.4
97.06550	2.0
99.04449	2.2
99.15112	1.2
101.02383	3.9
105.07060	3.3
107.04949	1.2
107.08570	3.1
109.02870	2.2
109.10143	1.9
111.08076	1.6
115.03951	2.0
119.08618	2.0
121.10177	1.8
123.08091	1.2
125.00021	1.8
125.09661	1.1
127.03927	3.0
129.05487	1.5
129.07018	1.4
130.82126	1.0
131.08569	2.5
133.10156	3.3
135.11714	2.5
147.11670	1.6
157.10149	1.7
166.58156	1.2
181.04802	2.4
184.07294	7.5
185.04289	5.2
193.12292	2.8
199.05791	1.9
201.03665	3.1
211.13528	2.5
221.11397	1.6
223.13377	1.6
241.06851	1.8
243.08438	7.6
251.12669	3.0
277.14316	2.8
301.08939	16.6
315.10590	4.1
333.20685	1.3
341.12473	1.5
349.16330	2.1
357.15320	1.8
367.17468	1.4
369.15216	1.3
371.17218	1.7
373.10724	6.3
383.16916	3.0
385.18362	12.5
387.12671	1.3
395.16925	1.6
413.18054	2.7
429.17874	1.9
439.19412	7.9
443.19006	4.6
453.20886	1.9
457.20425	1.4
469.20511	27.9
479.25894	1.7
481.20673	2.6
485.19992	4.3
499.21524	2.2
500.22086	1.2
511.21780	2.0
527.28595	1.3
528.21912	6.0
541.22485	8.8
551.28052	3.1
555.24622	1.4
567.27948	1.3
569.28680	1.4
583.30042	2.0
611.30457	5.1
612.31250	3.1
623.31403	1.3
625.32050	1.3
641.31250	7.4
665.35870	1.4
667.32996	29.3
691.34674	1.3
693.37622	2.1
709.34003	49.0
710.33698	1.6
724.51855	1.3
777.40393	8.1
795.41302	100.0
796.41595	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	793.397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	5.1
61.02929	12.1
62.52163	1.3
67.05187	1.8
67.05487	8.8
69.03419	7.4
69.07070	6.1
71.01339	1.4
73.02914	7.3
79.05512	7.7
79.92239	1.6
81.03410	5.2
81.07053	8.1
83.04971	3.0
83.08618	3.1
85.02899	14.3
86.09715	2.5
91.03934	7.4
91.05466	6.0
93.07053	9.1
95.01029	1.5
95.04971	2.7
95.08614	3.0
97.02896	10.3
97.10178	2.3
98.21529	2.9
99.04443	1.7
101.02386	3.7
105.07055	3.9
107.04960	2.4
107.08593	6.2
109.02850	2.0
109.06542	1.6
109.10164	5.8
109.18179	1.7
111.04347	1.6
117.07011	3.2
119.08579	4.1
119.19868	1.7
121.06440	1.5
121.10179	2.4
123.08060	2.0
125.05940	1.5
127.03934	2.8
129.05490	3.0
131.08600	3.4
133.10135	3.0
135.11693	3.8
139.89438	1.6
145.05052	1.7
145.10130	4.2
163.11232	2.9
181.04768	1.9
184.07269	8.2
185.04247	6.6
191.10725	1.8
199.05739	1.7
201.03780	3.4
204.32561	1.5
221.11684	1.8
223.13222	1.9
243.08434	10.5
249.11089	2.4
261.14688	2.2
283.15137	2.0
290.15836	1.5
301.08911	17.6
315.10550	4.7
319.15115	1.7
327.10635	3.1
331.18872	1.9
341.12177	1.6
350.07697	1.5
373.11191	6.8
383.16693	2.2
385.18393	12.7
411.20013	2.0
413.18063	2.3
429.17459	4.8
431.23978	2.5
439.19589	8.1
455.19089	3.2
457.20633	3.1
467.18799	26.0
469.20395	2.1
481.20627	5.1
497.19888	3.1
498.20444	3.6
513.26416	2.3
539.20740	9.2
549.26819	7.5
567.26288	1.9
581.29309	15.5
581.70825	1.7
609.28918	3.5
623.29858	3.9
635.30865	1.9
639.29968	8.9
665.31262	25.8
691.35736	3.0
707.32416	57.1
708.33740	3.6
747.38934	2.2
775.38190	5.4
776.38208	1.9
793.39795	100.0
794.40491	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	793.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.0
61.02927	4.6
67.05505	7.8
69.03432	5.4
69.07079	3.5
71.05002	2.2
72.16220	1.1
73.02908	3.6
73.16068	1.3
76.17048	1.1
79.05495	6.7
81.03423	5.7
81.07037	7.6
83.04987	3.0
83.08614	1.4
85.02912	5.6
86.09705	2.8
91.03967	2.5
91.05463	7.2
93.07037	6.4
95.05013	1.8
95.08612	4.0
97.02898	5.0
97.06573	1.6
101.02421	2.2
105.06987	5.9
107.04972	2.1
107.08595	4.0
109.06534	2.1
109.10176	3.6
119.08598	4.2
121.06499	1.6
121.10203	2.0
123.08061	1.4
127.03883	1.7
131.08600	3.6
133.10159	4.6
135.11742	1.8
147.11752	2.7
149.09674	2.3
157.10199	1.3
178.52414	1.2
184.07405	5.0
193.12224	1.8
243.08522	3.4
253.14323	1.4
256.50156	1.3
273.07773	1.3
283.15314	2.3
301.09207	1.9
315.19382	3.2
385.18167	1.6
455.19095	1.6
469.20676	3.3
501.23108	11.1
533.27295	7.3
539.21411	3.4
590.11798	1.3
639.56464	1.5
676.83099	1.5
775.38489	2.1
793.43390	100.0
794.43640	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	792.5613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05286	1.4
55.05508	11.9
57.03440	8.3
57.07056	3.1
61.02924	2.3
65.03930	2.7
67.05502	53.9
69.07065	13.2
71.07037	2.8
79.05487	35.3
81.07049	51.6
83.08613	6.7
85.02886	2.0
91.05476	21.6
93.07038	38.8
93.54765	1.2
95.04953	4.3
95.08604	44.8
97.06529	1.9
97.10156	3.3
99.08088	1.5
99.46191	1.3
105.07024	15.9
107.08586	18.7
109.10138	17.5
111.08095	1.3
117.07012	8.9
119.08572	13.7
121.10144	17.6
123.11678	6.2
131.08559	8.8
133.10110	12.1
135.11667	13.3
137.13243	2.4
143.08522	2.1
145.10060	6.5
147.11673	10.1
149.13211	6.9
159.11713	6.8
159.70761	1.3
161.13242	7.0
163.14821	5.2
171.11540	1.8
173.13272	7.8
175.14818	3.4
177.16341	1.8
185.13203	2.2
187.14841	3.8
199.14702	1.8
201.16402	1.5
225.51349	1.4
225.58041	1.3
241.19502	4.1
243.21109	5.7
245.18748	1.3
259.20432	7.3
261.22095	17.0
316.79263	1.4
317.24777	2.9
333.24127	4.6
335.25778	100.0
337.27319	11.8
506.69159	1.5
521.42804	2.2
558.31268	1.6
595.47205	14.2
613.48090	10.2
770.98138	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.3
57.03410	0.3
62.76753	0.2
63.02379	0.5
66.79522	0.2
69.03428	0.3
69.41728	2.2
79.01538	0.2
79.01863	2.0
79.05478	0.3
79.96553	0.2
80.30484	0.2
81.03419	1.1
81.07017	0.3
85.02891	0.3
89.03910	7.0
90.19945	0.3
91.05492	1.0
93.07043	0.4
95.04977	0.4
97.02901	0.8
103.05472	0.5
106.04188	0.4
107.01292	0.4
109.02878	0.6
117.03376	19.4
119.04934	0.4
124.05186	0.4
125.02370	0.8
127.03911	0.5
131.04950	0.3
134.03627	1.4
135.04434	1.8
137.05974	0.3
143.03397	3.6
145.02840	45.5
146.03181	0.5
149.04781	0.3
149.05975	6.7
149.07130	0.5
153.01823	34.4
154.02162	0.4
158.06023	0.3
161.05983	0.3
162.03061	0.2
163.03886	0.7
167.07082	0.5
177.05461	100.0
178.05844	1.6
180.51985	0.2
181.01440	0.2
181.04912	0.3
183.35124	0.2
186.05496	1.5
191.07056	0.3
259.01834	0.2
260.11597	0.2
303.01587	0.3
303.04980	4.3
321.09805	0.6
376.16238	0.2
448.79700	0.2
473.10751	5.0
491.12045	1.9
578.95435	0.2
711.90735	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	5.0
57.03431	4.1
67.05507	11.4
69.03431	2.2
69.07060	2.8
70.21314	8.7
71.04974	1.9
71.08635	1.8
71.54311	1.6
73.02908	2.6
79.05502	8.2
81.03426	6.0
81.07055	10.4
83.04962	2.2
83.08598	4.1
85.02911	3.0
86.09695	3.5
86.72440	1.6
89.06032	2.5
89.45457	1.5
91.05492	8.7
93.07049	5.9
94.07351	2.4
95.04987	3.1
95.08593	3.6
97.02900	2.3
97.06561	1.7
105.07037	5.4
107.08605	4.0
109.10154	2.8
119.08583	3.0
121.10140	2.9
129.05455	1.6
133.08673	1.7
133.10170	2.5
145.10147	1.8
147.11670	1.8
148.51866	1.6
149.01251	2.1
154.60988	1.6
180.90152	1.6
184.07344	8.0
185.07692	2.3
186.58371	1.6
193.12332	2.2
199.16992	6.7
211.13370	1.7
267.09177	1.7
269.10596	1.9
285.10129	4.3
301.09308	2.3
301.16348	2.3
353.36786	1.8
385.18460	1.9
401.49081	1.7
467.18948	2.1
501.16464	2.1
627.30414	2.0
707.32251	4.1
793.37708	100.0
794.37854	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	792.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	8.0
55.05505	30.9
57.03437	22.5
57.03670	3.6
61.02921	6.5
65.03935	6.3
67.05502	100.0
69.03421	11.2
69.06783	3.2
69.07068	33.5
70.11309	10.5
70.11703	8.1
71.04966	12.0
77.90370	4.1
79.05494	71.9
81.03416	89.9
81.07054	87.7
83.04978	26.4
83.08614	44.4
85.02909	36.5
85.06534	6.7
91.05479	70.5
93.07042	59.1
95.04964	43.9
95.08597	31.2
97.02866	5.4
97.06520	16.4
97.10153	14.4
98.20715	3.9
99.08123	5.7
105.07021	53.6
107.04959	18.0
107.08586	35.8
109.06519	17.4
109.10155	56.4
111.04421	5.1
111.08076	17.2
117.06979	11.2
117.34518	4.4
119.08569	41.7
121.06501	6.1
121.10147	21.9
123.08095	9.3
125.09663	9.5
129.06981	14.0
131.04889	4.4
131.08565	23.6
133.06447	6.9
133.10107	28.3
135.08067	8.4
135.11653	7.4
137.06000	8.2
137.09579	3.9
142.07800	6.7
143.08556	4.2
145.10127	12.6
147.08002	5.6
147.11670	30.4
147.71751	3.8
149.09602	14.2
149.13240	6.5
151.11108	4.7
153.01741	6.9
157.10110	19.3
159.11681	11.5
161.09642	3.5
163.11246	6.2
165.12715	8.5
167.07068	7.1
173.11742	12.2
175.11139	19.8
177.12852	4.9
178.76888	3.8
181.04846	4.9
184.07317	7.7
189.09262	4.0
189.11162	7.4
193.12230	48.7
195.13824	4.5
202.57550	3.6
203.17427	3.9
211.13286	76.1
227.12811	8.8
228.59651	4.5
229.14346	39.8
257.18994	4.2
267.15869	37.2
269.17398	25.8
275.20013	38.9
285.16974	67.6
293.21268	5.6
349.23730	20.8
367.24850	13.0
421.25742	14.1
432.24783	4.6
439.21097	7.2
439.26855	99.3
440.27133	5.3
443.27835	4.0
461.28964	29.4
479.29950	80.4
541.35382	23.1
559.36316	48.7
577.36945	16.8
583.31189	5.4
623.33820	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	791.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	11.0
57.03416	7.2
67.05521	33.1
69.03413	6.5
69.07061	10.8
69.32501	5.4
71.58273	11.7
73.61116	5.1
79.05463	26.8
81.03400	28.1
81.07027	18.0
83.04966	8.2
83.08602	9.0
83.61237	5.1
85.02889	10.6
86.09669	7.0
89.75292	5.9
91.05471	22.0
93.07037	20.6
94.06559	11.2
95.04942	12.1
95.08583	15.0
97.02873	8.4
97.06516	9.1
105.07018	20.2
107.04942	9.8
107.07331	10.9
107.08595	11.0
108.08067	7.2
109.06500	7.5
119.08536	13.8
121.10179	13.1
122.06028	19.2
122.09641	19.8
124.99987	11.0
125.09663	5.8
131.08583	6.4
133.10114	10.1
135.11656	7.8
136.07530	14.1
137.05920	6.4
147.11667	7.9
150.09128	91.0
153.01811	7.9
159.07803	5.4
163.11194	6.1
164.07076	6.9
166.08650	9.0
167.06973	6.7
175.14931	6.0
181.04846	9.5
183.72661	5.7
184.07353	23.3
189.46082	5.3
193.12289	8.1
211.08658	6.2
223.08786	13.1
223.12276	6.8
225.10248	15.6
235.08844	8.4
237.10236	14.4
237.13881	10.6
239.11850	23.5
240.12410	6.3
249.10216	17.4
250.11026	21.0
251.08157	9.5
251.11807	42.0
252.12442	6.5
253.09764	14.7
253.13313	14.8
263.11823	36.7
264.12558	12.7
265.09720	16.6
265.13342	45.4
267.11206	9.1
279.11322	25.1
280.11823	7.9
281.12799	21.9
283.10803	12.5
283.14975	5.9
285.12238	9.3
291.26468	6.2
293.12900	20.6
295.10843	8.6
299.13858	9.8
309.12302	85.2
311.13858	44.1
319.10794	8.4
321.12369	10.0
327.13361	63.5
337.11859	27.0
338.12570	11.7
339.13507	27.6
341.15012	11.6
369.14456	59.2
370.14963	6.1
371.15973	61.3
411.15219	6.2
413.16998	7.6
416.19415	10.9
432.19046	32.1
442.17770	7.5
448.18512	24.6
453.16364	7.0
460.18674	90.3
476.21716	48.7
480.21423	32.1
492.21323	100.0
576.35828	6.4
586.21967	7.0
597.27124	41.0
604.22589	6.0
624.25201	10.6
636.25018	10.9
791.39624	8.0
801.55725	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	790.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	11.9
55.05255	5.2
55.05509	46.1
55.49451	3.1
57.03429	17.7
57.07072	3.6
58.17565	3.7
59.05001	3.3
65.03931	7.2
67.05504	100.0
69.03426	11.5
69.07066	30.1
71.04993	22.4
73.02884	4.2
79.05064	5.9
79.05493	81.7
81.03418	53.2
81.07050	92.5
83.04978	14.8
83.08612	24.2
84.02127	3.2
85.02895	8.4
85.06550	6.5
86.09705	8.3
91.05476	75.7
92.05802	3.8
92.26042	3.2
93.07036	76.7
94.07388	4.2
95.04973	29.4
95.08596	44.6
97.02905	6.9
97.06534	11.7
97.10171	10.9
99.08133	5.4
100.44176	3.0
105.07023	65.3
107.04949	13.3
107.08601	44.2
109.06516	11.7
109.10136	21.9
109.77283	3.1
111.08077	7.0
117.07013	26.3
119.08587	45.4
121.06498	10.0
121.10128	27.4
123.08093	7.7
123.11732	5.5
125.09618	12.9
128.06219	4.7
129.06999	15.5
131.08559	37.9
133.10138	36.2
135.08064	7.9
135.11674	18.2
137.09610	6.9
141.07005	3.6
143.08557	15.3
145.10107	20.3
147.08138	4.9
147.11662	20.1
149.09648	10.4
149.13275	12.1
151.11221	7.0
155.08562	5.2
157.10152	21.8
159.07950	3.7
159.11713	15.0
161.09605	4.6
161.13284	10.0
163.11214	9.4
167.08553	4.1
169.10100	4.1
171.11649	8.8
173.09616	6.3
173.13280	7.1
175.11244	6.8
175.14832	3.5
177.12807	6.9
181.00319	3.1
181.10136	5.1
181.12242	5.1
183.11684	8.1
184.07349	15.2
185.13290	11.0
187.14897	4.4
189.11182	8.3
189.12718	3.6
193.10313	3.5
193.12161	8.1
195.11801	4.5
195.13719	4.2
197.13264	4.5
199.14851	5.7
209.11780	3.9
211.13210	4.3
227.12750	13.2
229.14313	4.8
241.19611	6.1
255.16000	3.5
259.20639	14.7
267.15863	16.2
269.17526	15.5
273.18463	6.0
275.20160	7.8
283.15390	7.4
284.15521	4.6
291.19382	5.2
299.23682	4.5
301.16647	3.7
301.19946	5.6
333.24173	10.0
349.23944	4.9
421.25769	4.9
422.06308	3.5
423.27258	6.3
426.01752	4.3
433.30759	8.2
435.27448	6.5
437.29181	5.7
451.31757	9.9
459.27081	4.8
469.33554	5.9
477.28351	12.0
495.29697	11.6
507.33768	4.1
515.38110	4.1
517.35132	7.3
525.35815	33.9
543.36780	78.6
557.38263	9.0
575.38928	13.4
791.40460	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	790.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.9
55.05510	30.4
57.03438	17.1
57.07068	3.6
58.93561	1.3
59.04992	1.8
61.02913	3.4
65.03929	4.4
67.05504	85.1
68.05819	1.9
69.03430	8.8
69.07069	28.2
71.04992	24.3
71.08625	2.1
71.32412	2.1
73.02920	3.2
79.05493	58.6
79.05969	2.8
81.03417	18.1
81.07056	100.0
82.07384	2.7
83.04986	14.0
83.08619	16.6
85.02892	6.9
85.06534	8.7
86.09704	2.6
91.03966	1.9
91.05481	55.9
92.05775	2.2
92.06334	1.6
93.07042	57.6
94.07349	1.8
95.04957	16.8
95.08608	33.3
97.02895	7.2
97.06527	15.7
97.10179	9.9
98.07309	1.7
99.08070	4.2
105.07027	46.0
107.04978	9.2
107.08589	38.0
109.02888	2.2
109.06523	6.8
109.10141	19.0
111.04415	1.8
111.08075	6.2
115.05486	2.4
116.04703	2.4
117.07012	19.7
119.08580	32.1
121.06512	5.8
121.10146	19.2
123.08027	6.7
123.11721	12.7
125.09658	10.6
127.03967	4.0
129.05513	8.5
129.07005	10.0
131.08563	23.4
132.68344	1.6
133.06491	1.8
133.10136	39.5
134.10466	2.5
135.08073	4.8
135.11690	13.7
137.09633	3.4
143.07065	2.7
143.08575	5.9
145.10120	16.4
147.08038	2.6
147.11700	16.8
149.09616	9.3
149.13263	12.9
151.10144	1.8
151.11172	8.5
155.08575	3.3
157.08720	3.5
157.10139	8.7
159.11690	11.2
161.13298	8.3
163.11186	8.5
165.12802	1.5
166.96811	1.5
169.10081	2.6
169.12215	2.1
171.10249	2.6
171.11717	4.9
173.04456	1.8
173.09688	1.5
173.11826	2.9
173.13272	5.6
175.11166	3.2
175.14737	1.5
177.12767	4.3
179.14348	2.8
181.12111	1.8
184.07367	5.6
185.13315	4.3
185.59604	1.4
187.11270	1.8
187.13341	4.2
189.11220	3.4
193.12262	3.3
195.13802	4.6
197.13350	1.8
197.17188	1.4
199.14838	2.8
200.14122	1.8
201.12827	1.5
225.14815	2.1
227.12753	10.7
239.17892	3.5
241.19495	4.6
243.15993	2.1
251.16463	1.8
253.14417	3.7
255.15852	2.0
257.19226	3.0
259.20529	11.1
267.15924	5.2
269.17416	18.3
275.20038	20.1
283.15283	3.5
285.16977	1.9
293.21063	5.2
301.16473	15.3
301.20154	11.7
315.23355	1.8
333.24216	6.6
349.23749	11.7
365.23343	1.9
423.27438	6.0
427.27460	1.5
437.29034	13.5
449.28928	13.5
451.30630	7.1
463.30426	11.0
477.27658	2.0
481.31824	3.5
495.33896	20.4
499.34128	2.6
517.35229	25.1
531.36639	4.8
542.35706	2.5
543.36523	14.3
559.36273	4.1
563.72113	1.9
575.39728	7.7
581.33392	1.7
593.37067	1.8
607.35101	2.6
791.36200	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.5
55.05511	40.9
56.89681	1.1
57.03435	21.0
57.07064	2.4
59.05001	37.9
61.02918	3.8
65.03938	5.2
66.45943	1.1
67.05503	100.0
69.03429	4.8
69.06725	1.6
69.07071	18.5
71.04996	12.2
71.08639	1.4
71.57305	1.4
79.05492	49.6
81.03412	5.2
81.07058	55.8
83.04973	5.6
83.08611	13.3
85.02909	8.1
85.06538	3.1
87.04468	57.3
91.05484	32.4
93.06476	2.3
93.07041	36.6
95.04971	9.5
95.08602	40.0
97.02881	4.3
97.06515	2.2
97.10171	17.9
99.04449	15.2
103.05465	1.5
105.07026	13.0
107.04958	2.7
107.08595	27.5
109.10156	59.5
109.14296	1.3
111.04436	2.1
111.08064	2.8
113.05978	1.5
117.07038	7.7
119.08583	16.6
121.10148	21.1
123.08054	1.4
123.11692	4.2
125.09619	15.3
129.07033	2.5
131.08577	8.4
133.10097	9.0
135.08026	1.4
135.11705	12.2
137.09622	4.7
143.08603	1.4
143.10687	2.1
145.10124	10.4
147.11679	5.4
149.13254	6.1
150.90344	1.5
151.16516	1.6
153.12726	1.5
155.10617	1.9
157.10110	2.6
159.11731	6.1
161.13202	3.2
163.11182	5.0
163.14801	3.2
169.72868	1.2
171.11690	2.6
173.11734	19.2
173.13274	7.0
175.14857	2.3
181.82108	1.4
183.11708	1.5
184.07346	1.5
185.13271	1.4
187.14828	3.0
189.11221	1.7
191.10715	2.6
193.12253	1.8
199.13297	10.2
201.16377	1.3
207.40034	1.5
209.11664	1.8
217.14391	2.3
223.13254	2.1
227.12787	6.2
227.20103	1.8
229.14336	44.0
229.16560	2.4
230.28363	1.7
241.14308	3.6
243.21045	4.4
257.13885	2.4
259.15436	1.6
259.20667	1.3
261.22116	12.5
267.15918	4.8
315.17981	7.3
317.24716	3.1
335.25803	64.0
347.95700	1.4
363.25238	4.6
477.35837	20.3
489.28851	2.6
489.35739	44.6
490.36047	1.9
517.35596	1.9
543.36896	1.8
561.37231	2.2
571.87347	1.5
575.39124	3.1
593.40533	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.4
55.05510	42.4
57.03436	20.8
57.07076	2.5
59.04998	28.3
61.02921	2.7
61.41927	0.9
61.89368	1.2
65.03937	3.2
67.05503	100.0
69.03431	6.3
69.07066	17.4
69.44630	9.5
71.01355	1.0
71.04989	15.5
71.08625	1.2
73.02905	1.2
75.04531	0.9
77.03963	1.0
78.36334	1.1
79.05491	51.3
81.03414	8.0
81.07053	64.0
83.04987	7.8
83.08611	15.8
85.02901	8.2
85.06538	3.8
86.09712	1.9
87.04465	44.2
89.06041	2.7
91.03966	1.8
91.05473	30.6
93.07045	41.0
95.04964	8.5
95.08605	40.5
97.02905	5.2
97.06530	4.4
97.10166	20.1
99.04450	25.1
101.06001	1.0
105.07034	16.3
107.04968	3.6
107.08590	26.4
109.06490	3.5
109.10153	55.1
111.04440	4.5
111.08073	4.8
115.03954	2.3
117.07026	5.4
119.08584	17.0
121.06484	2.4
121.10139	18.9
123.08059	3.3
123.11700	4.3
125.05962	1.5
125.09626	20.0
127.03916	1.2
129.05501	1.5
129.06999	3.3
131.08565	11.3
133.10095	7.7
135.08025	1.1
135.11703	13.2
136.72945	1.0
137.09651	3.4
139.11227	1.5
141.06966	1.3
143.08612	1.7
143.10707	2.8
145.10120	9.4
147.07985	1.3
147.11691	6.5
149.09645	2.7
149.13240	6.1
153.12744	2.2
155.08574	2.2
155.10712	1.3
157.10092	2.3
157.12195	1.4
157.85666	1.1
159.11667	5.1
161.13190	4.9
162.19342	1.0
163.11223	5.3
163.14830	2.1
165.12779	1.2
169.10150	1.6
171.11707	2.1
173.09723	2.2
173.11743	18.3
173.13275	6.9
175.11276	1.3
175.14790	2.2
181.12242	1.6
184.07318	5.2
187.14883	1.8
189.11214	1.5
191.10716	2.9
193.12199	1.5
199.13295	14.1
209.11722	2.2
217.14444	2.1
223.13254	1.7
225.14828	1.2
227.12776	8.9
227.20143	3.4
229.14334	37.4
229.16565	2.0
241.14407	6.2
241.19530	1.4
243.21118	3.5
257.13806	1.8
259.15256	1.3
259.20599	2.7
261.22137	11.7
267.15894	6.7
275.19992	1.9
277.18402	1.2
277.21521	2.2
315.17941	7.7
317.24622	1.5
333.24008	1.5
335.25778	59.3
336.26172	3.0
358.07205	1.2
363.25229	3.3
379.96985	1.0
459.34741	1.7
477.35748	20.6
489.35797	34.7
543.36829	2.1
561.37561	2.1
575.39154	2.3
593.40479	1.9
610.45862	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	7.3
55.05509	27.2
56.96566	2.4
57.03438	19.2
57.07057	4.2
59.04986	4.2
59.06764	2.3
61.02936	4.2
62.75576	2.4
67.05506	100.0
67.90850	2.3
69.07072	21.4
70.70069	8.7
71.04988	10.1
73.02894	2.8
74.01355	2.9
79.05492	42.4
81.03406	10.5
81.07054	68.7
83.04972	10.8
83.08618	17.8
85.02888	9.3
85.06535	7.0
86.09703	8.4
91.05485	24.5
91.32951	2.5
93.07045	55.3
95.04957	6.4
95.08617	22.8
97.06544	16.7
97.10163	10.1
105.07015	11.0
107.04939	3.4
107.08585	25.7
109.06530	4.6
109.10155	52.9
111.08077	6.8
111.52886	2.6
117.07030	6.5
119.08574	11.6
121.10118	12.7
124.99987	4.6
125.09628	11.7
131.08560	6.1
133.10133	7.5
135.11682	9.4
145.10147	5.0
149.13260	30.7
153.12804	3.1
159.11696	9.6
163.11163	7.2
173.11726	15.9
177.12770	6.9
184.07332	23.0
191.10556	3.6
195.13838	13.2
199.13220	5.6
209.11749	7.5
227.12747	8.8
229.14354	36.1
265.14304	3.7
267.08853	3.6
267.15930	7.3
269.17474	66.2
272.24088	3.0
283.15268	6.1
285.10083	8.5
297.54428	3.3
301.16449	10.2
324.11221	5.6
399.23593	12.8
423.27377	53.4
461.28717	3.1
477.28241	4.0
495.29474	9.8
520.04535	3.4
593.36865	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	12.2
55.05511	32.1
57.03439	22.0
57.07066	3.7
59.05005	3.5
61.02916	5.7
61.21674	1.2
65.03935	4.3
67.05504	87.7
68.05821	1.3
69.03432	9.5
69.07068	30.4
71.01357	1.6
71.04989	21.6
71.58660	1.5
73.02916	5.2
77.03922	1.7
79.05493	66.6
81.03414	22.4
81.07056	100.0
82.03725	1.3
82.04186	1.8
83.04976	14.3
83.08624	18.1
85.02903	10.9
85.06536	7.9
86.09694	2.7
87.04472	1.7
91.03929	2.4
91.05482	79.7
93.07041	67.2
93.07635	3.2
94.80323	1.2
95.04967	25.0
95.08612	34.2
97.02889	9.1
97.06522	14.4
97.10188	13.4
98.07319	1.9
99.04439	2.1
99.08097	6.1
103.05453	2.4
105.04498	1.5
105.07028	57.7
106.07357	3.2
106.60922	1.2
107.04961	11.0
107.08596	44.1
109.02854	2.3
109.06492	8.2
109.10158	19.5
111.04411	2.2
111.08070	9.5
115.05431	2.8
116.04688	5.6
117.07018	21.7
119.08578	36.0
121.06492	5.7
121.10152	19.9
123.08074	9.2
123.11681	9.4
125.09641	12.4
127.03905	4.3
128.06233	1.9
129.05504	15.1
129.06978	10.9
130.07806	1.8
131.04858	1.3
131.08554	22.6
133.06438	2.7
133.10127	42.1
134.10469	1.9
135.08058	7.1
135.11684	16.9
137.09645	5.0
139.11147	2.6
141.06963	2.2
142.07751	1.9
143.06999	3.5
143.08586	6.6
145.04852	2.0
145.06512	2.1
145.10135	19.2
147.08035	4.1
147.11694	20.9
149.09624	14.8
149.13263	13.4
151.11220	7.4
153.09087	1.6
153.12784	1.6
155.08585	3.3
157.08609	8.8
157.09998	10.4
159.08072	1.5
159.11710	17.9
161.13234	10.9
163.11136	9.7
165.12715	2.9
169.10190	2.5
171.06560	1.9
171.10298	1.7
171.11690	7.0
173.04494	1.9
173.09616	2.9
173.11841	2.2
173.13281	6.3
175.11208	3.7
175.14821	4.7
177.12779	4.7
179.14330	2.2
181.12186	1.5
183.11752	3.5
183.13737	1.7
184.07339	6.5
185.13275	4.7
187.13266	3.4
187.14813	2.5
189.11201	5.3
189.12666	3.1
193.12242	5.4
195.11859	1.3
195.13812	5.4
197.13280	1.5
199.13251	3.6
199.14867	2.7
201.12808	1.7
201.14879	1.5
209.11725	2.2
210.12506	1.6
211.13356	2.4
227.12752	10.3
229.14265	3.1
229.19695	1.9
231.21132	2.8
239.17982	2.9
241.19514	7.7
243.16075	1.6
253.14433	3.8
254.14639	2.6
255.15134	1.9
257.18958	5.6
259.20575	18.8
267.15875	7.3
268.16354	2.1
269.17465	13.8
273.18475	1.8
275.20071	21.7
276.20370	2.1
283.15479	3.2
285.16965	1.7
293.20856	2.1
301.16425	21.8
301.20081	11.2
313.21426	1.8
331.22592	2.6
333.24231	13.1
349.23721	11.6
423.27533	4.7
427.26736	2.4
435.43005	1.4
437.29123	10.1
449.28879	8.2
451.30817	4.0
463.30469	8.4
477.28107	2.8
481.31195	2.3
495.32843	11.2
517.35370	18.4
525.35773	2.1
531.36713	4.6
535.37012	1.4
541.34821	1.8
542.35516	3.6
543.36359	14.6
559.36212	4.2
561.37213	2.5
575.39685	7.0
577.37201	2.3
607.34259	2.0
639.36688	1.9
658.59833	1.5
791.35632	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	19.9
55.05264	2.8
55.05512	39.8
57.03432	26.4
57.07085	2.4
59.05001	4.0
61.02919	7.8
65.03949	6.0
67.05505	100.0
69.03424	14.9
69.07066	57.4
71.04990	9.6
73.02917	4.5
73.16479	1.6
79.05489	74.1
81.03415	79.1
81.07055	82.3
83.04988	29.6
83.08626	35.4
85.02890	31.0
85.03371	2.8
85.06538	5.3
91.05477	95.4
93.07043	64.5
93.07635	3.4
95.04964	47.2
95.08609	43.9
95.09620	1.8
97.02877	9.8
97.06514	20.1
97.10161	12.6
98.21539	4.4
99.04440	3.2
99.08099	5.7
100.93436	1.7
101.06052	1.8
103.05486	1.9
105.04543	3.8
105.07026	55.9
107.04956	23.0
107.08587	24.5
109.06512	10.6
109.10148	32.6
111.04436	3.5
111.08075	18.3
113.06034	3.7
115.05440	5.4
117.07013	15.1
119.04929	2.4
119.08577	44.2
121.06512	7.9
121.10146	22.5
123.04475	3.2
123.08047	10.8
123.11699	4.1
125.05982	2.3
125.09602	9.9
127.03957	4.8
127.07565	3.4
128.06236	3.2
129.05499	6.8
129.06996	14.7
131.08557	30.4
133.06526	5.2
133.10120	41.3
135.08109	4.5
135.11667	9.7
137.09593	16.2
138.01259	1.9
141.06998	2.8
142.07771	5.4
143.08618	5.4
145.10091	16.1
147.08104	6.4
147.11673	27.1
149.09607	26.9
149.13237	5.2
151.11172	4.5
153.09174	2.2
155.08470	2.0
157.10132	25.3
159.11714	12.2
161.09711	3.6
161.13254	6.7
163.11230	13.1
165.12740	4.5
171.10188	2.5
171.11766	3.9
173.09602	2.1
173.11749	8.9
173.13284	4.8
175.11174	20.5
177.12706	2.9
179.14333	5.3
184.07434	2.9
185.13338	2.9
187.11078	2.5
189.11177	3.0
193.12245	52.4
197.13216	2.2
199.13145	3.4
205.12251	2.7
211.13286	64.7
223.13293	2.0
227.12761	5.2
229.14310	9.1
229.43311	2.2
239.18037	4.2
247.20824	2.6
253.14423	3.0
255.15744	2.6
257.18954	10.1
267.15924	27.3
269.17490	3.1
273.18420	3.4
275.20032	35.8
285.16968	46.9
291.19580	7.3
293.21054	5.3
301.16464	7.2
349.23682	35.2
365.23257	2.8
381.22574	5.6
439.27161	10.5
447.27371	3.0
463.30551	5.3
495.29645	4.9
541.34943	12.6
558.21844	2.2
559.36420	25.7
575.35638	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	790.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	15.9
55.05511	37.5
57.03436	27.7
59.04987	5.6
61.02924	8.2
65.03938	3.9
67.05505	100.0
68.53996	3.3
69.03436	20.2
69.07068	47.3
71.04983	20.4
73.02923	6.4
79.05492	85.1
81.02982	5.1
81.03414	65.5
81.07055	99.7
83.01328	3.5
83.04984	29.1
83.08628	37.1
85.02905	23.0
85.06520	10.0
86.09712	12.3
91.05482	84.5
92.86252	3.5
93.07040	74.5
95.04974	45.6
95.08617	41.6
97.02879	10.0
97.06526	64.7
97.10168	11.3
98.21508	11.3
99.04443	5.1
99.08100	8.2
103.05477	3.9
105.07016	61.6
107.04939	22.6
107.08597	43.8
109.02864	5.2
109.06518	30.6
109.10155	32.6
111.04420	7.7
111.08064	20.4
113.05992	3.6
115.05416	6.0
115.07562	13.6
117.07023	29.1
119.08569	46.6
121.06510	11.7
121.10139	33.6
123.08055	14.0
123.11688	5.2
125.05994	5.0
125.09641	13.3
127.03976	5.1
127.07498	6.1
128.06218	5.9
129.06995	13.8
131.08566	42.5
133.06490	7.3
133.10127	35.0
135.08034	12.3
135.11688	20.0
137.09628	9.3
142.07771	6.0
143.08569	12.5
145.06557	4.0
145.10118	26.4
147.08020	10.9
147.11705	19.0
149.09599	15.8
149.13251	11.3
151.11180	6.4
153.12743	3.8
155.08575	4.8
157.10115	14.4
159.11694	13.4
161.09610	11.7
161.13174	4.4
163.11157	25.8
165.12740	7.1
171.11676	5.9
173.09595	6.0
173.11772	6.0
173.13194	3.9
175.11218	19.4
177.12798	7.3
184.07358	18.1
185.13287	3.6
189.11253	5.7
193.12222	38.3
195.13857	5.1
203.14339	4.1
208.64252	3.8
211.13255	49.4
217.15816	9.2
227.12721	18.1
229.14317	15.9
233.15396	4.4
257.18814	5.6
257.84476	3.6
267.15826	18.9
269.17480	26.9
273.18469	27.2
275.20078	19.4
283.15396	70.9
285.16928	45.8
291.19537	15.4
307.18991	7.2
323.32919	3.8
347.22128	10.4
349.23587	11.2
365.23315	11.1
367.24542	6.5
437.25415	43.1
459.27692	5.1
461.28757	7.7
465.28784	4.4
477.28421	64.6
479.29932	21.1
495.29117	5.3
517.31830	6.8
539.33752	8.7
557.34717	33.5
575.35614	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	790.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	15.6
55.05264	2.8
55.05508	36.0
57.03436	24.2
57.07065	3.3
61.02917	7.6
65.03932	4.8
67.05504	95.9
69.03440	11.0
69.07059	33.8
71.01337	7.1
71.04988	11.9
73.02898	5.5
76.96085	2.0
79.05491	85.1
81.03411	69.1
81.07053	100.0
83.04983	28.3
83.08612	34.2
85.02906	23.4
85.06538	7.7
86.09702	3.3
91.03944	3.1
91.05478	85.2
93.06479	4.6
93.07043	69.3
95.04962	44.7
95.08600	36.5
97.02891	11.9
97.06528	16.2
97.10166	11.1
98.20689	4.8
99.04454	4.0
99.08091	3.1
103.05521	2.6
105.07027	51.7
107.04950	20.2
107.08586	33.3
109.02871	3.5
109.06508	13.1
109.10166	15.9
111.04429	3.4
111.08075	15.7
115.05503	4.0
117.07013	15.3
119.04889	2.1
119.08582	35.4
121.06499	7.0
121.10146	20.8
123.08034	12.3
123.11657	7.6
124.99973	2.2
125.09638	8.2
127.03923	3.5
127.07564	2.7
128.06235	2.3
129.05466	9.4
129.06990	17.6
131.08572	27.8
133.06496	4.8
133.10124	39.6
135.08035	7.9
135.11696	21.9
137.09618	6.2
142.07765	4.0
143.08562	3.9
145.06364	2.0
145.10143	14.7
147.08020	6.8
147.11661	26.8
149.09601	14.4
149.13274	8.2
151.11194	5.7
153.12773	3.0
157.08853	3.5
157.10106	21.4
159.11703	6.1
161.09608	3.8
161.13348	2.6
163.11168	11.9
165.12810	5.5
166.14088	1.9
169.10080	3.7
171.11694	4.2
173.13188	2.6
175.11223	17.8
181.12198	3.6
184.07346	6.5
193.12238	47.9
195.13791	5.6
209.11754	3.1
211.13266	45.1
227.12732	5.1
229.14339	3.5
233.15500	2.1
243.15788	5.7
253.14343	6.4
255.15933	14.3
267.15918	30.1
268.16476	3.5
269.17462	17.1
273.18491	4.8
275.20041	11.9
283.15338	5.0
285.16956	30.1
291.19543	6.3
301.16440	11.1
349.23685	5.8
365.23569	2.2
423.27426	3.9
447.27493	3.5
453.28290	3.7
463.30930	10.5
465.28424	5.3
477.28036	2.3
479.29807	3.2
481.27573	4.2
495.29330	8.3
543.36646	2.7
557.34503	5.3
559.35864	2.6
790.59216	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	789.334
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.3
67.05505	2.1
69.03416	2.8
70.83243	1.4
70.83575	1.9
71.05003	1.1
78.08762	1.0
79.05486	4.2
80.05021	1.6
81.03404	4.4
81.07065	1.7
84.12076	1.1
85.02905	2.8
89.45607	0.9
91.05489	4.8
91.39740	0.9
93.05788	2.5
93.07038	4.2
94.06556	7.0
95.04960	2.5
95.07330	1.9
95.08627	1.0
96.08134	4.4
96.65690	1.1
97.02901	2.1
98.12885	1.0
103.05466	2.4
105.07058	2.1
106.06593	1.9
107.04964	1.7
107.07324	1.4
107.08566	1.5
108.08117	21.5
108.30341	0.8
109.02882	2.7
110.09689	6.8
116.04969	1.9
117.05746	1.3
118.06538	2.3
119.08478	1.1
120.04485	1.2
120.08096	9.9
121.06498	2.1
122.06016	9.8
122.09652	5.7
124.07601	2.6
127.03904	2.4
131.04900	2.2
131.08601	1.3
132.08092	1.6
134.06052	2.7
134.09666	1.1
136.07565	23.2
137.06015	2.4
138.05507	1.3
138.09120	10.1
144.04457	3.4
145.06493	1.9
145.10240	1.1
146.06026	5.3
148.07535	12.6
150.09190	5.8
152.07060	13.2
153.01802	5.8
154.50128	1.2
160.03967	2.3
160.07565	3.9
161.05981	2.2
162.05508	1.9
164.07034	9.4
166.08623	11.2
167.07021	5.8
172.03918	15.9
173.09579	1.3
174.05559	2.2
176.07019	1.8
181.04987	5.4
190.04970	5.8
191.07047	2.2
194.08122	1.9
197.10854	1.7
199.12352	1.2
202.08633	1.3
204.06560	25.3
210.11440	2.0
211.12364	4.0
222.07750	1.9
223.12228	2.6
224.13225	1.3
225.10283	4.7
225.13849	1.7
226.11011	4.0
227.11801	4.7
235.12346	1.5
236.09444	3.1
237.10179	5.9
237.13956	1.6
238.11031	4.6
239.11783	14.9
240.12584	3.0
241.13409	2.3
248.09294	2.1
249.10248	7.2
250.11067	5.0
251.11778	19.8
252.08803	1.1
252.12517	4.7
253.13335	5.7
255.11244	3.2
261.10254	1.4
263.09164	1.4
263.11789	14.3
264.09024	1.1
264.12564	3.1
265.09872	6.8
265.13309	9.4
266.10464	4.3
266.14139	3.6
267.11313	11.7
269.12885	2.9
271.14291	1.1
275.11780	1.6
277.09726	3.2
277.13382	1.5
278.10406	4.3
279.11243	24.2
280.12006	3.2
281.12854	8.4
283.10712	1.4
284.11584	1.5
285.12405	8.3
287.13654	1.1
291.11322	8.7
292.12009	1.5
293.09497	2.0
293.12796	9.7
295.10733	4.2
296.11401	2.1
297.12350	15.2
299.05453	3.3
299.13843	4.1
305.09271	1.4
307.10782	3.5
309.12219	4.7
310.12805	1.6
311.10281	1.9
311.13849	20.3
312.14395	1.1
313.11310	1.0
319.10757	7.3
321.12289	4.7
323.10452	5.2
323.13660	1.6
325.11679	4.1
327.13416	3.2
329.14987	1.1
337.11676	5.3
338.12784	1.3
339.13348	5.6
341.11066	1.2
341.15100	2.1
344.17542	1.4
351.13507	1.7
353.14975	2.8
354.16000	1.3
355.12961	12.5
355.16895	1.8
357.14505	1.4
358.15289	1.9
369.14362	3.2
379.12677	1.7
381.14844	1.4
383.15945	1.7
384.17172	1.7
385.12827	1.2
385.17590	1.3
386.18591	2.7
393.14047	1.4
399.15350	2.6
400.16437	4.2
402.18164	1.6
404.19965	1.7
411.15396	4.3
414.17981	2.0
418.21271	1.5
423.15399	1.5
426.17929	1.8
429.16455	3.6
430.17587	2.7
432.19138	1.9
435.15082	1.3
439.14825	3.4
441.16660	5.6
443.18552	1.5
446.20786	2.7
453.16376	5.6
459.17767	1.9
463.14847	2.0
465.16556	1.2
467.14319	1.9
469.16003	1.9
471.17578	8.1
472.18237	1.9
473.19449	1.2
481.15985	7.3
483.17712	1.4
566.24951	1.5
574.22131	1.6
578.24756	1.9
588.23639	1.4
590.25000	2.9
592.23083	2.6
593.23456	13.2
594.24506	10.0
604.22888	1.5
606.24384	8.8
616.22400	1.8
618.24243	3.9
620.22162	6.2
621.23163	3.8
622.23865	4.0
634.23895	49.2
635.24524	6.0
636.25446	3.7
648.25415	1.7
652.24811	2.5
666.26508	100.0
667.27289	7.3
693.29474	1.7
721.28668	2.0
729.30713	1.8
739.29651	5.1
741.37817	1.3
757.30731	25.0
789.31519	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77583	4.5
70.71299	13.9
91.05491	8.4
93.05746	7.0
93.07047	7.5
94.06551	14.9
95.04967	6.4
96.08123	10.6
97.02859	6.1
98.48914	4.6
103.05412	6.1
105.07031	6.2
108.04465	5.9
108.08115	33.1
110.09676	21.1
120.08131	35.6
122.06001	29.2
122.09635	9.0
124.07602	6.4
131.04985	6.0
136.07550	43.5
138.09129	32.2
146.05997	9.7
148.07561	20.4
150.09125	10.4
152.07040	13.9
153.05501	5.3
160.07483	6.2
164.07071	6.8
166.08632	32.9
167.07027	12.9
172.03908	13.4
172.07445	5.6
181.04919	6.5
190.04980	9.8
194.03773	5.3
194.08130	5.2
204.06569	12.0
211.12291	12.8
213.10115	8.7
223.12267	9.8
223.64650	6.1
225.10226	21.0
226.10980	7.1
227.11707	12.6
235.12378	6.9
237.10179	20.8
238.10994	13.2
239.11877	44.5
240.12616	15.7
249.10280	17.5
250.11031	17.6
251.11754	50.7
252.12561	18.9
252.41380	5.5
253.09621	8.0
253.13408	22.9
254.10410	5.7
255.11179	6.4
263.11813	41.9
264.12949	6.8
265.09717	12.4
265.13354	20.8
266.10648	10.0
266.13715	5.4
267.11334	37.0
268.11942	5.8
269.12708	6.4
277.13354	5.7
278.10562	13.1
279.11273	56.7
280.12030	10.5
281.12830	26.7
283.10867	6.0
285.12463	26.5
291.11319	21.7
292.12042	8.8
293.12802	21.4
296.11588	9.4
297.12238	28.7
299.13956	18.8
307.10568	8.4
309.12234	20.1
310.13107	8.5
311.13919	35.7
313.15698	7.4
319.10748	17.1
321.12170	18.0
323.13687	7.4
325.11664	10.2
327.13458	14.2
337.11841	12.5
339.13397	10.3
341.15042	14.2
344.17688	7.5
347.65848	8.3
351.21075	5.2
353.15036	9.4
355.12894	6.8
369.14230	11.6
371.16257	8.3
379.12665	6.4
388.16074	6.6
393.14502	8.6
403.19315	7.0
411.15524	11.2
414.18137	6.2
429.16531	17.9
432.18970	7.3
435.15472	8.1
439.14996	7.0
441.16516	13.9
446.20917	12.1
453.16495	18.8
455.17773	5.3
463.14771	6.7
469.16251	7.4
471.17685	25.3
474.20166	7.2
481.16223	28.7
483.17191	7.1
539.61578	5.9
562.21649	6.4
574.21503	9.5
586.22284	7.0
588.23297	8.6
592.23096	13.7
593.23633	44.4
594.24280	39.2
595.25134	9.4
604.22888	9.2
606.24323	58.7
616.22809	7.5
618.24359	19.7
620.22418	23.4
621.23035	19.4
622.23840	11.5
627.29907	6.0
634.13641	4.9
634.23755	100.0
635.24536	18.3
636.25055	16.5
666.26624	51.2
667.26855	20.5
693.29199	7.2
721.28168	9.9
725.31879	6.8
729.31171	6.3
739.29791	23.5
757.30731	88.2
789.29102	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	788.5427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35268	0.2
56.05021	0.5
58.06599	0.3
60.08160	6.2
71.07367	2.8
71.39464	0.2
72.13251	0.2
86.09702	27.5
98.20524	0.2
98.98463	2.6
104.10738	2.9
124.99999	18.2
143.01025	0.7
166.02562	0.2
184.07332	100.0
185.07642	0.3
276.43204	0.2
357.59103	0.2
690.46381	0.7
770.52979	0.5
788.54254	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	10.0
55.05503	32.5
55.29237	2.4
57.03430	23.8
60.51791	2.8
61.02919	3.9
65.03938	8.5
67.05501	98.9
68.05846	3.4
69.03425	7.7
69.07065	29.0
69.25906	5.1
69.26313	27.6
69.54082	2.7
69.64382	2.7
70.58938	2.7
71.04984	8.5
73.02912	2.9
77.38888	2.5
79.05487	68.2
79.72256	2.6
81.03413	100.0
81.07052	88.3
83.04982	11.0
83.08608	25.4
85.02914	7.6
85.06570	3.7
86.09711	5.2
87.00765	2.5
87.25805	2.4
91.05476	71.8
92.05803	3.7
93.07031	73.7
94.07349	3.8
95.04960	36.3
95.08601	59.2
97.02894	7.5
97.06533	11.4
97.10180	9.4
98.20775	4.9
105.04514	3.1
105.07021	48.1
106.07362	3.1
107.04957	10.6
107.08583	41.6
109.02914	3.9
109.06509	6.1
109.10154	31.7
111.08069	10.3
117.07047	17.4
119.08569	43.1
119.42863	2.9
120.08852	2.6
121.06501	6.7
121.10143	34.0
123.08080	8.0
123.11712	11.3
125.00026	5.7
125.09626	7.5
128.06180	3.8
129.07001	12.0
131.08563	31.1
133.06482	4.6
133.10130	29.1
135.08084	3.7
135.11673	18.3
137.09610	5.0
142.07816	3.8
143.08571	7.4
145.10126	14.3
147.08018	4.5
147.11688	19.0
149.09631	10.7
149.13300	10.5
151.11197	4.3
155.08464	3.5
157.10101	19.5
159.11665	14.5
161.09657	4.4
161.13297	5.0
163.11224	5.3
163.14922	6.4
163.33154	2.7
165.12669	4.3
169.10046	3.8
171.11572	3.4
173.13226	6.6
173.38687	2.9
175.11234	8.3
175.14804	3.4
179.08348	2.9
184.07347	23.8
185.13249	5.2
187.14732	5.2
189.11258	4.6
193.12270	28.6
211.13309	3.9
223.13445	3.4
227.12749	6.9
228.50734	3.0
235.13542	2.6
243.21159	9.2
249.18225	3.0
261.22083	22.9
265.14468	2.9
267.15906	99.2
275.20044	6.6
276.20486	5.3
277.27838	3.2
299.14868	3.6
303.44958	2.8
317.24780	3.4
331.17499	16.1
333.24075	4.6
335.25763	92.2
417.31604	3.4
435.27286	3.0
435.32742	5.1
453.33679	7.5
471.34656	5.8
489.35956	14.1
493.95013	2.9
527.37372	49.4
529.39117	4.8
545.38281	31.2
549.62305	3.0
591.38904	6.8
608.43610	10.2
626.44867	9.5
641.97888	2.9
792.07263	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	788.4768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	11.8
55.05509	22.8
57.03427	9.9
57.07060	2.6
59.04990	1.3
61.02921	3.8
65.03931	5.2
67.05501	52.8
69.03415	5.6
69.07063	22.1
71.04987	6.7
73.02918	1.8
77.03907	1.6
77.32182	1.2
79.05486	39.9
81.03414	45.3
81.07051	52.3
83.04980	13.3
83.08613	16.1
85.02895	5.6
85.06550	4.0
86.09708	2.5
91.05474	55.9
92.05804	1.4
93.07034	37.2
95.01336	4.0
95.04964	25.0
95.08600	25.8
95.09166	2.2
97.02910	4.3
97.06513	16.1
97.10172	5.9
98.21627	1.7
99.08083	3.6
103.05428	1.8
105.07022	54.6
107.04957	14.2
107.08585	24.7
109.02880	1.6
109.06519	8.1
109.10151	23.3
111.04425	1.9
111.08096	4.9
115.05466	2.4
117.07016	11.8
119.08571	29.8
119.09370	2.5
121.06484	4.7
121.10147	11.6
123.08058	5.2
123.11715	5.4
125.00015	1.7
125.09641	4.7
129.05472	4.6
129.06984	8.1
130.07788	1.7
131.08571	20.1
133.06502	4.6
133.10127	42.1
135.08040	4.0
135.11671	7.2
137.09630	3.0
139.07570	1.5
142.07784	1.6
143.06955	1.3
143.08566	3.7
145.06500	2.0
145.10086	11.8
147.08084	3.5
147.11687	13.7
149.09608	10.7
149.13272	2.8
151.11148	12.5
155.08548	3.2
157.08849	1.8
157.10112	9.9
159.08084	2.2
159.11655	8.6
161.09645	2.8
161.13298	4.2
163.11150	7.1
163.66684	1.3
165.09077	1.6
165.12759	2.7
169.10092	2.8
169.12318	2.2
171.11662	2.9
173.04417	1.7
173.13246	2.9
175.11208	7.3
177.12700	1.9
179.14325	5.9
181.12360	1.4
183.11707	2.4
184.07286	6.6
185.13335	1.8
189.11205	1.6
189.12817	1.7
193.12247	15.0
197.13335	2.5
201.12764	1.8
205.12170	2.2
209.11719	2.2
211.13280	8.0
219.17555	1.5
227.12804	2.7
229.19519	1.9
239.18173	1.6
247.20450	2.5
249.14766	2.0
253.14322	29.0
257.18915	6.3
267.15903	40.7
269.17401	2.6
273.18494	7.3
275.20041	31.0
283.15628	2.8
285.16827	8.2
291.19495	10.2
293.21176	3.6
297.33060	1.5
301.16571	6.4
347.22070	2.8
349.23715	30.9
365.23224	9.0
447.98093	1.4
461.28879	2.6
479.30127	4.3
486.26550	1.5
496.39359	1.4
497.27731	2.4
541.35217	100.0
542.35480	3.1
557.34460	1.7
559.36639	7.4
583.36401	2.1
591.34888	9.1
626.44525	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	9.2
55.05265	2.2
55.05510	28.4
56.47915	1.4
57.03439	19.7
57.07070	1.9
59.04996	9.3
65.03956	2.5
67.05505	43.9
69.03421	5.8
69.07062	10.5
71.01355	2.3
71.04996	8.2
73.02924	1.8
79.05061	2.9
79.05492	40.3
79.15681	1.7
81.03413	53.7
81.07056	46.1
83.01332	6.9
83.04973	21.9
83.08622	24.8
85.02905	20.4
85.06556	2.3
87.04455	6.8
89.95232	1.5
91.05476	36.9
93.07043	34.5
95.04965	25.3
95.08603	15.1
97.02902	5.7
97.06525	7.4
97.10170	10.9
99.04448	6.2
105.07033	26.1
107.04957	11.0
107.08583	19.7
108.08134	2.5
109.06519	10.6
109.10163	14.1
111.04472	8.7
111.08063	14.4
113.05988	1.8
115.05446	2.6
117.07002	9.3
119.08573	25.0
121.06529	4.7
121.10159	12.6
123.08099	7.7
125.05962	1.9
125.09640	11.0
129.07008	10.2
131.08566	14.9
133.06546	3.7
133.10120	12.1
135.01021	1.4
135.08083	5.5
135.11702	8.2
137.05948	2.2
137.09618	4.6
142.07800	3.3
143.08582	2.2
145.06505	2.8
145.10129	13.6
147.08058	5.6
147.11661	12.7
149.09625	8.7
153.01830	3.2
153.09120	2.1
153.12733	5.8
155.08522	2.6
157.10126	9.4
159.08081	6.0
163.11177	19.3
165.12749	2.0
166.37404	1.5
169.10138	1.7
173.09636	4.7
173.11774	3.7
175.11157	8.1
177.09142	1.8
181.12270	5.0
184.07280	2.1
189.11243	2.7
191.10657	1.7
193.12251	31.8
199.13226	2.4
209.11725	10.8
211.13303	43.1
225.94041	1.4
227.12839	11.4
229.14410	7.3
267.15894	19.7
271.16879	4.7
283.15387	26.8
285.16959	49.3
289.17957	14.9
307.18930	7.8
363.21866	4.3
371.16467	1.6
378.87775	1.8
381.22638	17.3
383.22421	2.1
457.25806	5.4
475.26941	20.9
493.27942	100.0
494.28323	3.7
555.32690	4.8
573.34149	15.4
591.35242	24.5
607.87250	1.8
633.22339	3.6
634.22681	3.5
635.23047	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	788.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	22.3
55.05512	46.7
57.03429	20.0
57.07076	4.2
59.04992	7.9
61.02924	7.3
65.03916	6.2
67.05501	100.0
69.03428	13.4
69.07064	54.0
70.64369	4.8
70.64778	5.0
71.01346	5.7
71.04997	16.0
73.02922	3.1
79.05490	68.8
81.03419	34.1
81.07052	87.2
81.07529	4.3
83.01329	12.5
83.04977	27.1
83.08624	27.6
85.02908	15.9
85.06544	8.8
91.00764	2.2
91.02731	2.2
91.03951	2.7
91.05477	71.9
91.06017	4.6
93.07040	82.5
95.04955	32.2
95.08601	49.8
95.09176	4.4
97.02886	12.7
97.06525	23.6
97.10170	11.6
99.04453	7.5
103.05460	4.4
105.07028	54.0
107.04945	21.2
107.08591	44.4
109.06531	13.1
109.10149	32.1
111.04460	6.2
111.08100	10.3
117.07014	25.3
119.08585	33.8
121.06483	11.5
121.10125	27.1
123.08095	21.8
123.11702	2.7
125.06008	3.7
125.09641	9.2
127.03934	5.8
129.05479	6.8
129.07001	11.8
130.07813	2.8
131.08551	23.0
133.06470	4.7
133.10121	34.6
135.08038	10.3
135.11690	29.6
137.09602	15.2
139.07555	2.3
143.08530	6.1
145.10109	33.0
147.08044	7.3
147.11658	11.9
149.09630	17.2
149.13260	4.3
151.11139	11.9
153.12784	7.4
155.08630	3.3
157.08717	2.4
157.10156	6.6
159.11670	7.1
161.09589	3.6
161.13252	4.8
163.11191	38.8
165.12825	2.8
169.10190	2.5
171.11774	3.3
173.09578	5.3
173.11719	6.8
173.13187	3.6
175.11206	4.4
177.12709	2.6
179.14296	3.5
181.12238	8.2
183.11617	4.3
189.11238	4.8
191.10657	5.5
193.12131	5.9
209.11685	14.2
209.13406	2.4
223.13229	6.1
227.12657	11.5
229.14438	3.7
243.15987	4.4
247.20793	3.2
253.14301	13.2
255.15785	3.4
257.19052	6.5
267.15912	5.3
273.18481	13.3
275.20029	26.9
278.59415	2.4
283.15396	82.6
283.18521	5.3
284.15872	5.0
285.17007	3.2
291.19620	24.7
293.21103	3.2
301.16461	7.0
331.22665	2.7
349.23752	28.5
365.23206	7.8
379.21069	7.4
437.25125	14.7
451.26764	5.8
461.29013	14.2
463.26904	7.6
475.26599	2.6
477.28732	4.3
557.34766	30.3
573.34564	2.9
575.35327	4.3
591.34991	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	788.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	25.0
55.05230	2.0
55.05511	38.3
56.59693	1.7
57.03444	25.0
57.07073	5.5
61.02922	6.6
65.03923	4.6
67.05503	98.4
68.02656	2.1
69.03430	12.8
69.07066	32.3
69.33947	3.3
69.34354	14.5
71.01345	1.8
71.05002	12.8
73.02911	6.1
73.06556	2.2
73.89360	1.6
79.05492	67.6
79.87563	2.1
80.13132	1.8
80.13603	1.6
81.02931	2.0
81.03419	53.7
81.06587	4.3
81.07058	87.4
82.04180	4.0
83.04982	27.0
83.08607	21.1
85.02911	11.4
85.06535	8.4
86.09694	2.4
91.03992	2.1
91.05479	86.9
91.76057	1.6
93.07044	61.2
95.01346	3.2
95.04971	38.5
95.08605	37.1
97.02899	8.7
97.06530	19.8
97.10175	10.7
98.07309	6.3
98.72121	1.6
99.04457	3.9
99.08074	3.7
103.05511	3.4
105.07030	90.1
107.04961	20.3
107.08592	54.0
109.02919	2.8
109.06527	14.0
109.10153	66.6
111.04454	3.9
111.08089	9.5
113.05977	3.8
115.05435	2.5
116.04715	8.0
117.07020	17.8
119.08585	31.4
119.57950	1.7
121.06511	8.7
121.10152	13.6
123.04483	2.0
123.08056	11.5
123.11710	9.7
125.09636	13.9
127.07557	4.2
127.11264	2.2
128.06224	2.3
129.05489	22.4
129.06985	12.9
131.08572	30.0
133.06465	9.1
133.10135	100.0
135.08084	12.7
135.10735	2.4
135.11609	10.0
137.09610	7.1
139.07530	3.6
143.07047	4.8
143.08542	9.2
145.06509	2.6
145.10109	14.3
147.08047	7.7
147.11684	17.2
149.09605	15.1
149.13290	3.3
151.11166	41.1
157.08588	7.1
157.10114	13.0
159.11699	4.9
161.09625	8.0
161.13255	3.2
163.11241	9.2
165.12694	2.0
169.10115	1.8
169.12222	9.2
171.06511	3.4
171.10168	2.3
171.11671	3.8
173.09631	3.1
173.11703	1.6
173.13248	2.6
174.10435	2.0
175.11169	9.9
177.09171	2.0
177.12718	3.2
179.10719	2.8
179.14326	2.0
181.12212	3.9
184.07359	11.4
185.13245	2.0
187.11244	3.2
187.14835	2.0
189.11234	5.0
189.12781	2.1
193.12209	12.6
197.08047	2.5
199.13289	6.7
200.13940	2.7
209.11691	2.6
211.13228	9.0
215.12715	2.5
227.12776	7.0
245.18948	4.2
251.12808	2.9
253.14346	82.5
254.14313	1.9
257.19028	2.8
263.20142	4.7
267.15912	40.6
271.15338	2.4
273.18509	18.5
275.20084	19.4
283.15436	4.6
285.16980	5.3
287.01953	2.0
291.19510	21.6
292.18991	8.3
293.21100	2.0
301.16473	50.5
309.20514	2.3
347.22171	6.2
349.23782	11.1
365.23245	21.8
448.90521	1.9
463.26520	2.9
479.30011	3.8
497.27432	22.7
541.35248	60.1
559.36316	3.7
573.33569	2.8
591.35211	26.1
626.06995	1.9
788.48920	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	787.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	10.1
55.05507	49.1
57.03439	11.7
58.43812	5.8
61.02919	8.0
66.55782	5.9
67.05503	88.4
69.03425	14.3
69.07052	22.3
69.48478	35.4
69.48884	13.1
71.04959	8.5
79.05498	74.7
81.03419	15.6
81.07059	89.0
83.08622	23.2
91.05481	83.3
93.07040	72.6
95.04959	17.8
95.08605	47.1
97.02852	9.2
97.06560	11.3
97.10168	12.7
99.12702	6.0
105.07024	68.3
107.04955	8.2
107.08604	29.6
109.06540	10.0
109.10152	20.7
115.05419	13.6
117.07013	48.4
119.08578	40.0
121.10123	22.1
128.06216	18.1
129.06992	21.6
130.07799	7.9
131.08566	60.2
133.06473	6.8
133.10133	33.0
135.08075	9.8
135.11671	12.6
141.06992	9.6
142.07787	8.2
143.08563	62.3
145.10110	65.2
147.08038	13.3
147.11650	15.4
149.09550	6.4
157.10126	27.7
159.08037	9.3
159.11678	13.5
161.09569	9.0
169.10063	7.7
171.11713	16.6
173.13165	7.2
181.10114	7.4
183.11696	8.7
195.11678	13.2
237.16377	9.6
255.17352	14.6
273.18454	54.8
335.25754	100.0
336.26221	7.6
347.22208	21.9
607.43433	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	47.5
55.68591	5.1
57.03436	13.4
57.07072	7.1
61.02917	11.7
66.91554	5.7
67.05501	85.6
69.07060	17.6
71.04970	7.2
73.30092	5.8
79.05134	6.7
79.05505	59.6
81.03411	8.7
81.07050	77.8
83.04964	13.2
83.08611	19.6
91.05482	95.4
93.07042	68.3
95.04964	26.2
95.08603	50.6
97.06535	8.4
97.10183	11.6
105.07033	64.6
107.04954	10.4
107.08564	31.8
109.06515	18.3
109.10153	19.8
115.05430	7.4
117.06995	49.9
119.08599	39.0
121.10141	17.6
125.09712	6.4
128.06250	28.1
129.07010	25.3
130.07788	9.3
131.08568	99.3
133.06480	12.8
133.10121	28.1
135.08051	9.6
135.11691	14.9
141.07001	16.5
142.07840	7.8
143.08553	92.7
145.06410	7.1
145.10133	100.0
147.08020	18.8
147.11684	12.9
148.12010	5.6
149.09621	12.4
155.08569	11.0
157.10127	22.4
159.11700	22.2
161.09598	24.6
161.13170	7.0
163.11185	6.2
169.10136	15.0
171.11685	22.2
173.09601	6.7
173.13287	7.2
175.11191	8.4
181.10075	14.1
183.11638	15.4
184.01973	6.0
184.07379	12.7
185.13179	7.9
188.17116	6.4
195.11699	16.3
201.65755	5.8
227.17871	8.6
237.16345	20.6
245.19125	13.2
255.17337	38.1
273.18506	86.6
291.19440	8.2
326.81824	6.2
335.25784	95.6
338.19485	6.0
347.22211	40.9
607.43457	47.0
608.43475	7.5
625.45074	7.6
645.88702	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	787.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	13.8
55.05520	25.5
56.05843	6.0
57.03434	18.4
57.07076	4.7
65.03922	5.8
67.05507	100.0
68.05831	10.1
69.03419	4.2
69.07075	30.3
69.94500	22.8
71.04996	7.6
79.05495	58.3
80.05886	5.1
81.03410	21.5
81.07059	66.7
82.07381	5.5
83.04982	9.1
83.08615	17.1
91.05478	58.0
93.07053	56.8
95.04961	16.2
95.08608	55.2
97.06535	21.7
97.10163	8.2
105.07033	50.4
107.04974	13.2
107.08607	28.1
109.06535	9.9
109.10148	48.3
110.10499	9.0
111.07993	4.7
117.07029	24.2
119.08587	34.9
121.06506	10.9
121.10138	18.6
123.11703	7.9
125.09719	7.1
128.63657	4.8
129.07010	8.1
131.08540	31.0
133.06514	5.7
133.10112	28.6
135.11719	15.4
137.09622	6.3
141.07014	4.8
141.64783	4.0
143.08591	7.2
145.10141	22.0
146.10585	4.9
147.11700	15.8
149.09592	5.3
149.13264	7.1
157.10126	10.9
159.11717	13.1
161.09589	4.1
161.13269	5.9
171.11710	6.8
173.11795	9.8
173.13234	8.9
174.11894	4.6
179.14366	9.7
185.13213	4.6
200.37354	4.8
223.13226	11.3
229.14363	33.6
230.14720	19.8
236.68884	4.9
241.19421	7.9
261.22195	8.5
262.22394	7.6
275.20139	28.0
282.93369	4.4
297.16962	17.5
298.17468	9.2
333.24307	12.4
333.51022	4.6
335.25916	34.2
336.26105	34.7
349.23831	14.2
360.61465	4.7
489.35818	8.3
490.35953	23.0
558.39081	10.7
607.43805	23.6
625.44507	19.7
787.49701	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	787.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	15.9
55.05294	4.3
55.05510	41.2
57.03444	17.6
57.07066	11.6
61.02923	18.4
64.58277	3.8
65.03925	10.1
67.05504	100.0
69.03423	25.8
69.07068	34.8
71.04980	9.1
73.02920	5.4
76.45236	3.2
79.05062	5.8
79.05492	67.5
79.05951	2.3
81.03415	47.7
81.07053	87.4
82.07379	4.1
83.04977	15.6
83.08630	23.1
85.02892	20.2
85.06551	5.5
87.04476	7.0
89.06024	7.7
91.03951	8.8
91.05473	75.4
93.07051	69.2
95.04967	21.4
95.08602	56.1
97.02899	20.8
97.06525	16.5
97.10159	12.9
98.20707	5.9
99.04452	7.0
99.08134	5.0
105.04565	4.1
105.07035	59.2
107.04958	9.4
107.08604	39.1
109.02880	7.9
109.06525	9.1
109.10151	26.9
111.04422	6.0
111.08076	7.0
115.05480	3.4
117.07021	27.5
119.08588	46.8
121.10144	26.9
123.08085	7.6
123.11713	7.7
124.38585	3.4
125.09629	14.1
127.03926	9.4
128.06233	10.0
129.07031	20.2
131.08571	48.5
133.08606	5.6
133.10135	31.7
135.08032	5.3
135.11690	16.6
137.09628	5.5
141.06990	6.5
142.07748	7.6
143.08537	23.9
145.10138	35.9
147.11697	24.7
149.02333	48.2
149.09584	10.1
149.13277	11.5
150.02673	9.0
151.11218	4.4
155.08516	11.3
157.10138	26.1
159.08076	5.4
159.11694	26.3
161.09610	3.5
161.13255	12.0
167.08534	8.3
169.10121	16.9
171.11659	17.4
173.04439	7.7
173.13252	16.1
175.11145	7.1
175.14842	6.6
181.10106	5.8
183.11671	15.7
184.07289	5.7
185.13284	14.0
187.14857	7.4
193.04942	42.1
193.12210	6.0
194.05275	12.7
195.11719	11.1
197.13280	11.0
199.14861	7.4
205.53026	3.8
207.11890	5.8
209.13263	9.0
211.14763	4.3
213.16420	4.3
221.13205	5.9
223.14795	6.6
227.12691	5.8
227.20065	82.2
228.20424	36.9
229.14349	4.5
229.68512	6.5
257.19028	5.9
259.20602	10.3
261.22220	11.2
263.20193	5.1
267.15918	19.2
273.18622	6.0
275.20035	12.8
291.19418	5.9
307.07465	3.9
318.69839	3.8
329.69580	3.5
333.24237	4.9
335.25851	22.2
376.24619	4.4
513.35809	19.6
515.37689	6.2
527.37213	19.3
533.39667	6.5
545.38361	6.3
551.40778	4.4
591.39178	4.3
607.43524	39.4
625.44629	70.0
626.44281	5.8
689.42639	5.3
769.48358	6.6
770.17450	10.3
787.48535	11.8
807.20233	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	18.7
55.05512	34.5
56.36865	4.2
57.03429	20.7
61.02924	5.8
64.58958	4.9
67.05500	100.0
69.03423	21.2
69.07059	33.7
71.04984	12.4
71.08637	7.8
71.58272	5.0
75.32586	4.6
77.26670	5.1
79.05490	66.4
81.03415	60.0
81.07047	87.7
83.04975	13.3
83.08614	23.2
85.02904	12.8
91.03922	6.7
91.05481	63.1
93.07041	76.8
95.04948	27.6
95.08600	55.5
97.02888	15.8
97.06522	19.6
97.10169	6.9
99.04435	7.5
99.08074	8.4
105.07025	61.1
107.04909	13.2
107.08593	40.1
109.02869	8.1
109.06495	10.9
109.10144	33.8
111.08052	7.4
112.51517	5.1
115.05450	8.1
117.07003	18.3
119.08578	45.5
121.06592	9.1
121.10139	33.4
123.04417	5.4
123.08071	10.2
123.11673	9.2
128.06262	7.3
129.07004	18.4
131.08560	42.7
133.06508	8.2
133.10133	32.2
135.08043	12.3
135.11685	22.0
143.08557	15.6
145.10126	24.3
147.08031	6.4
147.11636	29.9
149.13237	8.1
151.11151	6.4
155.08533	8.1
157.10172	15.4
159.11716	18.0
161.09647	5.1
161.13219	7.5
169.10072	12.1
171.11678	12.7
173.04442	8.1
173.11871	6.3
173.13258	13.5
173.59685	5.3
175.11317	5.1
175.14807	7.4
179.14244	9.0
183.11665	9.4
184.07317	7.2
185.13228	5.5
187.14839	8.9
192.84149	4.9
193.12238	6.4
197.13264	7.2
219.20163	6.0
223.14818	7.4
227.20009	7.5
239.17792	5.5
241.19472	9.3
257.19003	5.8
259.20627	9.1
267.15897	14.6
273.18512	12.1
275.20059	25.5
277.21671	5.7
333.24277	12.6
335.25790	38.2
349.23798	12.7
435.32944	6.5
521.45587	6.1
527.37457	28.3
545.38287	14.1
607.43665	24.7
625.44592	30.5
671.40692	6.6
751.45599	6.8
769.47119	6.1
787.45789	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	787.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22715	1.3
65.03963	1.4
67.05495	3.1
69.03409	1.8
71.15344	1.2
71.57453	1.1
79.05457	3.0
80.04993	1.9
81.03399	4.7
81.07056	2.9
85.02890	3.7
91.05468	3.1
93.05778	3.0
93.07020	4.5
94.06582	7.5
95.04971	3.4
95.08552	1.8
96.08112	3.0
97.02888	3.2
103.05453	1.9
105.07016	3.9
107.04930	1.6
107.07316	1.6
108.04459	3.3
108.05161	1.3
108.08105	12.3
109.02869	2.5
110.09665	5.0
116.04958	2.6
118.06541	2.1
120.04462	4.5
120.08104	10.3
122.06030	7.6
122.09666	3.2
124.07569	2.8
127.03904	2.0
132.04413	1.6
134.05965	2.7
134.96187	1.2
136.07613	11.6
137.05968	1.5
138.09140	7.4
143.03412	1.4
144.04459	2.9
145.06407	1.3
145.10095	1.7
146.05980	11.3
148.07587	8.4
150.09209	2.7
153.00664	2.1
153.01808	14.0
160.03877	2.2
162.05435	2.5
164.07085	2.0
166.08612	5.4
167.07080	2.8
172.03934	8.3
174.05533	3.4
177.05492	2.1
190.04951	9.7
197.10727	2.8
199.12314	2.4
204.06516	2.2
209.10776	2.7
210.09265	1.2
211.08519	2.0
212.09438	1.7
223.08640	2.1
223.12424	1.4
225.10234	9.0
226.11047	1.6
227.11790	14.2
236.09428	1.5
237.10193	5.1
239.11780	3.6
241.13411	2.0
243.11296	1.2
246.11191	1.3
247.02371	1.6
249.10274	2.7
250.10989	1.4
251.08186	1.3
251.11780	4.7
252.12614	1.3
253.09703	5.2
255.11282	3.5
257.12808	1.7
263.07993	1.7
263.11914	1.5
264.08783	2.1
265.09604	3.2
267.11273	5.5
269.12851	3.2
271.10706	3.4
273.12302	2.0
277.03217	1.6
277.09781	2.8
279.11258	8.1
281.12830	2.7
283.10663	2.7
284.11609	1.4
285.12311	3.2
287.05399	1.8
295.10931	2.3
297.12350	3.4
299.13943	1.8
301.12115	1.8
303.01566	1.7
307.10757	2.3
309.12415	1.4
313.12247	1.7
314.12958	2.7
315.13828	1.9
316.14392	2.4
317.15088	1.3
323.10226	1.7
325.12024	3.5
327.13693	2.3
328.10855	2.4
328.14392	3.0
329.11685	2.8
330.12451	1.9
330.16061	2.0
332.08313	1.3
337.11462	1.2
339.13635	1.9
340.14340	1.6
342.12314	7.8
342.15878	1.7
343.13080	5.2
344.17441	1.6
354.12195	1.5
354.16074	2.1
355.13480	2.4
356.13864	6.1
357.14645	2.1
358.15378	5.8
366.16183	1.6
366.53677	1.2
369.15320	1.7
370.15582	5.6
372.17459	2.3
382.11917	2.0
383.12317	1.6
384.12900	2.3
384.17487	1.5
385.13770	1.3
386.14801	2.9
394.15762	1.4
398.14932	15.6
399.15750	10.0
400.16364	3.5
405.29633	1.2
414.18091	2.5
416.15826	4.4
417.16452	2.0
422.14886	1.7
428.16031	2.4
429.16571	1.3
432.19135	1.6
440.16013	4.0
458.16998	2.3
470.18127	1.4
472.18268	1.5
548.20660	1.9
554.18793	1.6
555.76245	1.5
560.20325	7.8
566.18994	1.9
572.20251	3.7
584.20349	3.3
590.20935	4.8
593.23694	1.8
602.21448	11.5
673.26434	2.3
691.27478	2.9
701.25842	1.9
709.28369	3.3
711.29962	7.2
713.28174	12.9
719.26318	4.4
727.29718	6.4
737.28107	9.0
755.29126	100.0
756.28845	3.7
787.30841	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22715	1.3
65.03963	1.4
67.05495	3.1
69.03409	1.8
71.15344	1.2
71.57453	1.1
79.05457	3.0
80.04993	1.9
81.03399	4.7
81.07056	2.9
85.02890	3.7
91.05468	3.1
93.05778	3.0
93.07020	4.5
94.06582	7.5
95.04971	3.4
95.08552	1.8
96.08112	3.0
97.02888	3.2
103.05453	1.9
105.07016	3.9
107.04930	1.6
107.07316	1.6
108.04459	3.3
108.05161	1.3
108.08105	12.3
109.02869	2.5
110.09665	5.0
116.04958	2.6
118.06541	2.1
120.04462	4.5
120.08104	10.3
122.06030	7.6
122.09666	3.2
124.07569	2.8
127.03904	2.0
132.04413	1.6
134.05965	2.7
134.96187	1.2
136.07613	11.6
137.05968	1.5
138.09140	7.4
143.03412	1.4
144.04459	2.9
145.06407	1.3
145.10095	1.7
146.05980	11.3
148.07587	8.4
150.09209	2.7
153.00664	2.1
153.01808	14.0
160.03877	2.2
162.05435	2.5
164.07085	2.0
166.08612	5.4
167.07080	2.8
172.03934	8.3
174.05533	3.4
177.05492	2.1
190.04951	9.7
197.10727	2.8
199.12314	2.4
204.06516	2.2
209.10776	2.7
210.09265	1.2
211.08519	2.0
212.09438	1.7
223.08640	2.1
223.12424	1.4
225.10234	9.0
226.11047	1.6
227.11790	14.2
236.09428	1.5
237.10193	5.1
239.11780	3.6
241.13411	2.0
243.11296	1.2
246.11191	1.3
247.02371	1.6
249.10274	2.7
250.10989	1.4
251.08186	1.3
251.11780	4.7
252.12614	1.3
253.09703	5.2
255.11282	3.5
257.12808	1.7
263.07993	1.7
263.11914	1.5
264.08783	2.1
265.09604	3.2
267.11273	5.5
269.12851	3.2
271.10706	3.4
273.12302	2.0
277.03217	1.6
277.09781	2.8
279.11258	8.1
281.12830	2.7
283.10663	2.7
284.11609	1.4
285.12311	3.2
287.05399	1.8
295.10931	2.3
297.12350	3.4
299.13943	1.8
301.12115	1.8
303.01566	1.7
307.10757	2.3
309.12415	1.4
313.12247	1.7
314.12958	2.7
315.13828	1.9
316.14392	2.4
317.15088	1.3
323.10226	1.7
325.12024	3.5
327.13693	2.3
328.10855	2.4
328.14392	3.0
329.11685	2.8
330.12451	1.9
330.16061	2.0
332.08313	1.3
337.11462	1.2
339.13635	1.9
340.14340	1.6
342.12314	7.8
342.15878	1.7
343.13080	5.2
344.17441	1.6
354.12195	1.5
354.16074	2.1
355.13480	2.4
356.13864	6.1
357.14645	2.1
358.15378	5.8
366.16183	1.6
366.53677	1.2
369.15320	1.7
370.15582	5.6
372.17459	2.3
382.11917	2.0
383.12317	1.6
384.12900	2.3
384.17487	1.5
385.13770	1.3
386.14801	2.9
394.15762	1.4
398.14932	15.6
399.15750	10.0
400.16364	3.5
405.29633	1.2
414.18091	2.5
416.15826	4.4
417.16452	2.0
422.14886	1.7
428.16031	2.4
429.16571	1.3
432.19135	1.6
440.16013	4.0
458.16998	2.3
470.18127	1.4
472.18268	1.5
548.20660	1.9
554.18793	1.6
555.76245	1.5
560.20325	7.8
566.18994	1.9
572.20251	3.7
584.20349	3.3
590.20935	4.8
593.23694	1.8
602.21448	11.5
673.26434	2.3
691.27478	2.9
701.25842	1.9
709.28369	3.3
711.29962	7.2
713.28174	12.9
719.26318	4.4
727.29718	6.4
737.28107	9.0
755.29126	100.0
756.28845	3.7
787.30841	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.3
55.05486	2.2
60.03636	1.7
63.86170	2.3
64.71281	1.9
65.03925	2.2
67.05482	3.2
69.03441	3.4
70.70098	6.2
79.05484	4.7
81.03413	8.4
81.07041	3.6
85.02893	4.0
87.70703	2.2
91.05473	7.6
93.05793	2.6
93.07035	6.1
94.06566	7.1
95.04974	3.8
96.08122	3.1
97.02894	3.1
97.06505	2.2
103.05452	2.5
105.07036	4.7
106.06524	2.7
107.07300	2.2
107.08591	2.5
108.04438	2.3
108.08118	15.5
109.02885	3.1
110.09676	6.3
116.04884	2.1
120.04475	3.2
120.08091	9.1
122.06065	9.4
122.09669	3.1
124.07599	4.7
127.03879	4.0
134.06020	4.1
136.07579	16.7
137.05925	3.6
138.09137	8.6
144.04401	2.8
146.06020	10.3
147.04433	2.8
147.11685	2.1
148.07559	8.5
149.05972	2.4
150.09142	3.0
152.07129	2.1
153.01851	11.7
160.03978	2.5
162.05574	3.4
163.03867	3.3
164.07077	4.8
166.08621	8.0
167.07045	5.9
172.03926	7.0
174.05472	5.2
175.07497	2.0
177.05472	2.5
181.04982	2.6
190.05002	9.7
191.07080	2.0
196.09903	2.2
210.07828	1.9
225.10214	10.4
226.10997	3.1
227.11790	16.1
236.09404	2.7
237.10240	8.7
239.11862	4.9
249.10327	3.6
251.11774	5.8
253.09761	5.8
255.11208	4.0
263.11829	5.9
264.09021	4.1
265.09729	4.7
267.11322	5.3
269.12753	5.8
271.10806	7.2
275.11725	2.2
277.09818	2.4
279.11252	9.3
283.10730	2.8
285.12308	3.3
291.11404	2.3
295.10800	3.8
297.12265	2.7
299.14011	2.4
303.01410	2.4
307.10867	2.7
309.12210	2.4
311.14206	2.6
319.10754	2.4
325.11819	4.1
329.15100	2.2
330.16150	2.6
342.12265	7.9
342.16107	3.1
343.13138	7.3
354.16006	3.9
355.12814	2.8
356.13864	5.5
358.15524	6.4
370.15536	5.8
372.16846	3.1
382.11633	3.1
383.12390	2.6
384.13257	3.2
386.14713	2.9
394.15518	3.9
398.14978	12.5
399.15616	7.1
400.16583	2.9
403.16162	2.0
412.16269	4.3
416.16000	5.4
428.15945	2.7
440.15985	3.9
441.16028	2.7
458.17416	3.5
469.16248	2.8
471.17679	2.5
481.16180	2.5
523.22803	2.7
548.20294	2.2
554.19171	3.3
560.20184	8.9
572.20258	3.4
584.19849	4.0
590.21252	5.5
591.22217	2.7
593.23700	3.3
602.21130	12.7
620.21985	2.7
632.22327	4.3
653.26111	2.2
664.24591	5.8
673.26141	2.5
691.27289	2.6
701.26093	2.4
709.27875	2.8
711.29901	7.2
713.27869	12.9
719.26575	3.9
727.29144	7.8
737.28064	14.7
755.29205	100.0
756.29065	8.3
787.29419	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	787.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97038	1.3
68.50188	1.0
69.55544	9.7
79.05536	1.4
81.03411	2.3
81.07067	1.8
91.05451	1.7
93.05803	2.4
93.07049	1.6
94.06554	4.8
96.08146	1.8
108.08115	7.1
110.09680	2.6
111.32694	1.1
116.04932	1.6
118.38474	1.2
120.04487	3.3
120.08066	5.5
122.06023	5.5
122.09717	2.6
124.07595	1.3
134.05981	2.2
136.07590	7.5
138.09132	4.3
146.06029	8.3
148.07513	3.3
150.09132	2.5
160.03979	2.3
162.05536	2.2
166.08658	4.2
172.03944	5.1
172.07608	1.3
174.05482	1.8
178.04886	1.3
186.05406	1.4
188.07025	1.8
190.04970	6.7
197.10706	1.8
199.12373	2.5
204.06624	1.5
209.10645	1.6
211.08559	1.4
224.09290	1.4
225.10336	5.5
227.11838	10.6
237.10283	2.7
238.10962	1.6
239.11813	1.8
249.10220	1.6
251.11786	3.7
253.09744	2.5
255.11209	2.7
263.08109	1.2
264.08865	1.8
265.09869	2.0
267.11343	3.1
269.12872	4.1
271.10779	2.9
273.12207	1.4
279.11270	6.3
281.12830	1.3
285.12473	1.8
287.76862	1.1
295.10849	1.4
307.10840	1.9
313.13104	1.6
314.12842	2.1
316.14563	1.3
325.11975	2.8
326.13007	1.5
328.10583	2.3
328.14441	1.9
329.11612	2.2
339.13574	1.6
342.12268	5.1
342.15900	1.8
343.13104	2.9
344.13889	1.6
355.12943	2.1
356.13831	3.6
357.14307	1.7
358.15387	4.2
370.15485	2.1
380.13812	1.3
382.11591	2.2
385.13965	1.5
386.15265	2.3
388.16162	1.5
390.18390	1.7
394.15454	1.6
398.14941	8.8
399.15689	5.5
400.16812	1.6
411.15118	1.3
412.16278	1.7
416.15878	3.5
417.16605	2.7
428.15671	1.5
440.15994	2.8
458.17102	2.0
500.17914	1.5
548.18530	1.3
560.20447	6.4
572.19904	2.4
584.20630	2.3
590.21881	2.6
602.20874	7.5
653.25586	2.0
673.26349	2.2
709.28241	2.0
711.30432	5.9
713.28040	10.0
719.27173	4.3
727.29724	4.4
737.28009	7.8
755.29187	100.0
756.29205	3.4
787.31403	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	14.5
55.05511	22.0
57.03435	9.2
65.03934	4.6
67.05505	100.0
69.03433	7.2
69.07079	33.7
69.07392	5.7
71.04997	11.6
71.57469	4.6
71.57919	4.0
79.05490	71.1
81.03419	17.4
81.07056	59.7
81.81848	4.4
83.04966	15.4
83.08597	8.3
91.05476	57.1
93.07041	65.1
95.04949	24.4
95.08614	40.7
97.02873	5.7
97.06540	22.4
105.07018	47.4
107.04955	13.0
107.08601	26.9
109.06490	9.6
109.10172	23.9
110.18443	4.7
111.08101	5.3
117.07012	17.3
119.08587	32.8
121.06458	5.8
121.10125	12.3
123.08102	9.2
125.00024	4.5
125.09628	6.2
127.03970	5.3
127.06428	5.0
129.07018	15.1
131.08566	15.2
133.06456	4.4
133.10118	17.6
135.11691	7.0
137.09610	11.3
138.52673	4.1
143.08560	9.5
145.10132	15.7
147.11700	26.7
149.09572	10.5
155.14124	4.4
159.11687	11.2
161.09656	6.7
161.13264	15.2
163.11163	12.1
171.11671	20.4
173.11781	7.5
173.13286	6.5
175.14766	4.5
183.11559	4.6
184.07332	11.8
189.12720	6.4
207.13838	15.7
220.61647	5.0
227.12740	5.8
229.14316	8.6
257.19031	10.9
273.18643	5.6
275.20071	31.4
277.03275	7.5
281.17496	23.0
291.19598	7.6
303.01392	8.5
349.23618	24.2
435.27289	15.5
459.30798	6.3
555.36646	28.3
557.35535	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	787.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
65.03921	1.2
67.05500	1.1
69.03421	2.0
69.92760	0.8
73.02928	1.3
79.05494	2.4
80.04990	1.0
81.03426	2.4
81.07064	1.7
82.06583	1.3
85.02913	1.0
89.50235	0.8
91.05464	1.8
93.05786	2.2
93.07034	1.9
94.06570	6.9
95.04958	1.0
95.08672	1.0
96.08134	3.5
98.21563	1.3
103.05485	1.1
105.07047	0.9
106.06541	1.7
107.07334	2.0
108.04498	1.9
108.08121	11.8
109.02854	1.5
110.09701	4.6
112.77795	0.8
116.05007	1.2
118.06535	1.0
120.04470	3.6
120.08099	9.1
122.06037	5.0
122.09679	3.5
124.07595	2.5
127.03891	1.0
132.04413	0.9
132.08119	1.3
134.06001	2.0
136.07593	10.9
137.05937	1.1
138.09152	7.1
144.04457	3.3
146.06006	11.1
148.07590	5.5
150.09172	3.0
152.07036	1.0
153.01839	1.4
156.08084	1.0
158.09657	0.8
160.03963	1.6
160.07588	1.1
162.05498	2.8
164.07088	1.9
166.08690	5.3
167.07153	2.2
172.03928	10.6
172.07629	1.3
174.05511	4.2
176.07080	2.0
177.05470	1.1
182.09665	2.2
183.09190	1.4
184.09973	2.0
190.05037	7.6
197.10721	1.7
199.08731	0.9
199.12347	5.0
200.73413	0.9
204.06474	5.6
209.10741	1.3
211.08661	3.2
211.12224	1.6
212.09427	3.0
214.05247	0.9
223.08803	0.9
224.09401	1.2
225.10179	7.7
226.11044	2.2
227.11800	23.1
236.09482	1.8
237.10326	4.4
238.11093	1.5
239.11795	3.2
241.13391	1.8
249.10226	1.6
250.10976	1.6
251.08218	1.2
251.11803	5.5
253.09627	4.1
253.13419	1.1
255.11243	3.0
263.08124	2.9
263.11737	2.3
264.08878	2.2
265.09726	3.2
266.82245	0.8
267.11295	4.5
269.09851	0.8
269.12833	5.1
271.10745	3.9
272.78888	0.9
273.12387	2.8
277.09695	1.0
278.10510	1.3
279.11346	8.4
281.12848	2.1
283.10745	1.2
284.11630	1.3
285.12390	2.3
287.13855	2.4
291.11316	1.1
293.12717	1.1
295.10745	1.2
297.12317	6.2
299.13986	2.0
307.10767	2.6
311.14139	1.3
313.12244	1.7
314.12979	1.8
315.13919	1.6
316.14581	1.2
319.10852	1.0
321.12225	1.3
323.10220	0.9
325.11810	5.7
326.13049	0.9
327.13846	0.8
328.10745	2.0
328.14459	2.5
329.11481	1.6
329.15036	1.7
330.12347	1.2
330.15860	1.7
339.13486	1.8
340.14639	1.2
341.11215	1.6
342.12335	6.9
342.16101	2.3
343.13190	4.9
344.14017	1.8
352.14203	1.0
353.15152	1.0
354.12225	1.8
354.16214	1.2
355.13184	2.2
356.13898	5.7
357.14572	2.9
358.15515	6.1
366.16257	0.9
369.14719	1.0
370.15555	4.2
372.12830	1.0
372.17117	1.7
379.12991	0.9
380.13730	2.1
382.11731	2.3
382.15860	1.6
383.12512	1.7
384.13080	1.5
385.14053	1.3
386.14850	3.1
388.16687	1.5
394.15558	1.4
395.15811	2.4
398.15018	9.6
399.15729	6.1
400.16617	3.7
412.16495	2.7
413.16977	1.2
414.18423	2.0
416.16019	3.5
430.17984	1.2
431.18018	1.7
440.16095	2.8
441.16547	1.9
457.16089	1.0
458.17047	3.5
459.17706	1.1
460.18759	1.4
488.18427	2.1
500.17868	1.7
504.22006	1.1
522.22803	1.0
534.21851	1.0
548.19696	1.0
560.20532	5.0
566.20313	1.7
572.20105	1.8
584.20422	3.1
590.21179	3.1
593.23773	3.0
602.21234	9.3
653.25916	2.4
653.59821	1.0
664.25256	1.8
685.28003	0.9
687.31433	1.0
691.27545	2.1
701.25983	1.1
709.28558	3.4
711.30035	5.0
713.28302	8.0
719.26837	2.9
727.29462	5.3
737.28015	7.2
755.29175	100.0
756.29437	6.0
786.53461	1.3
787.32031	4.0
787.54535	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.2
55.05511	13.1
57.03442	5.6
61.02927	29.9
65.03932	3.6
65.11765	1.0
67.05504	29.8
68.96107	0.9
69.03435	11.0
69.07061	7.9
69.19729	1.0
71.04990	4.2
71.57909	1.2
71.58314	1.1
73.02916	6.9
79.05492	25.6
81.03415	12.4
81.06580	1.8
81.07053	28.2
83.04993	3.3
83.08613	8.7
85.02903	31.8
85.06532	3.4
87.04478	1.8
91.03951	14.2
91.04487	1.8
91.05478	33.2
93.07043	23.8
95.04984	8.9
95.08604	15.4
97.02892	21.4
97.06525	5.3
97.10189	2.8
99.04446	2.7
99.08092	1.3
101.02356	1.5
103.05459	3.6
105.07030	25.7
107.04939	4.9
107.08576	11.2
109.02884	3.9
109.06488	5.2
109.10178	6.9
111.08085	2.9
115.03903	1.4
115.05463	3.9
116.06251	1.1
117.07012	21.2
119.08566	13.4
119.09328	1.1
121.06492	6.2
121.10161	8.1
123.08064	4.0
125.09607	2.7
127.03897	7.4
128.06198	6.7
129.07007	25.0
131.04903	2.1
131.07594	1.9
131.08566	29.5
133.06485	4.8
133.10159	11.0
135.04414	1.0
135.08040	4.2
135.11691	3.5
137.05988	2.0
137.09589	3.2
141.06989	13.4
142.07747	2.1
143.08557	18.6
145.04970	6.2
145.06459	6.7
145.10118	14.0
147.04338	1.1
147.08047	4.7
147.11678	4.5
149.09630	4.4
149.13237	1.9
151.11194	1.2
153.01833	4.7
153.07008	2.4
154.07745	1.3
155.08563	16.5
156.09004	1.2
157.06494	2.2
157.10120	14.1
159.08063	4.7
159.11667	11.8
161.09621	4.5
161.13242	1.9
163.06035	3.9
163.07399	1.2
163.11203	3.3
165.06967	1.3
165.09077	1.8
165.12679	1.2
166.07870	1.3
167.07202	1.9
167.08530	8.4
168.09326	1.7
169.10106	12.0
171.08069	3.1
171.11641	7.7
173.09612	3.9
173.13284	2.8
175.11206	3.6
177.12721	3.0
178.07724	1.6
179.08568	3.8
181.10176	8.1
183.08075	1.5
183.11678	7.8
185.09634	3.7
185.11786	1.0
185.13219	6.1
187.11217	2.8
187.14839	1.9
189.12704	1.8
191.08609	2.0
192.09511	1.1
193.10167	4.0
193.12149	2.4
195.11708	10.0
197.09554	1.5
197.13187	6.2
199.11172	2.1
199.14883	2.3
201.12706	2.0
203.03362	1.2
203.14262	1.3
205.10233	1.9
207.11664	2.6
209.13341	5.5
211.11263	2.4
211.13126	2.3
211.14900	3.5
213.12782	2.9
215.14423	4.9
221.00938	1.7
221.13245	7.7
223.14841	4.8
225.12827	1.5
225.16298	2.5
225.32631	1.1
231.02960	2.5
233.13239	1.7
235.14874	5.3
239.14273	4.8
239.17955	2.2
241.15868	2.1
247.02301	1.3
249.16414	2.7
253.16026	2.4
257.15329	3.9
259.02502	2.6
259.17047	1.4
271.16904	3.9
275.02005	2.1
277.03445	8.3
278.03696	2.1
285.18420	2.2
303.01492	3.6
303.19409	1.3
304.01663	1.4
315.21198	1.7
323.23685	4.6
333.22092	12.3
341.24716	6.0
351.23175	34.2
352.23575	1.9
359.25885	1.6
369.24258	24.0
387.25409	12.7
407.25732	1.6
415.28345	2.2
425.26932	8.2
433.29269	1.5
443.27930	100.0
444.28351	3.6
461.28964	59.0
462.29227	2.6
485.28970	2.0
503.29785	1.8
531.29401	1.2
543.93811	1.3
551.29980	1.5
569.30420	1.4
587.32092	3.1
605.33282	2.8
623.33838	4.7
720.72278	1.1
748.55457	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
55.05509	1.8
57.03432	1.7
57.07072	0.6
58.49208	0.4
61.02919	1.7
65.03925	1.0
67.05503	5.2
69.03428	4.9
69.07059	1.4
71.01381	0.5
71.04990	1.3
71.90601	0.4
73.02920	0.8
74.37828	0.5
79.05479	4.1
79.36258	0.4
81.03411	8.9
81.07053	6.0
83.04979	2.2
83.08639	1.3
85.02894	3.6
87.04434	0.5
89.46655	0.4
91.03946	0.8
91.05483	4.5
93.05777	1.3
93.07041	3.8
94.06586	1.8
95.04976	2.2
95.05494	0.4
95.08608	2.0
97.02894	3.5
97.06537	1.0
99.04453	1.4
103.05483	0.5
105.07008	3.4
107.04917	1.2
107.08597	2.5
108.08113	8.1
109.02865	2.6
109.06515	1.0
109.10161	1.1
111.04431	1.2
117.07034	1.4
119.08572	1.7
120.08076	0.8
121.06485	0.5
121.10143	1.2
122.06045	2.1
123.08004	0.6
123.11694	0.5
127.03925	2.9
129.06972	0.8
130.07774	0.5
131.08563	2.1
133.10135	1.4
135.08041	0.9
135.11702	0.7
136.07568	14.8
137.06021	0.5
145.06419	0.8
145.10074	0.9
147.04350	0.6
147.11685	2.0
148.07584	1.4
150.09138	0.6
153.01849	1.1
157.10153	0.6
159.11658	0.9
163.11179	0.7
164.07103	2.4
173.04523	0.8
175.11171	0.7
177.12900	0.6
189.11217	0.6
191.10716	0.6
193.12189	2.5
195.13837	0.8
211.13354	2.8
221.00861	0.7
221.10692	0.6
223.08722	0.6
223.12433	0.8
227.08173	1.0
230.01465	0.5
231.02936	0.9
235.08876	0.5
235.12349	0.6
236.09534	1.3
237.10321	1.7
238.11018	0.9
239.11876	0.9
247.02415	0.6
249.04065	0.5
249.10226	3.8
250.11031	1.6
251.08142	0.9
251.11804	3.7
253.09737	1.1
253.13448	0.9
256.83078	0.5
259.02368	0.7
261.10236	1.7
262.11041	1.9
263.08182	0.5
263.08731	0.6
263.11783	5.8
264.12701	1.0
265.09741	2.5
265.13382	0.8
267.11185	0.8
267.15952	1.1
269.09186	0.7
269.17459	1.2
273.14807	0.5
275.11774	0.8
276.08984	0.5
277.03516	2.9
277.09711	3.8
278.10498	1.6
279.11261	6.3
279.14001	0.7
281.12897	1.0
283.10803	1.1
285.17078	0.9
287.11792	0.8
289.09729	1.2
290.10449	1.2
291.11237	11.3
292.12106	1.6
293.12848	1.9
295.10733	3.3
297.12708	0.7
298.13144	0.7
299.14484	0.6
303.01443	2.1
303.11407	0.6
304.01755	0.5
305.09351	0.7
307.10800	2.0
308.11340	0.6
309.12405	1.3
311.14075	0.6
317.09311	0.7
319.10849	3.0
319.14093	0.5
321.12280	0.6
324.15109	0.6
325.12204	2.0
326.12988	1.2
327.13748	0.7
328.14496	0.9
331.10803	0.7
335.10327	0.7
337.12003	1.7
337.15973	0.5
338.12994	1.7
339.13742	2.1
340.14517	5.1
340.18182	0.6
341.15222	1.3
342.16006	1.8
351.13818	0.7
352.14532	1.5
353.11432	0.8
353.15292	1.3
354.12363	1.8
354.16077	2.6
355.13171	1.7
355.17004	0.9
356.13815	1.3
356.17725	1.1
365.15384	1.0
366.12424	1.8
366.16400	1.1
367.13019	2.5
368.13788	5.2
368.17044	0.7
369.14795	1.5
370.15555	2.0
371.16379	0.5
372.17197	1.1
379.13266	0.9
380.13916	3.3
381.14914	2.3
382.11414	0.9
382.15530	5.3
383.12253	0.6
383.16559	1.1
384.12915	0.9
384.13812	0.6
384.17307	3.3
386.18668	0.8
394.15622	1.5
395.16672	0.9
396.12546	2.6
396.17966	2.4
397.14227	2.1
398.14810	1.6
398.18988	1.2
400.16742	1.9
402.18127	0.6
408.13257	0.9
409.14282	1.5
410.14896	4.5
411.15628	1.8
412.16559	4.2
413.17484	0.7
414.18158	1.8
422.14893	1.1
424.16827	3.4
425.17410	0.9
426.18265	1.6
428.15808	3.2
430.17627	0.7
438.14075	0.8
440.16064	1.1
442.17798	4.2
443.27536	0.9
444.19235	0.8
446.17084	2.5
449.13730	0.7
452.16040	1.2
456.15237	0.9
458.16595	0.6
461.28940	3.7
463.14896	0.7
468.15640	1.1
469.16165	0.9
470.17151	5.7
471.17572	0.6
479.29834	1.3
484.18735	0.6
488.17960	1.6
496.14355	0.7
497.15817	0.7
530.18726	0.7
556.17365	0.8
602.21301	1.4
603.21997	0.7
604.22858	2.2
605.33270	0.9
612.19452	1.5
614.21490	0.9
616.19373	0.8
623.34448	1.6
630.20905	11.6
631.21582	26.3
632.22339	100.0
633.22742	6.6
662.23077	2.6
663.24890	0.6
717.25323	0.6
735.26123	0.8
753.27240	5.4
767.39221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
56.07442	0.1
61.43329	0.2
67.74097	0.1
68.99763	0.2
69.03408	0.5
71.02081	0.2
71.02445	0.5
76.61363	0.1
79.01849	7.8
80.06413	0.2
81.03413	2.8
83.01325	0.2
85.02901	0.3
97.02878	1.8
107.01319	1.8
107.04882	0.2
108.60107	0.2
109.02870	2.8
123.00803	0.4
125.02336	4.8
125.43781	0.2
127.03909	2.3
143.03384	10.2
147.04391	0.2
153.01820	100.0
153.02820	4.2
154.02170	1.0
159.35925	0.2
163.03928	0.7
165.01762	0.2
169.01320	0.7
173.02266	0.2
179.03462	0.2
181.01337	0.3
187.03790	0.2
189.01794	0.3
191.03389	0.6
195.02650	0.2
197.58026	0.2
203.03342	0.2
205.04939	0.2
207.02814	0.2
217.01335	0.7
219.02872	0.5
221.00943	0.3
231.02895	0.4
233.04408	0.5
235.02356	0.5
245.00880	0.5
247.02441	0.5
253.63594	0.2
258.01443	0.2
259.02274	0.3
261.03909	1.1
263.01941	0.2
273.00253	0.7
275.01785	0.7
277.03403	0.7
279.04990	1.6
287.05499	0.3
297.79013	0.2
300.99933	0.3
303.01358	0.7
303.04865	0.3
319.00809	0.3
337.01883	2.9
346.99731	0.2
403.03317	0.3
445.03870	0.6
463.05286	0.3
729.41473	0.2
785.08032	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.3
69.03416	0.9
70.06568	0.1
71.18336	0.2
79.01849	7.7
79.05487	0.2
81.03414	3.6
85.02896	0.3
87.00834	0.1
91.05450	0.1
95.01307	0.2
97.02888	1.8
98.61320	0.1
99.04439	0.2
105.07024	0.1
107.01305	1.7
107.04993	0.1
109.02873	2.7
117.03405	0.1
119.50977	0.1
123.00730	0.2
123.04378	0.1
124.03958	0.1
125.02341	4.3
127.03911	2.7
131.04939	0.2
133.02856	0.2
137.02293	0.1
143.03387	10.1
145.02859	0.1
147.04401	0.2
148.27838	0.1
153.01819	100.0
153.02808	4.1
154.02130	1.2
154.03300	0.1
159.04382	0.2
161.02385	0.2
161.05949	0.1
163.03897	0.8
165.01880	0.2
173.02428	0.2
177.01807	0.1
179.03404	0.2
181.01338	0.3
187.03957	0.2
189.01913	0.5
191.03401	0.7
193.08513	0.1
201.01891	0.2
203.03366	0.4
205.04962	0.2
207.02921	0.6
215.03450	0.2
217.01347	0.7
217.04948	0.1
219.02878	0.9
221.00749	0.6
221.04355	0.1
229.01277	0.3
231.02914	0.4
233.04439	0.4
235.02316	0.8
243.02859	0.1
245.00801	0.6
247.02443	0.6
249.03706	0.1
257.00842	0.3
259.02319	0.8
261.03903	1.0
263.01883	0.4
273.00360	0.6
275.01859	0.8
276.02695	0.2
277.03406	1.6
278.03653	0.3
279.05011	1.9
287.05652	0.1
300.99670	0.3
303.01370	1.6
303.04782	0.3
304.01584	0.2
305.01944	0.3
319.00800	0.3
319.04306	0.1
321.02298	0.3
337.01877	2.6
338.02115	0.2
339.03036	0.3
403.02853	0.3
445.04047	0.4
463.05255	0.2
652.02911	0.1
785.08398	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.2
56.54937	1.0
57.03438	1.2
63.90353	1.0
69.03424	17.7
70.15059	3.9
71.01353	1.1
71.04996	1.7
79.05530	1.0
81.03413	43.7
82.03765	1.0
85.02908	4.2
91.05485	2.4
94.87431	1.0
95.01314	1.0
95.63750	1.0
97.02889	4.4
99.04443	2.5
103.05462	2.9
109.02879	21.0
119.04910	1.8
127.03919	9.3
131.04912	4.0
145.02859	1.3
147.04414	13.2
153.01849	7.0
157.02853	2.8
159.04417	3.6
163.03940	5.0
165.01842	3.2
173.02391	3.6
175.03900	13.5
177.01886	1.4
177.05476	2.2
179.03397	1.2
185.02315	2.0
187.03949	4.9
190.02318	1.4
191.03413	10.1
193.01347	8.1
193.04951	2.7
201.01787	4.9
202.02539	1.2
203.03389	26.3
205.04994	2.8
207.02837	2.8
213.01888	3.2
215.03401	3.7
217.01321	1.5
219.02885	12.5
221.00813	20.1
221.04422	13.7
229.01279	5.2
230.01813	1.2
231.02873	32.7
232.03108	1.7
233.00880	2.2
235.02390	2.5
241.01303	3.9
245.00743	1.2
247.02412	18.3
248.02921	2.2
249.03975	10.1
257.00790	6.9
258.01205	1.5
259.02359	37.0
260.02795	3.1
261.02902	2.3
273.00397	1.1
275.01852	18.8
276.02560	7.9
277.03424	100.0
278.03796	8.9
279.03931	4.2
285.00159	5.6
293.02939	4.5
303.01340	94.6
304.01672	6.9
305.01962	5.4
321.02368	15.8
337.02127	3.1
338.02100	1.8
339.03473	24.2
340.03772	1.2
447.05338	2.6
465.06326	4.0
785.08099	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	784.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
55.05502	0.8
56.05043	0.7
57.03440	0.7
63.44110	0.5
67.05504	4.7
68.41711	0.6
69.03423	1.6
69.07056	1.7
71.02742	1.3
71.03073	0.7
71.05000	0.6
71.08631	0.9
79.05482	2.6
81.03411	3.1
81.07059	3.2
86.09699	100.0
87.10008	1.4
91.05464	4.4
93.07040	1.7
95.04947	1.7
95.08590	1.7
98.09700	0.9
103.05482	1.6
105.07037	4.0
107.04945	0.6
107.08607	2.2
109.02888	0.8
109.06540	0.8
109.10152	2.0
112.11234	6.7
117.07001	1.4
119.08576	0.7
120.08099	43.4
126.55418	0.7
128.54008	0.6
129.07069	0.7
131.08580	0.9
133.10144	2.5
146.09657	2.3
151.11200	1.1
154.15891	18.1
157.13356	11.0
163.03682	0.6
164.51978	0.6
184.07339	0.6
185.11205	0.8
185.12842	12.3
185.14391	0.9
188.14326	7.3
199.16202	0.8
199.18047	14.4
201.27826	0.6
209.16643	0.6
219.11308	1.5
221.00757	0.9
223.13300	1.0
225.19618	6.7
227.17523	13.2
231.02876	1.1
233.16464	15.5
247.02238	0.6
253.14357	4.2
253.19087	6.0
259.02405	0.8
259.18130	1.6
260.02948	1.0
261.15991	12.8
261.18796	0.7
263.63797	0.7
267.24274	8.1
269.18600	0.6
277.03391	4.0
277.22830	0.7
278.03815	1.6
280.20297	0.8
287.17538	3.5
291.19595	0.7
295.23721	3.5
297.17081	0.9
298.21222	9.9
301.22675	7.6
303.01285	2.9
304.01740	1.8
321.02145	0.8
329.22223	4.8
332.19751	4.8
337.02100	1.1
340.25952	3.5
363.58636	0.6
366.27521	1.7
374.24335	5.2
383.30020	1.5
400.25806	3.1
408.32065	1.1
411.29794	5.1
417.28616	2.0
442.30847	1.8
445.28250	6.2
453.34180	0.8
459.33453	1.4
479.36057	2.8
485.34863	1.1
487.33127	2.2
493.27557	0.7
496.38388	1.3
513.34290	4.8
524.38092	4.0
530.37024	3.6
555.38843	1.8
558.36481	12.3
592.44928	0.8
600.40955	1.4
626.42664	7.1
628.41418	0.8
637.46613	1.3
643.45374	5.7
653.43878	0.8
668.47363	0.9
671.44971	12.0
713.48645	0.9
739.51141	2.4
756.53595	4.4
766.50879	1.0
784.53607	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03093	1.0
69.03422	25.2
69.83243	5.3
69.83665	3.3
77.00318	1.1
79.64660	1.3
81.03412	32.6
85.02901	4.0
97.02879	5.4
98.21448	1.5
99.04446	1.5
105.03364	1.5
109.02878	15.2
127.03928	8.1
127.04707	1.3
130.01347	1.2
131.04924	1.6
133.02834	1.8
135.04414	1.9
145.02844	2.5
147.04396	2.9
157.02794	2.2
159.53181	1.4
161.02316	2.8
163.03914	9.0
165.01817	1.5
173.02258	2.7
175.03954	1.7
179.03421	1.5
187.03899	4.7
189.01759	7.1
191.03337	10.0
201.01929	6.9
201.54135	1.3
203.03415	4.7
207.02948	6.1
213.01878	1.4
215.03317	3.7
217.01334	11.5
219.02882	9.5
221.00682	2.2
229.01309	4.7
231.02875	21.6
235.02382	14.1
241.01340	3.4
245.00764	8.7
247.02333	13.3
257.00775	8.2
259.02368	30.8
263.01831	4.1
273.00275	6.6
275.01846	17.1
276.02689	7.0
277.03415	100.0
278.03671	1.7
285.00342	6.4
291.01443	1.7
300.99792	4.0
303.01328	89.1
304.01776	1.9
319.00671	7.3
321.02219	4.7
337.01877	28.3
407.02554	2.2
447.05405	3.4
463.05112	7.9
481.05991	1.8
487.57062	1.6
783.06799	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	783.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.7
55.05262	1.1
55.05506	13.0
56.37823	0.8
57.03433	8.5
59.05014	0.9
61.02920	1.5
65.03941	2.1
67.01895	0.8
67.05167	1.6
67.05498	18.0
69.03425	27.1
69.07053	5.9
69.07342	0.7
69.26445	7.0
69.26868	2.4
71.01313	0.9
71.04997	6.9
79.05490	20.7
81.03413	100.0
81.07053	23.3
83.04972	15.3
83.08615	13.1
85.02901	16.8
85.06537	1.6
90.02696	0.8
91.05476	22.4
91.06015	1.5
93.07040	13.0
95.04965	20.0
95.08601	6.3
97.02886	24.2
97.06540	3.8
97.10152	4.7
98.21455	1.7
98.80200	0.8
99.04432	6.4
105.04518	1.0
105.07029	16.4
107.04951	6.6
107.08584	6.5
109.02874	22.5
109.06522	4.8
109.10172	3.6
109.89095	0.8
111.04444	10.2
111.05143	1.4
111.08067	8.3
113.05994	0.9
115.05456	2.0
117.07008	3.4
119.04946	1.4
119.08573	11.7
121.06509	3.2
121.10138	8.3
123.04431	2.2
123.08057	2.4
123.11711	3.0
125.09622	3.5
127.03907	19.0
129.05452	3.0
129.06984	6.9
131.04997	1.1
131.08562	8.4
133.06482	3.6
133.10118	6.5
135.08066	1.7
135.11697	2.8
137.06010	1.6
137.09607	1.0
139.03935	1.3
142.07732	1.8
143.08578	2.3
145.04944	1.1
145.06517	2.0
145.10092	4.3
147.04410	1.5
147.08026	2.4
147.11674	14.5
149.06015	1.7
149.09666	5.5
149.13161	1.0
151.03905	1.7
153.01834	2.3
153.12788	1.2
155.08566	1.1
157.06458	1.0
157.10139	8.2
159.11638	1.2
161.05949	2.0
161.09709	1.0
163.03957	1.2
163.07559	1.0
163.11189	3.4
165.05540	1.0
165.12723	3.6
167.07054	1.7
171.08075	0.9
171.11749	2.0
173.04477	9.1
173.05862	1.4
173.09685	1.0
175.11191	8.7
177.05528	1.0
177.12802	1.3
181.12189	4.4
183.06580	1.4
189.05505	1.0
189.11229	1.1
189.12802	1.0
191.03387	1.0
191.10674	3.3
193.12227	33.0
201.01851	1.0
211.13274	49.0
213.12909	1.3
215.03610	1.1
217.01315	1.1
217.12193	1.1
219.02864	1.8
227.12663	5.9
229.14404	3.3
231.02875	3.0
231.13950	0.9
233.15306	0.9
235.02461	1.8
235.13255	1.3
237.12663	1.2
247.02347	1.6
249.14960	2.0
253.07063	2.3
255.13768	1.4
257.00781	1.5
259.02402	4.2
259.13348	1.3
263.01669	1.2
267.15927	10.6
271.08112	1.1
272.29898	0.8
273.14847	3.4
275.01926	2.6
276.02725	1.8
277.03387	11.7
283.15393	1.9
285.10141	1.7
285.16949	9.6
289.14441	2.0
290.09668	0.9
301.14246	4.4
303.01367	11.9
304.01624	1.0
309.17233	0.9
319.00659	1.2
319.15485	2.1
321.16907	1.0
337.01776	4.3
337.16284	4.0
355.17487	6.6
375.18066	1.2
385.23895	1.8
393.19153	1.6
411.20102	6.4
429.21198	3.1
459.27414	3.9
477.28470	3.2
495.29529	3.4
499.21405	0.9
555.23810	1.1
585.30988	1.3
603.31348	2.6
621.32635	7.3
633.45673	0.9
639.33704	4.4
765.36566	2.0
783.05988	1.4
783.37885	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	781.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
55.45351	0.6
57.03427	1.8
61.02924	5.7
66.92068	0.5
67.05498	7.0
69.03437	2.4
69.07072	1.5
69.24242	2.4
69.24664	4.3
71.01353	0.6
73.02913	4.1
73.15813	0.5
79.05502	3.3
81.03421	1.9
81.07055	4.1
83.08607	1.0
85.02892	5.4
91.03945	4.0
91.05471	1.7
93.07045	3.1
95.04961	0.6
95.08598	2.8
97.02884	4.6
97.63659	0.6
99.04465	1.5
101.02396	1.6
105.07030	0.8
107.08603	1.7
109.10142	4.9
117.07072	0.8
119.08599	1.0
120.38128	0.5
121.10149	1.6
127.03912	1.9
173.11798	1.5
184.07387	2.0
185.04295	1.2
195.09926	0.9
229.14247	0.8
243.08394	1.9
257.31961	0.8
335.25784	0.9
413.17795	6.9
440.55109	0.7
519.29175	9.4
642.23242	1.7
691.40234	100.0
692.40784	3.7
717.41394	1.0
735.43610	0.9
763.41681	0.8
781.41901	18.9
782.22015	0.7
782.41516	0.8
785.52124	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.8
55.81015	0.6
57.03412	1.0
58.83101	0.7
60.87154	0.7
64.77749	0.8
65.24187	0.7
68.99754	0.7
69.03426	27.5
69.91785	4.1
70.10747	0.7
71.01360	1.1
81.03416	37.4
83.01334	1.9
85.02883	1.8
91.05486	1.1
97.02892	4.3
98.20807	0.8
99.04443	1.8
103.05457	1.3
105.03374	1.9
107.04928	2.2
109.02872	19.2
117.03344	1.5
118.04168	1.0
119.04927	1.8
119.28149	0.7
124.17022	0.7
127.03909	7.3
133.02850	2.8
135.04437	1.7
137.02373	0.7
145.02841	2.3
147.04396	2.8
151.03906	0.9
153.01833	1.0
157.02840	2.4
161.02324	3.2
163.03905	9.3
165.01865	1.7
173.02359	5.0
175.03857	3.7
177.01884	1.2
179.03391	3.5
185.02376	2.5
187.03867	5.1
189.01794	10.2
190.02582	0.8
191.03395	11.0
193.01357	2.2
195.02878	1.0
201.01816	9.4
202.02559	1.3
203.03340	5.9
205.01262	1.3
207.02863	7.5
213.01833	2.8
215.03329	5.2
217.01312	13.4
218.02036	1.6
219.02855	12.4
221.00836	2.3
229.01302	7.7
230.02129	0.8
231.02873	26.7
235.02365	15.7
239.01862	1.1
241.01355	5.7
245.00778	11.9
246.01360	0.8
247.02373	15.4
257.00812	10.9
259.02374	37.1
263.01855	6.6
273.00296	8.9
274.01160	0.8
275.01831	19.3
276.02637	8.4
277.03424	100.0
278.03687	2.6
281.04382	1.0
285.00302	7.2
287.01855	1.0
289.03391	0.9
291.01306	2.8
297.03998	0.9
300.99777	4.2
302.00580	1.1
303.01331	87.8
304.01566	1.9
305.02811	1.4
312.55069	0.8
319.00916	5.6
321.02350	2.7
331.00800	1.0
337.01865	30.9
337.05908	1.7
338.02313	1.2
429.04648	1.1
445.03894	1.0
447.05591	0.9
463.05029	6.7
476.13254	0.8
491.46982	0.8
709.91284	0.8
783.06622	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	780.5533
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	0.6
58.06614	0.4
60.08155	4.3
61.70695	0.2
67.97719	0.3
70.45784	0.3
70.77003	0.2
71.01195	0.3
71.01537	0.6
71.07373	2.7
79.05463	0.3
86.09701	27.2
98.98466	3.1
104.10740	1.8
109.67780	0.3
119.24197	0.3
125.00001	17.6
143.01004	0.5
149.94157	0.3
184.07330	100.0
185.07648	1.1
195.69704	0.3
222.11777	0.3
287.74774	0.4
341.35571	0.3
563.91461	0.3
780.55334	2.0
789.22845	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.0
57.03419	1.6
61.02918	5.1
62.89025	0.9
67.05511	7.7
69.03421	3.5
69.07078	1.0
69.46352	7.6
73.02910	3.8
79.05494	3.4
81.03426	2.1
81.07038	4.4
83.04990	0.9
85.02904	4.5
86.09721	1.7
89.23201	0.9
91.03944	3.8
91.05476	1.0
93.07034	2.8
95.08595	3.1
97.02873	4.9
99.04454	1.2
101.02377	1.6
105.07025	2.1
107.08591	2.3
109.02863	1.6
109.10144	4.0
111.04445	1.2
119.08546	1.5
121.10166	1.5
127.03870	1.9
150.41962	0.9
159.11624	1.0
173.11829	1.5
184.07332	7.3
195.09923	1.4
209.11714	3.0
243.08441	2.0
335.25421	1.4
392.77304	0.9
413.17740	4.7
519.29291	10.0
521.38062	1.9
691.40240	100.0
692.40210	4.2
707.28796	1.1
781.42822	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	781.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.0
57.03419	1.6
61.02918	5.1
62.89025	0.9
67.05511	7.7
69.03421	3.5
69.07078	1.0
69.46352	7.6
73.02910	3.8
79.05494	3.4
81.03426	2.1
81.07038	4.4
83.04990	0.9
85.02904	4.5
86.09721	1.7
89.23201	0.9
91.03944	3.8
91.05476	1.0
93.07034	2.8
95.08595	3.1
97.02873	4.9
99.04454	1.2
101.02377	1.6
105.07025	2.1
107.08591	2.3
109.02863	1.6
109.10144	4.0
111.04445	1.2
119.08546	1.5
121.10166	1.5
127.03870	1.9
150.41962	0.9
159.11624	1.0
173.11829	1.5
184.07332	7.3
195.09923	1.4
209.11714	3.0
243.08441	2.0
335.25421	1.4
392.77304	0.9
413.17740	4.7
519.29291	10.0
521.38062	1.9
691.40240	100.0
692.40210	4.2
707.28796	1.1
781.42822	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	779.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	2.1
55.05507	2.9
57.03443	3.5
61.02919	4.8
62.72271	1.7
66.41412	1.9
67.05500	7.8
69.03414	3.8
70.06586	17.7
70.73886	1.9
71.58909	3.9
73.02900	2.9
79.05502	5.9
80.05840	1.7
81.03415	4.8
81.07059	7.9
85.02911	7.9
86.09699	3.1
86.33366	2.1
91.03981	2.9
91.05454	3.1
93.07047	6.3
95.04987	2.5
95.08600	4.4
97.02892	6.5
97.90489	1.9
99.04513	3.2
102.44730	2.0
109.10123	2.8
117.07026	2.2
127.03932	2.9
130.44057	2.2
131.08516	2.0
133.10054	2.9
148.74815	2.3
161.39105	2.3
184.07388	9.0
185.04245	3.3
195.13831	2.3
201.03783	2.1
235.13022	2.5
243.08385	5.8
275.16309	2.1
276.91248	2.1
301.08875	9.5
315.10413	3.5
333.16986	2.2
357.15097	2.0
373.11163	6.2
379.17252	3.8
385.18399	6.7
413.17972	3.2
417.26294	2.8
443.19034	7.3
453.21002	17.4
481.20773	4.9
525.22906	6.7
567.31683	3.8
607.44153	2.5
625.32013	8.4
651.33685	7.5
693.34509	47.0
733.41132	4.9
761.40833	4.6
779.41272	100.0
780.41052	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	779.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08154	3.6
60.68297	3.6
71.57594	3.7
71.58097	3.7
75.19695	3.4
86.09680	6.6
124.99976	7.8
184.07343	20.0
299.64642	3.5
606.67902	4.4
630.31067	4.2
661.61957	3.7
726.57941	3.8
779.43127	100.0
780.42786	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	779.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
55.05502	1.3
55.66822	0.4
57.03431	1.9
59.05001	0.8
61.02926	6.9
67.05507	5.9
69.03419	3.6
69.07072	1.0
69.37495	3.9
71.01350	0.4
71.04987	1.1
73.02914	4.1
79.05500	3.9
81.03416	2.6
81.07056	5.1
83.04989	0.5
83.08620	1.4
85.02895	4.9
86.09711	0.7
91.03937	3.2
91.05476	3.5
93.07047	4.2
95.04975	1.4
95.08617	3.3
97.02882	4.8
97.06554	0.5
98.20716	0.8
99.04443	1.0
101.02386	1.8
105.07021	2.1
107.08607	3.0
109.02887	1.0
109.10168	1.5
115.03868	0.5
119.08616	1.4
120.67450	0.4
121.10126	2.6
125.00058	0.9
127.03950	1.4
131.08575	1.3
133.10141	1.2
135.11731	0.9
145.29089	0.4
147.11710	1.0
149.09657	0.8
157.10114	0.8
175.11172	0.6
184.07321	3.4
203.05290	0.6
243.08385	2.7
283.15134	5.7
335.25705	0.8
339.17966	0.6
501.22977	7.5
519.29224	9.2
554.02820	0.4
614.76782	0.5
638.46014	0.5
700.30780	0.4
772.93353	0.5
779.45471	100.0
780.45789	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	779.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	10.2
56.55774	4.4
57.03431	5.9
61.02921	11.5
61.81226	4.4
64.55695	4.5
67.05496	12.8
67.25459	4.3
69.03423	7.8
69.07034	5.0
69.32568	43.8
69.32973	10.6
70.06578	18.6
73.02910	10.5
79.05484	8.6
81.03421	7.6
81.07070	17.6
83.08617	7.3
85.02896	12.6
86.09694	21.7
87.91199	5.2
91.03953	7.6
93.07071	12.1
95.04969	6.8
95.08623	8.1
97.02885	13.8
97.47003	4.8
107.08588	9.0
109.10130	4.9
121.10191	4.7
124.99990	8.5
127.03873	6.3
129.05493	7.5
135.11653	6.0
148.66438	5.6
171.41707	5.0
176.05443	4.2
184.07320	35.0
185.04181	6.9
185.07680	5.4
201.50591	4.5
221.11578	5.7
243.08392	8.0
261.14648	6.5
278.83499	5.0
301.08911	11.3
315.10434	12.0
369.15106	8.9
371.16684	16.6
373.10995	12.9
389.22937	10.6
425.21472	18.8
429.17456	5.5
439.19418	26.7
443.27979	6.4
455.18774	5.9
469.19977	6.2
471.22000	12.4
497.23557	12.7
511.21732	32.5
525.22955	9.0
553.29388	12.7
567.27716	17.6
579.31042	5.5
610.87158	4.7
622.33032	20.9
635.33698	7.5
651.33252	5.3
654.31812	7.7
733.41217	100.0
734.41260	6.2
761.40527	10.2
779.41187	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.9
55.05513	2.2
57.03424	1.7
57.07059	2.8
61.02924	6.9
65.52201	1.0
67.05501	5.0
68.99372	1.2
69.03429	3.3
69.07088	1.5
70.06602	1.6
71.57676	1.9
73.02924	4.9
77.55652	1.1
79.05496	4.5
81.03412	4.3
81.07051	6.5
83.04978	1.7
83.08634	1.7
85.02890	7.7
86.09682	1.5
91.03948	5.9
91.05479	3.3
93.07043	5.5
95.01109	1.1
95.05001	2.0
95.08629	3.6
97.02903	6.7
101.02346	2.0
103.03923	1.6
105.07052	3.6
105.92093	1.3
107.08609	2.5
109.02912	1.3
109.10217	1.6
111.08105	1.2
116.02769	1.1
117.07055	1.2
119.08605	2.7
121.10136	2.2
125.00101	1.8
127.03944	2.7
129.05507	2.4
133.10138	1.8
135.11752	1.9
145.10089	1.6
147.11716	1.6
184.07428	4.3
185.04259	7.1
201.03690	2.4
203.05309	1.7
243.08315	6.6
259.07925	2.3
299.19440	1.2
301.08905	18.3
301.12057	1.3
315.10645	4.6
317.21075	2.3
339.27670	1.3
357.24057	1.4
369.15332	2.1
373.11230	4.3
385.18277	10.8
415.24472	2.4
429.17181	2.7
429.26477	1.4
441.20523	1.7
457.20547	2.2
461.25357	2.1
465.21109	4.7
467.19217	3.2
469.20480	7.8
495.22302	2.7
499.34009	3.2
525.23029	24.6
525.30347	1.9
526.23346	1.7
535.28809	13.4
551.28296	2.5
565.25964	2.0
594.30188	3.4
607.30847	7.6
608.31519	1.4
609.32690	5.3
621.33197	2.3
635.33868	2.5
665.34875	1.3
677.38196	6.6
693.34357	21.1
695.39410	6.3
719.39813	1.8
733.41351	1.8
761.40204	6.1
779.41602	100.0
780.42413	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
55.05510	1.7
57.03442	1.6
60.08168	0.6
61.02928	5.5
63.04944	0.5
67.05505	3.9
69.03422	3.6
69.07063	1.5
69.54033	0.5
71.05008	0.7
73.02905	3.3
79.05486	3.4
81.03420	4.3
81.07050	4.3
83.08606	1.2
85.02908	5.7
86.09718	3.8
91.03961	1.7
91.05490	3.3
93.06534	0.5
93.07027	2.9
95.04987	1.7
95.08614	1.3
97.02888	3.7
98.20716	1.1
101.02419	1.4
105.07045	2.8
107.08604	0.9
109.02905	1.0
119.08594	1.8
125.00043	2.2
127.03948	0.8
131.08618	1.3
133.10165	1.5
135.11658	0.9
145.10173	0.6
147.11688	1.1
149.09731	0.5
157.10118	0.9
175.11150	0.9
181.59604	0.5
181.66547	0.6
184.07338	10.1
185.04317	0.9
185.07759	1.7
193.12247	1.3
193.22826	0.5
194.42879	0.5
200.01656	0.5
243.08426	2.5
251.12654	1.1
283.82379	0.7
333.20605	1.5
453.21060	1.0
469.20337	10.1
551.28302	4.1
659.53033	0.6
779.41840	100.0
780.42297	7.7
787.56219	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
55.05502	1.5
57.03428	2.0
61.02926	5.1
65.03906	0.5
67.05499	4.3
69.03445	3.1
69.07063	2.2
71.01341	0.7
71.04980	0.7
73.02926	3.5
79.05489	3.7
81.03417	4.9
81.07057	5.1
83.04967	0.9
83.08629	1.0
83.81201	0.4
84.10671	0.4
85.02910	6.7
86.09724	0.5
91.03947	2.8
91.05486	4.3
91.64022	0.5
93.07063	3.9
95.04988	2.3
95.08611	1.9
97.02889	3.5
97.06522	0.4
99.04466	0.9
101.02385	1.9
105.07031	3.0
107.08592	1.8
119.08582	2.2
121.10130	1.1
123.08073	0.6
127.03915	1.0
129.07018	0.9
131.08606	1.6
133.10138	1.5
135.07997	0.5
135.11685	1.1
147.11673	1.2
157.10168	0.9
175.11238	1.1
180.79813	0.5
184.07443	1.6
185.04228	0.5
193.12288	1.0
211.13390	0.7
243.08447	2.6
251.12805	0.6
267.21243	0.5
269.12326	1.0
307.15063	0.5
313.08786	0.5
333.20517	1.3
439.19305	0.9
453.20764	0.8
469.20459	9.7
551.28156	4.6
681.34076	0.8
779.41833	100.0
780.42224	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
55.05502	1.0
56.27695	0.6
57.03431	1.7
61.02921	3.6
62.00117	0.6
67.05508	4.6
69.03416	3.0
69.07072	0.9
70.71493	1.3
71.05003	0.8
73.02914	4.4
79.05482	3.6
81.03416	5.2
81.07049	4.4
83.04998	1.6
83.08626	2.2
83.78450	0.5
85.02898	6.1
91.03969	2.3
91.05489	4.8
93.07073	2.9
95.04975	2.6
95.08618	1.8
97.02892	4.6
97.06506	0.8
99.04454	1.0
101.02397	1.9
105.07033	3.8
107.04996	0.9
107.08611	1.3
109.02927	0.8
109.06498	0.9
109.10161	1.1
111.08089	0.6
117.06997	0.9
119.08549	2.9
121.10154	1.5
123.08083	0.9
127.03924	1.2
129.07010	1.1
131.08629	2.0
132.94379	0.6
133.10168	2.3
133.37668	0.6
147.08099	0.7
147.11688	1.0
149.09680	0.8
157.10138	1.7
175.11217	1.1
184.07318	1.1
185.04236	0.7
193.12279	2.2
243.08499	2.7
251.12607	1.3
285.17105	0.8
301.08768	0.6
313.17776	1.6
331.18799	2.9
408.61295	0.7
451.19507	1.1
469.20486	17.1
531.25543	1.4
541.22943	1.2
549.26410	3.2
665.31573	0.6
679.32574	3.5
759.39069	12.9
777.40161	100.0
778.40442	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	778.5373
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
56.05024	1.2
57.45306	0.4
58.06606	0.5
60.07892	0.4
60.08163	5.9
70.62915	1.0
70.63248	0.5
71.07375	3.9
86.09698	29.9
98.98462	3.1
104.10745	2.0
112.81306	0.4
124.99998	19.4
143.01044	0.8
158.70212	0.5
171.67430	0.4
175.71236	0.4
181.68675	0.4
184.07330	100.0
482.57294	0.5
767.75153	0.5
778.53912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92894	0.2
63.02386	0.6
67.05510	0.2
69.03427	1.6
69.98063	0.8
69.98473	0.3
70.06605	0.3
79.01854	3.3
79.02296	0.3
79.05493	1.5
80.95164	0.2
81.03400	2.5
81.07065	0.3
81.37946	0.2
85.02918	0.7
89.03908	6.4
91.05505	0.7
93.07079	0.3
95.04973	0.6
97.02886	1.6
97.03426	0.2
100.11259	0.2
105.04494	0.3
105.07081	0.2
107.01315	0.7
107.04959	2.2
109.02852	1.7
117.03368	7.6
119.04961	0.4
121.02880	0.7
123.04482	0.3
125.02335	2.2
127.03915	1.4
130.42053	0.2
135.04410	18.3
136.04755	0.3
136.07616	0.3
137.02306	0.7
137.05997	1.2
143.03383	4.6
145.02843	12.1
147.04352	0.6
150.18576	0.2
153.01820	58.8
154.02167	0.5
157.06523	0.2
157.45187	0.2
161.05812	0.2
163.03891	100.0
164.04259	1.0
164.07053	0.4
165.01831	0.3
167.06982	0.3
171.02922	1.1
171.81587	0.2
181.04901	0.3
182.15247	0.2
183.04427	0.2
186.05466	0.5
191.03369	0.3
201.05461	0.8
205.04919	0.4
210.14842	0.4
213.03847	0.5
229.04893	0.7
237.03862	0.6
238.99377	0.2
243.06351	0.3
247.05896	1.0
257.04352	0.5
271.05948	0.7
279.04852	0.3
287.05469	4.4
288.05728	0.4
289.06406	0.2
293.28531	0.2
293.63480	0.2
297.05963	0.8
303.04956	7.6
307.08243	1.0
315.04514	0.5
345.05893	0.2
391.07895	0.6
394.42749	0.2
408.60355	0.2
433.08792	0.5
459.09210	5.1
465.11896	3.0
477.10446	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
55.05511	2.2
57.03432	1.9
57.07058	0.7
60.08147	0.8
61.02923	4.4
62.31485	0.6
67.05509	6.7
69.03436	3.2
69.07072	1.9
69.34640	2.3
69.35059	3.7
71.05006	0.8
73.02916	2.2
73.88090	0.5
79.05490	4.9
81.03423	3.9
81.07057	5.9
83.04981	1.9
83.08626	1.7
85.02906	6.4
86.09715	1.9
91.03954	2.8
91.05492	5.1
93.07050	4.8
95.04976	1.9
95.08623	2.6
97.02894	4.6
97.06503	0.8
97.10181	0.6
98.20702	1.0
99.04440	1.1
101.02397	1.7
105.07028	4.0
107.04969	1.4
107.08604	3.5
109.06470	0.7
109.10188	1.7
109.24470	0.6
116.98634	0.7
117.07021	1.5
117.76157	0.6
119.08605	2.2
121.10143	1.2
123.08104	0.9
125.00059	1.5
127.03938	1.8
129.07080	0.8
131.08606	0.9
133.10129	2.6
135.08044	0.6
135.11760	1.5
135.21190	0.5
145.10129	1.9
151.11136	0.6
157.10239	0.6
163.11255	1.7
183.05962	0.6
184.07326	6.9
185.04211	0.8
185.07809	0.6
202.20999	0.5
243.08336	2.8
290.63181	0.6
333.20401	1.0
342.99512	0.6
345.52734	0.6
467.18808	7.5
469.20044	2.9
551.27905	3.9
584.32648	0.6
679.32867	1.2
777.40259	100.0
778.40887	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	777.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.3
55.05513	0.3
59.76810	0.2
62.32567	0.2
63.02359	0.3
67.05501	0.3
69.03426	0.3
70.06579	0.8
71.04973	0.4
71.58121	0.4
72.59538	0.2
78.04710	0.3
79.01848	1.7
79.05475	0.7
81.03426	0.7
81.07070	0.3
85.02888	0.4
87.82396	0.2
87.87207	0.2
89.03907	8.1
91.05479	1.0
93.07024	0.5
95.04942	0.7
95.79548	0.2
96.08105	0.5
97.02878	0.8
103.05450	0.5
105.07026	0.5
106.04118	0.3
107.01295	0.3
107.04946	0.6
109.02875	0.4
109.10110	0.3
117.03372	19.9
119.04952	0.3
119.08578	0.4
121.06499	0.3
123.00818	0.3
124.05191	0.3
124.07528	0.3
125.02348	1.1
129.06998	0.2
131.04956	0.3
134.03619	1.5
135.04427	2.1
137.06003	1.1
142.08617	0.3
143.03394	2.1
145.02834	49.1
145.10129	0.3
146.03201	0.9
147.04366	0.3
149.04770	0.4
149.05968	7.0
153.01820	24.7
159.04305	0.2
161.05978	0.3
163.03891	0.8
167.07010	1.1
177.05458	100.0
178.05786	1.5
181.04846	0.4
186.05457	2.0
205.04927	0.3
221.12881	0.3
236.18102	0.3
237.07492	0.3
279.11307	0.3
287.05475	5.5
339.11929	0.3
341.42587	0.3
417.14792	0.3
473.10593	0.5
491.11804	2.1
532.64117	0.2
548.49396	0.3
611.03192	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.1
55.41272	0.8
55.73339	0.6
57.03435	2.6
61.02930	4.4
61.60141	0.6
67.05502	4.8
69.03441	3.5
69.07060	1.8
70.21349	0.7
71.04971	0.8
73.02914	2.2
73.41631	0.6
79.05480	4.6
81.03416	2.4
81.07067	3.2
83.01361	0.7
83.04967	1.2
83.08620	1.4
85.02907	5.3
86.09734	1.0
87.04445	0.6
91.03956	2.1
91.05475	4.8
93.07040	3.5
95.04965	2.5
95.08601	1.6
97.02896	3.9
97.06553	0.8
101.02370	1.9
103.98255	0.6
105.07055	2.1
107.08587	3.1
109.10159	2.0
117.07008	1.0
119.08587	1.9
121.10178	1.2
124.99972	0.7
125.09653	0.9
131.08598	1.2
133.10132	3.6
135.11699	0.7
147.11685	1.2
157.10193	1.2
163.11136	1.1
175.11235	0.7
184.07333	3.5
185.07602	0.9
202.28888	0.6
228.46356	0.6
243.08461	2.1
269.17035	0.8
270.61569	0.6
290.22452	0.6
331.18918	1.4
439.19901	0.7
467.19037	2.4
469.20361	6.1
513.88501	0.7
549.26587	4.4
679.33582	1.1
777.40259	100.0
778.40283	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	777.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.4
63.02378	0.3
65.03941	0.3
67.05507	0.6
69.03423	1.5
69.07040	0.3
70.06587	0.6
71.05000	0.3
71.57571	0.3
79.01842	2.8
79.05495	0.9
81.03413	2.2
81.07060	0.8
83.04969	0.3
84.25465	0.3
85.02914	0.5
88.00797	0.3
89.03906	7.6
89.04415	0.5
91.05483	1.2
93.07021	0.5
95.04981	0.5
97.02888	0.9
97.24977	0.3
103.05453	0.7
105.07013	0.6
106.04234	0.4
107.01299	0.4
107.04960	0.5
107.08565	0.4
109.02878	1.2
109.06542	0.3
117.03372	19.4
119.08583	0.6
121.06537	0.3
124.05196	0.6
125.02338	1.7
127.03917	1.1
129.06946	0.4
133.10110	0.3
134.03703	1.3
135.04417	2.0
137.05943	1.0
143.03383	4.0
145.02834	46.6
146.03227	0.5
147.04454	0.4
147.11623	0.4
149.05971	7.4
149.07123	0.5
151.03871	0.4
153.01817	49.0
154.02168	0.6
159.11676	0.3
161.06012	0.6
163.03879	0.8
167.06990	0.7
177.05453	100.0
178.05775	1.1
181.04942	0.4
186.05467	2.6
219.10229	0.3
237.03967	0.4
261.04010	0.4
287.05478	4.9
303.01706	0.4
303.04816	1.6
321.09460	1.0
333.72803	0.3
473.10745	7.5
491.11658	1.5
559.70477	0.4
685.20093	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	27.0
57.03433	17.2
57.07060	4.1
67.05500	53.1
69.03461	2.7
69.07060	27.5
71.58476	5.2
71.58848	4.5
74.07771	2.7
79.05487	29.4
81.03410	86.1
81.07054	65.4
83.04951	6.5
83.08618	26.9
86.09685	5.8
91.05486	26.0
93.07034	25.0
95.04974	28.7
95.08605	42.0
97.06539	5.5
97.10149	11.1
99.08083	4.7
105.07061	21.5
107.04964	5.1
107.08579	15.9
109.10151	19.6
111.08083	9.2
111.11691	2.8
119.08580	24.6
121.06506	5.2
121.10118	15.9
123.11680	7.9
125.00013	3.2
128.84526	3.6
129.06992	9.5
131.08542	9.4
133.06482	4.7
133.10100	11.2
135.11671	5.9
145.10136	5.4
147.08078	3.3
147.11659	11.6
149.09569	4.5
157.10156	7.9
165.12572	2.8
175.11125	6.6
184.07350	7.3
193.12230	25.5
195.48723	3.2
202.96736	3.2
211.13222	3.6
245.22523	5.3
263.23593	6.2
267.15894	94.4
337.27365	100.0
435.41888	3.4
455.34961	10.9
529.38885	78.9
530.38690	4.9
541.75665	3.2
547.39984	40.6
571.39453	4.6
776.47565	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	776.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.3
55.05511	43.8
56.08321	1.4
57.03436	16.8
57.07067	2.2
59.04976	2.8
60.08151	3.7
60.31356	1.6
61.02919	3.3
63.21883	1.5
65.03938	4.8
67.05502	100.0
69.03425	4.8
69.07062	21.1
69.37531	17.6
71.01346	2.3
71.04984	2.6
71.07375	2.8
73.02893	2.4
74.13875	1.5
79.05490	50.6
81.03399	4.1
81.06583	3.3
81.07052	65.5
83.04983	5.3
83.08610	14.8
85.02904	17.9
85.06555	3.4
86.09711	23.3
87.04466	4.7
91.05479	28.6
93.07039	44.1
95.04958	10.3
95.08602	43.9
97.02892	5.4
97.06509	5.2
97.10168	20.0
98.21482	2.6
98.98466	2.6
103.03937	2.8
105.07021	19.2
107.04942	3.2
107.08594	33.4
109.06492	2.9
109.10156	45.9
111.08115	2.9
115.05351	1.9
117.06996	5.9
119.08585	18.1
121.10139	23.0
123.08073	2.1
123.11716	5.5
124.99998	14.9
125.09622	22.3
127.11077	1.6
129.06995	4.1
130.11670	1.8
131.08539	13.8
133.10069	10.3
135.11702	14.4
137.13184	2.1
139.11169	2.0
143.10655	4.1
145.10141	11.0
147.11681	6.4
149.09645	2.6
149.13269	7.6
151.11143	2.0
153.12756	2.6
155.10689	2.0
157.10034	2.3
159.11699	7.0
161.13232	4.9
162.49780	1.8
163.11200	6.2
163.14793	4.8
171.11723	2.5
173.11714	13.3
173.13258	7.2
175.14827	2.1
177.12752	2.8
177.16426	2.0
181.10545	1.8
181.12225	1.9
182.25020	1.6
184.07336	80.0
187.14784	4.3
193.12230	3.7
197.13182	1.7
199.13258	11.8
205.15799	2.5
209.11713	5.2
227.12793	8.9
229.14352	37.3
230.52766	1.7
241.14221	2.2
243.21039	4.2
245.13844	2.6
261.22061	12.6
267.15918	3.9
277.21667	2.7
283.15329	4.8
299.14771	3.6
300.15170	3.7
301.16489	23.1
315.22983	2.5
319.17340	2.3
322.74466	1.8
327.23062	2.2
335.25790	77.3
336.25879	3.6
363.25302	2.4
382.59573	1.6
408.73792	1.7
451.32138	2.2
459.34772	2.0
477.35587	12.4
489.35690	15.7
525.35254	1.7
543.36377	3.4
547.95923	1.9
561.37842	11.5
579.39020	4.7
593.62103	1.8
672.42297	4.0
776.43555	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	776.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	6.0
55.05509	43.7
57.03438	17.2
57.07064	3.5
59.04983	3.6
61.02914	3.4
65.03926	2.7
67.05499	100.0
69.03418	3.8
69.07067	21.5
69.07424	2.7
69.07919	1.4
69.31242	14.2
71.01344	3.3
71.04970	4.5
73.02885	1.6
76.22529	1.4
79.05490	51.4
81.03403	5.0
81.07052	64.0
81.07524	3.6
83.04971	6.4
83.08611	16.4
85.02893	18.1
85.06535	3.3
86.09702	7.8
87.04469	7.5
87.48946	1.5
91.05473	29.2
93.07037	43.1
95.04962	7.9
95.08598	46.1
97.02876	5.0
97.06503	4.2
97.10158	21.0
98.20813	3.1
99.08087	2.0
103.03941	2.5
105.07024	19.2
107.04950	1.8
107.08575	30.6
109.06509	4.9
109.10148	48.0
111.08076	4.5
117.07011	6.6
119.08566	17.0
121.06460	2.2
121.10144	18.5
123.08041	2.4
123.11675	4.8
124.99973	4.8
125.09615	19.1
130.03058	1.4
130.89207	1.4
131.08543	11.0
133.10141	9.5
135.08015	2.1
135.11688	13.5
137.13234	2.2
143.08588	2.1
143.10666	2.0
145.10115	9.8
147.11693	7.0
149.09566	2.8
149.13257	6.0
157.10118	1.7
159.11693	4.4
161.13237	3.5
163.11166	6.4
163.14859	2.3
171.11646	1.7
173.09645	1.7
173.11713	11.1
173.13245	5.8
178.87277	1.5
184.07323	23.5
187.14799	1.8
189.98114	1.5
191.10484	1.5
193.12160	3.6
199.13242	9.0
201.16356	1.6
203.12743	1.6
209.11745	3.1
210.36066	1.4
211.25426	1.5
221.89584	1.3
227.12770	6.2
229.14330	32.7
243.21054	3.5
261.22189	10.0
266.15594	1.5
267.15933	5.0
278.82700	1.8
283.15457	3.4
285.17105	1.4
289.21625	2.1
301.16452	14.6
317.24707	3.1
335.25775	58.6
336.25626	1.5
433.30750	1.9
477.35895	7.3
489.35873	7.4
543.36676	3.9
561.37543	8.9
579.38873	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.5
55.05510	7.9
56.80152	1.0
57.03444	6.5
59.04973	1.4
61.02926	9.1
65.03923	1.2
67.05502	26.2
68.05824	1.9
69.03432	5.8
69.07069	13.6
69.44898	7.7
70.07378	1.2
71.01352	1.1
71.04984	2.9
71.05674	0.9
73.02909	6.9
79.05489	19.4
80.05828	2.2
81.03005	1.0
81.03403	6.7
81.07055	25.2
82.07383	3.9
83.01327	1.1
83.04984	4.6
83.08627	7.3
84.08955	1.0
85.02903	9.4
85.06551	2.2
86.09704	1.4
91.03954	4.1
91.05482	18.8
92.05798	3.0
93.07041	20.7
94.07363	3.4
95.04964	7.4
95.08604	11.2
96.08934	1.6
97.02889	8.7
97.06519	4.8
97.10165	1.3
99.04460	2.2
99.08102	1.0
101.02346	1.6
105.07019	12.3
106.07362	2.0
106.81339	0.8
107.04942	3.7
107.08592	10.8
108.08933	1.8
109.02904	2.6
109.06501	4.4
109.10178	5.2
109.90727	1.0
110.48738	0.9
111.08088	2.6
117.07035	4.9
119.08566	6.1
120.08952	1.1
121.06542	1.4
121.10147	5.1
123.08111	2.4
125.09618	1.3
127.03928	2.0
129.05507	1.7
129.06982	1.1
131.08545	4.7
133.06517	1.4
133.10147	8.7
134.10497	1.7
135.08076	1.3
135.11716	5.4
137.09633	2.1
143.08591	1.0
145.10121	4.4
146.10477	1.2
147.11684	2.9
149.09630	3.3
149.13304	2.7
150.09920	1.6
150.13673	0.9
151.11113	1.4
157.10089	1.9
159.11745	2.7
160.12029	1.1
163.11160	4.8
173.11746	1.2
173.13211	1.0
175.11206	1.4
177.12733	1.3
179.39864	0.9
181.33643	0.8
184.07336	2.2
188.70122	0.9
193.12271	1.7
195.13791	3.3
196.14136	0.9
201.60547	1.1
211.13365	1.1
243.08519	4.3
269.17514	8.4
269.33029	1.1
270.17883	3.6
275.20004	2.6
276.20410	1.3
283.15482	1.3
331.18832	2.6
349.23831	3.5
350.24020	2.8
365.22964	1.4
423.27527	1.2
424.27661	1.7
467.18851	16.0
531.25464	3.6
543.36615	2.5
544.36987	5.3
549.26770	5.8
677.31433	4.4
706.31335	1.6
757.37708	17.4
775.38757	100.0
776.38885	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	775.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.0
57.03430	4.3
59.41087	1.0
60.25076	1.1
61.02927	5.6
67.05505	10.3
69.03423	4.0
69.07066	5.4
69.98650	6.3
72.80971	1.2
73.02911	4.3
79.05492	9.2
79.27119	1.3
79.65712	1.1
81.03424	4.5
81.07056	8.2
83.04995	2.0
83.08630	2.6
85.02911	6.6
86.09706	2.5
91.03959	1.4
91.05470	5.7
93.07042	6.4
95.04980	3.5
95.08612	4.0
95.14355	1.1
97.02898	6.7
97.06522	1.6
97.10162	1.5
101.02425	2.1
105.07025	3.5
106.07289	1.1
106.36417	1.2
107.04983	1.2
107.08599	4.2
109.06548	1.4
109.10169	1.7
109.48000	1.1
117.07018	2.5
119.08583	3.1
121.06644	1.3
121.10165	2.3
123.08063	1.5
125.09644	2.2
129.06903	1.2
131.08542	2.4
133.10149	2.8
135.11734	2.3
145.10118	3.1
147.11690	2.0
149.09645	2.1
149.13269	1.4
163.11168	1.8
165.99002	1.2
184.07260	5.6
193.12228	1.2
197.02600	1.2
197.87830	1.3
227.12914	1.6
243.08469	3.3
269.17474	1.4
270.17825	1.4
291.19653	1.9
467.19025	12.3
549.27118	6.1
571.65088	1.2
637.68390	1.3
672.15210	1.1
763.28363	1.4
765.69037	1.3
775.38684	100.0
776.39453	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	775.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52110	1.0
57.32172	0.9
65.03925	2.2
66.50979	1.0
67.05495	2.4
69.03417	2.5
71.58048	1.9
79.05483	4.4
81.03411	3.9
81.07070	1.2
85.02913	1.9
91.05478	3.7
94.06572	7.9
95.04948	2.5
95.07322	2.1
95.08556	1.4
96.08114	5.6
97.02861	2.5
97.06517	1.1
103.05464	2.0
105.07045	2.3
105.59495	1.2
106.06562	2.5
107.04939	1.7
107.07335	1.4
108.08116	16.7
109.02878	1.4
110.09660	7.3
115.05383	1.4
117.06972	1.7
118.06568	1.9
120.04448	2.0
120.08093	13.4
121.06512	1.3
122.06028	8.5
122.09648	6.9
123.04427	1.4
124.07595	3.9
134.05981	4.2
134.09618	2.8
135.50760	1.3
136.07571	17.1
137.05956	4.8
138.09120	12.3
145.06454	1.5
146.06001	20.0
147.04384	1.8
148.07576	17.4
150.09116	6.6
151.07506	1.3
152.07059	4.5
152.96742	1.1
153.01837	3.0
156.38000	1.0
160.07541	6.7
161.06020	1.5
162.05501	2.2
162.09174	2.2
163.07568	1.3
164.07057	4.4
164.40826	1.0
166.08621	14.5
167.07033	11.9
173.05948	2.6
174.09114	2.1
176.07071	1.4
178.08626	2.0
180.10176	1.7
181.04938	5.7
184.09950	1.3
186.09221	1.1
190.05002	3.2
197.10782	2.2
198.11540	3.4
199.12260	1.7
209.10762	1.9
210.11519	2.4
211.12273	11.6
212.09317	1.2
212.13031	2.2
213.10309	1.3
213.13922	1.8
223.12296	6.3
224.13095	2.4
225.10277	5.7
225.13857	3.9
226.10896	3.0
227.11676	6.6
227.85303	1.2
229.13300	1.6
235.09431	1.7
235.12213	2.2
236.09497	1.4
237.10190	6.5
237.13889	3.7
238.10936	6.1
239.11768	17.4
240.12573	4.3
241.13373	3.9
249.10295	3.3
250.10980	3.7
251.11798	17.3
252.12624	5.5
253.09564	1.7
253.10609	1.2
253.13354	15.8
255.11252	3.3
255.14928	1.6
259.10736	1.0
259.14435	2.3
263.11749	8.3
264.12543	2.6
265.09692	5.1
265.13358	6.5
266.10458	2.7
266.14117	1.7
267.11264	8.1
267.14716	2.1
269.12949	1.8
271.10425	1.2
271.14355	4.6
277.09717	2.8
278.10513	1.9
279.11285	14.2
280.12027	3.1
281.12854	11.1
283.10379	1.2
283.14441	1.8
285.12317	4.8
291.11108	5.2
292.11725	3.1
293.12827	6.6
295.10788	1.8
295.14261	1.6
296.11502	1.8
297.12344	17.3
298.12823	1.6
299.13892	10.4
301.15451	2.3
309.12292	2.4
310.12759	2.8
311.13882	11.6
313.15463	2.2
319.10712	2.8
321.12289	3.1
322.13144	1.5
323.10437	1.9
323.13855	2.2
325.11700	2.1
327.13477	2.4
328.14526	1.2
330.15729	2.4
333.12115	1.6
337.11581	2.0
339.13303	2.7
340.14178	1.5
341.15091	1.2
343.16901	1.1
344.13852	1.6
344.17508	2.2
357.14017	1.5
358.15289	1.8
369.14737	2.4
371.11826	1.3
383.15732	2.3
385.12906	3.4
387.14627	2.7
395.16144	1.4
398.15134	1.4
400.16351	4.0
402.18176	1.8
404.19592	2.7
411.15463	4.1
412.16437	1.9
413.16782	3.0
414.18130	1.2
415.18759	2.2
417.15814	3.6
423.15485	2.0
425.16898	1.8
429.16190	2.4
430.17426	3.2
431.18170	2.7
441.16449	3.6
443.18130	1.8
446.20709	4.0
453.16547	2.0
455.18228	2.7
463.14481	1.2
469.15573	1.8
471.17526	4.5
472.18335	1.8
473.19119	3.3
474.20001	1.3
481.16083	5.3
514.62506	1.2
530.22455	1.5
548.24182	2.2
566.25323	5.5
572.23553	3.0
574.22260	2.5
578.24615	2.8
580.23865	2.6
586.22040	1.6
590.24567	3.2
592.22333	1.7
593.23553	13.7
594.24677	9.7
596.25562	2.3
604.23230	1.5
606.24640	12.5
608.25983	100.0
609.26593	16.4
610.27258	1.6
613.22894	2.2
616.22748	1.6
618.24335	2.6
620.22308	18.3
621.23413	5.9
622.23578	3.1
634.23981	21.9
635.24249	3.9
636.24933	1.8
652.24573	5.0
653.24976	1.6
713.31879	3.0
721.28113	2.1
731.32611	11.2
739.28870	3.6
743.28754	5.0
757.30548	15.1
775.28070	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.1
55.05512	15.7
57.03241	1.7
57.03439	18.9
57.07063	3.4
65.03938	3.0
67.05505	62.6
68.46002	1.7
69.03419	3.6
69.07070	12.4
71.04992	4.4
79.05062	3.4
79.05491	44.9
81.03419	85.6
81.07056	56.6
83.04962	8.8
83.08615	20.8
85.06537	3.0
91.05482	31.4
93.07049	43.3
95.04968	28.2
95.08605	44.0
97.02873	3.5
97.06516	7.7
97.10147	6.5
98.21532	4.8
99.08115	2.7
105.07033	30.1
107.04948	6.6
107.08603	25.8
109.06491	5.7
109.10151	20.3
111.08089	7.9
115.05512	2.6
117.07010	8.0
119.08572	25.7
121.06481	4.8
121.10129	19.3
121.52493	1.8
122.02790	2.2
123.08081	4.3
123.11715	5.1
125.09635	3.4
129.06992	9.7
131.08565	18.7
133.06462	6.3
133.10126	11.9
135.11659	15.5
137.09654	3.1
142.07732	2.8
145.10147	13.5
147.08011	3.1
147.11699	15.1
149.09618	4.1
149.13243	6.4
157.10124	10.4
159.11720	8.2
161.13274	4.9
163.11200	2.2
171.11655	3.1
172.79645	2.2
173.13245	4.4
175.11200	6.9
175.14870	2.2
187.14832	4.7
189.11105	2.4
193.12257	25.0
227.12769	8.7
237.46111	2.0
243.21034	3.8
249.14935	2.5
258.19452	2.3
261.22116	18.4
267.15918	100.0
268.16196	2.3
301.25250	7.0
309.16876	4.1
317.24728	4.3
317.85718	2.3
335.25797	75.9
336.26114	2.9
421.26007	3.5
435.32614	5.1
453.33661	9.4
471.34879	4.9
499.73682	1.9
509.36182	2.3
509.44705	2.6
527.37323	58.5
545.38361	36.9
559.40118	2.9
569.38965	2.6
611.05524	2.2
653.40320	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.4
55.05510	23.0
56.43570	2.0
57.03436	15.9
57.07063	2.1
65.03944	4.0
67.05500	67.0
69.03439	2.4
69.07057	17.3
70.70693	4.3
70.71089	5.0
71.04970	3.9
75.55263	2.0
79.05488	49.5
81.03415	82.6
81.07048	65.3
83.04961	9.4
83.08615	20.8
85.02942	2.1
91.05481	30.1
93.07032	43.3
95.04955	30.0
95.08609	46.6
97.06538	4.2
97.10168	7.6
105.07027	22.7
107.04933	8.0
107.08597	31.7
109.06519	7.0
109.10164	22.0
109.53141	2.1
111.08082	7.2
115.05446	2.7
117.07018	7.0
119.08578	27.6
121.06512	4.6
121.10142	27.1
123.08061	4.1
123.11691	7.4
125.09651	5.0
126.20898	2.0
129.06982	13.0
131.08562	23.9
133.06502	4.8
133.10138	15.6
135.07993	3.1
135.11650	13.7
140.67200	2.2
142.07758	3.7
145.10088	11.1
147.08022	4.6
147.11676	13.7
149.09712	4.8
149.13246	7.1
155.08504	3.2
157.10120	10.9
159.11693	6.7
161.13237	7.4
163.14828	3.5
165.12743	3.2
173.13272	6.7
175.11156	9.4
175.14848	2.7
184.07314	2.8
187.14835	5.7
189.11227	4.8
193.12228	24.1
227.12782	6.9
241.14322	2.1
243.21136	6.2
259.13437	3.8
261.22141	26.5
267.15909	100.0
268.16104	3.2
273.14651	2.4
281.20969	2.4
301.25134	5.1
317.24808	6.0
335.25781	97.5
336.26242	3.6
435.27225	2.8
435.32599	4.4
453.33514	9.9
471.34491	5.4
527.37201	54.0
528.37537	5.2
545.38330	34.3
569.37775	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	774.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	8.3
55.05510	31.5
57.03439	25.3
57.07062	5.8
59.39705	2.6
61.02930	7.1
65.03925	6.2
66.05073	3.0
67.05505	90.6
69.03427	11.2
69.07066	34.0
70.71323	6.6
71.04980	8.6
71.08629	3.2
73.02911	2.9
79.05491	80.0
80.05832	6.3
81.03417	68.9
81.07057	82.1
82.03747	5.1
82.07359	4.5
83.04980	26.0
83.08624	31.6
85.02903	29.4
85.06532	7.0
86.09682	4.1
91.05483	100.0
92.05802	8.4
93.07044	77.9
94.07408	3.8
95.04974	39.2
95.08601	41.7
97.02905	10.8
97.06536	17.1
97.10147	6.2
99.08146	4.9
103.05478	3.1
103.52246	3.0
105.07030	85.1
105.16314	3.4
106.07352	6.0
107.04977	13.7
107.08591	41.2
109.02779	3.4
109.06520	12.0
109.10160	24.6
110.06919	3.0
111.04453	6.1
111.08050	13.9
113.05953	3.5
115.05449	4.9
117.07034	22.2
119.08577	61.7
120.08927	4.2
121.06511	5.6
121.10139	25.5
123.08071	8.9
123.11684	8.8
125.00005	3.0
125.09653	4.8
127.03934	4.7
129.05429	3.6
129.07001	23.6
131.08569	35.1
133.06606	4.5
133.10123	42.7
134.10440	6.6
135.08043	4.9
135.11676	15.4
137.09618	3.7
137.13326	3.3
142.07788	5.6
143.08572	10.1
145.10123	27.2
147.11700	37.3
149.09579	14.9
149.13239	14.5
151.11185	7.3
157.10127	26.2
159.11717	16.2
161.13274	13.4
163.11221	7.8
165.12714	4.4
171.11696	8.9
173.11909	3.0
173.13260	9.7
175.11177	19.7
175.14845	5.2
184.07352	12.8
185.13297	8.2
189.11243	3.9
189.12779	3.3
193.12224	60.7
194.12621	3.8
195.13864	4.0
197.13425	3.4
199.14929	6.3
211.13306	64.6
212.13576	7.7
217.16003	3.6
227.12868	5.9
241.19653	14.1
253.14319	17.6
253.64853	3.2
254.14706	13.2
255.14766	2.7
257.18982	5.7
259.20578	43.4
267.15936	25.9
269.17493	12.6
273.18649	3.9
275.20120	15.0
276.20221	3.5
283.15414	5.0
285.16974	54.1
286.17398	7.2
287.17664	5.6
291.19510	4.8
292.19916	5.0
293.20963	11.4
315.23169	3.6
316.36942	3.1
333.24274	33.0
349.23727	6.2
366.23514	5.3
379.50836	2.9
433.30560	3.9
439.27280	3.4
451.31866	4.2
461.29077	7.0
464.26608	3.9
479.29767	17.2
481.27884	3.4
483.28430	4.7
525.35699	11.7
543.36823	22.1
559.35516	10.3
575.36237	3.4
576.36194	4.4
577.36658	11.1
775.38354	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	774.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	11.4
55.05306	5.5
55.05513	64.5
57.03434	18.7
60.20708	5.8
61.02930	8.3
65.03918	7.3
67.05507	71.5
69.03416	15.2
69.07063	24.5
69.41324	47.0
69.41732	13.5
71.04972	10.2
73.02915	7.3
79.05493	97.0
80.05842	5.9
81.03420	81.2
81.07054	81.9
81.07529	9.5
83.04965	22.7
83.08617	37.4
83.45802	6.0
85.02921	29.0
85.06543	7.0
86.09701	12.2
89.06019	12.8
91.05477	59.6
93.07041	54.0
95.04958	40.1
95.08596	17.8
97.02893	16.4
97.06516	9.4
97.10165	43.4
98.20708	6.0
105.07031	64.8
107.04951	17.4
107.08589	86.1
109.06508	7.6
109.10167	18.0
111.08086	17.1
113.05997	6.7
117.07018	15.7
119.08594	47.9
121.10142	25.3
123.08027	8.7
123.11737	6.6
125.09631	35.0
127.03915	7.4
129.07019	23.8
131.08595	25.5
133.10124	31.6
135.08069	11.5
142.07797	7.7
143.08540	9.3
145.10089	30.8
147.08018	11.5
147.11714	34.1
149.09631	17.7
153.09207	10.9
157.10149	19.1
159.11653	10.7
163.11259	7.2
173.11703	6.0
175.11214	15.7
184.07361	26.5
189.11240	26.9
193.12265	62.6
211.13329	87.7
213.30280	7.2
222.29138	6.4
227.12761	77.6
251.14909	5.8
257.19003	7.5
267.15997	41.6
269.17493	10.1
275.20074	71.4
285.16995	73.0
285.19891	10.6
331.22559	7.7
349.23685	56.0
425.53674	5.9
437.24948	8.3
439.26660	11.0
455.26334	21.9
505.13013	6.2
523.35193	8.0
541.35321	45.3
559.36371	100.0
560.36530	8.5
577.36658	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	774.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	11.6
55.05507	39.1
57.03440	27.7
59.04993	2.8
61.02928	6.5
62.98035	2.9
65.03949	6.2
67.05505	78.3
69.03432	13.9
69.07068	39.1
69.46886	13.5
69.47318	12.5
71.05000	8.1
79.05495	77.6
81.03420	86.8
81.07058	92.3
83.04988	30.6
83.08620	45.9
85.02900	35.2
85.06561	3.2
91.05487	84.7
93.07049	72.0
95.04973	45.6
95.08608	40.4
97.02886	7.5
97.06531	15.8
97.10172	16.7
98.20671	6.0
105.07030	66.4
106.07355	3.1
107.04957	17.7
107.08605	48.5
108.22372	3.6
109.02887	5.6
109.06535	17.6
109.10166	15.0
111.04423	6.5
111.08077	21.2
115.05454	3.3
117.07031	19.9
119.08601	47.4
121.06511	6.2
121.10166	24.1
123.08089	5.4
123.11730	6.0
125.09635	11.9
127.03934	3.5
127.07631	4.0
129.07039	22.9
131.08586	31.2
133.06519	8.3
133.10139	34.7
135.08040	6.4
135.11716	11.0
137.09656	3.3
141.06911	3.4
142.07756	4.1
143.08577	5.5
145.10175	14.8
147.08049	3.5
147.11682	26.2
149.09604	21.8
149.13213	7.4
157.10120	25.0
159.11710	11.5
161.13170	3.8
163.11221	12.9
165.12671	3.9
169.10190	3.1
171.11664	3.7
173.13292	5.9
175.11151	17.6
177.12766	6.4
183.11723	5.7
189.11168	7.1
193.12250	63.1
195.13818	6.2
211.13313	100.0
227.12788	15.0
229.14276	3.7
239.17953	5.9
255.16052	7.3
257.19052	12.0
267.15939	40.6
269.17426	22.0
275.20065	35.7
285.16986	95.5
286.17395	3.2
293.21194	6.0
312.87717	2.9
349.23773	37.7
362.71344	2.8
397.29318	3.6
447.27258	7.0
455.26401	5.8
461.29077	25.7
465.28348	12.7
479.30005	66.6
541.34985	15.6
559.36224	32.9
577.37097	4.2
623.34015	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	10.3
55.05508	37.8
57.03431	23.8
57.07063	4.7
61.02918	6.6
65.03928	7.7
67.05502	81.2
69.03430	12.2
69.07062	34.8
69.85530	15.3
69.85930	5.3
71.04991	7.7
73.02895	3.2
79.05062	5.9
79.05486	81.1
81.03411	62.3
81.06588	5.5
81.07054	91.4
81.41139	3.0
83.04988	24.9
83.08172	4.1
83.08613	28.1
85.02892	28.3
85.06526	6.1
90.69811	2.7
91.05476	100.0
93.07039	76.8
95.04962	42.2
95.08595	45.1
97.02880	9.4
97.06518	15.3
97.10151	7.4
99.08090	4.0
105.07030	76.4
107.04962	16.7
107.08588	37.5
109.06514	12.2
109.10146	20.4
111.08096	15.8
115.05463	4.7
116.04642	3.5
117.06998	22.8
119.07790	5.3
119.08572	60.8
121.06499	4.5
121.10134	27.7
123.08064	11.7
123.11722	4.3
125.09583	9.0
127.03878	7.1
128.06192	5.5
129.05458	10.3
129.06956	22.7
131.08556	36.9
133.06482	3.8
133.10130	57.8
135.08043	9.0
135.11684	13.2
137.09555	6.1
142.07782	5.2
143.08572	4.6
145.10115	25.6
147.07980	4.6
147.11688	42.4
149.09657	16.6
149.10654	3.3
149.13280	18.0
151.11147	5.3
155.08562	6.3
157.10107	20.6
159.10419	3.5
159.11600	18.0
161.13229	18.4
163.11147	6.3
163.14706	3.1
165.12752	5.5
169.10034	3.8
171.10266	3.3
171.11662	9.9
173.13243	10.7
175.11172	20.5
175.14789	4.6
177.12703	5.5
184.07280	9.8
185.13232	5.7
189.11195	5.7
193.12225	54.5
195.13840	6.1
197.13123	3.7
199.14876	4.2
211.13268	54.7
211.15222	3.6
227.12749	7.5
241.19478	13.5
253.14352	3.9
257.19104	10.0
259.20593	33.2
267.15912	24.5
269.17462	18.3
275.20102	16.6
283.15305	4.2
285.16977	57.9
301.16641	15.3
326.12582	3.1
333.24185	27.0
349.23779	9.4
403.66138	3.2
406.20178	3.2
433.30914	4.3
461.29083	3.7
477.28253	5.7
479.30032	19.6
507.33945	4.3
525.35742	6.7
543.36798	26.5
559.35852	7.2
577.37000	4.7
751.11182	4.5
775.38428	13.5
784.22406	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	9.5
55.05510	34.4
57.03437	29.7
60.19755	2.7
63.53365	2.6
65.03934	5.1
67.05502	82.5
68.14409	2.7
69.03438	12.8
69.07071	37.6
70.70988	3.2
70.71336	8.6
71.04982	11.7
79.05496	68.7
81.03419	88.3
81.06583	6.2
81.07055	100.0
83.04977	32.3
83.08624	31.1
85.02905	35.1
85.06525	7.3
86.09708	3.7
86.57280	2.7
91.05476	75.5
93.07040	72.3
95.04964	47.9
95.08598	33.6
97.02900	9.7
97.06525	18.7
97.10175	8.3
99.04475	4.6
99.08089	4.8
105.04523	3.8
105.07018	43.2
107.04972	17.9
107.08591	37.1
109.02885	3.0
109.06522	9.0
109.10166	9.8
111.04459	3.0
111.08104	19.7
117.07008	15.0
119.08584	42.8
121.06506	5.9
121.10144	24.6
123.08080	8.2
123.79443	3.0
124.99937	4.0
125.09668	3.9
127.03875	4.2
129.07011	19.4
131.08574	30.2
133.06543	3.3
133.10141	32.5
135.08061	7.8
135.11679	13.7
137.09544	5.1
142.07822	5.7
144.19757	3.2
145.10040	15.2
147.08105	5.0
147.11684	26.9
149.09612	17.4
149.13223	16.2
151.11183	4.7
157.10117	20.3
159.11719	14.2
161.13260	3.1
163.11165	11.1
165.12758	6.2
175.11192	21.0
177.12788	3.2
184.07387	8.6
193.12247	60.4
193.99925	3.4
195.13849	8.8
211.13280	89.3
217.85461	3.1
227.12776	4.9
255.15932	12.5
257.19101	8.4
267.15906	41.0
269.17471	48.2
275.20013	22.4
285.16965	82.3
285.20200	4.3
349.23587	15.2
441.52301	3.4
443.27744	3.7
447.27130	11.7
461.28995	30.8
465.28754	15.9
479.30035	89.4
480.30499	7.4
541.35248	5.9
559.36346	19.1
577.37250	4.3
781.94727	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	774.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.8
55.05506	30.5
57.03432	16.9
57.07092	2.7
58.76192	1.5
61.02911	6.2
64.72525	2.1
65.03922	5.4
66.24670	1.8
67.05503	100.0
68.05018	2.8
69.03426	12.5
69.07066	36.3
69.53033	10.1
69.53439	4.2
71.01357	3.3
71.04985	9.2
73.02900	3.4
79.05017	1.7
79.05489	60.3
81.03418	21.3
81.07053	99.6
83.04984	9.7
83.08619	27.3
85.02905	9.6
85.06536	7.6
87.04459	1.8
91.03951	2.3
91.05477	58.2
93.07043	71.6
95.04961	14.5
95.08602	42.1
97.02874	10.6
97.06525	14.7
97.09612	2.0
97.10155	9.1
99.08063	4.3
103.05543	2.2
105.07024	27.8
107.04935	6.6
107.08588	42.9
107.42902	2.0
109.02862	4.3
109.06499	7.1
109.10155	28.4
111.04434	2.6
111.08089	9.1
113.52311	1.7
115.05497	1.8
117.07010	11.9
119.08578	18.2
121.06496	6.1
121.10140	18.6
123.04449	1.8
123.08057	8.0
123.11684	7.8
125.09591	5.8
127.03899	5.7
129.05455	8.0
129.06969	3.0
130.07861	2.2
131.08572	22.1
133.10132	26.7
135.08018	4.5
135.11710	20.6
137.09618	10.1
143.08577	2.5
145.10123	7.1
147.08086	2.4
147.11658	7.0
149.09616	17.5
149.13251	16.1
151.11206	4.7
155.10643	2.0
157.10139	6.3
159.11671	9.9
161.09573	3.1
161.13200	2.7
163.11192	5.3
165.12680	3.1
173.11746	7.0
175.11182	2.9
177.12743	6.1
184.07335	3.9
185.11775	1.9
187.11407	2.0
187.13167	2.9
189.11223	2.9
193.12233	4.3
195.13805	20.0
199.13292	3.2
211.13220	2.5
213.14851	4.1
227.12758	2.9
229.14346	10.5
243.15910	7.9
253.14383	2.4
255.15880	7.7
257.19104	3.5
267.15909	6.2
269.17474	58.5
273.18466	4.1
275.20013	8.3
285.16910	4.2
291.19412	7.3
291.22736	2.8
299.14856	2.1
321.34897	1.8
349.23822	9.7
365.23047	6.0
365.27094	3.3
373.18549	4.4
423.27396	24.3
437.28967	8.8
449.28909	4.9
462.29785	3.7
463.30627	3.7
543.36719	13.3
559.36298	3.1
677.44244	1.9
756.34058	1.9
762.41760	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78126	7.9
55.05501	27.9
57.03429	12.3
57.07048	10.0
59.58684	9.0
61.02917	18.3
62.65370	8.3
66.14750	8.3
67.05495	80.5
69.07050	31.3
69.31229	90.9
71.04962	11.1
79.05486	60.3
79.30969	8.1
81.07032	56.7
83.08604	20.6
85.02904	22.8
91.05470	63.1
93.07024	61.3
95.04942	16.6
95.08591	56.6
97.02912	12.1
99.08142	8.6
105.07024	69.4
107.08576	31.4
109.10148	13.8
117.06998	23.0
119.08567	52.2
121.10134	33.0
131.08527	30.6
133.10101	32.9
135.11668	23.3
135.73584	9.1
139.43166	9.7
143.08543	16.8
145.10110	35.4
147.11659	35.0
149.13232	11.1
157.10046	14.2
159.11673	20.9
160.62973	8.5
161.13286	21.3
171.11674	25.6
173.13260	16.8
183.11664	13.6
185.13257	17.9
199.14864	10.1
241.19611	19.7
259.20535	35.1
333.24161	25.2
335.25650	28.3
355.83771	8.8
374.42484	9.7
375.26691	9.2
463.73337	10.2
611.46619	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	9.1
55.05502	28.4
57.03428	23.3
57.96818	6.7
61.02915	12.5
67.05165	10.0
67.05499	100.0
69.03414	14.1
69.07056	35.1
70.00073	6.4
71.05000	7.6
71.29809	16.2
79.05484	69.7
81.03399	17.1
81.07054	85.0
83.08606	17.8
85.02884	13.0
90.07783	7.5
90.48145	7.2
91.05466	76.7
92.86487	5.9
93.07031	76.9
95.04967	13.4
95.08592	76.5
97.02884	11.2
105.07013	61.3
107.08603	50.3
109.10149	24.5
117.06982	20.8
119.08579	51.2
121.10132	37.2
123.11631	8.4
123.44602	8.1
123.85747	6.6
128.06238	8.1
129.06990	19.4
131.08562	42.0
133.10130	37.5
135.11697	21.9
141.06979	9.1
142.07773	7.7
143.08548	23.3
145.10092	40.7
146.12018	7.0
147.11678	37.4
149.13231	16.2
155.08524	12.0
157.10121	26.7
159.11703	26.8
161.13223	30.6
163.14787	9.3
169.10164	8.2
171.11667	24.4
173.13281	22.0
175.14796	12.7
176.94810	6.7
179.04028	8.2
185.13293	10.9
187.14732	7.9
199.14880	14.3
241.19481	32.8
257.18903	7.3
259.20511	38.4
261.22092	10.7
333.24240	35.5
335.25790	60.8
593.45331	12.1
611.46399	89.6
617.38556	8.5
773.42444	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	773.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	2.7
66.03455	1.6
67.05506	4.0
69.03427	2.1
70.74567	1.7
70.87372	2.9
70.87711	3.6
72.88137	1.6
79.05497	5.3
80.05013	1.6
81.05807	1.6
81.07040	4.7
83.08622	1.8
85.02888	3.0
91.05464	7.2
93.05804	4.0
93.07037	8.3
94.06554	13.9
95.04955	3.8
95.07325	3.3
96.08119	5.9
97.02894	1.8
97.06548	1.7
103.05456	3.0
105.07048	2.7
105.56166	1.6
106.06540	3.1
107.04974	2.0
107.07319	3.5
107.08598	1.6
108.04481	3.7
108.08112	23.2
109.02881	2.2
109.06483	2.2
110.09676	9.1
115.05477	1.5
116.23535	1.4
118.06556	3.7
120.04491	6.9
120.08109	15.9
121.06464	2.5
122.06023	15.2
122.09687	8.3
124.07579	5.0
127.03934	3.9
130.06508	2.4
131.04944	2.5
132.08093	2.1
134.06018	10.1
136.07570	22.4
137.05948	5.7
138.09129	13.4
145.10165	2.4
146.06007	53.6
146.21361	1.7
148.07571	16.8
150.09171	7.0
152.07100	2.2
153.01852	7.7
158.05913	2.1
158.09641	2.0
159.11946	1.5
159.51021	1.8
160.03874	2.9
160.07585	2.4
162.05536	2.2
162.09126	2.0
163.07500	2.1
164.07014	3.1
166.08603	10.6
167.07088	8.8
168.08145	2.0
168.16885	1.5
172.03920	5.1
172.07527	2.5
173.08119	1.9
174.05482	2.7
176.07114	2.3
177.08965	1.6
182.09666	3.5
183.09198	2.6
184.09959	3.9
186.09154	3.4
187.07535	1.8
189.09018	1.9
190.04980	7.3
191.07057	1.8
195.09167	2.3
196.09865	2.2
197.10750	7.1
199.12350	11.4
209.10803	5.6
210.09346	2.2
210.11461	4.8
211.08665	6.3
211.12274	5.5
212.09344	4.2
213.10423	1.8
223.12175	2.1
224.09480	2.0
225.10184	12.8
226.10994	3.6
227.11784	58.4
237.10344	8.3
238.11020	6.5
239.11787	14.9
241.13300	8.0
245.12787	2.0
249.10292	4.6
251.11771	9.0
252.12569	3.3
253.09756	5.7
253.13330	10.4
255.11304	5.0
257.12863	4.1
263.11755	2.1
265.09909	3.4
265.13303	3.3
266.10123	1.9
267.11435	8.8
267.15900	1.9
269.12851	11.2
271.10706	3.7
271.14474	6.1
273.12378	3.4
275.11749	2.1
277.09784	2.2
279.11423	10.5
281.12863	10.1
283.10956	2.6
283.14456	3.4
285.12302	5.5
287.13968	3.4
295.10959	2.0
297.12305	11.0
298.13553	2.0
299.13922	26.7
299.16980	3.1
301.12466	2.5
302.12933	3.4
309.11996	2.6
311.13803	3.8
314.13016	7.7
315.13617	3.7
316.14279	8.8
317.15369	4.6
318.16046	3.8
319.29950	1.8
325.11929	3.1
327.13135	2.1
328.10788	3.7
328.14468	5.6
329.11472	3.3
329.15176	7.3
330.12387	2.7
330.15955	16.8
331.16797	11.6
339.13370	5.2
340.14545	2.0
342.12329	5.8
342.16010	3.3
343.13129	4.4
343.16916	2.9
344.13959	4.1
344.17654	3.9
353.15137	1.9
354.16074	3.4
355.12747	3.0
355.16806	2.6
356.13849	6.9
356.17703	3.3
357.14832	5.4
358.15540	14.0
359.16183	3.4
360.17068	4.2
369.14609	3.2
370.15491	4.9
371.16287	3.5
372.17007	16.1
373.17969	6.3
377.14700	1.8
378.18036	3.4
380.14087	2.0
384.17221	2.3
385.13800	2.1
386.14636	2.9
386.19003	2.6
388.16367	1.7
390.17874	5.0
394.15643	2.6
395.16165	6.4
396.16922	2.0
398.15085	12.7
399.15631	9.7
400.16617	4.4
413.17038	5.7
414.18210	8.1
415.18454	2.3
416.15619	3.9
417.15707	2.7
420.19257	3.3
431.18317	7.6
432.19022	6.8
441.16675	2.9
446.21194	2.6
462.20239	4.7
474.20090	5.4
492.21289	2.5
504.21252	3.7
505.22217	1.8
516.21387	2.9
522.22369	5.5
528.20984	2.7
534.22400	16.4
540.21307	4.7
546.22235	2.8
558.22156	7.8
560.20221	4.6
563.26868	1.9
564.23541	5.7
576.23578	21.2
594.24390	3.2
596.26086	4.6
602.20990	7.5
647.28320	2.2
659.31836	1.9
665.29510	4.9
669.29388	3.1
675.28168	3.5
683.30511	6.0
687.29895	8.0
693.28754	4.6
698.25983	2.1
701.31641	15.6
711.30170	22.2
713.27789	6.9
719.27118	2.1
727.28625	3.2
729.31219	100.0
730.31012	4.2
737.27686	3.5
755.16254	2.6
755.29126	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	772.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	11.5
55.05511	23.4
57.03432	13.6
57.07074	3.0
59.05002	3.4
61.02930	4.4
65.03929	5.3
67.05502	76.1
69.03431	4.0
69.07067	20.2
71.01343	4.4
71.04988	5.8
73.02898	3.7
79.05492	62.9
81.03413	33.0
81.07055	74.7
83.01350	2.8
83.04967	19.1
83.08627	11.5
85.02901	10.6
85.06557	5.7
86.04977	1.8
86.09688	2.0
91.05471	39.4
92.90782	1.8
93.07042	64.3
95.04966	19.3
95.08601	52.4
97.02908	11.1
97.06523	13.3
97.10167	5.7
98.20726	4.3
99.04456	4.4
105.07036	22.4
107.04948	17.8
107.08591	34.0
109.06517	15.0
109.10149	18.1
111.04427	36.6
111.08085	5.6
117.07008	17.6
119.08573	24.9
121.06487	10.2
121.10149	30.5
121.69896	1.8
123.04431	2.4
123.08062	9.5
123.11680	3.9
125.00072	1.9
125.05987	9.8
125.09633	7.2
129.06996	6.4
130.07823	2.6
131.04935	3.4
131.08571	19.2
133.10121	12.0
135.08011	3.5
135.11671	25.8
137.09549	4.3
143.08556	4.8
143.33458	1.8
145.10121	27.2
147.08052	5.8
147.11650	5.0
149.09596	3.5
149.13243	5.4
153.12724	12.7
155.08580	3.8
156.09322	1.7
159.11674	5.2
161.13298	5.3
163.11180	41.0
163.14801	3.1
167.14407	1.9
171.11726	3.1
173.09651	10.2
173.13295	5.7
181.12253	6.5
183.11714	2.3
184.07333	11.4
187.14835	2.1
191.10622	12.8
197.13216	2.5
209.11693	18.6
223.13283	27.4
227.12775	15.7
241.14348	49.8
241.16731	3.5
243.21046	3.4
259.20517	2.6
261.22107	9.9
265.14371	7.2
271.30923	1.8
283.15405	25.6
297.16971	2.4
299.23645	3.6
315.18018	73.4
317.24817	4.2
335.25793	100.0
336.26233	2.8
433.31519	2.1
434.15509	2.2
451.32092	4.0
469.33047	3.9
525.35773	13.0
543.36798	76.5
544.37012	4.7
561.37494	2.8
575.39417	66.9
610.45648	3.9
727.33643	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2125
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
57.03426	2.0
61.02906	0.6
68.99781	0.4
69.03420	1.8
69.94252	0.5
69.94669	0.8
71.04593	0.5
71.04984	9.0
73.02914	0.6
75.04469	0.6
81.03407	0.9
83.04967	1.3
85.02898	16.4
91.03931	0.3
95.04958	0.2
97.02873	1.8
99.04472	0.4
109.02847	1.0
111.00804	0.8
111.04440	0.9
114.65974	0.2
121.02863	1.0
123.04393	0.4
127.03880	1.9
129.05470	3.8
137.02338	2.4
145.04951	1.6
147.06503	2.0
149.02348	0.7
153.01801	3.2
155.04810	0.2
161.06003	0.3
163.03883	0.6
163.05989	0.5
165.01843	1.7
166.02353	0.3
167.30013	0.2
169.54497	0.2
173.05933	0.3
175.77588	0.2
183.02855	1.0
191.03285	0.3
201.05458	1.2
229.04965	3.6
247.06047	0.7
257.04391	2.8
261.04175	0.3
274.04810	0.5
275.05511	0.3
285.03937	1.0
303.04959	100.0
304.05289	1.9
332.48209	0.3
345.05884	0.8
369.05939	0.2
437.09515	0.3
446.53491	0.3
447.09442	0.4
465.10257	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	7.0
55.05508	24.8
55.61943	1.5
57.03434	15.8
57.07083	2.6
58.80665	1.7
59.04998	3.0
59.12224	1.6
61.02915	5.3
65.03931	3.3
67.05500	71.4
69.03436	2.6
69.07066	18.6
69.94131	9.0
70.07362	1.5
70.11214	1.6
71.01350	4.1
71.04984	9.0
72.79536	1.7
79.05014	1.9
79.05489	60.8
81.03413	30.5
81.07052	71.3
83.01340	3.0
83.04975	14.2
83.08624	10.6
85.02913	9.6
85.06520	5.3
91.04906	2.4
91.05473	41.2
93.07038	65.7
95.04958	17.9
95.08601	54.7
97.02885	11.1
97.06524	10.5
97.10144	4.8
98.21330	2.7
99.08113	1.7
103.05437	2.5
105.07024	25.2
107.04951	16.7
107.08590	39.2
109.06512	11.7
109.10155	17.4
111.04433	27.8
111.08053	6.7
113.05955	2.2
117.07027	14.4
119.08572	20.2
121.06508	4.3
121.10143	28.4
123.08010	8.3
123.11678	6.0
125.00024	2.0
125.05976	7.8
125.09633	2.2
129.06985	5.2
131.08542	18.0
131.35187	1.7
133.10121	11.2
135.08034	4.1
135.11697	21.3
137.09595	2.5
143.08549	2.5
145.10107	29.2
147.08061	2.4
147.11659	5.5
149.09651	3.5
149.13260	5.5
153.12746	8.1
155.08612	2.6
157.10114	2.7
159.11678	4.6
161.13208	3.9
163.11169	32.3
165.09138	2.3
173.09628	7.7
173.13319	2.1
181.10132	2.0
181.12216	5.0
184.07335	6.4
187.14944	1.9
191.10648	6.9
193.12167	1.8
209.11656	12.1
215.14340	1.8
223.13277	21.4
227.12756	11.8
241.14296	33.2
261.22086	8.5
265.14322	7.1
267.16046	2.5
283.15411	19.3
297.16864	2.3
299.23752	3.8
313.99924	1.8
315.18002	44.3
315.52362	1.7
317.24542	3.4
327.76575	1.9
335.25766	100.0
336.26202	2.5
398.55765	1.6
451.32205	2.6
469.33029	2.8
525.35706	9.9
543.28351	3.1
543.36755	65.0
575.39374	94.1
576.39526	4.4
670.02570	2.0
749.47076	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	13.7
55.05510	47.0
57.03438	22.1
59.04975	4.2
61.02929	5.9
65.03938	6.2
67.05178	5.4
67.05507	88.0
69.03426	19.2
69.07076	35.9
69.32629	33.4
71.04981	12.6
73.02886	4.8
79.05489	91.2
80.38078	3.4
81.03411	65.4
81.07058	100.0
83.01335	8.5
83.04980	27.0
83.08614	37.6
85.02905	22.8
85.06526	9.5
91.05479	86.0
91.06005	2.3
93.07046	86.5
95.04978	40.8
95.08610	43.4
97.02886	15.3
97.06543	17.7
97.10174	22.1
98.89710	4.1
99.04431	5.7
105.07028	67.2
107.04946	24.7
107.08586	50.8
109.02881	3.8
109.06498	15.5
109.10159	30.4
111.04442	6.8
111.08068	8.7
117.07032	19.8
119.08602	45.3
121.06506	13.8
121.10133	22.3
123.08064	7.2
123.11684	6.6
125.09621	12.6
129.06987	17.9
131.08585	27.1
131.15500	3.7
133.06512	7.6
133.10126	52.7
135.08054	14.1
135.11681	22.5
136.84285	3.6
137.09637	6.0
143.08549	6.8
145.10100	27.8
147.08060	10.5
147.11671	18.6
149.09610	17.5
149.13229	6.4
151.11192	12.0
157.10121	17.0
159.11707	10.9
161.09634	5.3
162.89479	3.6
163.11198	24.8
171.11685	5.0
173.04497	6.4
173.09602	4.4
175.11116	11.8
177.12764	5.2
181.12206	5.4
191.10686	4.7
193.12241	42.6
209.11713	4.6
211.13304	51.5
223.13274	12.4
226.94571	3.6
227.12798	16.9
239.07991	3.8
249.41345	3.6
253.14349	42.6
257.19077	6.8
267.15894	20.4
269.17480	16.1
273.18463	29.2
275.20108	18.2
283.15390	56.5
285.16946	48.6
291.19510	86.3
347.22165	9.1
349.23828	16.1
365.23251	45.8
463.26770	16.2
477.28412	58.9
477.34732	7.8
499.30295	4.2
539.33667	5.8
557.34839	50.7
575.35870	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	772.447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	12.0
55.05511	29.0
57.03431	18.8
57.07054	2.6
59.05019	4.3
61.02927	3.0
65.03947	3.6
67.05502	49.5
69.03424	7.2
69.07071	23.0
70.03115	7.1
71.05007	10.2
71.05319	1.9
72.35724	1.9
77.57298	2.3
79.05489	56.5
81.03411	25.5
81.07057	65.3
83.01344	12.7
83.04986	18.6
83.08620	21.6
85.02917	8.1
85.06532	3.9
89.89720	2.1
91.04916	2.2
91.05481	49.6
93.07043	60.8
95.04970	22.4
95.08610	24.2
97.02892	8.2
97.06535	14.8
97.10174	6.4
99.04449	2.9
100.15252	2.2
105.07033	33.0
107.04932	14.8
107.08585	34.6
109.06521	15.1
109.10162	9.6
111.08083	9.3
117.07014	21.5
117.52429	2.2
119.08570	25.4
121.06502	7.5
121.10146	17.3
123.08085	12.8
123.11689	4.8
125.06095	2.2
125.09657	4.1
128.18335	2.0
129.07005	6.5
130.07805	3.6
131.08574	15.2
133.06483	2.8
133.10124	21.6
135.08070	6.2
135.11707	22.5
137.09705	2.4
143.08546	2.6
145.10121	25.7
147.08037	4.5
147.11697	9.0
148.17990	2.0
149.09628	7.9
149.13277	9.0
151.11191	4.4
153.12714	2.9
154.21986	2.1
157.10248	4.7
159.11676	13.3
161.13255	2.4
163.11171	26.4
173.09657	3.2
173.13245	2.6
177.12764	2.5
181.12262	5.0
184.07298	5.3
191.10681	4.7
193.12222	4.5
195.13837	6.6
209.11778	10.0
211.13286	5.1
227.12752	11.2
253.14323	7.7
255.15923	9.7
256.56766	2.3
257.18967	3.5
267.15887	2.7
269.17444	27.9
273.18564	3.8
275.20193	14.1
283.15402	83.9
285.16879	4.2
291.19537	5.9
349.23691	12.9
353.78146	2.8
365.23203	5.7
367.24792	2.5
439.80597	2.3
447.04260	2.7
463.26831	20.7
477.28494	100.0
535.78217	2.3
557.34833	15.2
573.57715	2.6
575.35614	8.5
670.29523	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	772.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	9.9
55.05503	24.4
57.03439	16.0
61.02916	3.0
65.03922	3.1
67.05502	65.9
69.03438	9.9
69.07072	20.8
70.19333	3.0
70.19738	7.0
71.04998	9.4
79.05492	51.1
81.03416	57.9
81.06581	3.5
81.07053	68.8
83.04980	19.9
83.08614	22.6
85.02911	21.6
85.06535	6.2
91.05479	74.5
93.07044	50.6
95.04958	29.3
95.08608	24.6
97.02884	7.0
97.06530	11.4
97.10181	6.0
98.21480	2.0
99.04425	2.0
99.08086	2.0
105.07030	59.3
107.04955	13.7
107.08596	39.7
109.06522	11.1
109.10154	47.9
111.04441	3.9
111.08103	11.7
113.06000	3.3
113.14712	1.6
115.05431	4.3
117.07009	9.3
119.08581	27.2
121.06496	10.9
121.10096	10.8
123.08053	5.1
123.11681	10.1
125.09588	2.6
127.07569	3.7
128.06233	2.8
129.06990	14.0
131.08553	22.0
133.06488	6.9
133.10127	75.8
135.08025	7.0
135.11668	3.3
137.09619	3.3
142.07787	3.2
143.08556	4.6
145.06503	2.0
145.10126	8.9
147.08035	6.6
147.11705	16.2
149.09612	10.3
149.13292	2.2
151.11174	32.1
155.08537	2.4
157.10114	12.6
159.11691	2.7
161.09636	7.8
163.11180	2.5
165.12788	3.4
169.12270	4.9
171.11714	3.9
175.11163	16.6
179.10808	2.0
181.08595	1.8
185.13303	2.3
193.12244	43.9
211.13277	62.1
215.12753	4.7
223.13214	2.6
227.17929	2.5
245.18976	5.3
251.12866	2.7
253.14346	100.0
263.20007	3.9
267.15915	22.5
271.15378	4.6
273.18457	23.1
285.16943	60.7
287.20294	2.1
291.19510	28.3
309.20569	1.8
346.34109	2.0
347.22144	11.3
365.23273	31.8
461.24976	2.8
463.26984	18.7
465.29565	1.9
481.27921	28.4
539.33569	3.8
557.34717	18.6
575.35730	40.8
576.36102	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00892	0.8
55.01870	2.0
55.05511	14.3
57.03434	5.0
57.07059	2.9
61.02923	16.3
65.03926	1.3
67.05504	24.7
68.62907	0.8
69.03423	10.1
69.07062	10.6
69.41052	2.4
69.41472	5.4
71.01350	1.9
71.04986	3.1
71.08613	0.9
73.02907	9.4
79.05490	20.0
81.03425	6.6
81.07056	26.3
83.04972	1.9
83.08618	6.8
85.02914	12.4
85.06523	1.6
88.98286	0.9
91.03963	8.5
91.05479	18.1
93.07045	21.9
93.07635	1.5
95.04966	5.1
95.08607	21.9
97.02901	12.7
97.06536	2.6
97.10148	3.0
99.04466	1.5
99.08103	1.1
101.02377	1.3
105.07027	17.3
105.07685	1.3
107.04944	1.6
107.08598	12.2
109.02878	1.4
109.06507	1.7
109.10144	8.8
111.08066	1.8
114.91655	0.8
115.03921	0.9
115.05466	2.0
117.07018	9.8
119.08576	12.8
121.06539	1.0
121.10130	7.6
123.08050	1.9
123.11710	2.9
125.09623	1.3
127.03920	2.4
128.06213	3.3
129.06998	10.4
130.07791	1.1
131.08571	14.2
133.10115	9.5
135.08057	1.9
135.11737	4.3
137.09526	1.2
137.13235	1.3
141.07024	6.4
142.07797	3.9
143.08549	14.5
145.10121	12.4
147.08032	1.0
147.11700	6.6
149.02361	1.2
149.13258	3.0
151.07594	0.9
153.06993	2.6
153.33914	0.8
154.07782	1.2
155.08553	11.8
156.09335	2.1
157.10136	12.7
158.10884	1.1
159.11678	7.9
161.09616	0.7
161.13228	2.2
163.14815	1.2
165.07036	1.2
166.07730	1.2
167.08551	5.2
168.09396	1.3
169.10115	12.1
171.11668	9.6
173.13225	6.4
175.14862	1.9
178.07736	0.9
179.08537	2.3
181.10115	7.7
183.11699	11.8
184.07314	1.5
184.12355	1.1
185.13242	8.8
187.14777	2.7
189.16367	1.4
191.08662	1.0
193.04947	1.3
193.10141	4.1
193.11914	0.8
195.11678	8.4
196.12407	1.2
197.13264	10.1
199.14838	4.9
201.16386	1.3
203.17824	1.0
205.10086	1.3
206.10942	1.0
207.11731	3.5
209.13228	7.9
211.14877	5.2
213.16420	3.2
219.11633	1.1
221.13297	3.6
223.14821	4.9
225.16486	3.9
227.17990	2.2
231.17975	0.8
233.13368	1.5
235.14830	2.7
237.16423	4.6
239.17969	2.7
241.19644	2.1
249.16422	1.1
251.17874	2.2
253.19464	1.5
259.20444	0.9
261.22083	1.4
265.19412	1.7
267.21161	1.0
279.21078	0.8
283.20676	1.1
293.22565	1.0
299.19989	1.2
311.23709	1.1
321.21951	1.2
323.23996	1.1
335.25845	1.1
337.25079	1.5
347.23636	0.9
349.25122	2.0
351.26920	1.7
363.26776	1.7
365.28314	1.4
391.30237	1.3
413.94962	0.9
447.32471	0.8
461.33734	1.0
501.35999	1.1
517.40515	7.6
521.35724	1.1
527.37128	2.2
535.41345	3.5
539.37543	1.4
540.37555	1.0
541.38898	2.0
545.38446	2.3
553.41107	1.0
558.26697	1.0
591.44220	6.6
607.43317	2.9
609.45111	100.0
610.45270	5.3
621.44391	1.5
624.86548	0.9
699.45917	1.4
717.47253	1.4
735.48096	1.6
753.48773	2.0
771.50482	16.1
772.50598	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.8
55.05512	11.8
57.03441	5.2
57.07073	1.4
59.82557	0.5
61.02925	15.4
65.03937	1.4
67.05502	21.2
69.03429	7.6
69.07065	9.1
71.01356	1.4
71.04984	1.9
71.08607	0.7
71.58542	0.7
72.57015	0.5
73.02916	9.2
79.05488	14.9
81.03420	4.5
81.06580	1.3
81.07056	22.1
83.04990	1.2
83.08630	5.2
85.02903	13.1
85.06558	0.8
87.04433	0.5
91.03960	7.5
91.05479	13.4
91.06016	1.1
93.07040	15.8
95.04988	3.5
95.08604	18.1
96.89363	0.7
97.02882	13.2
97.06532	1.6
97.10171	2.1
99.04446	1.9
99.08086	1.1
101.02379	2.8
105.07022	13.6
107.04966	1.1
107.08595	10.5
109.02875	1.0
109.06534	0.8
109.10155	8.4
111.08050	1.0
113.79478	0.6
115.03954	1.1
115.05465	1.4
117.07018	8.2
119.08582	15.3
121.10151	7.7
123.08046	1.3
123.11723	2.2
125.09657	1.0
127.03922	2.4
128.06186	3.1
129.06995	10.4
130.07788	1.1
131.08563	12.7
133.10129	7.9
135.11693	5.1
137.09671	1.0
137.12300	0.6
137.13254	0.9
141.06953	5.0
142.07770	3.1
143.08542	11.9
144.09274	0.8
145.04997	0.8
145.10124	11.4
147.11684	5.4
149.09647	0.7
149.13275	1.8
153.06984	1.3
154.07747	1.1
155.08560	11.2
156.09343	2.3
157.10126	13.7
159.11694	8.5
161.13269	2.9
163.14783	0.9
165.07040	1.3
166.07803	1.4
167.08565	4.6
168.09375	1.8
169.10123	13.2
170.10944	1.0
171.11697	11.3
173.09700	1.0
173.13214	5.0
175.14908	2.3
178.07727	0.9
179.08600	1.9
180.09363	0.9
181.10135	7.2
182.10904	1.1
183.11687	11.6
183.13205	0.9
185.13257	8.2
187.14793	3.6
189.16414	1.3
193.10135	2.2
194.10977	1.3
195.11676	8.0
196.12410	1.1
196.82780	0.5
197.13275	9.9
199.14862	5.5
201.16370	1.6
205.10207	0.7
207.11667	3.4
209.13297	6.7
211.11334	0.6
211.14806	6.6
213.12773	0.7
213.16412	3.1
215.17978	0.9
219.11723	1.4
221.13301	2.3
223.14848	4.9
225.16422	4.1
227.17961	1.8
233.13345	1.1
235.14757	3.5
237.16383	2.9
239.14397	0.7
239.17958	1.6
241.19788	1.1
247.14757	0.7
249.16338	1.7
251.18021	1.7
253.19672	1.3
253.99123	0.6
257.18964	0.9
265.19684	1.7
267.21503	0.6
277.19504	0.9
279.21008	0.8
283.20648	0.7
291.20911	0.8
294.74014	0.6
295.20520	1.0
295.23770	0.7
297.22318	0.8
299.20389	0.6
299.23767	1.0
301.21725	0.6
305.22632	0.8
315.18210	0.8
321.22189	1.4
323.23703	1.1
325.21609	0.7
325.25085	0.8
337.25272	1.2
339.23117	0.9
339.26791	0.9
341.24817	0.6
349.25339	1.3
351.26755	1.4
353.28580	0.7
363.26727	0.8
365.24615	0.8
365.28500	1.5
367.26205	0.8
379.29990	0.8
381.27911	0.7
393.27325	0.8
393.32071	0.7
433.30756	0.7
435.32550	0.7
447.32953	1.2
459.29678	0.6
461.33853	0.7
473.32770	0.8
481.61108	0.6
485.33636	0.8
513.36176	1.0
515.37445	0.8
517.40460	6.2
521.36542	0.9
523.38483	0.9
525.35193	0.7
527.37207	0.9
529.40417	0.9
535.41412	4.2
539.37482	1.5
541.39221	1.2
567.40582	0.7
573.42755	1.1
591.44055	6.3
607.43445	2.4
609.45087	100.0
610.45642	3.5
611.46558	1.3
621.45319	1.0
633.45685	1.0
639.45557	0.6
651.46289	1.3
675.46106	0.9
717.47296	0.7
735.47699	0.8
753.49347	1.5
771.50763	15.2
772.50421	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.1
55.05513	19.0
57.03436	10.3
67.05505	53.6
69.03426	10.2
69.07082	21.7
71.04996	8.4
71.58768	3.8
79.05492	71.4
81.03419	14.5
81.07053	71.7
83.04970	18.7
83.08614	9.9
85.02907	4.5
85.06561	6.8
86.09697	20.8
91.05482	58.5
93.06460	3.3
93.07035	63.7
95.04957	20.9
95.08607	32.0
97.02882	4.6
97.06536	15.7
97.10176	4.1
105.07021	53.2
107.04957	10.2
107.08593	31.7
109.02890	6.5
109.06525	10.1
109.10155	15.1
109.15800	3.0
111.08080	8.2
115.05621	3.5
117.07024	15.9
119.08559	26.5
120.08121	8.1
121.10158	11.4
123.08088	5.1
125.09615	6.7
127.03928	3.5
129.06990	14.8
131.08585	17.5
133.10124	28.2
135.11681	10.8
143.08583	7.7
145.10097	15.1
147.11681	26.9
149.09616	10.5
149.13266	5.0
153.01842	6.2
157.10172	4.3
159.11673	11.4
161.13255	11.7
163.09846	2.9
163.11224	11.0
171.11665	16.2
173.04471	4.7
185.13156	4.5
189.12749	7.6
207.13779	18.1
227.12880	6.8
253.14273	12.1
255.15831	8.8
257.18994	10.4
267.15854	4.5
269.17505	14.5
275.20071	27.6
279.48553	3.1
281.17447	51.4
322.43814	3.3
326.82001	3.2
349.23914	17.9
350.76205	3.1
461.29071	25.7
475.30554	100.0
555.37006	31.7
556.82776	4.3
573.34534	9.5
598.59515	3.9
649.27203	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	770.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.6
55.05506	22.4
57.03440	8.1
57.07065	1.9
61.02919	1.9
67.05504	63.0
69.03433	7.8
69.07066	20.1
71.04986	6.1
71.58249	2.1
78.14703	1.8
79.05494	50.4
81.03408	15.1
81.07052	71.9
83.01339	4.2
83.04977	19.5
83.08622	11.3
85.02889	3.7
85.06531	6.7
86.09719	5.4
91.05480	59.5
93.06471	3.7
93.07042	59.4
95.04965	19.5
95.08009	1.3
95.08594	25.9
97.02876	4.6
97.06527	9.3
97.10183	4.4
99.04462	3.3
102.06860	1.6
103.05457	2.2
105.07026	47.7
107.04949	12.1
107.08591	39.1
107.52835	1.8
109.02878	1.9
109.06526	8.9
109.10148	38.3
111.04456	2.5
111.08090	5.7
117.07035	12.0
119.08579	20.3
120.08099	2.0
121.06489	6.8
121.10133	10.0
123.08071	6.2
123.11729	7.4
125.09615	2.9
127.03918	1.9
127.07571	3.1
128.06226	3.1
129.07021	8.5
131.08536	11.4
133.06464	4.4
133.09113	2.7
133.10127	51.4
133.11092	3.8
133.66948	1.9
135.07999	4.3
135.11699	10.3
143.08568	6.1
145.10109	17.0
147.08073	3.3
147.11700	12.8
149.09610	8.2
149.13338	3.9
151.11176	25.0
153.01659	2.1
154.15898	2.2
157.10146	3.7
159.08058	2.9
159.11676	4.4
161.09631	7.3
161.13289	4.2
163.11183	11.8
169.12173	4.0
171.11688	7.6
173.09650	3.4
173.13272	3.0
175.11151	2.6
177.09207	1.8
177.12842	2.5
179.10727	1.9
189.12746	5.4
195.13905	2.8
202.69266	1.9
207.13831	9.1
209.11760	3.2
215.12666	1.9
226.57275	1.8
227.12709	2.4
227.17990	2.1
231.13736	1.8
245.19089	4.0
251.12802	2.2
253.14348	100.0
254.14619	1.8
257.19147	1.8
263.13730	1.6
263.20068	2.0
269.17560	7.1
273.18463	20.6
275.17331	1.7
275.20013	10.9
281.17484	18.5
283.15402	36.3
291.19513	17.1
309.20575	1.9
347.22061	5.0
349.23676	4.7
365.23282	19.2
461.29031	11.1
475.30566	48.9
476.30078	1.8
479.26517	17.4
555.35925	8.1
573.34167	35.6
574.34833	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	770.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80087	3.4
55.01850	10.6
55.05510	27.5
57.03428	12.3
57.66066	4.1
61.02889	4.8
67.05503	78.9
69.03423	6.1
69.07070	23.8
69.57976	33.8
75.16950	4.1
79.05494	91.9
81.03427	19.8
81.07053	79.4
83.04980	16.3
83.08616	13.4
85.02897	8.3
85.06544	5.4
91.04962	7.8
91.05482	79.2
93.07046	100.0
95.04958	26.4
95.08601	43.7
97.02868	7.6
97.06524	15.2
105.07034	66.2
107.04942	10.0
107.08588	32.2
109.06512	10.1
109.09424	4.0
109.10147	15.0
117.07019	18.7
119.08584	45.2
121.06499	5.7
121.10144	15.4
123.08041	8.5
129.06993	18.9
131.08580	18.3
133.10129	26.9
135.11670	8.6
143.08577	17.2
145.10112	21.7
147.08063	6.1
147.11668	53.5
149.09604	6.4
149.13232	11.1
151.11180	5.0
153.01907	5.1
159.11688	14.3
161.09607	5.0
161.13249	21.3
169.10121	6.7
170.12152	3.9
171.11702	24.8
173.13301	7.8
177.12766	4.0
184.07336	10.2
189.12787	6.5
195.13806	5.8
199.14815	5.6
207.13806	23.6
215.67361	4.2
241.19473	8.8
246.09019	4.0
259.20602	19.6
269.17453	8.0
275.20114	7.8
281.17502	49.7
285.10028	6.6
293.20877	5.2
333.24225	15.9
349.23358	6.1
352.99405	4.7
390.66858	4.7
407.73373	4.8
475.30569	31.8
539.37262	27.6
557.38617	5.5
573.37061	9.3
591.66504	5.5
611.46277	8.7
612.83856	4.4
707.85205	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	770.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	12.0
55.05511	20.5
57.03434	10.5
57.07072	2.3
59.04992	2.2
61.02925	2.7
65.03941	2.7
67.05505	45.1
69.03422	4.4
69.07066	12.9
70.10465	4.6
71.04984	5.4
73.02915	1.0
76.55578	1.2
79.05493	39.7
81.03411	10.2
81.07054	47.5
83.01352	5.6
83.04986	16.3
83.08616	9.2
85.02889	4.4
85.06541	4.0
91.03934	1.9
91.05482	47.0
93.07040	38.3
95.04970	13.5
95.08597	14.9
97.02895	3.7
97.06514	5.4
97.10180	2.5
99.04456	2.4
103.05510	1.2
105.07031	40.0
107.04952	9.4
107.08594	33.9
109.06525	10.8
109.10153	43.1
111.04439	1.3
111.08076	3.3
113.05982	2.0
117.07016	11.0
119.05024	1.4
119.08587	13.7
119.62215	1.1
121.06507	7.2
121.10160	7.8
123.08062	7.6
123.11678	8.3
125.06007	2.2
125.09629	2.7
128.06186	1.3
129.06992	3.7
130.18076	1.2
131.08554	11.2
133.06473	2.8
133.10132	56.7
135.08046	5.1
135.11678	9.9
137.09575	2.1
139.07558	1.3
143.08594	3.6
145.06488	1.6
145.10118	17.4
147.08044	3.9
147.11685	3.8
149.09633	5.0
151.11188	26.2
153.12758	2.1
155.08580	1.3
157.10132	1.5
159.08067	1.8
159.11743	3.1
161.09607	5.9
161.13205	2.3
163.11186	17.2
165.12753	1.2
169.12231	5.1
171.11740	2.0
173.09698	2.6
174.61667	1.2
175.11188	2.4
177.09074	1.6
181.12193	2.6
181.90753	1.1
185.13286	1.3
189.12788	1.2
191.10661	1.8
192.77797	1.1
209.11667	5.8
215.12793	3.9
223.13190	1.5
227.12805	4.7
245.18929	3.9
251.12781	2.3
253.14348	100.0
253.80440	1.1
255.17493	2.1
263.20090	3.1
273.18488	19.2
283.15402	60.2
291.19540	22.0
309.20364	2.3
347.22021	6.3
365.23236	20.3
475.30487	1.4
477.24896	4.1
479.26425	45.3
555.32977	4.8
573.34174	43.1
574.34711	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	8.5
55.05511	24.4
57.03434	9.7
57.07069	1.0
59.04990	2.1
61.02913	2.2
61.16624	0.9
61.89438	0.8
65.03927	1.7
67.05502	24.6
69.03429	8.8
69.07067	24.8
70.81615	2.0
70.81950	1.9
71.04996	2.7
73.02904	1.0
79.05491	30.2
81.03419	11.9
81.07053	23.4
83.01334	5.6
83.04986	8.1
83.08620	11.4
85.02902	5.0
85.06548	1.4
91.03928	1.1
91.05477	20.1
91.06017	1.5
93.07040	27.4
95.04974	11.6
95.08612	13.5
97.02885	9.6
97.06528	5.9
97.10166	9.8
99.04456	3.6
103.05474	1.3
105.07035	15.2
107.04954	11.9
107.08596	14.9
109.06540	6.2
109.10171	8.6
111.04427	2.3
111.08067	2.8
112.62527	1.0
115.05502	1.1
116.06249	1.1
117.07017	9.1
119.04903	1.4
119.08578	13.1
121.06500	5.0
121.10155	7.6
123.08054	8.1
125.05949	1.7
125.09625	8.4
127.03942	1.1
129.07005	3.7
130.07764	1.4
131.08586	8.9
133.06488	2.3
133.10146	6.1
135.08075	3.7
135.11671	8.3
137.09599	3.0
143.08575	3.3
145.10129	14.3
147.08083	7.4
147.11696	3.1
149.09633	2.9
149.13306	1.6
151.11162	1.2
153.12793	1.2
155.08626	2.1
157.10188	1.6
159.11713	2.3
161.09621	3.1
161.13300	1.3
162.94037	0.9
163.11171	15.9
165.09132	1.0
169.10208	1.4
171.11679	1.6
173.09567	2.2
175.11070	2.1
177.12675	1.1
178.37274	0.9
181.12227	1.8
184.07375	2.0
189.11240	3.0
191.10519	1.3
195.13815	1.4
203.69832	1.0
205.12172	1.8
209.11652	4.8
223.13278	16.4
227.12782	8.6
245.19112	1.4
249.14847	3.2
253.14302	1.1
255.17554	1.4
267.15921	1.5
273.18518	14.2
274.18808	1.2
283.15390	70.2
284.15839	1.7
291.19534	100.0
292.19937	2.8
320.96213	1.0
347.22162	2.1
365.23215	39.1
453.24554	1.2
457.15482	0.9
493.27914	3.2
541.35150	2.1
555.33154	3.2
573.34229	85.9
574.34332	3.9
608.43658	1.3
630.95703	1.0
648.84900	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88153	4.1
55.01870	26.8
55.05271	4.8
55.05512	56.8
57.03437	28.4
59.04994	3.7
61.49012	3.7
64.98778	3.8
65.03942	9.0
67.05503	100.0
69.03426	34.1
69.07056	19.0
69.49633	36.5
71.01335	5.7
71.04981	18.5
73.02901	7.7
79.05485	69.7
81.03412	91.8
81.07053	52.7
82.04183	7.8
83.04968	29.4
83.08614	24.7
85.02895	22.0
91.05484	51.8
93.07035	45.1
95.04958	34.7
95.08627	28.8
95.86755	4.6
97.02894	30.0
97.06523	19.9
97.10155	38.9
98.03664	13.4
98.07291	12.4
99.04475	10.4
105.07025	28.2
107.04954	17.4
107.08582	41.9
109.02869	13.7
109.06498	9.3
109.10163	52.4
110.07266	8.2
111.04433	7.8
111.08069	9.8
115.05457	6.2
116.04705	10.1
117.06992	14.0
119.08585	28.9
121.06490	7.2
121.10152	22.2
123.04443	12.9
123.08043	8.0
123.11663	6.0
125.05975	4.1
125.09624	38.0
127.03881	13.8
129.05458	29.0
129.06996	7.7
131.08548	23.8
133.10127	16.4
135.08072	8.6
135.11673	17.5
137.09625	9.8
143.06989	5.4
143.10648	5.4
143.37839	4.1
145.10089	23.9
147.11697	11.8
149.09550	8.9
151.11133	6.2
153.01794	17.7
153.09094	7.0
153.12662	5.6
157.08629	9.0
157.10020	5.9
163.11177	28.1
173.04443	20.2
173.09651	7.2
173.11742	12.8
175.11205	6.1
181.12209	5.3
189.11197	12.7
191.10677	9.0
193.12265	13.2
199.05913	8.1
199.13283	15.1
209.11667	13.4
210.12660	5.0
211.13284	8.6
227.12741	24.1
229.14371	23.3
241.14459	5.5
267.15894	12.4
275.12946	5.0
280.16907	4.0
283.15399	23.4
283.18216	4.3
301.16528	25.8
339.05106	4.5
437.25247	6.6
455.26273	13.4
459.27396	9.6
527.28571	6.3
673.87408	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	769.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
62.25334	0.2
67.26485	0.2
68.99764	0.3
69.03425	5.6
70.08041	0.5
70.08447	0.6
72.34775	0.2
76.78381	0.2
79.01853	4.2
81.03411	0.7
81.87531	0.2
85.02901	0.4
91.05514	0.2
97.02884	1.6
98.20820	0.2
99.04487	0.2
99.22723	0.2
104.64442	0.2
107.01316	1.0
107.08575	0.2
109.02876	0.7
111.00774	0.2
125.02343	3.2
127.03912	2.7
131.04913	0.5
137.02313	0.5
143.03383	6.4
143.04520	0.4
147.04419	0.3
151.03885	0.3
153.01820	100.0
154.02177	1.4
159.04422	0.7
161.05928	0.2
163.03922	1.3
165.01813	0.5
169.01355	0.3
171.02924	1.0
175.03873	0.3
177.05531	0.4
179.03400	1.3
179.07001	0.2
181.01318	0.5
183.02856	0.4
187.03941	0.4
191.03398	2.2
193.04967	0.4
195.02934	0.5
201.05479	0.3
205.04947	0.9
207.02888	1.3
209.04478	0.6
211.02246	0.2
215.03433	0.3
219.02905	0.6
223.02357	0.3
229.04971	1.1
233.04453	1.0
237.03931	2.5
249.03972	0.4
251.05458	0.4
257.04385	0.4
261.03931	0.5
267.69724	0.2
279.04996	0.5
285.03961	0.2
287.05618	0.5
297.06046	2.6
303.04965	18.4
304.05438	0.3
361.02200	0.6
362.02628	0.2
379.03534	0.3
449.07132	0.4
467.08157	0.5
539.06146	0.2
695.89960	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
60.11112	0.2
63.02388	0.2
68.99784	0.4
69.03423	0.5
71.04998	0.2
71.19365	0.2
71.19685	0.2
79.01848	5.2
81.03411	2.1
85.02899	0.2
87.00776	0.2
93.03374	0.2
95.04947	0.2
97.02883	8.2
99.04441	0.5
107.01303	2.2
109.02869	3.9
111.00761	0.4
121.02867	0.6
123.00771	0.3
125.02331	5.1
127.02956	0.4
127.03910	7.3
131.04979	0.2
135.04356	0.2
137.02310	1.2
140.23671	0.2
143.02512	0.2
143.03387	8.6
153.01817	100.0
153.02776	3.6
154.02136	0.7
161.05925	0.2
163.03920	0.4
164.06998	0.3
165.01840	0.9
169.00131	0.2
169.01361	1.0
171.02875	13.6
179.03218	0.2
183.02888	0.2
201.05450	0.7
207.02855	0.2
229.04945	1.4
233.04333	0.3
237.03973	0.2
247.05975	0.3
257.04343	0.9
261.03812	0.2
274.04715	0.3
279.05011	0.4
285.03973	0.4
287.05508	0.3
297.06000	3.7
302.04105	0.2
303.04965	34.1
304.05389	0.5
383.05960	0.2
411.07126	0.2
449.07220	0.3
467.08240	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
63.31096	0.2
69.38602	0.2
69.57851	2.0
79.01848	5.1
81.03400	0.5
87.77051	0.2
92.73489	0.3
97.02909	1.2
98.20555	0.2
107.01308	0.9
109.02848	0.4
111.58608	0.3
125.02354	3.2
127.03896	2.4
137.02327	0.3
143.03384	7.5
153.01819	100.0
154.02148	1.3
158.59312	0.2
171.02832	0.2
203.16519	0.2
213.03937	1.4
233.04439	0.6
237.03854	0.4
261.03964	0.6
269.86472	0.3
273.98529	0.2
279.04886	1.3
286.63940	0.2
297.05963	0.7
303.04950	3.9
305.02917	0.3
315.07178	1.4
449.07132	2.3
467.08105	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1239
Annotation	Quercetin 3-(2'',6''-digalloylgalactoside)
Peak:m/z	Relative Intensity
67.31065	0.2
69.03416	1.0
70.82199	0.5
70.82568	0.4
79.01849	5.0
81.03411	1.2
85.02910	0.2
97.02869	1.1
105.11150	0.2
107.01318	1.3
109.02882	1.0
121.02795	0.3
125.02335	4.1
127.03920	2.1
135.04359	0.2
137.02345	0.6
143.03397	8.2
143.04523	0.5
147.04492	0.3
153.01819	100.0
153.02805	3.8
154.02176	1.1
159.85292	0.2
163.03900	0.7
165.01799	0.3
169.90898	0.3
171.02911	0.7
191.03418	1.3
203.50858	0.2
215.93187	0.2
233.04477	0.4
237.03935	3.3
261.03952	0.5
277.03442	0.2
277.61707	0.2
279.04886	0.8
287.05539	0.3
297.06058	2.0
303.04953	5.6
304.05664	0.3
305.02719	0.7
315.06906	0.3
449.07059	4.0
455.05835	0.8
467.08087	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
68.99810	0.1
69.03444	0.8
69.75449	0.4
69.75880	0.5
79.01849	8.6
81.03419	2.8
85.02930	0.2
91.05468	0.1
95.01321	0.2
97.02894	2.1
98.21430	0.2
99.04466	0.2
103.05473	0.2
107.01311	1.8
107.04927	0.1
109.02876	2.2
111.04429	0.4
113.77014	0.1
123.00813	0.2
125.02344	4.9
127.03905	3.4
129.37051	0.1
131.04916	0.3
138.04979	0.1
143.03391	10.7
147.04407	0.3
153.01822	100.0
153.02817	4.1
154.02153	0.7
159.04449	0.4
161.06021	0.2
163.03870	0.3
167.07050	0.3
171.02875	1.0
173.02379	0.3
175.03897	0.2
177.05507	0.2
185.02409	0.2
185.45540	0.1
187.03912	0.8
189.05415	0.2
191.03415	0.3
201.01791	0.7
203.03412	0.6
205.05016	0.5
207.02881	0.2
213.01849	0.5
215.03346	0.8
217.04910	0.1
219.02892	0.2
229.01338	0.6
231.02870	2.9
233.04448	0.9
241.01294	0.6
247.02425	1.0
249.03902	0.2
257.00845	1.2
259.02359	4.9
261.03949	0.8
275.01883	2.3
276.02658	1.0
277.03418	14.5
278.03714	0.3
279.04941	1.3
285.00345	0.9
297.06009	0.3
302.00555	0.2
303.01331	18.1
305.02850	0.2
317.68918	0.2
321.02368	0.5
328.99295	0.1
331.00821	0.2
352.20413	0.1
357.96335	0.2
363.03165	0.2
367.04623	0.2
374.04303	0.2
385.05411	0.2
411.03204	0.2
429.04471	0.3
449.07101	0.3
457.17148	0.2
467.07504	0.2
617.07471	0.3
769.08270	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.6
57.03430	2.1
61.02921	5.9
61.89205	0.7
67.05500	6.2
69.03430	4.6
69.07069	2.1
70.70644	0.6
71.01358	0.8
71.04969	1.0
71.57887	1.0
72.67474	0.6
73.02896	4.3
79.05492	5.0
81.03400	3.4
81.07045	6.2
83.08640	0.8
86.09698	1.0
86.52023	0.6
91.03948	4.2
91.05469	3.9
93.07031	5.4
95.04980	1.7
95.08617	3.2
97.02882	5.6
98.06400	0.8
99.04459	1.1
101.02390	1.2
105.07044	3.1
107.08609	2.0
109.02894	1.2
109.10163	1.3
119.08632	2.2
119.95775	0.7
121.10191	2.1
127.03948	1.9
131.08577	1.7
133.10179	1.6
135.11754	1.3
145.10162	0.7
147.11707	0.8
149.09637	1.0
184.07391	2.4
243.08467	2.4
251.12727	1.3
269.13712	1.5
303.01538	1.4
443.18924	3.0
464.31076	0.6
469.20447	2.4
487.21613	5.0
519.29279	9.9
721.40625	0.8
747.43256	4.5
765.43878	100.0
766.44757	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	767.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64057	2.9
55.01859	8.0
55.05506	21.5
56.66092	3.4
56.96554	3.3
57.03429	8.5
61.02927	3.5
65.03937	4.7
67.05506	41.7
69.03434	39.2
69.07055	13.0
70.06582	2.7
71.04981	8.5
71.58186	6.1
73.02918	3.0
79.01859	2.8
79.05493	37.8
81.03418	100.0
81.07061	57.2
83.04984	23.7
83.08614	18.7
85.02917	22.9
91.05480	41.7
93.07048	38.1
95.04964	27.3
95.08592	13.6
97.02892	32.1
97.06522	9.3
97.10167	3.4
99.04453	11.5
103.03906	3.0
105.07027	30.0
107.04945	14.1
107.08592	17.6
109.02876	31.8
109.06537	6.8
109.10159	8.2
111.04470	13.8
111.08069	7.1
117.07019	8.1
119.08607	19.8
119.09343	3.7
121.06487	6.4
121.10130	14.8
123.04428	4.8
123.08099	3.6
123.11742	4.7
125.09618	3.9
127.03915	27.4
129.05458	3.7
129.07001	10.2
129.39198	2.8
131.04916	6.2
131.08543	13.3
133.06487	6.0
133.10118	10.8
135.08022	4.3
135.11684	8.0
137.05995	3.3
143.08543	5.1
145.06456	3.7
145.10136	7.7
147.08044	4.8
147.11681	13.9
148.12347	3.2
149.09625	3.4
149.13264	7.3
153.01807	4.7
157.10120	9.6
159.11758	8.0
161.06026	3.8
161.13176	3.3
163.11182	6.7
165.05507	3.5
165.12738	5.5
173.04454	11.9
173.09682	4.4
173.13219	3.8
174.49713	2.9
175.11211	8.0
177.12695	6.9
193.12239	22.6
195.13824	9.0
211.13281	37.4
223.22598	3.0
227.12761	6.1
227.14650	3.1
229.14397	3.1
267.08981	4.0
267.15903	8.5
269.17438	9.3
273.14896	4.2
285.10175	7.1
285.17090	4.7
287.05563	4.7
316.62274	3.2
324.11597	9.0
339.18268	4.8
355.17288	4.3
411.20007	6.4
430.18573	9.0
461.29056	4.7
479.29935	7.1
589.03033	3.1
605.33075	9.9
623.33856	6.8
724.85022	3.0
767.37805	15.0
782.63623	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	763.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.05522	1.0
57.03431	1.9
61.02928	6.4
67.05509	5.9
69.03430	4.3
69.07082	1.2
70.71810	1.4
71.01350	0.5
71.04991	3.4
73.02912	3.6
79.05498	4.3
81.03419	2.0
81.07054	7.3
83.08618	1.0
85.02909	5.8
87.04462	0.6
91.03941	3.3
91.05476	3.4
93.07041	4.0
95.04993	0.6
95.08605	3.2
97.02908	4.7
97.06567	0.5
99.04453	0.8
101.02386	2.2
105.07058	2.2
107.08615	2.1
109.02907	0.6
109.06496	0.5
109.10159	1.1
117.07013	1.1
119.08595	0.6
121.10138	1.8
123.11720	1.3
127.03960	1.8
131.08566	1.1
133.10144	2.3
135.11707	0.6
142.81340	0.5
149.13258	0.9
151.11218	0.8
159.11702	1.3
185.04288	0.9
187.13336	0.4
203.05440	1.0
241.16322	0.5
243.08347	2.4
257.17505	0.6
263.53513	0.4
267.15836	1.5
307.85785	0.4
320.70969	0.4
485.23553	11.2
519.29230	6.2
553.85150	0.4
629.38519	0.5
731.42487	0.5
763.45990	100.0
764.46301	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	763.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.8
57.03434	3.1
57.07074	1.5
61.02920	7.9
61.60555	0.8
67.05508	7.6
69.03421	5.7
69.07056	2.1
73.02915	5.8
79.05493	6.1
81.03415	3.7
81.07039	7.0
83.01081	1.5
83.04995	1.3
83.08622	1.1
85.02901	9.7
86.09702	2.9
91.03954	6.3
91.05485	1.6
93.07017	4.5
95.01132	1.2
95.04951	1.8
95.08595	4.9
97.02884	7.0
97.06521	1.4
101.02380	2.6
103.03931	1.1
105.07004	1.9
107.08597	3.2
109.02846	1.0
109.10160	2.3
117.05528	1.1
117.07033	1.0
119.08582	1.9
120.90630	0.8
121.10159	2.1
123.11687	1.3
124.07212	0.9
125.00009	1.9
127.03889	4.5
129.05505	3.0
131.08508	1.4
133.10110	1.2
135.11734	1.5
139.03694	1.2
145.04958	1.6
159.11650	1.5
163.11215	0.8
177.89830	0.9
181.04764	2.2
184.07359	9.0
185.04204	10.0
185.11815	0.9
195.06303	1.2
201.03799	4.0
203.05301	2.0
241.06877	1.0
243.08421	6.2
274.58572	1.0
293.59293	0.9
301.08954	20.8
315.10461	6.1
317.08493	1.2
327.23059	1.2
335.25851	2.6
341.11884	1.8
355.13635	2.0
357.15350	2.5
369.15414	2.9
371.16873	3.8
373.11047	11.1
383.16583	1.2
384.54883	0.9
385.18381	11.5
387.12787	1.6
399.25027	1.1
415.15643	1.6
423.19812	1.1
429.17416	4.3
443.19028	1.2
455.18579	1.4
456.65533	1.1
457.20728	2.5
469.19867	4.9
483.22189	1.8
509.23392	4.3
512.26721	1.0
513.26868	2.9
517.28564	1.3
519.29291	20.8
523.25763	2.6
549.27057	2.8
553.29547	1.0
578.30536	17.7
591.31567	12.5
593.32349	1.1
605.33276	2.2
607.34589	1.5
610.29987	1.3
619.34705	3.7
620.34375	1.0
633.35767	1.4
647.35870	1.4
661.39044	8.1
662.39886	10.7
675.40430	1.0
679.40533	2.6
694.39209	1.3
703.40240	2.0
717.40955	1.3
745.41382	4.9
746.42157	1.5
763.42096	100.0
764.42407	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	763.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13623	1.3
55.05483	2.2
57.03424	5.1
57.07050	2.2
61.02922	7.6
66.39583	1.6
67.05500	7.1
69.03422	5.4
69.07074	2.7
73.02912	7.0
79.05478	6.3
81.03411	4.0
81.07054	6.3
83.01124	3.2
85.02892	10.2
86.09689	2.7
90.65966	1.4
91.03953	6.9
91.05476	2.6
93.07039	5.0
95.01154	1.6
95.04946	2.1
95.08604	4.5
97.02881	7.2
99.04491	1.8
101.02402	2.4
103.03940	1.8
107.08576	3.8
109.02836	1.6
109.10169	1.6
111.08112	1.4
119.08564	1.8
121.10132	3.1
124.99998	1.7
127.03880	4.2
129.05452	3.8
133.10135	2.4
145.04921	2.0
145.10159	1.5
147.11610	2.0
184.03349	2.4
184.07341	7.5
185.04224	11.1
201.03714	3.4
206.21382	1.6
243.08371	7.7
257.87125	2.0
301.08929	29.3
315.10461	8.9
327.10815	2.1
329.11829	2.4
335.25815	1.9
347.50000	1.7
355.13443	1.9
357.15341	3.2
369.15472	2.3
371.16943	2.5
373.11047	14.2
383.16815	2.0
385.18307	19.9
387.12616	3.7
399.25262	1.9
423.20349	2.0
429.17288	6.4
457.20609	3.5
467.18866	1.8
469.20709	6.4
476.62979	1.6
483.34528	8.3
509.23669	3.6
513.27185	3.1
519.29272	28.0
523.25250	1.8
524.83984	1.7
535.28656	2.2
549.26624	2.4
563.27441	2.5
567.31696	2.3
578.30573	16.5
579.31262	1.9
591.31348	14.8
605.32745	3.2
607.33990	1.8
619.35205	2.2
633.36182	1.7
661.39368	11.8
662.39777	11.9
675.40558	1.8
679.39807	1.9
691.39465	1.6
703.40033	2.2
717.40723	2.2
745.41150	6.7
746.41718	2.0
763.42023	100.0
764.41986	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	763.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.05512	1.8
57.03438	2.0
61.02929	6.3
67.05512	6.0
69.03421	4.9
69.07057	2.0
71.57927	1.8
73.02925	4.2
79.05499	5.6
81.03429	3.1
81.07057	7.8
83.08627	1.6
84.31052	1.1
85.02912	4.9
86.09701	1.7
91.03951	2.4
91.05506	4.3
93.07031	5.3
95.04989	2.5
95.08620	2.6
97.02908	5.2
97.06529	1.7
101.02396	1.8
105.07059	3.0
107.08603	4.2
108.74211	1.0
109.10178	1.5
117.07070	1.5
121.10168	2.4
127.03938	1.6
131.08560	2.0
147.11688	1.2
149.13281	1.2
184.07344	6.2
197.43198	1.0
230.83702	1.1
243.08470	2.5
333.20578	2.1
333.48703	1.1
453.20929	10.0
469.20724	1.6
535.28979	2.1
551.28271	4.5
665.35382	8.9
763.42328	100.0
764.42676	5.0
788.84656	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.9
55.05481	1.8
57.03408	1.7
60.08157	5.8
61.02916	5.9
64.69659	0.6
67.05507	5.3
69.03435	3.7
69.07053	1.0
71.04963	0.7
71.07377	3.1
71.58238	0.7
73.02940	3.6
78.73492	0.5
79.05504	3.4
80.81554	0.6
81.03398	2.3
81.07050	4.8
83.04962	1.4
83.08604	0.8
85.02496	0.6
85.02911	5.4
86.09707	28.5
87.10039	4.8
91.03941	2.5
91.05462	2.7
93.07014	4.1
95.04969	0.9
95.08581	4.1
97.02885	4.6
97.06586	0.8
98.98464	4.1
99.04455	0.8
101.02360	1.8
104.10717	1.8
105.07035	1.7
107.08569	1.8
109.10114	1.5
113.51163	0.7
119.08608	1.1
121.10152	1.2
123.11652	0.8
125.00016	21.7
126.00346	0.8
127.03924	1.5
131.08525	0.7
135.11685	2.0
143.01035	1.0
145.04910	0.6
145.10135	1.0
149.13185	0.9
150.72630	0.6
163.11197	1.8
184.07347	100.0
185.07716	16.0
209.11748	0.7
212.51558	0.7
243.08318	1.6
243.50401	0.6
249.10910	1.0
267.12073	1.9
335.25830	1.0
435.67007	0.6
441.17447	2.8
467.19089	1.4
485.19839	3.6
519.29376	6.8
532.90033	0.7
713.45593	4.5
719.39856	1.5
745.41736	7.1
763.42303	77.6
764.42371	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	763.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01864	0.7
55.05510	1.9
57.03433	2.3
57.07071	1.3
57.40086	0.6
60.08167	1.3
61.02936	5.2
67.05503	5.8
69.03439	2.6
69.07065	2.6
69.39033	1.6
69.39449	4.4
71.04977	0.8
71.08625	1.2
73.02917	4.2
79.05500	4.9
81.03418	2.4
81.07055	6.6
83.04976	1.4
83.08587	1.1
84.78230	0.5
85.02900	5.8
85.03319	0.7
86.09714	4.0
87.04471	2.7
89.06031	7.4
91.03973	1.9
91.05473	3.8
93.07040	4.3
95.04980	2.1
95.08595	3.6
97.02898	4.1
97.06551	0.7
99.04469	1.0
99.08099	0.7
101.02390	1.6
105.07043	1.6
107.05045	0.6
107.08609	2.4
109.02917	0.9
109.10152	1.6
111.04446	0.7
117.07021	0.8
119.08610	1.0
121.10159	0.9
123.11694	0.6
125.00001	2.7
127.03929	1.4
131.08562	0.9
133.08588	2.9
133.10156	1.8
135.11678	0.6
136.21875	0.8
145.63051	0.6
149.09610	0.7
149.13322	0.7
157.10091	0.7
159.11705	0.8
177.11407	0.7
179.14372	0.8
184.07324	14.3
185.04253	0.7
185.07727	2.1
227.20076	8.4
228.20366	0.8
242.54068	0.6
243.08501	2.5
276.61920	0.5
317.20959	0.6
333.20602	0.9
357.01071	0.5
378.94553	0.6
392.16675	0.6
420.02905	0.6
453.20950	5.1
469.20663	2.1
487.58575	0.6
535.28992	2.8
551.28265	3.4
665.34766	1.0
673.42279	0.9
745.37598	1.7
763.42279	100.0
764.42926	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.9
60.08163	3.3
61.02926	1.5
67.05487	1.4
70.79601	0.8
71.07374	1.2
79.05506	1.1
81.07045	1.4
85.02934	1.4
86.09707	13.7
87.10028	1.4
91.05494	1.1
95.08619	1.3
98.98476	1.8
104.10751	1.4
105.07011	0.9
112.43475	0.8
117.70377	0.8
125.00005	9.8
135.37047	0.8
138.67094	0.8
184.07335	50.4
185.07635	6.9
229.20868	1.1
351.00983	0.9
418.55316	0.9
461.25922	0.8
638.71075	1.1
713.45538	1.6
745.41260	1.2
763.40326	100.0
764.40515	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	763.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.9
56.05018	0.8
60.08156	5.6
66.04061	0.8
67.05472	1.4
70.18089	3.4
71.07372	4.5
79.05474	1.0
81.03413	1.0
81.07045	1.1
86.09702	30.3
87.10015	4.0
91.05466	0.9
93.07067	0.8
95.08562	1.0
98.98456	5.1
102.51598	0.7
104.10725	2.6
119.91158	0.7
125.00001	21.7
140.32941	0.8
184.07335	93.2
185.07700	12.4
201.14722	0.7
213.91164	0.8
300.65964	0.9
354.77094	0.7
485.17560	1.9
493.62460	0.8
593.36768	0.8
713.45978	3.2
763.40332	100.0
764.40515	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	763.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
63.49872	2.0
67.05505	3.8
69.07068	2.0
71.58320	3.3
72.20673	2.0
76.23734	1.8
79.05502	2.4
81.03406	2.2
81.07079	2.2
83.47753	1.9
85.02854	2.4
88.32993	1.8
93.07046	2.7
95.08575	3.2
184.07364	2.4
271.60318	1.9
334.45337	2.2
544.29022	2.0
763.40204	100.0
764.40619	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	763.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.05505	1.3
56.79392	0.6
57.03431	1.5
60.08181	0.6
61.02924	4.7
67.05506	4.0
69.03423	2.9
69.07077	0.9
73.02908	3.2
79.05504	4.3
81.03419	4.6
81.07046	3.6
83.05002	0.8
83.08611	0.6
83.81072	0.5
85.02905	6.1
85.33347	0.6
86.09692	0.9
91.03952	1.8
91.05467	4.6
93.07051	3.3
95.04961	1.3
95.08620	1.8
97.02898	4.3
97.06548	0.8
97.10191	0.6
98.20807	1.3
99.04454	1.0
101.02396	1.4
105.07027	3.5
107.05011	0.6
107.08604	1.7
109.06586	0.5
109.10149	0.7
109.66915	0.5
111.23402	0.6
117.07057	0.6
119.08580	2.9
121.10144	1.3
125.00042	0.8
127.03954	1.6
129.05507	0.6
129.06987	0.6
131.08594	0.6
133.10156	2.3
141.63905	0.5
147.11700	1.9
157.10141	1.3
175.11244	0.7
184.07321	2.9
185.04384	0.7
193.12297	1.1
211.13344	1.1
229.18655	0.6
241.06946	0.6
243.08443	1.9
251.12637	0.8
255.09030	0.6
301.08969	1.7
341.11969	0.6
371.16959	0.7
375.50244	0.5
390.63266	0.5
443.18796	1.3
469.20432	12.0
535.28833	3.7
541.22864	1.1
563.15356	0.6
569.81372	0.7
601.37830	0.6
763.42322	100.0
764.42810	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	763.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
65.03951	0.9
67.05503	1.1
69.03446	0.7
70.06602	1.5
71.58360	0.5
73.02908	0.3
75.59810	0.3
77.03929	0.5
79.05495	0.9
81.03420	2.0
81.07050	1.3
85.02890	0.5
91.05479	5.5
92.67365	0.3
93.05753	0.3
93.07040	2.2
94.06568	0.9
95.04957	1.7
95.08589	0.4
96.08122	0.9
97.02891	0.4
97.06553	0.6
105.04467	0.3
105.07027	0.7
107.04996	0.4
107.08607	0.4
108.04458	0.4
108.08112	2.3
109.02876	3.5
111.04482	0.4
119.04937	4.8
119.08654	0.4
120.04488	0.4
120.08099	0.5
121.06489	0.3
122.06022	4.6
124.07585	10.3
125.02332	0.4
126.05520	1.4
127.03922	0.7
136.07573	95.7
137.05951	1.0
137.07916	0.9
138.09135	1.1
140.07057	1.3
143.03398	0.7
147.04402	19.6
148.04796	0.6
148.07579	0.8
150.05521	0.8
152.07057	24.5
153.01834	8.9
153.02940	0.3
153.07327	0.4
161.06024	0.5
162.05533	1.7
163.03886	0.6
164.07059	100.0
165.07370	1.0
166.08636	1.2
167.07033	0.7
169.10092	0.3
170.08090	1.0
182.08116	2.8
202.08635	0.4
212.09244	0.4
216.10100	0.5
224.09149	1.0
227.11813	0.4
232.09753	0.5
242.11740	0.4
244.09633	1.1
246.11275	0.3
255.11310	0.5
269.12842	0.4
272.09177	0.7
287.13898	28.0
288.14273	0.5
290.10165	1.0
296.11182	0.6
297.12408	1.6
299.05432	0.9
303.04904	1.5
305.14996	3.8
308.11319	2.5
315.13235	1.0
326.12201	0.4
347.16022	7.5
365.15079	0.9
377.14746	0.4
395.16055	5.3
413.17087	5.7
431.18146	5.0
443.09485	0.8
449.19205	0.6
474.77951	0.3
573.46436	0.4
582.35651	0.4
583.36774	0.6
745.41162	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.05515	0.3
65.03936	1.0
67.05505	1.2
69.03422	0.6
70.06592	1.5
71.04984	0.4
71.58141	0.4
77.03904	0.6
79.01841	0.6
79.05495	1.0
80.05032	0.3
81.03416	2.5
81.07037	1.4
85.02898	0.4
91.05474	6.4
91.06018	0.5
91.42322	0.2
93.05772	0.5
93.07030	2.2
94.06561	0.9
95.04977	1.7
95.08589	0.4
96.08131	1.2
97.02884	0.5
97.06511	0.5
99.04442	0.3
105.04472	0.3
105.07013	0.6
107.04943	0.3
107.08561	0.3
108.04488	0.5
108.08096	2.1
109.02871	3.5
110.06042	0.2
110.09681	0.3
111.04408	0.3
118.06503	0.2
119.04939	7.2
120.05254	0.3
120.08091	0.4
122.06007	4.3
124.07585	11.7
125.02357	0.4
126.05499	1.1
127.03922	0.6
131.04868	0.3
136.07570	97.5
137.05945	1.0
137.07918	0.7
138.09093	0.9
140.07027	1.4
143.03377	1.0
147.04401	33.6
148.04752	1.2
148.07561	0.9
150.05475	1.2
152.07060	24.7
153.01817	12.9
153.02847	0.4
161.05879	0.3
162.05490	1.1
163.03835	0.4
164.07056	100.0
165.07323	1.0
166.08670	1.7
167.06964	0.5
170.08105	1.1
182.08113	2.6
202.08643	0.5
211.07455	0.3
212.09081	0.4
214.08665	0.5
224.09100	1.0
227.11703	0.5
230.08043	0.3
244.09636	1.1
253.08470	0.3
254.17528	0.3
255.11250	0.5
260.08978	0.3
269.12662	0.4
272.09058	0.9
287.13885	27.7
288.14148	0.3
290.10181	0.8
291.08411	0.4
296.11200	0.4
297.12216	1.5
298.19965	0.3
303.05029	1.7
305.14938	3.5
308.11304	2.4
311.13824	0.6
315.13321	1.0
326.12488	0.6
347.15994	7.2
365.14841	0.9
377.14975	0.7
395.16016	4.6
405.44061	0.3
413.12347	0.3
413.17102	4.8
431.18149	4.5
443.09665	1.1
449.18939	0.6
461.10513	0.5
539.33423	0.3
583.36487	0.4
745.40753	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1706
Annotation	Quercetin 3-(2''-galoylrutinoside)
Peak:m/z	Relative Intensity
57.03429	1.7
61.97470	1.1
69.03431	7.3
70.07669	3.9
71.04991	16.6
79.01842	1.5
85.02903	17.1
97.02831	1.7
98.21447	1.3
109.02898	1.8
125.02319	2.8
127.03869	4.9
129.05453	6.3
143.03374	4.5
153.01820	100.0
163.03929	1.3
171.02872	3.5
172.64091	1.1
191.03296	1.8
194.51993	1.0
195.02940	1.1
196.36385	1.0
233.04626	1.3
237.03949	1.8
287.05472	8.5
297.05923	5.8
303.04980	31.0
315.07144	13.2
370.31113	1.0
772.89996	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.5
54.86707	0.2
55.01894	0.4
63.02396	0.5
65.03953	0.4
67.05515	0.4
69.03427	1.3
69.07054	0.3
70.06618	0.4
77.03942	0.4
79.01847	2.6
79.05486	1.5
81.03407	2.1
81.07056	0.5
85.02919	0.6
89.03910	7.2
91.05494	1.5
93.07065	1.0
93.17271	0.2
95.04960	1.3
95.08617	0.3
96.08150	0.6
97.02917	0.8
97.06499	0.2
98.21616	0.4
103.05491	0.4
105.07059	0.5
106.47549	0.3
107.01328	0.7
107.04953	2.5
108.04506	0.2
108.08160	0.6
109.02876	1.8
111.04479	0.3
117.03374	7.4
119.04979	0.6
121.02883	0.4
122.06004	2.5
123.04420	0.3
124.07584	4.1
125.02348	2.2
126.05488	0.3
127.03910	1.1
131.04907	0.2
135.02892	0.4
135.04405	18.7
136.07565	25.6
137.05986	1.2
138.09157	0.7
140.07059	0.6
143.03384	4.7
145.02829	12.5
147.04387	1.0
150.05525	0.7
152.07053	8.4
153.01820	44.1
154.02103	0.4
161.05925	0.3
162.05432	0.6
163.03889	100.0
164.04250	1.6
164.07054	24.8
166.08643	0.8
167.07059	0.7
170.08110	0.7
175.07416	0.3
177.05466	0.4
181.04921	0.5
182.08017	0.5
183.02831	0.3
186.05479	0.5
190.42957	0.2
191.03380	0.3
209.61726	0.2
213.05736	0.2
227.11716	0.2
229.47430	0.3
237.03760	0.3
287.05496	5.5
287.13876	7.6
296.11011	0.4
297.06003	0.3
299.05417	0.4
303.04767	0.7
305.14764	1.0
307.07938	0.9
308.11191	1.1
313.10181	0.3
315.08160	0.3
347.15668	0.4
359.37527	0.3
395.15668	0.4
413.17105	2.0
431.18137	1.5
432.99002	0.2
449.18649	0.3
459.09183	5.4
477.09845	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.5
54.86707	0.2
55.01894	0.4
63.02396	0.5
65.03953	0.4
67.05515	0.4
69.03427	1.3
69.07054	0.3
70.06618	0.4
77.03942	0.4
79.01847	2.6
79.05486	1.5
81.03407	2.1
81.07056	0.5
85.02919	0.6
89.03910	7.2
91.05494	1.5
93.07065	1.0
93.17271	0.2
95.04960	1.3
95.08617	0.3
96.08150	0.6
97.02917	0.8
97.06499	0.2
98.21616	0.4
103.05491	0.4
105.07059	0.5
106.47549	0.3
107.01328	0.7
107.04953	2.5
108.04506	0.2
108.08160	0.6
109.02876	1.8
111.04479	0.3
117.03374	7.4
119.04979	0.6
121.02883	0.4
122.06004	2.5
123.04420	0.3
124.07584	4.1
125.02348	2.2
126.05488	0.3
127.03910	1.1
131.04907	0.2
135.02892	0.4
135.04405	18.7
136.07565	25.6
137.05986	1.2
138.09157	0.7
140.07059	0.6
143.03384	4.7
145.02829	12.5
147.04387	1.0
150.05525	0.7
152.07053	8.4
153.01820	44.1
154.02103	0.4
161.05925	0.3
162.05432	0.6
163.03889	100.0
164.04250	1.6
164.07054	24.8
166.08643	0.8
167.07059	0.7
170.08110	0.7
175.07416	0.3
177.05466	0.4
181.04921	0.5
182.08017	0.5
183.02831	0.3
186.05479	0.5
190.42957	0.2
191.03380	0.3
209.61726	0.2
213.05736	0.2
227.11716	0.2
229.47430	0.3
237.03760	0.3
287.05496	5.5
287.13876	7.6
296.11011	0.4
297.06003	0.3
299.05417	0.4
303.04767	0.7
305.14764	1.0
307.07938	0.9
308.11191	1.1
313.10181	0.3
315.08160	0.3
347.15668	0.4
359.37527	0.3
395.15668	0.4
413.17105	2.0
431.18137	1.5
432.99002	0.2
449.18649	0.3
459.09183	5.4
477.09845	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52263	0.2
61.20922	0.2
61.44663	0.2
63.02369	0.7
67.05470	0.3
69.03402	0.4
70.06570	0.3
71.57448	0.2
79.01852	2.0
79.05486	1.4
81.03400	0.6
81.07059	0.3
85.02896	0.5
89.03908	7.1
91.05466	0.6
95.04949	0.6
97.02885	0.8
97.06519	0.2
98.40175	0.3
105.06979	0.5
106.08581	0.3
107.01320	0.4
107.04938	2.3
117.03375	6.7
119.04920	0.3
119.08619	0.3
121.02845	0.3
123.04405	0.3
125.02364	1.4
127.03926	1.3
131.04977	0.3
135.04402	17.6
137.02222	0.3
137.05995	0.6
143.03394	2.9
145.02841	11.5
145.04004	0.6
147.04422	0.5
153.01819	29.0
154.02211	0.4
161.06015	0.3
163.03889	100.0
164.04239	1.6
167.06982	0.6
211.85953	0.2
223.06009	0.6
233.04506	0.3
279.05063	0.4
287.05493	5.3
299.05258	0.5
303.04950	0.7
459.08978	0.8
477.10300	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81306	0.2
55.05503	0.4
56.05048	0.5
58.06602	0.3
60.08161	5.9
67.05517	1.2
69.07056	0.7
69.84795	1.4
71.07372	3.3
79.05477	0.8
81.03414	1.1
81.07047	1.3
83.08605	0.6
85.02891	0.3
86.09706	28.9
86.51644	0.2
91.05475	0.6
93.07040	0.5
95.04953	0.4
95.08591	0.8
98.98463	3.2
104.10744	2.2
105.07030	0.5
107.08603	0.4
109.10147	0.4
112.53671	0.3
118.40469	0.3
121.10135	0.4
125.00002	19.9
131.08553	0.2
139.27661	0.2
143.01041	0.5
184.07339	100.0
185.07716	0.5
193.10309	0.2
193.12140	0.2
267.15918	0.6
334.55145	0.3
337.27347	0.8
520.34210	0.3
529.38513	0.8
547.39948	0.5
712.45508	4.3
713.45673	0.3
745.39667	0.3
762.40564	0.6
763.41174	4.0
773.42834	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.7
57.03423	0.3
57.60840	0.1
58.06625	0.5
60.08159	5.9
61.02917	0.5
67.05502	1.0
69.03417	0.4
69.07069	0.3
69.80881	1.0
70.06583	0.2
71.07368	3.3
72.17908	0.1
73.02882	0.2
79.05480	0.5
81.03414	0.5
81.07058	0.6
83.04950	0.2
83.08619	0.2
85.02896	0.4
86.09700	30.9
87.10014	0.2
91.03933	0.2
91.05493	0.3
93.07036	0.5
95.04955	0.2
95.08606	0.5
97.02873	0.4
98.97860	0.2
98.98466	3.4
101.02353	0.2
104.10744	2.1
105.07036	0.3
107.08598	0.4
109.10152	0.2
119.08579	0.3
121.10152	0.4
124.99997	20.5
131.08562	0.2
133.10066	0.2
135.11639	0.2
143.01035	0.4
144.05669	0.1
147.11682	0.2
161.13304	0.1
164.49797	0.1
184.07327	100.0
185.07758	1.0
243.08482	0.3
267.15775	0.3
316.56946	0.2
337.27020	0.4
441.17346	0.2
450.22223	0.2
485.19565	0.3
519.29028	0.6
529.38568	0.3
712.45349	3.3
713.45667	0.2
745.40851	0.6
762.40741	0.8
763.42261	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	761.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.6
55.05503	1.4
57.03439	1.6
61.02923	3.6
67.05501	3.9
69.03426	2.9
69.07056	3.5
70.64354	2.2
70.64738	1.2
71.04980	0.7
73.02917	2.6
79.05494	3.4
81.03424	3.6
81.07065	4.4
83.04980	1.4
83.08617	1.2
83.12372	0.6
85.02900	4.9
85.33250	0.7
86.09695	2.1
91.03952	1.9
91.05467	5.1
92.90730	0.6
93.07053	3.0
95.04971	2.1
95.08604	2.8
97.02884	3.4
99.04474	0.8
101.02370	1.0
105.07021	4.4
107.04980	1.8
107.08597	2.0
109.02897	0.9
117.07051	1.7
119.08579	3.2
121.10146	1.1
125.00014	1.4
127.03969	1.0
129.07027	0.8
131.08600	1.9
133.10138	3.4
135.11737	0.8
145.10149	1.4
147.11710	1.5
149.09677	1.1
159.11639	0.9
184.07350	4.3
193.12206	0.8
203.05322	0.7
243.08501	2.3
257.50171	0.7
315.19186	3.1
397.85486	0.7
407.92996	0.7
425.80304	0.7
469.20206	5.1
533.27209	8.7
761.40747	100.0
762.40778	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	761.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.05498	3.3
57.03417	2.1
61.02917	3.8
67.05504	8.8
69.03413	3.0
69.07047	3.7
71.58566	2.1
73.02918	3.6
79.05500	4.9
80.21502	1.4
81.03406	3.3
81.07053	7.5
83.08618	2.9
83.73726	1.4
85.02908	4.2
86.09724	3.3
91.03955	1.6
91.05474	4.1
93.07046	5.5
95.08595	3.9
97.02899	4.4
101.02397	2.9
105.07029	2.6
107.08591	4.6
109.10122	1.5
119.08598	3.7
121.10133	2.5
123.08088	1.6
125.00014	5.3
133.10193	2.4
135.08067	1.5
138.40181	1.3
149.13269	2.1
159.11777	1.7
184.07317	18.1
185.07793	1.7
223.13275	1.6
243.08553	4.0
295.79660	1.6
304.23349	1.4
331.18677	1.8
378.41721	1.7
453.21121	8.0
467.16345	1.7
549.27008	5.8
761.40771	100.0
762.40997	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	761.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
53.23267	0.7
55.01864	0.8
55.05514	2.5
57.03427	2.1
57.07055	0.7
61.02924	4.4
65.29774	0.7
67.05497	4.2
69.03426	3.0
69.07066	2.1
71.05005	1.0
73.02914	2.9
79.05494	5.0
81.03416	3.1
81.07050	4.9
83.04997	1.2
83.08624	1.5
85.02913	3.9
86.09727	1.5
91.03961	2.8
91.05470	5.0
93.07027	5.8
95.04980	1.8
95.08619	1.9
97.02887	3.8
98.20689	1.0
99.04449	0.8
101.02398	2.1
105.07018	5.2
107.08595	2.4
109.06533	0.8
109.10159	1.7
115.87029	0.6
117.07027	1.5
119.08584	2.6
121.10166	1.7
123.08090	1.3
127.03925	1.2
131.08531	1.8
133.10184	2.2
135.11736	2.2
145.10089	1.2
147.11658	1.7
151.11380	0.8
163.11237	2.6
184.07344	4.8
185.04247	1.0
193.08299	0.6
243.08501	2.7
250.69003	0.7
256.22165	0.7
301.08887	0.8
465.20563	0.9
467.18979	9.7
469.20963	0.8
519.15308	0.8
533.27509	0.8
535.28827	3.8
594.31146	0.7
595.52057	0.8
760.42426	0.9
761.40741	100.0
762.41333	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	761.408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.01868	2.1
55.05495	2.6
57.03435	2.6
60.12955	0.9
61.02921	4.8
67.05505	8.3
69.03439	2.1
69.07070	5.7
73.02913	2.5
78.96758	1.0
79.05489	6.9
81.03417	4.8
81.07063	8.5
83.04954	1.8
85.02921	7.5
86.09721	1.8
91.03954	1.4
91.05466	7.2
93.07051	5.7
95.04980	2.9
95.08621	4.5
97.02895	4.5
97.06509	1.8
101.02411	1.3
105.07036	6.2
107.04954	1.9
107.08617	3.5
108.86977	1.1
109.10153	3.1
114.56622	1.1
117.07047	1.4
119.08598	3.8
121.10181	1.9
131.08557	3.2
133.10153	3.0
135.11693	3.4
145.10152	2.4
147.11726	1.8
157.10191	1.1
163.11133	1.3
175.11208	1.2
184.07355	8.2
185.07813	1.4
221.83345	1.2
229.29135	1.3
243.08513	2.1
255.15956	2.5
275.20087	1.8
315.19363	3.5
337.24646	1.0
469.20425	9.1
530.35083	1.3
533.27258	5.5
761.40802	100.0
762.41302	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	761.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91176	1.5
67.05492	5.3
67.75961	1.3
69.41202	12.7
69.41608	3.8
79.05481	2.3
81.07045	3.7
85.02899	1.6
93.07027	2.0
95.08593	2.2
103.27939	1.6
105.07001	1.5
119.08556	1.7
124.59285	1.4
154.08226	1.4
184.07265	2.5
337.27463	2.2
593.49420	1.7
720.35107	1.7
761.38519	100.0
762.38940	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	761.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62794	1.7
55.01860	1.9
67.05499	4.1
69.23483	2.4
69.23804	24.4
79.05472	2.0
81.07061	2.6
85.92099	1.9
86.09703	4.0
87.72231	1.8
91.05462	2.4
95.08600	3.8
98.21492	5.0
103.49938	1.9
105.07051	2.1
184.07329	2.2
406.16339	1.9
578.41284	3.4
663.93842	2.3
761.38519	100.0
762.38995	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	761.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.05494	1.5
57.03432	2.4
59.05001	1.6
61.02926	4.5
65.03941	0.7
67.05500	3.3
69.03432	3.7
69.07065	1.7
69.66555	3.8
71.04991	2.5
73.02905	3.7
78.77644	0.6
79.05489	5.1
79.37596	0.7
81.03413	7.6
81.07060	4.4
83.04977	1.5
83.08624	2.0
85.02906	6.0
87.04464	1.4
91.03963	1.7
91.05473	5.2
93.07041	3.6
95.04971	2.4
95.08614	1.8
97.02888	5.3
97.06528	1.6
97.10174	0.8
97.79294	0.6
99.04455	1.7
101.02398	2.5
103.03916	0.8
103.05435	1.2
105.07014	3.9
106.31214	0.7
107.04953	1.1
107.08591	3.0
109.02875	1.6
109.06543	1.4
111.08110	0.9
115.03949	1.0
115.05454	0.7
119.08590	3.3
120.69694	0.7
121.06503	1.1
121.10144	4.0
123.04426	0.8
123.08098	0.6
127.03947	1.9
129.07010	2.2
131.08598	3.0
133.02852	0.7
133.10153	2.8
137.05981	1.6
145.10161	0.6
147.08107	0.9
147.11687	2.3
149.08572	0.7
149.09578	3.4
157.10126	1.4
162.43053	0.6
163.07634	0.7
167.07040	2.2
175.11224	2.1
181.04974	1.4
182.94463	0.6
186.98068	0.6
193.12228	3.2
225.14830	1.1
243.08424	3.2
267.16028	2.0
283.15121	7.3
302.82098	0.8
339.17905	1.8
438.38223	0.7
469.20703	1.2
501.23047	32.6
620.23834	0.8
761.39227	100.0
762.39752	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	760.482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01861	0.8
55.05500	3.7
56.05024	0.9
57.03448	2.8
59.77729	0.5
60.08165	7.3
67.05507	10.6
69.03417	0.7
69.07062	2.7
69.31649	4.5
71.07370	3.4
79.05492	7.7
81.03416	12.6
81.06583	0.7
81.07053	9.8
83.04982	0.9
83.08605	2.9
85.02892	0.6
86.09706	30.4
91.05477	6.1
93.07049	8.4
95.04973	4.5
95.08611	6.5
97.02876	0.8
97.06516	0.7
97.10149	1.5
98.98457	3.0
104.10734	2.0
105.07022	5.0
107.04951	0.8
107.08596	4.6
109.06509	0.6
109.10158	3.2
111.08072	0.7
115.05470	0.6
117.07011	1.7
119.08578	3.3
121.10148	3.8
123.11702	1.0
125.00006	20.1
129.07007	1.6
131.08559	2.7
133.10130	2.5
135.11682	1.5
145.10133	1.8
147.11659	2.4
149.09596	0.8
157.10164	1.2
158.22493	0.5
159.11667	1.2
161.13275	1.5
173.13239	1.6
175.11169	1.7
184.07339	100.0
185.72090	0.6
189.11313	1.1
192.22025	0.6
193.12234	3.3
210.69742	0.5
227.12837	1.1
239.91541	0.5
261.22238	3.3
261.48569	0.6
267.15924	13.7
285.16870	1.5
316.10724	0.6
335.25790	11.5
435.32443	0.7
436.48828	0.6
465.20102	0.7
471.34698	0.7
527.37341	8.2
535.29425	0.7
545.38452	5.4
569.37531	0.7
710.14691	0.5
710.43640	3.9
760.43536	3.4
760.81018	0.6
761.39917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3923
Annotation	Claudimerin A
Peak:m/z	Relative Intensity
55.01870	1.8
55.05500	3.2
57.03450	2.0
59.20908	1.3
61.02926	4.1
62.17722	1.3
67.05498	11.1
69.03429	3.1
69.07065	5.8
70.41894	1.4
71.58643	2.2
73.02913	3.5
78.61443	1.3
79.05506	8.0
79.96876	1.5
81.03414	4.8
81.07059	10.0
83.08609	2.9
85.02886	3.1
85.06593	1.3
86.09667	3.4
91.03932	1.9
91.05485	6.5
92.05806	1.4
93.07034	8.0
95.04969	3.7
95.08609	6.3
97.02892	4.3
97.06530	2.3
101.02386	2.5
102.94736	1.4
105.07014	8.2
107.04944	3.2
107.08607	3.7
109.10129	2.4
117.07004	3.2
119.08584	4.1
121.10152	2.2
124.99997	3.6
125.51247	1.5
131.08537	2.8
133.10161	4.0
135.11633	2.3
145.10048	3.1
163.11191	1.7
184.07330	12.6
194.37459	1.3
228.36647	1.4
243.08574	2.0
269.17245	1.7
270.17795	1.7
315.19345	2.7
396.40851	1.6
402.99899	1.5
464.31158	1.7
467.18887	7.1
470.67575	1.7
503.82761	1.8
533.27271	9.4
759.39191	100.0
760.39459	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	760.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.2
55.01862	6.7
55.05505	13.7
57.03430	7.9
57.07066	1.9
60.08152	4.7
61.02921	2.5
65.03940	2.0
65.28131	1.9
65.89920	2.0
67.05503	46.8
67.85494	1.8
69.03424	4.3
69.07067	21.3
71.04976	3.2
71.07354	2.0
71.57613	3.5
73.02950	2.0
76.89371	1.8
79.05489	33.4
79.08125	1.6
81.03423	6.4
81.07055	31.6
83.04971	8.4
83.08604	5.7
85.02901	3.1
85.06527	2.4
86.09697	28.8
91.05476	25.1
93.07035	38.6
95.04955	8.5
95.08591	18.6
97.02870	3.3
97.06517	13.8
97.10158	5.9
98.98454	3.6
105.07037	15.7
107.04971	5.1
107.08589	20.4
109.06489	4.3
109.10144	14.1
109.65994	2.0
111.08046	3.4
116.61527	1.8
117.07021	6.7
119.08582	14.4
121.06481	4.0
121.10160	7.8
123.08040	3.0
125.00006	17.5
131.08597	6.5
133.10103	12.0
135.08102	3.2
135.11678	21.7
137.09651	9.5
142.07755	2.6
145.10120	11.1
147.11703	3.5
149.09610	9.6
159.11710	5.3
161.13290	3.1
163.11185	6.4
173.11777	4.8
173.13188	1.9
177.12666	2.5
181.12221	5.2
184.07332	100.0
185.07791	2.1
190.38965	1.9
212.21965	2.1
229.14076	2.2
255.15904	23.2
257.19040	4.5
275.20084	13.1
304.94955	1.8
349.23697	13.4
409.26065	10.8
427.13318	2.1
433.29572	3.4
469.20428	2.0
529.35248	21.6
627.94611	1.9
654.22675	2.0
656.87158	2.2
761.41028	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	758.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91482	1.3
53.03949	4.7
53.09858	1.2
55.01872	5.2
55.05513	21.9
57.03442	16.4
57.07078	4.0
59.04518	1.3
61.02927	3.1
65.03943	3.9
67.05502	71.1
69.03423	5.8
69.07066	27.0
70.82531	3.3
71.04990	5.3
71.08605	3.1
79.05490	61.3
81.03415	19.9
81.07053	100.0
83.04977	14.2
83.08614	18.6
83.52515	1.7
85.02905	7.6
85.06535	5.9
86.09712	3.9
91.03976	1.5
91.05472	44.3
92.05801	1.4
93.07044	74.6
95.04966	14.2
95.08611	32.9
97.02921	4.2
97.06532	13.5
97.10149	7.9
99.04469	1.4
99.08102	5.2
103.05482	1.4
105.07022	34.5
107.04946	8.1
107.08595	43.4
109.02913	2.0
109.06535	6.0
109.10154	13.3
111.04449	1.4
111.07393	1.6
111.08044	9.1
114.09332	1.5
117.07014	16.8
119.08584	19.8
121.06498	6.2
121.10148	24.7
122.56657	1.5
123.08035	3.2
123.11694	5.3
125.09637	3.3
127.03910	2.2
129.06996	3.7
131.08572	18.7
132.08917	1.7
133.10126	30.3
135.08038	4.2
135.11700	16.6
136.12039	1.3
137.09587	2.1
137.13312	1.7
141.07042	2.8
143.08583	3.2
145.10130	12.2
147.11684	10.2
149.09624	7.3
149.13257	22.5
151.11198	5.9
155.08533	2.4
157.10104	3.3
158.87875	1.5
159.11682	17.2
161.09624	1.8
161.13312	4.1
163.11224	7.7
165.12769	1.9
169.10205	2.0
171.11685	2.0
173.04417	2.3
173.13347	2.1
175.11244	2.3
175.14915	1.6
175.44205	1.6
177.12759	5.7
179.14267	7.4
184.07344	9.5
187.14853	2.0
193.12277	5.9
195.13823	13.6
211.13251	9.4
213.14842	2.7
227.12685	6.8
229.19536	2.1
253.14378	7.3
255.15869	3.2
257.19043	4.8
259.20657	4.8
267.16019	4.6
269.17477	67.0
271.15329	1.7
275.20023	15.9
277.21591	5.9
283.15265	2.3
285.16977	11.4
291.19507	2.0
331.22470	2.3
333.24176	2.4
349.23825	16.9
351.25305	6.0
439.26483	1.8
449.29141	19.3
463.30524	80.3
464.30774	5.4
503.33405	1.8
525.35339	2.9
543.36804	28.6
561.37830	14.7
574.66632	1.5
607.34369	3.1
759.38525	4.1
767.95331	1.8
780.52252	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
53.35669	0.7
55.05509	12.0
57.03440	5.2
57.07069	1.6
60.99852	0.9
61.02918	3.2
65.03945	2.1
67.05503	53.5
69.03422	1.8
69.07069	11.3
69.90919	5.3
71.04990	18.2
72.05288	0.8
73.51495	0.8
79.05492	27.7
81.03431	1.0
81.07054	81.2
82.07394	1.3
83.04974	3.5
83.08618	8.5
85.02905	2.3
85.06546	8.1
91.03999	1.0
91.05480	23.4
93.07043	31.1
94.07394	0.9
95.04951	3.4
95.08605	24.2
97.02863	1.9
97.06532	4.6
97.10179	2.7
98.20824	1.0
99.08100	1.0
105.07026	12.4
107.07877	1.0
107.08595	19.7
109.06535	1.8
109.10153	10.6
111.08085	2.6
117.07014	3.9
119.08585	7.1
121.10141	13.4
123.11702	11.8
125.09629	1.1
131.08554	8.3
133.10135	17.1
135.11690	9.1
145.10120	4.8
147.11681	3.7
149.13254	5.5
151.11176	6.0
157.10081	0.9
159.11693	5.8
161.13219	2.3
163.14868	1.6
169.12306	1.0
173.13242	2.4
175.14815	1.7
177.12787	1.5
183.13829	2.6
184.07298	4.1
187.13281	4.3
195.13777	1.9
201.14771	1.0
227.16443	2.9
243.15794	1.3
257.17401	2.3
259.20557	1.9
261.22092	2.4
269.17401	6.4
285.16895	1.3
301.20068	22.5
302.20480	0.9
335.25760	24.4
336.26242	1.2
411.32541	1.3
419.33130	1.2
437.33929	1.6
485.36356	3.3
503.37299	100.0
504.37698	8.2
517.39136	5.1
529.38977	16.3
530.38983	1.5
561.41486	75.8
562.42029	7.0
713.56409	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.9
55.01856	9.3
55.05261	2.4
55.05508	25.3
55.47919	1.8
57.03434	15.5
57.07059	2.9
61.02909	3.1
65.03931	5.1
67.05502	83.6
69.03417	6.2
69.06715	3.5
69.07063	34.1
69.33790	16.2
69.34203	4.8
71.04973	7.8
73.02911	2.5
74.26415	1.7
79.05489	67.3
81.03423	14.8
81.07054	100.0
83.04982	13.4
83.08613	21.6
85.02887	5.3
85.06520	5.7
86.09698	8.6
91.05478	47.5
93.07039	82.1
95.04974	15.8
95.08050	3.5
95.08606	37.3
97.02899	4.7
97.06528	18.7
97.10168	6.0
99.04458	2.0
99.08117	4.9
105.07024	31.9
107.04945	7.1
107.08593	50.1
109.06486	6.0
109.10161	10.9
111.08076	9.6
113.09637	2.0
115.05499	2.2
117.07023	20.6
119.08569	22.9
121.06491	4.6
121.10146	25.7
121.62036	1.6
123.08041	4.6
123.11717	4.4
124.99998	6.7
125.06050	1.9
125.09644	6.7
129.06990	6.9
131.08572	20.3
132.34169	2.0
133.10141	24.8
135.08061	3.7
135.11673	15.6
143.08560	4.7
145.10112	12.0
147.08072	2.6
147.11693	12.2
149.09605	12.8
149.13251	31.7
157.10135	4.6
159.11688	22.9
161.09648	2.6
161.13266	5.1
163.11174	8.6
165.12737	3.0
169.10164	3.2
173.04443	2.3
173.13264	3.4
177.12758	8.7
179.14328	2.6
184.07361	22.2
187.11125	3.3
189.11145	3.0
195.13806	15.1
211.13228	4.4
213.14922	2.4
227.12733	7.4
251.16484	3.2
255.15887	5.6
257.18872	8.5
259.20541	4.4
267.15848	5.1
269.17490	69.7
275.20087	27.9
280.38382	1.9
285.16907	4.0
319.15097	2.1
333.24014	2.9
335.25848	2.3
349.23767	20.4
365.23532	3.0
449.28873	21.7
463.30542	82.0
464.31097	2.2
525.35510	2.3
543.36621	32.9
561.37811	9.3
583.31921	2.2
607.34656	3.5
654.88074	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01865	8.5
55.05510	23.1
57.03439	18.0
59.05004	2.8
61.02915	5.3
65.03938	2.9
67.05501	78.3
67.30930	1.6
69.03415	3.0
69.07064	19.8
69.32304	20.0
71.01344	5.0
71.04991	5.7
79.05489	58.8
81.03427	12.8
81.07050	70.1
83.01330	2.4
83.04974	17.4
83.08613	13.9
85.02892	6.1
85.06544	2.5
91.05470	40.0
93.07039	63.7
95.04973	14.3
95.08601	47.9
97.02912	13.2
97.06535	8.3
97.10161	5.6
99.08057	2.2
101.04031	1.7
105.04464	1.8
105.07011	23.4
107.04961	11.7
107.08587	40.6
107.09299	2.7
109.06475	4.4
109.10147	20.6
111.04453	11.2
111.08115	4.9
117.07023	15.5
119.08572	20.2
121.06549	4.2
121.10138	32.4
123.08050	5.8
123.11715	5.2
125.06004	2.7
125.09628	5.3
129.07016	4.8
131.08580	17.2
133.10139	20.3
135.08069	4.2
135.11676	26.1
143.08578	3.8
145.10120	21.6
147.08020	3.2
147.11688	7.9
149.09546	3.6
149.13280	5.6
151.11140	2.1
153.12761	10.5
155.08539	2.5
159.11708	7.1
161.13223	4.9
163.11180	27.7
163.14830	2.4
171.11674	3.2
173.09613	6.5
173.13272	7.6
175.11226	2.3
181.12212	5.5
184.07310	4.4
185.13303	2.4
187.14774	3.3
191.10718	10.4
204.82343	2.0
209.11710	30.2
227.12675	10.8
243.21207	3.0
259.20572	2.8
261.22150	20.0
283.15366	54.9
299.23810	1.9
301.16455	45.0
303.23288	2.2
317.24844	3.3
333.23691	2.8
335.25778	100.0
336.26300	4.4
433.31201	3.8
451.32010	8.0
469.33081	5.9
525.35547	10.5
543.36786	65.7
544.37250	5.0
561.37805	37.0
616.87323	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.8
55.01862	12.6
55.05510	37.4
57.03423	25.3
67.05505	80.6
69.07058	25.1
69.32434	13.2
69.32843	47.8
79.05493	100.0
81.03413	65.7
81.07052	95.3
83.04971	20.8
83.08620	33.3
85.02901	27.3
86.09695	24.6
91.05478	93.3
93.07044	77.5
95.04953	32.2
95.08588	44.2
97.06515	8.5
97.10185	17.4
98.21580	9.7
105.07034	95.0
107.04936	10.4
107.08591	55.9
108.09853	5.3
109.06521	9.1
109.10171	18.5
111.08084	8.3
117.07017	22.3
119.08576	68.8
121.10143	30.9
123.11658	8.6
124.99995	11.9
125.09600	10.9
129.07008	21.2
131.08557	53.0
133.10135	52.5
135.11667	19.0
135.80783	5.3
143.08543	9.1
145.10143	23.5
147.11713	42.3
148.69138	6.4
149.09654	9.0
149.13264	16.4
157.10135	28.2
158.47099	6.0
159.11699	24.8
161.13245	20.6
165.12750	6.0
171.11684	13.5
173.13307	15.6
175.11258	15.8
175.14754	12.3
184.07335	66.7
185.13200	9.5
193.12236	44.3
199.14796	9.6
211.13261	53.0
227.12752	12.0
231.21098	8.9
241.19521	24.7
259.20569	60.6
267.15939	16.5
267.22083	6.5
269.17493	17.4
275.20020	10.3
283.15472	7.5
285.16983	70.1
303.57666	6.1
314.45715	5.9
333.24265	43.6
349.23605	14.3
370.51569	6.2
371.31448	5.8
433.30981	11.3
433.77118	6.2
439.26834	6.4
451.31982	7.1
463.30240	6.5
525.35590	25.8
543.36621	77.9
548.10303	7.3
587.55743	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	758.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01870	13.4
55.05511	30.5
57.03432	19.9
57.07066	3.9
61.02916	6.5
65.03924	2.3
67.05504	73.1
67.81966	1.5
69.03415	4.9
69.07064	20.7
71.04982	2.5
73.02910	6.4
79.05491	55.9
80.06261	1.7
81.03412	13.6
81.07052	68.8
82.04188	5.1
82.86367	1.4
83.04974	11.8
83.08617	17.0
85.02892	4.9
85.06532	2.9
89.33503	1.2
91.03947	2.5
91.05479	37.8
93.07042	57.2
95.04961	18.3
95.08604	44.7
96.05781	1.4
97.02892	4.4
97.06521	8.8
97.10157	12.8
98.07308	8.4
99.08087	3.0
101.06039	1.2
105.07029	27.7
107.04940	5.8
107.08589	29.0
109.06493	4.2
109.10152	23.5
111.04414	2.5
111.08096	6.4
116.04688	11.8
117.07011	9.4
119.08564	22.2
121.06512	2.8
121.10128	17.1
123.08044	5.4
123.11710	7.1
125.09612	12.3
125.99198	1.2
129.05472	30.1
129.07008	5.4
131.08582	15.8
133.10118	16.7
135.08070	3.0
135.11696	16.1
137.09608	3.5
137.13269	2.3
139.11154	1.2
143.07034	7.3
143.08548	2.0
145.10107	12.3
147.08025	1.8
147.11678	11.4
149.09583	3.3
149.13271	7.1
157.08591	14.3
157.10101	5.0
158.05685	1.4
159.11681	6.9
161.13251	5.8
163.11157	3.3
163.14796	4.2
171.10110	4.9
171.11566	2.3
173.13283	6.0
175.11136	3.4
175.14836	2.3
185.13217	1.7
187.14848	1.9
189.11189	7.8
193.12245	10.4
199.13286	4.5
200.14099	2.4
201.16380	3.2
209.11668	3.4
211.13232	4.0
227.12784	10.6
229.14389	2.6
243.21101	6.0
259.20560	3.2
261.22104	13.2
267.15952	6.7
277.21698	3.1
283.15488	3.3
285.17139	1.5
301.16437	70.4
302.16623	2.2
315.23230	2.0
317.24686	3.0
333.23892	1.6
335.25775	100.0
336.26035	5.0
489.35983	1.5
527.37219	5.6
543.36792	1.9
544.36859	1.7
561.37830	82.9
562.38171	5.4
738.93494	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.3
55.01870	14.7
55.05269	3.4
55.05507	46.5
57.03197	2.2
57.03437	28.4
57.07074	3.7
61.02901	4.9
65.03919	7.5
67.05500	100.0
68.05826	2.3
69.03399	6.9
69.07059	23.8
69.44246	17.7
69.49318	1.8
71.04978	5.8
73.02900	7.3
79.05488	75.0
81.02982	2.6
81.03418	31.8
81.06587	4.0
81.07052	79.1
82.03698	1.8
82.04173	3.7
83.04981	17.4
83.08619	16.4
85.02892	9.5
85.06524	4.3
86.09715	2.5
91.03936	2.2
91.05467	44.2
93.07034	68.4
93.86922	1.7
95.04958	26.3
95.08602	49.9
97.02883	11.1
97.06550	12.0
97.07044	2.1
97.10162	19.6
98.07291	5.9
99.04472	1.8
99.08099	2.1
105.06400	2.6
105.07033	36.6
107.04946	12.4
107.08585	43.0
109.06485	8.6
109.10154	28.1
111.04424	4.8
111.08041	7.5
115.05515	1.8
116.04703	15.8
117.07001	16.5
119.08569	28.5
121.06463	3.6
121.10142	29.9
123.08045	5.8
123.11682	5.3
124.99967	2.1
125.09599	15.0
129.05476	37.5
129.06972	9.9
129.07825	1.8
130.07834	1.8
131.08536	23.6
133.10132	16.7
135.08057	3.8
135.11682	23.8
137.09595	2.3
139.11212	2.2
143.07007	7.9
143.08575	4.5
145.10118	18.2
147.08023	2.5
147.11667	14.7
149.09593	4.1
149.13197	9.7
153.12700	6.1
155.08430	2.1
157.08556	14.0
157.10066	5.0
159.11679	7.7
159.12936	2.0
159.76648	1.8
161.13213	7.0
163.11183	13.5
163.14810	2.5
171.10173	6.1
171.11699	2.5
173.09560	3.3
173.11748	3.4
173.13269	6.4
175.11182	5.2
175.14799	2.1
177.12694	2.1
181.12183	3.1
184.07350	11.3
185.11731	2.0
187.14864	2.3
189.11191	9.8
193.12273	10.0
199.13222	7.6
209.11581	5.9
211.13327	5.6
227.12740	16.7
229.14166	2.6
232.34418	2.0
243.21043	4.3
259.20490	3.8
261.22168	13.4
267.15891	10.7
268.16266	4.2
277.21616	3.1
283.15497	11.0
301.16431	95.6
302.17188	2.3
335.25763	83.4
336.26062	7.4
337.26529	2.4
351.25446	2.7
386.56348	2.4
416.26764	2.1
426.50336	2.0
527.37091	5.8
543.36200	5.5
545.38721	3.2
561.37769	44.8
562.37744	2.6
763.72748	2.2
784.96008	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85538	2.3
55.05507	2.8
57.07071	3.6
61.02911	6.2
67.05499	7.4
69.07056	2.5
73.02921	2.7
78.08212	2.8
79.05497	5.9
80.05849	2.3
81.03416	4.8
81.07052	10.7
83.08587	4.4
85.02888	6.5
86.09705	3.4
91.05473	3.6
93.07039	6.2
95.04961	2.7
95.08601	5.9
97.02962	2.9
97.06501	4.8
105.06984	2.9
109.10184	2.7
119.08595	4.9
133.10201	2.6
133.48605	2.5
154.20413	2.3
154.70062	2.3
161.74593	2.6
163.11166	3.2
176.64110	2.3
184.07254	14.7
185.07765	3.4
215.78278	2.7
233.65170	2.4
268.98740	2.6
283.15417	14.2
284.15869	7.7
305.04947	2.7
329.53708	2.9
351.28906	3.8
352.29321	7.8
497.30554	4.0
501.23178	11.7
560.40070	6.1
689.36554	2.7
757.47015	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.1
55.01867	7.2
55.05511	39.7
57.03443	21.6
60.08165	4.1
61.02901	5.4
67.05504	80.8
69.03410	9.7
69.07062	24.3
69.99079	19.3
71.04971	9.5
71.07359	4.7
71.15229	3.3
72.04509	4.7
72.40636	3.4
79.05067	6.3
79.05492	82.7
81.03411	59.7
81.07051	86.9
83.04956	20.0
83.08620	30.8
83.66531	3.3
85.02898	29.0
85.06512	4.1
86.09700	27.5
91.05476	100.0
93.07034	84.0
95.04957	30.3
95.08601	33.3
97.02892	7.6
97.06524	11.5
97.10159	11.8
100.24654	3.4
100.51284	3.8
105.04498	6.1
105.07032	86.6
107.04953	9.4
107.08598	43.2
109.06496	10.7
109.10146	20.4
111.04446	3.6
111.08057	10.9
117.07023	23.6
119.08587	62.1
121.10151	27.9
123.08052	5.6
123.11718	5.0
124.99971	9.9
125.09614	9.6
127.03953	4.5
129.06995	23.9
131.08585	42.1
133.10115	62.2
135.08028	4.4
135.11679	18.7
142.07739	5.4
143.08578	11.8
145.10086	28.5
147.11670	51.0
149.09604	8.2
149.13245	15.3
153.12685	4.0
155.08470	5.1
157.10117	23.0
159.11652	25.4
161.13225	24.4
163.11200	7.4
164.87466	3.5
165.12798	6.9
169.10092	5.0
171.11682	14.3
173.13248	14.0
175.11198	17.7
175.14781	9.7
183.11650	5.2
184.07327	70.1
185.13191	9.3
187.14787	4.4
193.12270	47.1
195.11723	3.6
199.14810	4.9
211.13257	56.5
227.12785	13.5
229.14467	4.1
241.19464	29.7
259.20569	65.3
267.15909	22.6
269.17490	23.9
275.20004	11.4
283.20483	3.6
285.16962	68.9
315.23145	7.0
333.24188	46.5
349.23489	4.7
402.14316	3.9
433.31277	6.6
439.26776	8.1
451.32047	4.5
469.32825	4.2
515.37170	4.7
525.35651	22.3
543.36816	85.0
596.41241	7.0
759.39252	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	756.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.1
55.01863	3.6
55.05508	19.1
57.03433	18.9
65.03922	1.9
67.05504	62.8
69.03426	3.5
69.07058	16.8
71.04977	5.6
71.57755	1.8
79.05492	45.2
81.03416	91.8
81.07053	60.6
83.04979	7.9
83.08620	17.8
85.02885	2.3
85.06537	2.7
86.09698	7.0
86.10198	1.7
91.05476	32.7
93.07042	48.1
95.04955	29.6
95.08603	45.6
97.02895	3.5
97.06525	5.0
97.10159	6.4
105.07034	26.2
107.04958	9.2
107.08597	22.3
109.06499	6.7
109.10162	21.7
111.04432	2.8
111.08092	6.7
117.07009	8.5
119.08583	22.7
121.06516	3.9
121.10141	20.9
122.90244	1.5
123.04427	2.4
123.08086	5.5
123.11688	6.6
124.99998	4.8
125.09641	3.7
129.06993	12.5
131.08562	20.7
133.06505	4.3
133.10112	13.4
135.08031	1.9
135.11650	11.0
137.09654	2.4
137.13228	2.4
142.07837	3.6
143.08673	2.3
145.10133	11.8
147.08055	4.1
147.11670	11.6
149.09621	5.4
149.13243	7.3
155.08478	1.6
157.10103	11.1
159.11693	6.2
161.13277	5.2
162.82628	1.6
163.11229	3.8
163.14856	2.9
165.12755	1.6
169.10133	2.5
171.50839	1.9
173.13271	6.2
175.11201	6.7
175.14767	4.1
184.07335	24.0
185.13211	1.6
187.14851	3.3
189.11201	3.5
193.12230	27.2
211.13249	2.9
227.12801	5.2
243.21075	4.8
249.14882	2.5
261.22104	17.2
267.15906	100.0
301.25229	6.7
309.17160	2.0
317.24823	4.4
335.25781	72.1
435.27396	2.1
435.32602	3.7
453.33704	8.7
471.34598	4.2
527.37323	55.2
528.37952	2.6
545.30518	2.5
545.38458	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.2
53.03935	0.3
55.01863	0.4
55.05494	0.3
65.03925	0.1
67.05481	0.3
69.03409	0.3
69.07036	0.2
70.06577	0.2
70.27106	0.4
79.01849	6.2
79.05480	0.7
80.02180	0.1
81.03422	1.6
81.07036	0.2
83.04987	0.1
84.45762	0.1
84.89028	0.1
85.02914	0.2
86.79230	0.1
87.37347	0.1
91.05487	0.7
93.07042	0.8
95.04964	0.5
97.02891	1.4
98.20803	0.1
99.04409	0.1
103.05470	0.6
105.07050	0.1
107.01320	1.2
107.04917	0.2
109.02876	2.3
109.03596	0.2
111.04445	0.1
111.08081	0.2
115.05502	0.1
119.08609	0.1
121.06499	1.9
123.00793	0.3
123.08058	0.4
125.02345	4.0
127.03915	2.7
131.04915	0.7
131.08661	0.1
133.06471	0.1
137.05945	0.2
139.07561	0.5
143.03395	9.6
145.06464	0.1
147.11523	0.1
149.06033	0.1
151.07559	0.1
153.01823	100.0
153.02812	4.1
154.02151	1.0
159.04425	0.7
161.06017	0.1
163.03915	0.2
167.07034	0.3
171.02914	0.2
177.05380	0.6
179.03462	0.1
181.01331	0.4
183.02979	0.2
187.03856	0.3
191.03487	0.2
197.00800	0.2
201.09082	0.1
205.04959	0.8
207.02864	0.1
215.03374	0.5
217.04955	0.3
233.04457	1.6
235.02428	0.1
243.02824	0.5
245.08093	0.1
247.09700	0.3
261.03940	1.7
273.07562	0.7
279.04941	1.6
287.05618	0.1
291.08710	0.1
297.06134	0.1
303.05075	0.5
305.02905	0.2
339.12314	0.1
351.12140	0.1
449.07150	0.2
639.92694	0.1
661.14191	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	757.2179
Annotation	Kaempferol 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
57.03425	1.8
59.04987	0.5
61.02922	0.6
69.03413	1.6
70.13029	2.1
70.77855	0.4
71.04994	9.6
81.03413	0.9
83.04964	1.5
85.02906	17.5
85.79762	0.5
91.62156	0.4
97.02880	2.0
99.04460	0.4
104.42879	0.5
107.43203	0.5
109.02815	0.6
111.04416	0.9
115.22944	0.4
121.02846	1.9
127.03894	2.0
129.05457	5.7
133.02876	0.6
137.02325	0.5
145.04945	1.1
147.04369	0.5
147.06482	2.2
153.01808	2.6
165.01823	1.3
183.02866	0.8
203.03391	1.4
213.05417	1.2
219.02727	0.6
247.02328	1.0
258.05234	1.1
259.02127	0.6
277.03461	1.5
287.05496	100.0
288.05914	2.8
303.01382	0.6
329.06531	0.9
347.72290	0.5
449.10675	1.1
553.88409	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.7
55.01873	26.1
55.05516	27.6
57.03439	17.2
62.46865	4.5
67.05508	62.2
69.03408	5.4
69.07060	34.0
71.04990	5.8
79.05492	46.2
81.03423	50.2
81.07048	80.1
83.04988	19.1
83.08609	26.6
85.02892	17.9
85.06517	6.0
87.25996	4.4
91.05482	73.4
92.58128	4.4
93.07038	62.7
95.01368	6.1
95.04957	24.4
95.08609	41.6
97.02881	7.1
97.06541	27.2
97.10179	8.1
98.20707	8.2
105.07029	94.8
105.07675	6.1
107.04950	24.3
107.08585	25.2
108.08020	4.5
109.06509	12.9
109.10176	14.8
111.08091	4.7
117.07018	15.4
119.08582	52.2
121.06554	6.4
121.10163	18.4
123.08132	7.4
125.00005	4.1
125.09640	4.6
129.07011	14.2
131.08569	30.8
131.10156	5.0
133.01030	4.5
133.10138	51.4
135.08087	8.7
135.11638	7.6
143.80585	4.4
145.10089	20.9
147.08067	4.4
147.11720	27.7
149.09625	14.6
149.13271	6.7
157.10149	15.7
159.11725	15.0
161.13266	8.2
163.11177	8.8
173.13161	5.5
175.11192	7.9
177.12772	7.8
178.73843	4.5
179.14342	13.7
184.07317	10.9
193.12242	24.9
211.13284	28.5
227.12807	7.2
229.37636	4.3
232.00124	4.2
259.20578	5.4
267.15930	33.3
275.20053	82.6
275.22797	6.7
285.16949	67.6
290.05539	4.4
314.34314	5.0
333.24426	5.9
349.23694	40.7
541.35248	67.1
559.36230	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.9
55.01862	20.8
55.05516	35.7
57.03427	18.7
57.07100	5.0
59.19319	5.1
61.02903	4.7
66.15375	4.6
67.05508	74.3
69.07054	17.4
70.82992	9.5
70.83384	9.7
71.04980	13.2
79.05495	79.5
81.03423	24.5
81.07059	75.6
83.01308	4.9
83.04976	16.9
83.08604	29.4
85.02905	14.1
85.06548	9.3
86.09724	15.6
88.10677	4.7
91.05483	100.0
93.07040	92.9
95.04972	21.2
95.08612	46.2
97.06549	12.8
97.10145	9.6
105.07041	72.1
107.04964	13.3
107.08598	54.2
109.06522	13.2
109.10132	10.3
111.08055	6.9
115.05414	5.5
117.07015	26.0
117.89411	4.5
119.08587	65.8
121.06561	6.1
121.10140	29.4
123.08060	9.1
125.00008	10.4
125.09641	11.4
129.05528	6.1
129.07013	9.6
131.08594	30.9
133.10138	47.2
135.08040	6.4
135.11722	32.0
137.09612	4.7
143.08560	10.9
145.10130	37.7
146.08435	4.7
147.11703	40.6
149.09607	5.8
149.13243	14.1
153.12630	6.8
155.08508	5.2
157.10101	14.7
159.11742	24.7
161.13280	25.6
163.11148	27.4
167.48087	4.4
169.10037	6.1
171.11737	10.6
173.13228	9.7
175.14799	12.0
184.07358	51.3
185.13214	11.0
189.11139	6.3
191.10774	5.3
193.12199	7.6
199.14883	6.7
209.11679	11.4
227.12842	16.5
231.21065	5.1
241.19534	31.6
257.18958	5.8
259.20587	73.0
267.15906	6.3
271.84778	5.1
275.19989	16.2
283.15399	99.0
285.16870	15.4
291.19531	6.5
297.22128	9.4
315.23227	14.9
333.24252	54.8
338.85211	4.7
349.23666	13.9
354.40155	4.4
354.57977	4.4
369.83301	4.6
429.02341	5.5
449.30756	8.0
467.31757	7.7
523.34039	11.4
541.35333	83.8
559.36407	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	756.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.2
55.01867	16.9
55.05508	53.7
57.03436	32.4
57.07069	6.0
59.04999	40.3
61.02920	5.8
65.03947	3.6
67.05502	100.0
69.03429	9.8
69.07064	12.9
69.44353	17.1
71.01334	2.7
71.05000	13.9
73.02915	9.0
79.05490	42.3
79.05959	2.4
81.03414	25.9
81.07050	44.4
82.04187	3.4
83.04977	21.2
83.08611	21.7
85.02888	14.6
85.06545	4.8
87.03931	3.1
87.04463	53.5
91.03947	3.1
91.05479	33.8
93.07034	24.0
94.04211	1.9
94.07851	2.3
95.04972	18.5
95.08604	18.4
97.02876	12.3
97.06539	11.6
97.10168	37.4
98.07323	5.3
99.04448	22.3
99.08143	2.0
101.06060	2.1
105.07026	17.5
107.04969	8.2
107.08582	24.2
109.02880	2.3
109.06516	7.6
109.10149	71.6
111.04448	7.9
111.08065	10.5
115.03867	1.7
116.04683	14.7
117.07014	5.1
119.08569	19.1
121.06500	5.1
121.10132	10.7
123.04390	2.4
123.08075	6.4
125.05916	2.0
125.09622	36.1
127.03855	1.9
127.11171	2.8
129.05484	28.5
129.06993	6.6
131.08595	9.0
133.10123	9.3
135.08057	2.9
135.11673	10.1
137.09607	8.1
139.30424	2.1
143.07043	7.9
143.10663	2.8
145.06506	2.8
145.10092	10.7
147.08012	3.3
147.11673	5.7
149.05916	2.1
149.09631	3.7
153.01854	2.5
153.09106	1.9
153.12778	5.0
155.10710	6.3
157.08607	16.5
157.10109	5.2
163.11183	12.0
165.12711	3.7
171.06491	3.9
171.10231	3.2
173.09624	3.9
173.11739	27.4
175.11140	3.0
177.00854	1.5
181.12213	4.0
183.06439	1.6
184.07397	4.4
185.08107	2.7
185.11725	4.1
189.11221	9.0
191.10652	3.8
193.12219	8.9
197.52988	1.8
199.09630	4.8
199.13278	17.0
200.14096	6.0
209.11737	14.6
210.12614	2.2
211.13300	6.2
217.14351	2.8
223.13298	3.1
227.12794	18.2
229.14342	56.7
236.08253	1.9
241.14272	2.8
242.15051	2.6
255.15895	5.0
257.13861	3.2
267.15903	11.9
283.15384	13.0
283.18753	3.2
287.18549	3.7
301.16461	46.9
305.05951	2.2
311.18344	1.9
315.17996	6.2
326.24350	3.0
329.16043	2.2
421.26349	2.5
437.25146	3.6
438.26245	5.6
443.26410	5.7
455.26382	38.2
477.28220	2.7
541.30145	12.5
559.30957	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	756.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.7
55.05509	14.7
57.03433	9.3
66.53956	0.9
67.05505	17.5
69.03419	3.8
69.07067	4.8
71.04978	4.0
74.45043	1.0
79.05492	17.6
79.45470	0.8
81.03414	48.2
81.07054	19.0
83.04951	4.1
83.05395	0.8
83.08611	14.9
85.02903	1.4
85.06541	1.9
89.82570	1.0
91.05473	15.8
93.06474	1.3
93.07040	14.7
95.04965	20.7
95.08610	10.4
97.02870	1.8
97.06533	2.0
97.10179	14.1
98.20713	1.9
103.60278	1.0
105.07035	10.3
107.04938	13.1
107.08600	12.1
109.02882	1.2
109.06515	9.1
109.10171	5.2
111.08057	4.3
117.07025	4.5
119.08598	9.0
121.06514	9.7
121.10137	7.7
123.04404	2.1
123.08065	4.5
123.11657	1.2
125.09618	14.6
129.06981	6.6
131.04872	2.3
131.08549	10.0
133.06514	4.7
133.10110	4.3
135.08025	5.7
135.11679	1.7
137.05977	1.8
137.09615	1.6
139.11172	1.5
141.06978	1.5
143.08582	3.1
145.06464	6.4
145.10112	4.5
147.08038	3.9
147.11653	5.8
149.09656	4.8
149.10617	1.0
153.01862	1.6
153.09076	3.2
157.06529	2.0
157.10117	5.9
159.11696	1.8
161.09601	2.1
163.11191	3.4
165.12772	1.0
169.10059	1.3
171.08022	2.2
171.11674	2.5
173.09608	2.4
173.13242	1.4
175.11087	5.0
183.11626	0.9
185.09602	1.6
185.13269	1.2
187.11104	1.3
189.09697	1.3
189.11205	7.4
189.12756	1.8
191.14282	1.5
193.12227	13.7
195.11667	1.4
197.13274	1.9
205.12059	1.2
211.13336	1.2
215.14293	2.5
219.13846	2.3
223.13231	1.5
227.12646	2.5
233.15434	4.8
235.13286	1.1
239.14363	1.3
245.15512	1.7
249.14847	1.3
255.13844	2.4
257.15494	1.4
267.15903	38.1
271.16977	1.4
273.14590	5.4
281.15268	1.4
293.17511	2.1
321.22095	1.4
339.23163	1.9
349.21527	4.3
357.24243	2.5
367.22702	15.3
377.99866	1.0
385.23712	25.4
403.24756	9.5
405.24268	1.3
441.26492	8.7
459.27402	100.0
460.27585	2.8
477.28473	82.6
478.28778	1.7
491.30087	12.5
501.28281	2.6
509.31024	4.5
541.33557	1.4
567.29480	1.8
671.67401	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.8
55.01870	18.9
55.05513	39.7
57.03437	34.5
57.07100	3.2
59.05002	50.9
61.02922	8.6
67.05505	100.0
69.03430	10.0
69.07061	14.8
71.01363	2.5
71.04997	13.7
73.02911	8.4
74.63203	1.9
79.05492	31.8
81.03419	23.6
81.07054	39.1
81.91624	1.9
82.04185	3.5
83.04976	17.5
83.08616	17.9
84.02103	2.3
85.02898	12.4
85.06547	4.4
87.04468	58.8
91.05476	29.5
93.07034	30.1
95.04969	20.0
95.08607	13.9
95.26431	1.9
97.02903	8.6
97.06540	10.7
97.10166	27.8
98.07317	6.5
99.04472	13.4
105.07006	14.7
107.04958	9.6
107.08591	21.6
109.02845	2.1
109.06503	4.9
109.10152	82.1
111.04468	5.0
111.08088	5.4
115.05498	2.5
116.04691	11.1
117.07030	8.2
119.08565	16.5
121.06457	4.1
121.10165	10.6
123.08054	5.7
125.09632	25.6
127.03889	3.4
127.11202	2.1
129.05484	32.0
129.06990	4.5
131.08557	5.0
133.10139	7.6
135.08014	2.8
135.11684	7.5
137.05981	4.3
137.09610	6.8
143.07014	6.3
143.10641	3.1
145.10103	10.2
147.08069	3.3
147.11714	4.8
149.09627	2.8
153.12740	3.5
155.10645	3.6
157.08607	13.7
157.09944	3.5
163.11182	15.1
170.93710	2.1
171.06506	3.8
171.10161	5.1
173.09619	2.7
173.11739	27.5
175.11157	2.6
179.10756	2.9
181.12212	2.4
184.07356	4.4
189.11192	6.3
191.10573	2.5
193.12294	7.1
199.09698	3.6
199.13356	14.8
200.14050	2.8
201.14847	3.4
209.11697	5.5
211.13304	4.7
223.13161	2.5
227.12802	13.9
229.14339	61.9
230.14542	2.6
255.16057	5.5
267.15958	9.4
283.15408	11.0
283.18802	2.6
301.16422	35.9
301.19617	2.9
311.18561	2.3
315.18005	3.7
326.24506	3.2
356.14352	2.7
362.89917	2.3
421.26147	5.0
438.26224	5.9
455.26419	34.0
541.30164	10.9
541.56738	2.5
559.31232	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	755.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	15.9
55.01875	33.1
55.05511	45.1
57.03430	19.7
57.07061	5.4
61.02909	8.1
67.05181	6.0
67.05506	78.4
69.03437	26.2
69.07062	42.2
69.38763	4.0
70.97878	4.1
71.01343	4.1
71.04980	11.0
71.57882	6.3
73.02902	7.7
73.10666	3.7
79.05489	69.9
81.03418	65.8
81.07056	100.0
83.04977	27.6
83.08617	32.7
85.02895	23.5
85.06533	5.9
91.05477	78.6
93.07033	59.2
95.04973	36.2
95.08592	38.0
97.02890	22.8
97.06540	39.1
97.10161	11.8
99.04455	8.2
99.34573	4.4
100.32269	3.9
105.07034	63.6
107.04959	28.1
107.08592	38.2
109.02888	9.2
109.06533	12.0
109.10162	28.8
111.04440	4.4
111.08088	11.9
117.07026	19.6
119.08579	42.0
121.06491	9.1
121.10136	24.9
123.04438	7.1
123.08053	16.9
123.11659	7.7
125.09641	9.2
127.03893	5.3
129.05473	11.3
129.07014	9.1
131.08562	25.9
133.06447	5.1
133.10143	24.8
135.08038	16.9
135.11699	14.3
137.09642	6.9
139.07530	4.0
142.07791	4.5
143.08427	6.0
145.06569	4.0
145.10094	20.4
147.08087	11.2
147.11737	22.2
149.09627	26.0
149.13252	5.5
153.09108	4.3
157.10051	11.1
159.11694	9.9
161.09563	7.4
161.13243	5.3
163.11140	14.1
163.14755	3.9
163.57693	3.9
165.12706	6.1
169.10089	7.2
172.06104	4.2
173.11809	6.6
173.13206	6.3
175.11162	10.2
177.12753	6.4
187.11081	6.0
189.11218	4.8
193.12254	20.9
205.12029	4.1
211.13269	34.4
219.62175	5.3
227.12737	8.7
229.14363	9.1
235.54463	4.9
257.19012	6.3
267.15839	17.4
269.17462	5.6
273.18646	10.6
275.20071	30.0
285.16977	20.9
291.19449	26.1
301.16507	10.9
349.23602	13.8
365.23160	9.2
453.28989	6.0
495.28452	4.3
539.33087	6.1
540.33875	9.0
544.80853	4.5
557.34723	11.8
558.35291	5.3
559.36243	6.3
575.35535	19.3
593.36627	5.1
662.12048	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	755.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01868	1.7
55.05498	0.7
55.72879	0.2
64.50520	0.2
67.05508	0.7
69.03426	3.4
69.07076	0.2
69.94782	0.6
71.01342	0.3
77.03915	0.5
79.01855	4.3
79.05493	6.8
81.02975	0.4
81.03413	4.3
81.07056	0.5
83.04966	0.3
83.07404	0.2
83.08613	0.6
85.02904	1.2
91.04897	0.3
91.05477	5.8
93.07040	5.8
93.42778	0.2
95.01334	0.2
95.04964	3.6
95.08627	0.4
97.02895	2.5
97.06520	0.6
99.04444	0.5
103.05462	0.7
105.04527	0.5
105.07046	0.4
107.01289	0.9
107.04939	0.6
109.02872	2.4
109.06512	0.4
111.04462	0.2
111.08071	1.0
117.07050	0.5
119.93683	0.2
121.02890	0.3
121.06502	4.1
121.61210	0.2
123.00776	0.5
123.08108	0.2
125.02335	3.4
127.03916	9.5
129.06960	0.3
131.08537	0.3
133.06506	0.3
135.08067	0.8
137.02309	0.3
137.05945	0.4
139.07542	3.9
143.03392	7.1
145.04887	0.2
145.06512	0.2
147.07976	0.3
148.76282	0.2
153.01823	100.0
154.02161	0.8
159.04378	0.5
163.03918	0.5
163.07535	0.8
165.01999	0.3
171.02940	1.2
175.07542	0.5
177.05417	0.2
177.09109	0.3
179.03438	0.3
181.08585	1.7
191.03349	0.6
193.08498	0.3
195.02904	0.6
201.05504	0.3
201.09172	0.3
205.04990	0.6
205.08530	0.3
207.02892	1.1
213.03951	0.9
227.07253	0.2
229.04950	0.9
229.08614	0.3
233.04494	0.6
237.03973	0.7
247.09705	0.9
257.04602	0.4
261.04080	0.5
265.10678	0.3
273.07523	1.1
279.05020	0.6
283.11783	0.4
297.06073	5.4
303.04987	15.6
315.07162	0.5
345.06393	0.2
417.12067	0.4
430.62634	0.2
435.12967	1.3
462.23114	0.3
485.79419	0.3
599.09644	0.4
724.68701	0.2
765.84595	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.7
57.20255	2.8
67.05503	5.1
69.03419	18.5
71.37151	6.2
79.05483	8.3
81.03403	6.7
81.07056	18.4
83.04990	3.4
85.02904	63.9
91.05441	15.8
93.07031	8.4
95.04959	5.7
95.08575	8.0
97.02877	5.8
99.04440	8.8
105.07028	34.2
107.04903	3.3
107.08587	13.5
109.02850	3.2
109.06522	10.4
109.10162	16.2
117.07030	6.1
119.08581	36.7
121.06483	3.7
121.10132	26.7
123.08067	8.1
123.11698	72.8
125.05988	9.8
125.09718	3.9
127.03892	5.9
130.07785	4.1
131.08572	9.4
133.06461	10.0
142.07816	3.2
143.08577	3.7
145.10109	23.1
147.08060	4.4
147.11693	55.1
149.09618	77.9
151.07561	5.9
156.09346	9.1
159.08022	3.7
161.13239	3.8
163.11157	3.3
165.12749	4.4
167.10670	11.7
171.11705	7.9
174.10461	5.7
182.97516	2.6
189.12738	100.0
207.13788	71.4
207.77953	3.5
225.14825	63.0
249.14813	4.0
333.16907	8.7
343.21738	3.0
351.17960	22.5
369.19037	47.8
387.20032	10.2
394.27704	2.9
431.27664	4.8
467.74487	2.9
512.06677	2.8
575.31781	3.4
592.42303	3.4
737.37225	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	754.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.0
55.01870	7.5
55.05510	32.9
57.03439	19.5
57.07074	4.8
61.02918	7.2
65.03940	5.3
67.05503	93.2
69.03422	7.3
69.07057	20.3
69.37699	8.6
69.38118	13.5
71.04980	5.7
71.08630	3.0
73.02902	2.4
79.05489	61.7
81.03430	13.3
81.06581	4.9
81.07053	82.0
83.04966	10.7
83.08604	19.9
85.02888	8.1
85.06522	3.2
86.09711	4.3
91.05485	40.5
93.07039	55.4
95.04972	29.4
95.08604	47.7
97.02899	4.5
97.06499	6.4
97.10173	21.5
105.07030	23.4
107.04945	8.7
107.08584	38.5
107.63448	2.3
109.06507	3.5
109.10156	32.2
111.08080	5.0
117.07017	15.2
119.08567	23.4
121.06514	6.0
121.10106	17.7
123.08051	4.6
123.11718	7.1
124.99967	3.2
125.09617	16.5
129.07040	3.7
131.08580	23.2
133.10132	15.7
135.07999	5.6
135.11687	14.5
137.09656	3.4
143.08556	4.8
145.10144	18.1
147.11664	9.1
149.13278	12.8
157.10187	2.9
159.11684	14.0
161.13249	4.3
169.10098	5.3
173.13258	3.5
177.12750	7.0
184.07321	14.8
186.53261	2.3
187.11241	4.1
187.14786	4.9
189.11221	12.1
199.13231	2.7
205.12192	4.1
223.13268	56.8
223.31700	2.8
227.12779	6.7
227.36752	2.4
229.14351	10.5
261.22302	12.5
261.24475	2.3
268.20749	2.4
271.17520	2.3
297.13571	5.4
297.16962	100.0
298.17450	2.8
313.27420	7.8
335.25781	67.9
447.32324	2.4
448.44125	2.5
467.37549	5.1
489.35526	6.2
529.38989	3.6
539.37531	4.8
557.38416	39.3
558.38763	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	755.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	0.3
53.03948	1.2
55.01869	1.0
55.05502	0.9
57.10978	0.3
61.72974	0.3
67.05482	0.3
69.03424	2.7
69.28384	2.9
71.04999	0.3
79.01854	7.2
79.05497	2.8
79.44300	0.3
79.57346	0.3
80.02161	0.4
81.03411	3.5
81.07054	0.4
83.08601	0.5
85.02904	0.7
91.05476	2.6
93.07037	3.1
95.04965	2.3
97.02882	3.5
97.06465	0.2
99.04423	0.5
103.05476	0.9
105.07008	0.3
107.01322	1.5
107.04953	0.3
109.02881	2.7
111.04422	0.3
111.08085	1.2
115.05455	0.3
119.04970	0.3
121.02858	0.7
121.06507	3.0
123.00746	0.3
123.08059	0.3
125.02351	4.7
127.03907	3.9
128.04306	0.4
131.04936	0.5
137.05949	0.4
139.07544	1.9
140.94034	0.2
143.03394	9.9
145.03851	0.3
145.04898	0.3
147.04393	0.8
153.01826	100.0
153.02802	3.9
154.02161	6.7
154.03232	0.3
155.02277	2.3
157.02884	0.5
159.04454	0.3
161.06033	0.3
163.03882	0.4
171.02885	0.8
173.02377	0.3
175.03952	1.2
179.03380	0.5
185.02321	0.4
187.03941	2.1
191.03395	0.8
195.02895	0.3
201.01825	0.8
203.03392	1.5
205.04974	0.9
207.02934	0.5
213.01839	1.4
215.03429	1.7
219.02893	0.3
229.01279	0.5
229.08762	0.3
231.02881	8.0
233.04477	0.6
237.03935	0.7
241.01317	1.5
247.02422	0.7
247.09738	0.3
257.00760	1.2
259.02368	12.0
260.03110	0.3
261.04013	0.5
273.07544	0.3
275.01828	2.1
276.02744	0.6
277.03430	40.0
278.03790	0.8
280.05453	0.3
285.00388	1.2
287.05469	2.6
288.05811	1.9
289.06100	1.0
297.06061	1.1
303.01358	16.3
303.04572	0.6
305.02930	0.4
315.01315	0.3
321.02420	0.8
331.00775	0.5
363.03320	0.3
385.71524	0.3
395.07504	0.3
423.06940	0.8
429.04352	0.8
447.05417	0.8
737.12109	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	11.1
55.05516	15.0
55.11581	2.8
56.72750	2.7
57.03427	5.2
65.03944	3.5
67.05502	28.9
68.58900	2.6
69.07077	18.0
71.04981	4.9
76.39147	3.0
79.05491	30.3
81.03415	12.0
81.07052	39.8
83.01339	5.0
83.04962	11.0
83.08607	8.2
84.70765	2.5
86.09679	3.0
91.05474	41.7
93.07040	31.6
95.01328	4.6
95.04951	10.6
95.08607	17.0
97.06510	16.3
98.20768	5.4
99.04440	3.3
99.24891	3.3
105.07025	50.7
107.04942	12.0
107.08575	19.3
109.06504	5.7
109.10139	5.6
111.04413	3.7
117.06998	9.1
119.08581	30.6
121.06490	4.9
121.10126	9.2
123.07983	3.3
125.05968	3.4
131.08572	13.4
133.10104	21.1
135.08032	4.7
135.11685	5.7
143.08617	3.4
145.10091	19.9
147.11659	8.1
149.09608	4.2
149.13332	3.6
159.11726	8.9
161.13313	3.6
163.11148	16.1
171.11734	3.9
173.09518	3.9
173.13272	3.4
179.14305	6.0
184.07347	7.4
209.11720	4.6
227.12837	3.4
257.19070	4.0
275.20056	40.7
283.15387	66.3
345.81473	3.3
349.23849	17.5
408.57187	3.1
539.05377	2.9
539.34131	3.9
557.34698	100.0
558.34869	5.4
707.83813	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	754.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.6
53.49298	2.5
55.01874	13.5
55.05512	28.8
57.03439	18.6
57.07072	3.4
61.02937	3.6
65.03938	4.4
66.67633	2.8
67.05506	52.7
69.03426	19.5
69.07066	14.9
70.06604	3.7
70.26809	2.9
70.87370	3.9
70.87701	6.2
71.04990	12.4
79.05490	46.1
79.05907	3.7
79.67833	2.9
81.03419	100.0
81.07056	49.9
83.04985	22.7
83.08626	27.6
85.02916	21.4
85.06548	5.9
91.05484	40.8
93.07047	34.9
95.04964	39.5
95.08588	21.9
97.02921	15.7
97.06539	11.7
97.10169	15.8
98.03678	10.2
99.04470	6.2
105.07024	31.8
107.04966	18.6
107.08601	18.8
109.02890	9.7
109.06546	4.0
109.10173	22.1
110.07281	6.9
111.04418	7.9
111.08076	10.9
113.06020	3.6
116.04774	2.8
117.07039	9.6
119.08566	22.1
121.06535	7.0
121.10161	14.5
123.04453	7.2
123.08055	4.0
123.11710	2.7
125.09635	10.9
127.03935	11.9
128.06189	2.9
129.05499	4.9
129.07016	12.9
131.08554	15.5
131.33775	2.6
133.10132	14.3
135.04436	4.2
135.08105	4.9
135.11714	9.2
137.09613	5.3
142.07829	4.5
145.10149	10.5
147.08087	4.9
147.11705	15.5
149.09639	9.2
153.01843	7.2
153.09113	3.1
153.12769	3.7
155.08694	2.7
157.10149	12.5
163.11188	15.6
165.12839	4.1
173.04497	21.0
173.09586	4.1
173.11772	8.8
175.11162	17.0
181.12239	4.4
189.11234	4.3
191.10698	6.1
193.12224	42.7
199.06067	4.5
209.11813	7.4
211.13312	42.8
227.12856	8.9
229.14424	8.2
255.15926	3.6
267.15979	25.7
283.15436	7.9
285.16956	18.9
301.16632	4.2
315.18054	3.8
421.25702	5.8
439.26797	35.3
445.20880	4.9
459.27148	3.7
475.27020	6.0
493.27817	7.9
507.29443	6.3
511.29108	7.0
639.32959	3.6
645.16565	3.1
682.47076	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	753.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.5
54.27581	2.2
55.01870	13.3
55.05509	39.2
57.03435	14.8
57.07063	7.4
63.08133	1.9
65.03939	4.2
65.57305	2.0
67.05503	100.0
67.82855	2.3
69.03427	26.8
69.07072	26.6
69.10954	2.2
70.83501	7.2
71.01343	3.7
71.04984	10.0
73.02930	3.2
79.05493	51.5
81.03418	98.9
81.07053	48.4
82.04218	2.4
83.04978	25.9
83.08617	27.6
85.02900	38.1
85.06531	5.1
87.71756	2.2
91.05479	44.5
93.07043	27.7
95.04952	35.0
95.08588	21.3
96.82301	2.2
97.02901	19.2
97.06525	14.3
97.10159	17.7
99.04462	7.4
99.08060	3.3
101.02371	3.0
103.03903	2.2
105.07017	22.6
107.04958	16.9
107.08590	24.1
109.02876	16.3
109.06506	9.7
109.10150	55.8
109.10838	4.5
111.04416	11.6
111.08073	7.9
115.05437	4.2
117.07008	10.4
119.08564	21.0
121.06464	6.5
121.10162	14.7
123.04412	6.3
123.08054	8.5
123.11668	2.7
125.06094	2.1
125.09625	22.1
127.03908	10.3
128.06174	2.3
129.05466	3.5
129.07011	13.7
131.03401	3.2
131.08565	15.7
133.06511	5.6
133.10123	14.1
135.08052	6.6
135.11678	6.8
137.09624	5.9
143.08519	4.0
145.06456	5.2
145.10127	11.5
147.08047	6.7
147.11707	15.2
149.09636	9.7
153.01823	2.5
153.12752	5.3
155.08530	2.9
155.10606	2.8
157.08871	2.2
157.10094	11.1
159.08099	2.9
163.11163	15.3
165.12793	4.5
171.06540	3.5
173.04457	11.4
173.09526	2.5
173.11760	12.3
175.11108	12.2
181.12225	3.9
189.11221	4.2
189.12737	2.8
191.10712	6.7
193.12234	37.6
194.06927	2.7
199.13017	3.2
209.11774	4.4
211.05989	4.1
211.13290	36.9
223.13281	3.3
227.12772	14.1
229.14293	15.8
235.13129	5.0
267.15894	14.9
273.14990	2.5
273.18524	4.3
275.20087	4.3
277.14511	3.0
283.15436	7.2
285.17081	4.2
291.19476	9.9
309.17117	4.8
330.71823	2.3
337.16605	2.4
365.23328	2.9
383.50589	2.3
421.25583	5.4
439.26828	42.0
442.19278	2.2
443.36713	2.7
454.23184	2.5
463.26733	2.4
519.32971	4.6
583.30646	3.1
609.35968	3.5
624.36377	2.7
634.28339	2.6
753.39838	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	753.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	19.3
55.01871	24.1
55.05510	35.1
57.03430	27.2
59.05007	4.7
65.03938	5.1
67.05175	6.4
67.05502	91.3
68.05827	4.5
69.03433	26.9
69.07046	17.3
69.90918	20.4
71.01340	7.9
71.04987	11.5
79.05489	57.3
81.03413	100.0
81.07055	71.4
83.04983	35.8
83.08609	23.3
85.02902	17.0
90.88350	4.1
91.04942	2.5
91.05471	72.8
93.07046	51.1
95.04956	59.8
95.08595	42.5
97.02889	24.2
97.06516	14.3
97.10151	8.9
99.04445	7.7
101.94398	3.9
104.46080	4.3
105.07037	49.3
107.04945	56.1
107.08588	27.3
109.02870	13.8
109.06507	28.9
109.10132	21.8
111.04449	12.5
111.08064	15.5
113.06023	6.4
113.80044	4.2
117.07018	20.3
119.08610	38.2
121.06487	13.9
121.10158	16.0
122.07269	12.5
123.04408	6.3
123.08040	11.7
123.11702	7.7
125.09601	12.0
127.03906	12.8
128.06238	6.1
129.05424	5.5
129.07037	19.8
131.04987	4.5
131.08560	37.2
133.06473	20.6
133.10120	24.4
135.08044	10.4
135.11690	14.4
137.05922	4.7
137.09566	6.2
141.06911	7.7
142.07759	6.7
143.08537	10.3
145.06473	13.8
145.10110	16.0
147.08072	23.0
147.11670	19.1
149.09598	11.3
149.13266	5.2
151.11124	6.7
153.01833	16.7
155.08577	6.5
157.10106	18.6
159.08014	6.7
159.11665	12.7
161.09605	15.4
161.13330	5.5
163.11168	13.9
165.12784	7.1
169.10268	5.0
171.11761	8.0
173.04453	6.6
173.09558	7.7
173.13171	6.6
175.11214	16.3
177.12704	4.4
181.12161	5.8
185.13295	7.0
187.11086	9.7
193.12218	32.3
196.12520	4.5
205.12172	6.4
209.11685	5.0
209.61661	3.8
211.13264	45.1
227.12711	6.1
233.15320	7.4
239.58124	4.4
242.90248	4.6
249.14816	5.0
258.61124	4.5
267.15897	22.4
273.18497	11.6
275.05585	4.4
279.16083	5.6
285.16980	10.6
289.17798	9.5
290.18661	9.3
291.19574	8.0
323.18253	5.0
363.21353	5.2
381.22595	15.9
419.46829	4.9
424.18454	5.0
429.21451	20.1
515.30005	9.4
533.31036	6.3
544.36823	6.4
573.34229	16.4
735.39178	10.3
753.39233	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	753.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80969	0.3
54.62812	0.4
67.81363	0.3
69.34521	0.7
69.34933	2.5
79.01855	5.5
81.03428	0.5
97.02884	1.3
97.29339	0.3
101.03448	0.3
107.01332	0.8
109.02883	0.5
110.69082	0.3
125.02361	3.1
127.03923	2.3
140.77307	0.3
143.03398	6.9
153.01831	100.0
153.02800	3.6
154.02179	1.4
173.02892	0.4
191.03590	0.4
213.03995	1.2
233.04550	0.6
237.03806	0.4
249.11131	0.7
250.11563	0.4
261.04041	0.5
279.04919	1.5
287.05542	3.7
297.06091	0.7
315.07214	1.3
328.65234	0.3
449.07083	1.9
467.08392	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1291
Annotation	Loropetalin D
Peak:m/z	Relative Intensity
53.03940	0.7
55.01871	0.3
64.67976	0.2
65.03914	0.2
67.05506	0.3
68.05621	0.2
68.99802	0.3
69.03420	0.6
69.26414	0.2
69.26727	2.0
79.01852	5.1
79.05479	0.2
81.03406	2.7
91.05490	0.2
97.02889	11.0
98.20764	0.3
99.04433	0.5
107.01308	2.8
109.02869	4.1
111.00784	0.4
121.02852	1.4
125.02338	5.1
127.03915	8.0
133.02774	0.2
137.02353	0.4
137.05934	0.4
137.17828	0.2
143.03389	8.5
147.04448	0.2
153.01823	100.0
153.02797	3.6
154.02177	0.6
157.06508	0.2
165.01862	0.8
167.07077	0.2
171.02884	17.0
183.02914	0.5
184.86967	0.2
185.06010	0.3
202.02718	0.2
213.05463	0.6
225.71143	0.2
231.06531	0.4
237.03952	0.2
241.04970	0.2
258.05249	0.5
259.06131	0.2
269.04333	0.2
285.50009	0.2
287.05490	37.0
288.05725	0.5
297.05994	3.8
395.07645	0.4
467.08136	0.2
564.80591	0.2
639.59601	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80027	0.2
53.60436	0.2
53.74725	0.2
55.01863	0.3
68.99779	0.4
69.03429	5.4
69.41096	2.1
79.01850	4.9
79.05511	0.3
81.03411	0.9
85.02897	0.3
96.17194	0.2
97.02873	2.0
98.31991	0.2
107.01311	1.0
107.04971	0.5
109.02885	1.1
111.00763	0.3
113.10169	0.3
121.02852	1.0
121.66119	0.3
125.02348	3.4
127.03906	2.8
130.43924	0.2
131.04898	0.4
133.02812	0.3
135.04405	0.2
137.02296	0.3
143.03386	7.5
145.04895	0.2
147.04410	0.5
153.01823	100.0
153.02797	3.7
154.02148	0.9
159.04366	0.5
161.05922	0.3
163.03928	1.4
165.01863	0.6
169.53537	0.2
171.02879	0.7
175.03940	0.3
177.05510	0.4
179.03391	1.5
181.01364	0.6
183.02986	0.2
187.03967	0.3
191.03355	1.9
193.04956	0.4
205.04892	1.1
207.02881	1.3
209.04459	0.6
213.05394	0.4
215.03432	0.3
219.02977	0.3
221.04451	0.3
224.59503	0.2
231.06653	0.3
233.04482	1.1
237.03954	2.0
241.04745	0.4
249.03995	0.3
251.05403	0.3
258.05344	0.4
261.03967	0.3
267.05084	0.4
277.03503	0.6
279.04968	0.4
287.05487	21.5
288.05804	0.4
297.06015	2.5
303.01404	0.3
317.21051	0.2
322.50339	0.2
392.20560	0.2
439.06525	0.7
449.07169	0.4
467.08411	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1292
Annotation	Loropetalin D
Peak:m/z	Relative Intensity
55.01871	0.5
62.14401	0.3
62.82458	0.3
69.03419	1.3
71.04607	0.4
71.18411	0.7
79.01851	4.9
81.03412	1.3
91.05473	0.4
97.02890	1.3
107.01298	0.7
109.02871	1.1
111.04421	0.4
112.50350	0.3
116.41638	0.3
121.02888	2.7
122.77927	0.3
125.02376	3.7
127.03947	1.6
137.02339	2.6
143.03391	6.6
153.01825	100.0
154.02133	1.0
171.02870	0.4
172.20335	0.3
191.03419	0.8
233.04512	0.4
237.03934	3.2
252.18689	0.3
261.04092	0.5
279.05109	0.6
283.13440	0.4
287.05493	5.5
297.06088	1.3
305.02829	0.5
382.31308	0.3
449.07141	4.3
467.08521	0.7
498.70657	0.3
517.26825	0.4
717.45892	0.7
753.42920	1.0
765.39087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
55.05501	3.2
57.03430	3.6
57.07078	5.5
60.08138	0.8
61.02923	5.4
63.85709	1.0
67.05505	9.8
69.03425	4.6
69.03798	0.9
69.07063	3.0
71.04990	2.5
71.08625	3.8
73.02914	4.2
79.05495	5.7
81.03418	14.5
81.07048	10.2
83.04975	2.9
83.08623	4.6
85.02916	6.9
85.10177	1.8
86.09679	2.5
91.03959	3.5
91.05474	5.2
92.96954	1.0
93.07059	4.3
93.08149	0.9
95.04939	4.7
95.08598	6.7
97.02892	5.7
97.10131	1.1
99.04473	2.2
101.02366	1.9
105.07047	3.9
107.04942	1.3
107.08603	3.5
109.02887	3.6
109.06514	1.1
109.10175	4.4
117.06956	1.5
119.08580	3.7
121.10149	2.3
124.99973	1.3
127.03914	1.8
129.06995	1.6
131.08545	2.2
132.58687	0.9
133.10138	2.0
135.11726	1.9
145.10088	1.3
147.11711	2.4
149.13290	1.3
156.28947	1.1
157.10165	1.3
175.11220	2.3
184.07381	4.6
185.07607	1.4
191.23711	1.1
193.12233	6.4
211.13307	5.5
235.13255	1.3
239.23761	1.6
239.41277	0.9
243.08417	2.2
253.14262	1.4
267.15915	6.9
285.17139	1.1
313.27350	10.6
351.82285	0.9
471.22150	3.8
493.17462	1.7
505.38983	5.8
519.29230	9.3
523.17035	1.1
523.39972	6.1
749.44379	100.0
750.44641	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	747.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.01873	1.1
55.05503	2.2
56.92736	0.9
57.03428	2.3
60.08154	4.7
61.02933	4.8
67.05511	6.5
69.03428	2.1
69.07059	2.1
71.07358	1.7
71.58231	1.5
73.02925	3.0
76.93830	0.9
79.05489	6.0
81.03401	2.0
81.07062	8.2
81.97617	1.1
85.02905	3.3
86.09703	16.6
86.10177	1.4
87.10067	2.3
91.03965	3.1
91.05477	3.7
93.07040	7.2
95.05016	1.4
95.08624	2.8
97.02904	3.8
98.98484	2.0
101.02403	1.3
105.07043	4.2
107.08604	4.1
109.02891	1.2
109.10168	1.6
117.07072	1.6
119.08591	1.2
121.10143	3.3
124.99995	13.2
133.10172	1.2
135.11673	1.3
147.94191	1.0
149.13292	1.8
159.11729	0.9
173.13213	0.9
173.43483	1.0
175.11082	1.2
184.07335	55.1
185.07680	8.1
185.13239	0.9
186.07828	2.5
201.36711	0.9
226.39775	1.0
243.08310	2.3
274.80829	1.0
322.27737	1.1
333.16901	1.2
453.21106	8.1
482.66925	1.1
525.23181	2.1
535.28601	6.5
729.42596	1.1
747.42902	100.0
748.43671	4.5
762.93341	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.1
53.04146	0.6
55.01851	0.5
57.03437	1.1
60.09551	0.6
65.33057	0.7
68.99749	0.9
69.03426	15.3
71.01343	0.9
71.04985	1.3
71.11723	1.4
79.01797	0.6
79.05462	1.0
81.03411	22.9
81.07031	0.7
85.02892	2.4
91.05488	1.4
97.02877	2.3
99.04478	1.5
103.05448	1.1
109.02875	13.1
117.03339	0.6
119.04974	1.0
127.03885	4.1
133.02844	1.4
136.55011	0.6
137.05991	1.4
147.04393	2.0
153.01814	6.7
153.02885	1.1
154.02148	0.8
157.02834	1.1
163.03976	1.0
175.03864	1.3
179.03421	0.8
185.02365	1.2
187.03897	2.2
191.03345	1.1
201.01811	3.2
203.03378	4.6
203.95222	0.7
207.02898	2.9
213.01884	1.4
215.03413	1.8
217.01338	6.2
219.02872	2.6
229.01305	5.0
231.02885	8.5
241.01360	0.9
247.02361	6.9
257.00836	2.0
259.02380	28.6
271.02338	1.3
275.01859	5.4
276.02551	4.4
277.03394	41.1
285.00363	1.6
287.01984	1.8
287.05487	2.3
288.05902	1.0
289.03207	0.7
303.01328	100.0
304.01624	1.3
321.02292	1.9
325.03476	0.7
369.02301	0.8
373.09427	0.9
419.05878	1.8
429.04370	5.6
447.05524	8.2
473.03134	1.5
749.05920	4.0
770.95099	0.7
776.81927	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.8
55.05498	17.6
57.03427	16.8
57.07071	42.8
59.99656	4.0
60.50343	3.7
63.84948	3.5
67.05499	30.6
68.76686	4.6
69.03401	6.0
69.07043	14.0
71.08643	26.0
79.05480	27.3
81.03408	87.7
81.07049	35.8
83.04525	3.7
83.04974	16.8
83.08620	33.0
85.02901	14.5
85.10188	9.6
91.05480	30.5
93.07033	15.4
95.04964	21.8
95.08601	37.3
97.06528	6.5
97.10155	10.6
98.21555	5.8
105.07027	17.2
107.04932	5.1
107.08597	5.6
109.02857	11.4
109.06544	4.0
109.10128	11.3
110.03625	4.8
111.04434	16.2
111.08081	12.1
117.06999	4.6
118.46636	3.5
119.08529	18.0
120.82146	3.8
121.10111	4.7
123.11715	6.8
129.06979	8.9
131.08516	7.5
133.10110	9.1
147.08052	4.5
147.11633	12.1
149.09628	6.7
157.10100	14.0
165.07065	5.1
175.00644	4.5
175.11195	15.8
181.12202	4.0
184.07410	4.9
191.00015	6.1
191.10651	4.2
193.12202	60.6
211.13278	63.5
227.12775	8.7
235.13300	5.1
239.23647	10.6
249.14819	9.7
267.15875	65.9
280.80664	4.0
285.17014	11.8
313.27341	100.0
419.13672	7.0
493.17657	19.5
505.38922	49.8
523.39972	55.6
724.54578	5.2
749.41205	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	747.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.05508	1.5
57.03430	1.5
61.02927	5.3
62.09482	0.5
65.24675	0.5
67.05501	4.6
69.03425	3.2
69.07063	1.4
69.31689	3.4
69.32114	1.6
71.04993	0.8
73.02917	4.2
75.04473	0.5
79.05498	3.7
81.03407	2.3
81.07061	4.3
83.08629	1.0
85.02906	5.8
86.09702	1.7
87.10063	0.5
91.03942	2.2
91.05477	2.3
93.07027	3.1
95.04967	1.0
95.08609	2.8
97.02885	5.0
99.04462	1.2
101.02378	1.8
105.07049	1.9
107.08607	1.9
109.02854	0.5
109.06555	0.6
109.10149	0.9
119.08596	1.2
121.10144	1.8
125.00032	1.1
127.03924	1.0
131.08588	1.3
133.10242	0.5
135.11694	0.9
146.79509	0.5
147.11679	0.8
149.13330	0.6
184.07329	7.6
185.07768	0.6
193.12329	1.0
218.78641	0.5
237.89879	0.5
243.08505	1.6
335.25800	0.8
349.66760	0.6
363.70340	0.6
445.55466	0.5
469.20563	4.5
511.26532	0.4
519.29285	10.0
616.42310	0.5
673.35675	0.6
705.22015	0.5
747.42889	100.0
748.42999	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	747.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.5
55.01878	0.7
55.05501	1.4
57.03432	2.5
61.02931	5.8
63.69681	0.5
67.05492	5.0
69.03426	2.8
69.07056	1.4
71.05010	0.8
73.02916	4.3
79.05488	4.1
81.03427	4.1
81.07052	5.6
83.08626	1.1
85.02901	6.8
85.33360	0.6
91.03958	3.5
91.05481	3.9
93.07031	2.8
95.04987	1.5
95.08611	2.1
96.96693	0.6
97.02890	5.3
99.04478	0.7
101.02377	2.5
105.07020	2.5
107.08596	1.4
109.10147	0.9
119.08607	0.9
121.10159	1.3
127.03909	1.5
131.08580	1.2
133.10118	1.0
157.10046	0.8
175.11383	0.6
184.07399	1.7
193.12274	1.1
211.13298	0.5
243.08423	1.6
245.42134	0.5
251.12773	0.6
324.88904	0.6
427.51685	0.5
469.20322	10.3
519.29370	5.2
747.42853	100.0
748.43079	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
57.03444	3.2
61.32400	0.5
67.58893	0.5
69.03425	6.2
71.04992	21.0
71.09495	1.4
73.02892	0.6
79.01846	2.1
81.03416	1.0
83.04993	1.2
85.02905	24.0
87.04457	0.9
91.05486	0.8
97.02859	1.9
99.04410	0.9
99.71422	0.5
107.01328	0.6
109.02863	1.5
111.04433	1.1
121.02888	1.0
125.02370	1.6
127.03924	5.8
129.05482	7.8
131.04950	0.6
143.03441	4.2
147.04358	0.9
147.06500	1.3
153.01825	100.0
154.02199	0.9
163.03915	0.6
165.01834	1.3
167.06993	0.8
171.02872	3.0
179.03362	0.9
183.02969	0.9
191.03436	1.6
205.05000	0.6
207.02798	0.7
213.05540	0.7
233.04559	1.2
237.03900	2.6
279.05099	0.9
287.05502	40.0
288.05780	0.8
297.06027	4.9
311.05386	0.6
315.07104	12.9
315.10733	0.9
329.06503	0.7
627.54266	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94931	1.9
65.43407	2.0
69.23632	4.7
69.24030	22.7
80.28031	1.9
81.03436	2.5
81.06971	1.9
83.08624	2.3
92.67824	1.9
138.48553	2.0
184.07307	3.4
195.00304	9.7
210.12653	1.9
254.75822	1.9
336.26855	2.0
372.00003	2.1
396.73627	2.0
525.35437	3.6
575.39178	4.0
697.36523	4.7
747.40796	100.0
748.41193	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	747.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.6
57.03435	1.8
61.02925	4.6
67.05494	3.5
69.03432	3.4
69.07076	1.5
69.25816	2.9
69.26231	6.3
71.04997	0.8
73.02933	2.7
74.05538	0.8
74.42837	0.7
79.05513	2.9
81.03419	5.6
81.07059	4.5
83.08636	1.2
85.02896	5.4
86.09777	1.0
91.03967	2.6
91.05492	3.5
93.07063	2.7
95.04956	1.9
95.08621	2.4
97.02870	4.6
98.20779	1.5
99.04516	1.2
101.02409	2.4
107.08596	1.6
109.02901	1.1
109.06444	0.8
109.10235	0.8
119.08636	1.1
121.10149	2.3
125.00109	0.8
127.03941	1.6
135.11649	1.0
143.66248	0.8
153.12579	0.9
184.07402	1.7
185.04158	0.8
190.07999	0.8
193.12289	2.4
211.13403	0.9
214.92308	0.9
243.08362	2.0
251.12616	3.0
258.09097	1.4
436.75974	0.9
469.20529	8.3
519.29279	5.8
747.42810	100.0
748.43256	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	746.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.2
55.05493	0.2
55.11678	0.2
56.05029	0.9
57.03444	0.3
57.07076	0.4
58.06584	1.0
59.07386	0.5
60.08162	5.0
67.05507	0.8
69.07081	0.2
69.44827	1.8
71.07371	3.0
71.08604	0.2
79.05473	0.4
81.07041	0.8
86.09702	28.1
88.35127	0.2
89.06024	0.5
91.05487	0.4
93.07039	0.5
95.08613	0.4
98.98453	3.7
104.10731	1.9
109.10157	0.2
124.99999	18.2
133.08577	0.3
143.01022	0.4
166.02589	0.2
184.07332	100.0
185.07649	0.8
222.08849	0.4
227.20070	2.3
271.15396	0.3
335.26022	0.2
342.09082	0.2
354.52872	0.2
484.22366	0.2
561.34149	0.2
598.75787	0.2
630.78693	0.3
634.94092	0.2
731.98175	0.3
740.38007	0.2
746.45563	2.4
747.42584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	40.5
57.03424	25.4
57.07066	8.6
59.15298	7.3
61.02908	14.3
63.78371	7.6
67.05511	43.7
69.07069	43.9
69.26362	80.2
79.05478	40.2
81.03410	45.7
81.07063	58.2
83.04969	12.6
83.08610	44.5
85.02888	32.1
86.09692	11.5
91.05463	31.7
93.07024	19.2
95.04962	33.5
95.08602	28.1
97.10144	13.2
105.07041	15.5
107.08607	16.9
109.10177	10.0
111.08060	13.9
119.08566	17.5
121.10171	13.2
125.09637	8.8
129.06998	13.5
129.82658	8.0
131.08588	13.9
133.10114	14.7
147.11755	10.0
149.09604	8.2
157.10120	22.6
175.11198	20.3
184.07349	25.8
193.12222	39.7
199.05707	8.2
211.13243	64.1
266.39960	10.1
267.15833	21.8
273.13144	7.8
285.16931	82.9
339.28912	76.9
382.63864	9.5
404.56757	8.9
549.41559	100.0
746.42535	19.6
747.41364	51.4
774.74304	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	746.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.4
56.05020	0.6
58.06602	0.3
60.07884	0.4
60.08161	5.4
67.05490	0.6
70.06577	0.2
71.07372	2.9
71.57896	0.3
79.05466	0.8
81.03400	0.3
81.07048	0.6
85.02898	0.3
86.09704	30.7
91.05441	0.3
98.98452	3.4
104.10744	2.5
105.07033	0.4
109.06549	0.2
125.00005	21.4
143.01068	0.7
147.11807	0.2
148.62978	0.3
167.50676	0.3
184.07335	100.0
185.07718	0.5
284.28830	0.2
286.99396	0.3
292.09967	0.2
456.18460	0.3
483.83127	0.3
728.33112	0.4
728.44971	5.9
779.03003	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.4
56.05020	0.6
58.06602	0.3
60.07884	0.4
60.08161	5.4
67.05490	0.6
70.06577	0.2
71.07372	2.9
71.57896	0.3
79.05466	0.8
81.03400	0.3
81.07048	0.6
85.02898	0.3
86.09704	30.7
91.05441	0.3
98.98452	3.4
104.10744	2.5
105.07033	0.4
109.06549	0.2
125.00005	21.4
143.01068	0.7
147.11807	0.2
148.62978	0.3
167.50676	0.3
184.07335	100.0
185.07718	0.5
284.28830	0.2
286.99396	0.3
292.09967	0.2
456.18460	0.3
483.83127	0.3
728.33112	0.4
728.44971	5.9
779.03003	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
53.77721	0.3
55.01875	0.6
55.05510	1.3
57.03435	2.2
60.08146	0.8
61.02926	5.1
64.13462	0.4
65.76128	0.3
67.05505	6.2
67.05835	0.6
69.03419	2.9
69.07072	1.5
69.34537	3.1
69.34933	0.8
71.01337	0.4
71.05009	0.6
73.02917	4.5
75.15176	0.4
78.34882	0.3
79.05495	4.0
79.69196	0.4
81.03423	1.5
81.07053	5.8
83.05012	0.5
83.08632	0.6
85.02899	5.0
86.09710	3.7
91.03944	2.7
91.05492	2.0
93.07043	4.3
95.04971	1.1
95.08606	5.3
97.02879	3.9
97.03323	0.3
98.98450	0.8
99.04446	1.0
101.02394	1.4
105.07045	1.8
107.08602	2.5
109.02913	0.8
109.10170	1.0
117.06964	0.5
119.08590	1.0
121.10175	1.7
125.00003	2.3
125.08607	0.3
127.03911	1.1
130.07822	0.3
131.08630	0.7
133.10123	0.7
133.63097	0.3
135.11720	2.1
137.90135	0.4
145.10150	1.4
159.11746	0.4
161.13306	0.4
163.11223	2.2
184.07332	10.7
185.04202	0.5
185.07727	1.6
203.05328	0.6
227.12920	0.8
243.08380	2.0
249.10973	10.9
261.21939	0.4
305.13739	1.0
335.25839	1.2
336.26242	0.7
340.79355	0.4
467.18951	5.1
490.35699	0.4
504.37045	0.5
519.29218	10.0
548.39941	0.7
583.35675	0.4
673.94159	0.5
745.41235	100.0
746.41425	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
57.03441	1.8
60.08170	2.0
61.02919	3.0
67.05505	7.0
69.03429	1.9
69.07056	4.0
69.24110	2.1
69.24514	10.0
71.07419	1.1
73.02904	1.7
75.49367	0.8
79.05483	4.1
81.03413	2.5
81.07060	6.7
83.08612	1.4
85.02917	3.8
86.09711	10.0
87.10019	1.1
91.03970	2.0
91.05475	4.7
93.07052	5.2
95.04999	1.1
95.08601	3.0
96.20614	0.9
97.02893	3.2
97.06519	1.1
98.98464	1.7
99.04422	1.0
101.02361	1.1
105.07043	2.6
107.04972	1.0
107.08601	3.7
109.64867	0.9
117.07029	2.0
117.20219	0.9
119.08613	2.7
121.10191	2.2
124.99982	6.8
127.03898	1.1
131.08571	2.0
133.10136	2.2
135.11664	1.2
145.10185	1.1
146.10793	0.9
149.13304	2.0
159.11737	2.2
170.05241	0.8
179.14326	1.0
184.07338	34.8
185.07671	4.6
219.33624	0.9
235.13094	1.7
240.25516	1.0
243.08524	1.8
260.01651	0.9
288.94473	0.9
315.19366	2.9
371.22266	1.4
400.64728	1.0
453.20975	9.7
533.27203	7.3
745.41272	100.0
746.41986	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	745.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01871	0.8
55.05501	4.0
57.03424	2.4
57.07066	0.6
60.53073	0.6
61.02921	5.8
62.96410	0.6
67.05499	7.1
68.05814	1.1
69.03422	3.5
69.07053	2.0
69.95836	2.2
69.96247	1.5
71.01363	0.6
71.04981	1.3
73.02917	4.1
79.05490	3.8
81.03406	4.2
81.07048	7.3
83.01338	0.8
83.04980	1.3
83.08609	3.0
85.02900	6.7
86.09692	1.2
86.33875	0.7
89.31492	0.6
91.03960	3.2
91.05486	4.4
92.05816	0.7
93.07028	5.2
95.04969	2.1
95.08598	4.7
97.02901	3.1
101.02390	2.6
103.03949	1.0
105.07011	3.2
107.04970	1.4
107.08591	1.8
109.02912	0.9
109.10158	2.8
119.01717	0.6
119.08601	2.0
121.10156	2.1
123.11690	0.9
127.03944	1.3
131.08531	0.8
133.10139	1.5
135.11708	2.3
145.10147	1.2
147.11699	1.4
159.11554	0.8
163.11218	2.3
166.89423	0.6
172.04366	0.7
184.07292	4.0
193.12219	0.8
211.13246	1.8
212.13800	0.7
243.08452	1.4
285.17035	2.0
337.27356	2.5
338.27881	2.3
400.00055	0.7
401.53876	0.5
467.18820	8.3
501.65408	0.7
519.29272	6.6
547.40082	1.5
548.40283	5.1
550.91791	0.7
745.41205	100.0
746.41345	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	745.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
54.49335	0.9
55.01838	1.2
55.05502	5.7
57.03419	4.0
60.57557	0.9
61.02922	7.1
67.05499	12.4
68.59712	0.8
69.03425	5.6
69.07063	3.1
69.51392	2.1
69.51798	5.7
71.04980	2.0
73.02900	4.8
79.05489	7.9
81.03400	6.4
81.07055	11.0
82.07382	1.2
83.04980	2.3
83.08621	4.1
85.02892	9.4
86.09686	1.2
88.96662	1.2
91.03951	3.3
91.05469	4.7
93.07047	8.1
95.04942	2.0
95.08613	7.5
97.02877	5.3
97.06531	1.0
101.02357	2.6
105.07018	4.0
107.08592	3.2
108.08937	1.2
109.02889	1.4
109.10155	3.2
119.08590	3.7
121.10155	4.2
123.08056	0.9
125.00106	0.9
127.03892	2.4
131.08586	2.2
133.10146	2.5
135.11656	2.1
145.10138	2.1
147.11687	1.6
149.09761	0.9
158.67769	0.9
161.41043	0.9
163.11266	1.9
165.90544	0.9
175.11172	1.0
184.07399	3.0
211.13361	1.9
243.08369	1.7
285.16977	2.9
286.17392	1.1
335.25723	2.0
337.27335	3.8
338.27835	2.7
385.49567	1.2
459.81323	1.2
467.18777	7.5
519.29169	10.2
530.38135	1.1
547.39703	1.4
548.40393	7.4
745.41211	100.0
746.41534	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
54.28519	0.4
55.05498	1.8
57.03419	1.3
61.02934	4.2
67.05506	6.3
69.03419	2.2
69.07060	1.4
69.60851	3.6
71.01355	0.7
71.04996	1.4
73.02915	2.7
79.05487	2.1
81.03412	4.2
81.07050	3.2
83.04971	1.2
83.08620	1.8
85.02908	5.2
85.24758	0.5
87.04444	0.6
89.66819	0.5
91.03954	3.6
91.05469	2.8
93.07043	2.2
95.04405	0.4
95.04938	2.7
95.08614	1.4
97.02892	4.0
97.06569	0.6
97.10151	0.6
98.21430	1.0
99.04439	1.1
101.02364	2.1
104.21951	0.5
105.07024	2.5
107.04953	1.2
107.08617	1.2
109.02892	1.4
109.10150	6.8
110.72693	0.5
111.08056	0.7
114.42246	0.5
115.03983	0.7
117.07046	0.5
119.08578	2.1
121.10146	1.0
125.09647	0.6
127.03919	2.2
129.07028	0.6
131.08588	1.0
133.10156	1.2
135.11671	0.6
137.05966	1.4
145.10098	0.7
147.08066	0.5
147.11681	1.1
149.05797	0.5
149.09554	0.8
157.10098	0.7
163.11267	0.6
167.07088	0.8
173.11754	1.9
175.11165	1.1
181.04895	0.7
183.76620	0.5
193.12254	1.4
195.09996	1.2
201.51672	0.5
203.05440	0.6
211.13226	0.6
213.14661	0.6
229.14250	0.9
243.08459	2.0
251.12581	1.5
257.31351	0.5
267.09015	0.6
285.10110	0.8
286.10782	0.5
393.78531	0.5
413.17749	8.3
414.18311	0.5
469.20459	10.6
621.47211	0.6
641.31378	100.0
642.31573	4.5
699.35602	1.1
727.34796	0.9
745.35901	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	745.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88897	0.5
53.03933	1.0
55.05503	1.3
55.32885	0.6
57.03425	1.5
61.02927	4.8
65.00977	0.6
67.05510	4.3
69.03432	3.4
69.07066	1.3
69.32044	1.5
69.32442	6.5
71.04980	4.9
73.02921	3.4
79.05489	2.8
81.03414	3.5
81.07052	6.4
83.04987	1.3
83.08633	1.3
85.02911	3.4
86.09704	0.8
91.03966	2.7
91.05474	4.8
93.07030	3.2
95.04963	1.7
95.08607	1.2
97.02911	3.9
97.06532	1.2
101.02371	1.5
104.24032	0.6
105.07037	2.3
107.08610	1.8
109.02869	1.0
109.06509	0.7
109.10165	1.0
113.05216	0.7
117.07030	1.0
119.08549	1.2
121.10115	1.8
122.42953	0.6
123.11726	1.3
127.03925	2.4
131.08531	1.5
131.22932	0.6
133.10126	2.1
143.52881	0.7
145.05070	0.7
147.11656	0.9
149.09662	1.3
151.11209	1.1
157.10234	0.8
193.12228	1.2
243.08459	2.6
267.15854	1.9
283.15164	3.2
339.18082	0.7
485.23538	9.3
501.23035	8.6
585.01245	0.7
627.22675	0.7
641.30634	1.4
745.39789	100.0
746.40112	1.7
756.88330	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
55.05507	1.4
56.96571	1.3
63.28962	0.8
67.05510	2.5
67.25515	0.8
69.03425	1.1
69.07066	1.1
71.57877	1.4
79.05508	1.1
81.03432	2.4
81.07057	2.6
85.02914	2.1
91.05483	1.8
93.07045	1.9
95.04977	1.2
95.08632	1.2
96.08092	0.9
97.02890	1.0
97.06579	1.1
105.07047	2.2
107.08620	1.0
109.02869	0.8
109.06505	1.2
109.10178	1.2
119.08566	1.6
121.06496	1.1
121.10195	0.9
131.04959	1.1
133.10178	1.0
135.11732	0.8
137.05969	3.7
137.09676	0.9
145.06451	1.1
145.10204	1.4
149.01236	1.1
149.09656	1.4
151.03964	1.1
167.07088	2.5
181.05110	1.2
209.09331	0.9
249.08067	1.1
267.08997	5.8
278.33734	0.8
285.10156	5.9
287.34903	0.8
321.30768	1.1
358.31186	0.9
467.19867	1.0
469.20660	1.9
485.16916	7.1
501.23297	1.5
517.20490	1.0
550.21515	0.9
667.33087	6.8
685.34052	1.3
745.34131	100.0
746.35083	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71284	0.8
53.03926	1.4
55.01866	1.1
55.05504	2.4
57.03423	3.6
58.48647	0.9
59.80497	0.9
61.02922	5.7
64.58289	0.9
66.43691	0.8
66.70431	0.7
66.70840	0.9
67.05490	3.3
69.03429	4.5
69.07063	1.6
70.06591	1.3
70.89611	2.7
71.04984	1.6
73.02906	4.5
74.70488	0.8
79.05504	3.1
81.03416	6.7
81.07063	5.4
83.04991	2.3
83.08619	1.6
85.02914	7.9
87.04463	0.9
89.13287	0.8
91.03931	4.5
91.05488	4.5
93.07047	3.6
95.04961	2.6
95.08614	2.7
96.96592	1.0
97.02915	5.4
97.10178	1.0
99.04453	1.2
101.02388	2.3
103.05484	2.0
105.07015	4.1
107.08597	3.9
108.79123	1.0
109.02829	1.7
109.06519	1.0
109.10144	2.2
111.04497	1.1
111.08057	1.0
114.70312	0.9
119.08625	2.4
120.30267	1.0
121.06491	1.2
121.10159	2.6
125.09633	1.5
127.03918	2.3
129.05470	1.0
129.07011	1.8
131.04890	1.5
131.08560	2.6
133.10143	2.3
135.08003	1.3
137.05997	4.1
137.09633	1.1
145.04965	1.5
145.10156	1.0
147.08061	0.9
147.11670	2.6
149.09615	2.6
151.07542	1.7
153.01755	1.3
157.10152	1.6
161.06027	1.1
163.11237	1.2
167.07097	2.9
181.04836	2.2
185.04239	6.0
190.06575	0.9
193.12219	1.5
201.03735	2.2
203.05197	1.2
203.06946	1.0
207.13474	1.3
218.38525	0.9
237.46840	0.9
243.08398	4.3
251.12671	1.5
265.14215	1.7
267.16095	1.0
283.15143	11.5
301.08936	18.8
309.16785	3.2
315.10568	3.9
323.18274	4.8
327.10797	1.3
339.17841	2.2
341.11990	1.4
373.11111	7.1
381.18872	8.2
383.16800	3.3
385.18213	10.4
392.08887	1.1
395.20563	1.4
399.19992	3.6
415.15610	1.1
427.19299	11.8
429.17438	3.3
439.19489	1.7
441.21085	2.4
443.18893	1.6
457.20520	1.3
465.28317	5.7
467.19119	1.1
469.20755	4.0
483.21957	2.2
485.19598	2.5
499.21817	5.1
501.23221	26.3
511.29111	3.0
516.21667	1.7
517.22852	2.7
529.22583	21.3
530.23645	1.0
543.24255	1.0
545.22070	3.1
573.25079	12.7
583.37109	1.5
585.32220	1.5
587.26776	4.1
601.28052	5.2
613.31714	2.6
615.29803	3.2
629.30402	2.2
641.31470	3.9
643.33105	10.8
657.34534	1.9
683.35620	2.1
685.33917	1.9
699.36047	1.4
727.34595	3.7
745.36096	100.0
746.36542	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	744.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
55.05510	14.2
57.03446	7.2
57.07074	2.0
59.05000	3.0
59.84756	1.1
61.02921	3.1
62.29755	1.1
65.03930	2.2
65.98933	1.1
67.05502	100.0
69.03459	1.4
69.07068	13.9
71.04990	24.1
71.08615	1.1
79.05489	37.8
81.03422	2.5
81.06578	2.4
81.07053	40.6
83.04970	3.3
83.08621	6.9
85.02872	2.8
85.06514	4.4
86.09703	1.7
91.05478	28.5
93.07038	41.6
95.04964	5.8
95.08601	33.6
97.06546	7.3
97.10159	1.7
99.08086	1.5
105.07022	12.1
107.08590	19.8
109.06464	2.2
109.10154	60.0
111.08066	3.8
117.07008	4.5
119.08577	18.9
121.10136	18.6
123.08054	1.7
123.11705	3.6
131.08588	4.9
133.10139	7.3
135.11687	15.7
137.09593	10.5
139.11174	1.7
143.08575	1.7
145.10152	7.4
147.11690	5.9
149.13228	3.5
155.10641	2.1
157.70113	1.2
159.11728	3.6
161.13266	3.0
163.11150	2.7
165.12711	1.4
169.12230	1.7
173.11734	10.1
173.13185	2.9
174.31091	1.2
181.12163	1.4
184.07341	5.0
213.14777	2.8
243.15810	1.6
255.15909	4.9
261.22095	3.2
285.17041	1.5
287.18524	27.5
317.25204	1.3
335.21994	2.1
335.25836	25.9
337.27493	1.4
356.36920	1.5
397.31042	1.9
438.05905	1.2
471.34659	6.2
489.35718	94.3
490.36050	4.0
502.92563	1.4
503.30423	1.3
503.37210	5.8
515.37250	15.0
540.00476	1.3
547.39923	75.9
548.40302	3.5
671.70996	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.9
55.05500	24.8
67.05502	24.7
69.07066	17.6
71.58756	7.0
81.07052	30.4
83.05013	8.2
83.08633	14.6
83.44675	5.9
89.53651	6.0
90.67235	5.7
91.05498	11.7
93.07047	18.6
95.04973	6.0
95.08617	18.1
97.06545	5.5
97.10226	6.0
105.12919	5.5
107.08601	10.8
109.10156	9.2
116.46629	5.9
121.10159	16.8
123.08126	7.7
123.11726	6.2
123.92921	5.7
135.11665	8.3
145.10075	8.6
163.11201	22.0
209.11629	6.7
227.12689	6.2
283.15393	100.0
298.89120	5.5
339.28888	78.8
547.39996	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	744.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.01866	3.3
55.05267	1.6
55.05512	20.6
57.03437	16.9
57.07070	2.0
59.04986	1.1
61.02921	2.9
63.49771	0.9
65.03913	1.8
67.05503	56.5
68.05849	1.3
68.41597	0.8
69.03431	4.4
69.07070	22.3
69.36978	7.9
71.05011	5.1
73.02937	1.3
79.05067	1.7
79.05495	27.6
81.03418	45.6
81.07056	56.0
82.07381	1.1
83.04983	13.1
83.08146	1.6
83.08617	26.1
84.26082	1.0
85.02900	22.1
85.06525	1.7
86.09695	3.9
87.96643	0.9
91.03944	1.7
91.05479	31.1
93.06473	1.9
93.07037	24.9
95.04968	20.7
95.08604	35.2
97.02897	4.1
97.06522	4.2
97.10157	7.6
99.08088	2.0
105.07030	21.8
107.04936	4.5
107.08591	12.0
109.06493	5.2
109.10155	15.6
111.04450	1.4
111.08062	8.1
111.11687	1.4
113.05994	1.5
117.07008	2.1
119.08571	18.3
121.06485	1.1
121.10136	12.9
122.10397	0.9
123.08079	1.7
123.11691	5.9
123.85594	0.9
124.99975	2.0
125.09640	1.7
129.06995	8.8
131.08583	10.1
133.06506	2.8
133.10130	12.9
135.11702	4.3
137.09615	1.9
137.13274	2.2
142.07787	2.1
143.08499	1.0
145.10138	2.0
147.08057	1.6
147.11702	14.1
149.09666	4.8
151.11200	1.3
157.10143	9.6
159.11687	1.6
161.13246	2.6
163.14824	1.7
165.12726	3.3
175.11217	11.9
183.67871	0.9
184.07373	8.4
189.16312	1.1
193.12227	35.3
211.13287	63.1
212.13608	1.1
219.85677	1.0
245.22675	1.8
263.23621	3.2
267.15884	17.8
285.16943	70.4
286.17218	1.9
287.18414	1.7
335.25781	3.8
336.26404	1.0
337.27356	68.5
338.27563	2.4
455.35416	1.2
489.35532	5.6
519.29425	1.1
529.38898	12.2
547.39923	100.0
548.40326	5.0
744.45251	1.4
745.41199	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	744.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58254	0.2
54.90023	0.2
55.05507	1.3
56.05029	0.6
57.03434	0.9
57.33978	0.2
58.06605	0.5
60.07876	0.5
60.08161	6.3
62.42137	0.2
67.05501	5.2
69.07063	1.1
71.04989	0.5
71.07371	3.7
73.97269	0.3
79.05495	2.3
81.03410	0.5
81.07051	5.5
83.04993	0.3
83.08603	0.9
85.02923	0.2
85.06542	0.5
86.09702	33.9
87.10027	0.3
89.60884	0.2
91.05467	1.7
93.07035	3.1
95.04968	0.8
95.08600	2.2
97.06491	0.4
97.10145	0.3
98.98460	3.6
104.10746	2.2
105.07022	1.3
107.08597	1.9
109.10174	1.1
116.99470	0.2
117.07036	0.2
118.97910	0.2
119.08588	0.8
121.10144	1.0
123.11700	0.7
124.99999	22.7
131.08557	0.7
133.10123	1.0
135.11687	0.9
143.00989	0.6
143.86971	0.3
145.10110	0.3
149.13249	0.9
159.11713	0.8
177.12750	0.3
178.59390	0.2
184.07332	100.0
185.07675	1.1
187.13226	0.4
193.12167	0.3
193.63597	0.3
195.13869	0.5
208.61069	0.2
211.13422	0.3
212.13589	0.5
243.15891	1.0
261.22168	0.5
269.17490	1.5
285.16769	0.3
286.17242	0.3
287.18460	1.2
335.25735	3.1
336.26013	0.4
337.26572	0.3
425.82822	0.3
465.35425	0.2
503.30527	0.4
503.37326	5.2
504.37503	0.4
529.38812	0.7
547.39697	2.7
642.79474	0.3
744.47845	2.0
745.39954	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
55.01861	4.1
55.05504	24.7
57.03432	14.8
57.07053	2.0
60.77648	1.3
61.02915	10.4
65.03942	1.4
67.05499	60.8
68.05839	1.3
69.03426	5.8
69.07062	23.6
71.01323	1.7
71.04977	4.5
71.08632	1.3
73.02910	5.4
75.62005	1.1
79.05486	30.2
81.02926	2.8
81.03407	40.9
81.07049	63.9
82.07391	1.9
83.04975	10.4
83.08615	25.7
85.02898	24.9
85.06508	1.9
86.09715	1.5
87.89538	1.0
91.03943	4.4
91.05474	28.6
93.06472	2.2
93.07036	27.5
95.04961	18.8
95.08598	45.7
97.02882	8.8
97.06522	5.0
97.10169	6.5
99.04444	1.3
99.08073	1.7
101.02351	2.4
103.86573	1.2
105.07026	20.4
107.04945	4.2
107.08595	13.1
109.06493	4.7
109.10142	16.8
111.04467	1.8
111.08064	8.3
113.05982	1.7
117.06996	1.8
119.08573	17.6
121.06442	1.4
121.10126	13.7
121.66334	1.1
123.08039	2.5
123.11689	5.9
125.09586	1.7
127.03912	2.2
129.06987	7.3
131.08569	9.4
133.06532	1.9
133.10095	11.8
135.11681	4.9
137.09531	1.5
137.13225	3.4
139.77208	1.0
142.07784	1.8
145.10112	3.0
147.11690	12.1
149.09590	3.3
149.13182	1.6
157.10146	9.6
161.13281	3.0
163.11151	2.9
163.14833	1.6
165.12791	2.7
175.11171	10.4
184.07378	5.7
193.12238	31.4
201.56299	1.2
211.13271	44.7
227.12785	1.5
243.08374	1.7
245.22678	1.5
263.23688	4.1
267.15952	14.8
283.15497	1.3
285.16931	47.1
294.42401	1.1
335.25705	1.9
336.26306	1.8
337.27322	87.6
338.27551	2.9
467.19064	9.4
489.35666	3.1
519.29016	4.2
529.38898	14.9
547.39911	100.0
548.39807	6.2
708.42792	1.1
745.41235	96.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.6
55.01858	9.9
55.05509	28.4
56.09278	2.4
57.03435	25.0
65.03939	3.7
67.05502	86.3
69.03419	5.6
69.06726	3.4
69.07066	37.7
69.53539	19.9
70.06594	4.1
71.01341	5.0
71.04983	8.0
73.02921	2.9
79.05490	74.1
81.03419	14.5
81.07058	69.5
83.04962	18.7
83.08629	12.6
85.02870	5.7
85.06526	3.6
86.09706	15.6
91.05474	57.2
91.16344	2.1
93.06477	5.2
93.07041	83.0
95.04970	16.1
95.08612	24.4
97.02888	4.4
97.06528	25.2
97.10168	18.4
99.04491	3.1
105.07030	34.3
107.04933	10.1
107.08584	62.0
109.02903	2.7
109.06501	8.3
109.10161	11.8
111.08090	6.8
117.07021	20.9
119.08593	21.7
121.06483	3.4
121.10139	17.3
123.11646	2.6
124.99988	8.6
125.09621	9.1
129.06963	6.5
130.62434	2.2
131.08566	14.5
133.10118	18.4
135.08063	4.2
135.11682	55.4
137.09641	3.0
143.08553	5.3
145.10114	19.4
147.11644	12.0
149.09615	10.6
149.13240	8.8
151.11147	2.3
155.08533	3.0
157.10104	3.5
159.11659	12.2
161.13229	3.9
163.11140	12.9
171.11584	3.1
173.04411	2.6
173.13139	3.9
181.12250	11.5
184.07359	33.8
195.13861	4.2
197.13205	2.8
200.87805	2.4
227.12784	15.4
229.19341	2.9
255.15903	100.0
257.18948	9.7
269.17392	15.1
275.20081	28.8
293.21024	3.6
349.23752	20.8
425.25296	4.9
433.29437	3.4
435.27383	22.5
449.28970	86.8
507.14493	2.5
529.35352	47.7
547.35968	6.5
764.82715	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	744.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53408	2.0
55.01863	2.3
55.05514	12.2
55.32715	1.9
57.03430	8.3
60.08173	4.5
67.05500	31.6
67.69611	1.7
69.07053	9.8
70.11129	4.6
70.11541	7.5
71.01334	3.3
71.04983	2.8
71.07365	3.4
79.05495	27.3
81.03408	5.6
81.07049	31.2
83.04960	8.4
83.08614	5.8
85.02893	3.2
86.09702	36.6
91.05470	17.1
93.07032	31.8
95.04961	7.7
95.08600	10.2
97.06520	8.5
97.10189	5.9
98.98468	3.3
104.10703	3.4
105.07027	11.5
107.08576	22.8
109.06522	2.0
109.10136	4.9
115.34673	2.0
116.20303	2.0
117.06995	6.4
119.08563	6.4
121.10126	7.3
123.08060	2.1
125.00006	24.4
125.09592	2.6
131.08556	4.8
133.10106	6.5
135.11685	24.1
136.10521	2.2
145.10114	7.2
149.09634	4.9
149.13245	4.1
157.10062	2.5
159.11714	2.3
163.11168	6.6
181.12286	5.8
184.07332	100.0
195.13794	2.7
199.13144	2.1
255.15918	34.0
269.17444	9.4
275.19940	10.3
349.23566	7.0
435.27478	13.2
449.28973	56.0
529.35205	12.4
530.35437	2.0
547.36133	2.8
592.04382	2.2
606.17731	2.1
726.42676	2.6
744.43225	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.2
56.05036	0.9
58.06609	0.3
59.51393	0.2
60.08161	6.9
64.20602	0.2
67.05500	0.7
70.06580	0.2
71.07374	3.6
71.08603	0.3
71.58133	0.3
71.58502	0.2
79.05489	0.7
81.07066	0.8
83.08627	0.2
85.24616	0.2
86.09705	33.3
91.05488	0.5
93.07042	0.7
95.04960	0.4
95.08600	0.4
97.06540	0.2
98.98459	3.2
104.10734	3.1
105.07022	0.3
107.08574	0.5
117.07064	0.2
119.08572	0.4
120.08122	0.3
121.10132	0.2
125.00004	22.0
133.10088	0.3
135.11656	0.5
143.01018	0.6
145.10152	0.2
184.07336	100.0
185.07611	0.4
193.55936	0.2
198.23692	0.2
255.16010	0.3
315.21631	0.2
449.28906	0.3
529.34772	0.4
534.31677	0.3
547.35583	0.2
744.32190	0.3
744.44397	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	744.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48228	0.3
55.01865	0.3
55.05494	0.4
56.05016	0.5
57.03437	0.3
58.06335	0.3
58.06606	1.0
59.07380	0.7
60.07886	0.4
60.08165	5.9
67.05483	0.8
71.07368	3.2
71.19881	0.3
71.20216	0.4
79.05474	0.9
81.03422	0.4
81.07046	1.0
85.34623	0.3
86.09705	28.7
91.05477	0.5
93.07024	0.7
95.08608	0.4
98.98470	2.2
104.10751	2.2
109.10162	0.3
119.08525	0.3
119.45034	0.3
121.10130	0.4
125.00002	18.3
131.08472	0.3
143.01077	0.4
147.11652	0.3
149.13239	0.3
184.07336	100.0
185.07632	0.6
191.80869	0.3
193.70230	0.3
202.56454	0.3
206.46140	0.3
222.08778	0.5
262.77917	0.3
329.12289	0.3
654.99884	0.3
676.88220	0.4
726.76434	0.3
744.44476	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.9
57.03437	1.7
61.02924	4.9
65.03933	1.0
66.78326	0.9
67.05495	7.3
69.03425	2.7
69.07053	1.2
69.24232	8.3
69.24646	3.0
71.75293	0.8
73.02918	3.7
79.05485	5.8
81.03406	2.1
81.07079	4.6
83.04980	1.2
85.02919	5.7
87.04470	1.0
91.03983	3.6
91.05492	3.9
93.07035	4.7
95.04992	1.5
95.08625	4.3
97.02883	5.7
97.42562	1.0
98.21502	2.0
101.02381	2.6
105.07066	3.2
107.08612	3.2
109.10166	1.7
112.14936	1.0
113.72331	0.9
117.06997	1.2
119.08604	1.7
121.10146	2.2
127.03873	1.1
135.11647	1.6
147.11678	2.2
151.88637	1.0
159.73563	1.1
243.08499	1.4
247.13249	1.1
273.47134	1.1
465.21271	5.8
519.29266	7.2
743.43408	100.0
744.43866	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	742.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61446	5.9
55.01861	10.0
55.05499	29.0
57.03426	14.8
58.05247	5.3
67.05505	66.1
69.07058	33.0
69.24335	23.1
69.24763	45.7
78.03745	6.4
79.05473	36.4
81.03413	19.1
81.07054	76.7
83.04971	11.6
83.08617	20.8
85.02892	14.2
91.05480	31.2
93.07038	44.7
95.04977	20.3
95.08612	47.0
97.02936	7.4
97.06530	10.1
97.10153	9.5
98.21549	15.0
105.07018	23.0
107.04978	7.4
107.08572	20.7
109.10141	25.4
117.07060	8.2
119.08597	16.4
121.10130	20.4
129.07057	6.8
130.08649	5.7
131.08580	6.6
133.10133	16.8
135.11723	18.0
145.10149	7.2
147.11697	8.8
149.47960	6.1
163.11180	21.4
181.12289	9.2
193.12085	9.8
229.19933	6.2
261.22183	11.4
267.15845	11.7
283.15417	85.5
285.17032	28.1
330.28473	6.6
335.25824	37.5
337.27335	99.0
527.37372	7.7
545.30499	8.8
545.38391	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60416	1.2
53.03951	3.2
55.01872	1.8
55.05506	17.5
57.03435	12.8
60.44887	1.6
61.02914	3.1
65.03909	4.1
67.05501	48.9
69.03420	3.5
69.07064	10.3
70.43375	1.2
71.04976	5.3
77.03858	1.4
79.05488	39.7
81.03414	45.8
81.07051	49.6
83.04964	10.5
83.08618	20.8
85.02894	15.2
85.06507	2.5
86.09702	1.7
91.05481	28.1
93.06481	3.0
93.07038	39.3
95.04965	18.4
95.08602	32.9
97.02885	3.8
97.06551	2.3
97.10137	4.0
98.20667	2.4
98.73000	1.5
105.07026	20.2
107.04913	4.1
107.08597	16.9
109.06479	4.7
109.10151	11.7
111.04445	2.1
111.08062	5.8
113.05926	1.9
117.06993	5.2
119.08565	16.8
121.10133	16.4
123.08061	1.6
123.11692	3.8
129.06992	6.1
131.08565	9.8
133.06442	2.1
133.10114	9.7
135.11702	7.7
142.07719	1.3
145.10112	6.5
147.11693	11.8
149.09663	2.4
149.13260	3.5
150.99725	1.4
157.10126	9.8
159.11693	2.1
161.13156	2.0
165.12753	1.7
173.13231	2.6
175.11165	10.4
184.07324	4.8
193.12228	28.9
211.13255	37.7
222.18761	1.7
248.75932	1.5
261.22098	5.5
267.16003	10.3
285.16959	35.9
296.38760	1.5
317.24670	2.1
335.25787	67.7
336.26169	1.9
519.06818	1.8
527.37195	8.7
545.38318	100.0
546.38446	4.9
756.11945	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.3
55.05503	27.6
57.03435	24.3
61.02937	5.5
62.43496	4.8
65.03928	5.7
67.05507	86.2
69.03417	10.2
69.07066	22.9
71.04971	5.5
71.07373	4.4
71.58852	8.4
79.05490	66.1
81.03419	59.4
81.07055	77.3
83.04961	15.8
83.08621	21.8
85.02909	21.2
86.09731	28.0
89.06029	6.0
91.05473	50.6
93.07038	58.6
95.04966	29.2
95.08595	44.6
97.02885	8.0
97.06547	5.9
105.07012	40.8
107.04934	9.0
107.08585	29.8
109.02955	5.0
109.10153	19.9
111.08109	10.3
117.07005	10.4
119.08598	33.5
121.10144	27.3
124.99985	14.7
129.06999	12.9
131.08537	21.9
133.10106	16.2
135.11719	12.3
137.13214	4.8
145.10100	6.7
147.11668	22.3
149.09619	11.2
149.13261	7.1
157.10098	18.1
159.11722	9.0
173.13174	8.8
175.11107	7.8
184.07359	64.9
193.12260	37.1
193.13829	4.3
211.13261	51.2
227.20039	11.4
261.21967	12.3
267.16071	10.8
285.16907	41.4
335.25809	97.0
385.60971	5.6
388.48343	5.1
465.48871	4.9
527.37347	13.3
545.38373	100.0
742.44934	5.9
767.14105	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	742.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.3
54.41055	1.8
55.01889	2.7
55.05513	19.8
57.03436	15.9
61.02945	2.1
65.03946	3.9
67.05505	60.8
68.94318	2.4
69.03421	6.7
69.07070	13.7
69.36951	10.5
69.37376	8.9
71.04980	4.0
76.57313	1.8
76.62082	1.9
79.05486	46.2
81.03413	50.4
81.07054	51.2
82.16897	2.5
83.04964	14.8
83.08610	21.3
85.02906	21.4
85.06526	3.3
91.05481	41.0
93.07042	43.7
95.04960	24.0
95.08609	38.8
97.02883	3.3
97.06525	4.4
97.10164	5.3
98.21573	4.3
101.55350	1.8
105.07033	22.8
105.12070	2.4
107.04967	4.6
107.08598	24.1
109.06519	4.8
109.10160	14.1
111.04411	2.7
111.08080	9.0
113.05936	2.1
114.28627	1.9
117.06990	5.1
119.08588	20.7
121.10156	18.5
123.08042	3.1
123.11694	2.9
125.09632	2.5
129.06990	7.7
131.08559	14.6
133.10146	13.4
135.11697	8.5
137.09586	2.7
145.10170	4.9
147.11673	13.8
149.09631	4.0
149.13280	6.1
157.10072	11.0
159.11697	5.7
161.13203	2.8
163.14839	4.0
173.13289	5.2
175.11203	8.3
187.14764	2.2
193.12227	35.3
193.13847	2.6
211.13287	54.0
261.22266	10.7
267.15878	15.1
280.87363	1.9
285.16946	47.5
317.24866	3.8
335.25787	100.0
527.37012	12.6
545.38354	97.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.9
55.01863	2.9
55.05512	20.0
57.03432	11.2
60.08158	2.4
61.02907	2.6
65.03939	2.4
67.05500	46.1
69.03429	5.1
69.07069	11.3
69.36687	16.6
71.04964	3.4
71.08610	1.5
76.26842	1.3
77.03927	1.6
79.05488	37.2
81.03411	49.3
81.07050	43.2
83.04985	12.0
83.08614	18.7
85.02898	19.0
85.06551	2.0
86.09702	5.0
91.05474	32.0
91.06024	2.8
93.07040	42.9
95.04967	18.3
95.08600	31.5
96.08908	2.0
97.02899	3.8
97.06530	4.1
97.10167	4.5
105.07017	22.8
107.04929	4.5
107.08598	18.4
109.06510	4.1
109.10165	10.8
111.04396	1.9
111.08067	7.0
113.05989	2.0
117.07021	3.9
119.08585	19.4
121.06490	2.2
121.10149	18.3
123.07989	2.0
123.11697	4.8
125.09625	2.6
129.06979	8.1
131.08586	12.1
133.10120	11.4
135.11671	8.5
145.10098	5.1
147.07979	2.3
147.11684	12.6
149.09642	4.9
149.13261	3.0
157.10118	8.9
161.13264	1.9
173.13326	2.1
175.11215	10.5
181.72815	1.4
184.07332	13.8
187.14758	1.7
193.12244	36.0
211.13272	45.9
243.21130	3.3
261.22192	6.2
267.16028	9.4
284.15833	2.5
285.16962	43.4
335.25790	48.7
336.26254	4.5
391.20334	1.7
471.34598	2.0
471.41156	1.5
527.37109	8.9
545.38312	100.0
546.38098	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	742.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.7
55.01878	5.8
55.05510	35.7
55.40327	2.5
57.03435	30.4
61.02920	5.9
65.03919	4.1
67.05500	85.5
69.03432	3.0
69.07061	19.0
71.04971	6.2
75.61067	2.6
79.05150	2.2
79.05489	63.8
81.03416	79.3
81.07051	72.7
83.04985	24.7
83.08618	29.7
85.02903	30.5
85.06551	4.6
91.03943	3.3
91.05479	59.9
93.07038	58.0
95.04969	41.3
95.08606	51.8
97.02885	6.6
97.06527	5.8
97.10175	6.7
105.07027	42.1
107.04947	7.0
107.08570	25.2
109.06532	5.3
109.10170	10.9
111.08080	9.5
116.35165	2.5
117.07010	7.6
119.08573	30.2
121.10119	19.6
123.08090	5.1
123.11691	5.5
129.06970	14.5
131.08574	23.3
133.06439	2.9
133.10130	19.5
135.11665	8.0
137.09599	3.5
142.07726	3.1
145.10123	9.3
147.07947	3.4
147.11707	13.4
149.09625	5.6
149.13275	5.6
157.10110	14.2
161.13156	3.7
165.12743	4.5
173.13318	4.0
175.11148	16.8
175.53633	2.7
193.12225	61.1
211.13277	99.1
243.21095	3.9
261.22116	8.2
267.15817	15.7
285.16949	89.7
335.25787	95.4
527.37476	11.9
545.38348	100.0
546.38617	5.2
627.59741	3.2
700.72510	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	742.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.1
55.01860	7.4
55.05510	25.6
56.96554	2.1
57.03437	12.5
64.59713	1.7
65.03934	2.3
67.05503	34.3
69.03426	6.9
69.07064	10.4
70.06590	3.1
71.04982	7.8
71.58174	2.4
79.05494	39.8
81.03418	66.4
81.07054	29.9
83.04992	8.4
83.08620	18.7
85.02893	6.0
85.06532	1.9
91.05483	29.7
93.07043	29.5
95.04971	32.0
95.08617	15.1
97.02891	3.9
97.06526	7.3
97.10181	18.7
99.04421	2.7
101.32670	1.7
101.66405	1.7
103.05466	2.3
105.07028	24.2
107.04951	26.4
107.08589	18.5
109.02883	2.9
109.06523	23.5
109.10154	10.3
111.04476	4.3
111.08059	7.3
112.11214	1.7
115.05446	3.6
117.07025	8.3
119.04931	2.4
119.08581	17.4
121.06512	16.0
121.10156	16.7
123.04404	3.3
123.08061	6.0
123.11700	2.8
125.02445	1.8
125.09632	12.8
127.03898	1.8
128.06181	2.1
128.37842	1.6
129.05467	2.6
129.06978	12.4
131.04933	4.8
131.08572	17.1
133.06520	4.9
133.10124	12.7
135.08061	8.2
135.11656	3.1
137.05945	5.5
137.09581	2.1
139.11192	4.2
141.06975	2.6
142.07782	2.0
143.08569	3.9
145.06464	7.7
145.10110	7.2
147.04350	2.3
147.08076	9.0
147.11694	10.4
149.05916	1.8
149.09592	7.4
151.11084	2.1
153.01833	11.2
153.09161	4.8
155.08553	3.3
157.06500	2.2
157.10117	10.3
159.08034	3.0
159.11711	2.2
161.05957	2.9
161.09612	3.5
163.07590	2.9
163.11162	5.7
165.12782	2.9
167.07066	6.8
169.06633	2.0
169.09993	2.1
171.08011	2.2
171.11646	3.2
173.05978	2.9
173.09669	2.3
173.13368	3.6
175.07617	2.8
175.11176	8.7
184.07330	2.7
189.11191	7.8
191.14331	4.9
193.12196	19.0
195.08160	2.3
195.11696	2.3
197.13272	1.9
199.11192	2.5
201.12804	2.4
209.11688	3.6
211.11519	2.1
211.13332	8.1
215.14299	2.9
217.16002	2.5
219.13843	14.0
221.11772	1.8
233.15491	4.0
255.13857	3.0
259.15488	11.5
267.15903	47.0
273.14777	4.5
283.15494	2.5
285.16742	2.8
293.17572	6.6
306.59201	1.7
327.12241	1.8
349.21640	7.2
357.24295	2.8
367.22702	18.5
385.23730	28.8
403.24738	12.9
441.26251	7.1
451.26721	3.0
459.27399	100.0
460.27731	3.8
477.28503	93.4
491.30316	9.6
495.29431	4.4
501.28433	3.4
529.00488	2.1
666.89008	2.2
742.39960	4.2
742.52893	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	741.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03706	1.1
53.03944	14.2
55.01872	18.2
55.05510	9.7
57.03425	2.7
61.02919	1.5
63.25040	0.9
65.03939	2.7
66.53141	0.8
67.05499	8.3
68.99754	1.2
69.03426	52.2
69.07059	1.1
69.50837	0.9
70.05357	5.6
70.06585	1.2
71.01350	4.4
71.04990	2.6
73.02908	2.8
73.74809	0.9
76.58840	0.9
77.03902	3.0
79.05489	77.4
81.02924	1.6
81.03411	29.3
81.07043	6.3
83.04970	3.2
83.08620	8.4
84.57156	0.9
85.02900	29.3
91.05477	53.7
93.03392	1.0
93.07038	83.8
93.48044	1.0
94.07372	1.4
95.01318	1.2
95.04964	39.5
95.08624	5.1
97.02894	7.9
97.06506	5.6
99.04470	7.6
103.03926	1.1
103.05439	4.2
105.04527	6.1
105.07027	9.5
107.04964	6.3
107.08597	2.8
109.02873	12.4
109.06496	2.7
109.10167	1.0
109.21037	1.1
111.04439	3.5
111.08080	19.0
115.03898	1.7
115.05431	2.9
116.06315	0.8
117.07008	6.7
119.04910	2.6
119.08560	4.4
121.02836	1.3
121.06495	38.8
121.10091	1.5
123.04455	1.6
123.08041	3.5
127.03912	50.5
128.04242	1.0
128.06174	1.5
129.06964	2.7
131.04921	2.0
131.08553	4.4
133.06499	5.5
135.04411	1.3
135.08051	8.9
137.02298	3.0
137.05948	5.8
139.07535	61.1
141.07011	1.4
143.08598	1.5
144.05611	1.3
145.04973	2.9
145.06497	5.4
145.10117	1.8
147.08008	3.4
149.05968	2.5
149.09586	3.3
151.07486	3.2
153.01810	5.4
153.06812	0.9
155.08534	2.4
157.06479	1.3
157.08585	2.4
157.10089	1.4
159.08054	4.6
161.05995	2.0
161.09604	1.4
163.07567	9.4
163.11165	1.2
165.01842	2.5
165.06981	1.2
167.06987	1.3
167.23431	0.9
173.05956	1.7
173.09637	2.7
175.07489	3.4
177.05608	1.1
177.09088	3.9
181.08607	3.0
183.08078	1.2
187.07541	2.5
189.09177	1.2
193.08563	3.0
194.12659	1.4
201.05482	2.2
201.09062	3.1
205.08536	4.7
214.47144	0.9
217.08560	1.8
219.10135	1.1
229.04968	3.8
229.08617	3.1
241.12265	1.6
247.09653	3.0
257.04507	1.8
265.10675	6.7
283.11642	1.8
285.03931	1.7
303.04980	100.0
304.05200	3.1
323.77679	1.0
383.22064	1.1
403.17267	1.6
476.27322	2.8
585.15918	1.2
681.34277	1.9
741.38043	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47180	3.7
55.01869	8.0
55.05510	19.4
57.03425	6.1
61.02910	3.3
62.14914	3.8
67.05502	44.8
69.07066	19.2
70.09158	5.0
70.09455	22.5
71.05008	4.5
75.47431	3.4
79.05499	34.1
81.03406	12.3
81.07059	54.3
81.32660	3.6
83.04989	4.1
83.08609	6.0
85.02893	5.1
91.05479	36.1
91.10714	4.0
93.07037	43.5
95.04986	8.6
95.08584	24.6
97.06517	14.4
97.10222	3.6
105.07030	38.2
107.04951	10.7
107.07969	3.9
107.08585	22.8
109.10181	7.7
117.07013	9.8
119.08577	16.3
121.10158	11.8
131.08545	15.2
133.10129	20.3
135.11667	13.5
145.10120	12.7
147.11697	10.9
149.09587	4.5
149.13211	9.3
150.64908	3.8
159.11674	12.3
163.11182	6.6
173.13255	6.7
179.14290	7.0
179.61916	4.6
195.13820	5.1
227.12872	7.1
261.22113	3.9
269.17532	26.0
275.19986	35.0
283.15424	13.8
335.25723	19.2
349.23709	10.9
440.08585	4.2
529.68536	4.3
543.36792	100.0
544.36676	7.4
561.37604	5.2
610.30029	3.9
751.17975	4.1
766.96155	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	740.457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.2
55.01868	3.9
55.05508	18.5
57.03434	9.4
57.07060	2.1
61.02911	1.4
65.03918	2.4
67.05500	48.7
69.03408	2.4
69.06725	0.9
69.07065	13.6
70.76031	0.7
71.04995	3.5
73.02912	1.5
73.95264	0.6
75.75183	0.7
79.05487	42.6
80.05822	0.8
81.03400	2.4
81.07051	50.9
83.04988	4.6
83.08612	13.1
85.02879	1.6
85.06538	1.2
91.05479	18.5
93.07037	61.4
95.04964	10.2
95.08599	60.2
97.02888	4.4
97.06527	4.5
97.10145	2.5
98.20769	1.5
99.04471	4.0
99.08049	0.7
103.05436	0.9
103.34900	0.7
105.06379	1.3
105.07024	13.6
107.04951	9.4
107.08587	40.0
109.06516	3.6
109.10155	10.1
111.04427	1.4
111.08055	2.1
113.09633	0.7
117.07011	10.1
119.08585	14.2
121.06494	5.8
121.10134	21.9
123.08041	0.8
123.11692	3.1
125.06010	3.6
129.06969	0.8
130.07787	2.0
131.08553	5.5
133.10110	5.4
135.08049	2.1
135.11681	60.0
136.17168	0.8
139.07527	3.0
143.08525	1.0
145.10110	32.5
147.11644	2.4
149.13249	2.9
153.12662	1.0
159.11688	1.9
161.13286	2.2
163.11166	66.0
163.14822	1.5
164.11557	1.0
173.13226	1.8
175.14771	1.0
181.12207	9.2
209.11705	1.3
227.12764	88.1
228.13171	2.1
243.21056	2.1
256.58771	0.7
261.22089	9.5
283.15375	95.6
284.15805	2.5
317.24713	3.0
335.25775	100.0
336.26089	3.0
543.36792	77.7
544.36884	5.0
567.45691	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.4
54.78816	1.5
55.01864	7.2
55.05500	21.2
57.03431	16.0
57.07054	2.4
59.05010	3.0
60.22381	1.6
61.02911	5.3
62.86789	1.7
67.05499	55.0
69.03432	2.4
69.06712	2.0
69.07066	14.0
69.34127	5.5
69.34534	9.4
71.04978	2.8
73.02895	1.8
79.05487	38.9
81.03405	7.1
81.07049	52.0
83.01340	6.0
83.04972	12.8
83.08616	12.1
85.02892	8.2
85.06521	1.7
86.09696	2.9
91.03941	2.7
91.05470	27.0
93.07038	46.4
95.04961	9.2
95.08597	33.3
97.02895	4.6
97.06520	3.9
97.10159	5.6
99.04449	2.0
105.07011	13.6
107.04942	6.8
107.08574	23.9
109.06516	5.8
109.10139	11.8
111.04466	2.2
111.08065	2.3
113.09644	1.6
117.06971	9.7
119.08562	14.5
121.06479	2.9
121.10119	21.6
123.08054	5.9
123.11694	2.3
125.00037	2.0
125.09626	3.2
129.06932	2.2
130.07727	2.0
131.08565	9.4
133.10097	9.0
135.11679	16.7
135.47353	1.6
137.09567	3.4
145.10123	19.0
147.11681	5.9
149.09592	2.0
149.13277	5.6
153.12793	2.6
159.11673	6.2
161.13245	3.4
163.11153	20.9
163.14787	2.3
173.09624	3.7
173.13214	4.0
175.14822	1.9
181.12213	4.1
184.07327	4.9
187.14906	2.5
189.11325	1.8
190.15099	1.7
191.10654	3.5
193.12248	2.4
209.11725	7.9
221.82936	1.6
227.12799	10.4
238.20255	1.7
243.21153	5.3
261.22156	18.9
283.15387	100.0
284.16049	1.6
299.23682	4.9
317.24734	4.8
333.24222	3.2
335.25769	96.7
336.26144	2.8
425.06146	1.6
433.31085	2.3
445.44623	1.6
451.32404	2.6
469.33081	2.2
525.35406	3.3
543.36725	70.7
544.37201	3.0
575.19745	2.0
690.46277	1.7
743.18048	1.8
768.48645	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.01873	3.4
55.05260	1.3
55.05510	16.2
57.03435	9.5
57.07064	1.7
57.71493	0.8
59.04985	0.9
59.21082	0.7
61.02916	2.5
65.03937	1.4
65.93710	0.8
66.06767	0.8
67.05502	42.0
68.01048	0.8
69.03422	2.4
69.07063	14.5
70.16319	3.3
71.04969	3.0
71.27972	0.8
73.02916	1.2
77.56956	0.7
79.05489	39.9
81.03415	2.4
81.07053	44.6
83.04979	4.3
83.08614	10.9
85.02895	1.0
85.06533	1.9
88.62582	0.7
90.92873	0.8
91.05477	16.3
93.07040	54.6
94.07390	0.8
95.04968	8.2
95.08604	50.7
97.02873	4.8
97.06516	4.8
97.10162	2.0
99.04454	3.7
103.05462	1.3
105.07018	13.5
107.04960	7.4
107.08591	31.7
109.06514	3.4
109.10159	10.9
111.04443	2.4
111.08086	1.5
117.07035	9.0
119.08575	12.9
121.06502	5.6
121.10140	21.1
123.08057	1.7
123.11706	1.9
125.06010	3.7
130.07768	1.5
131.08556	5.7
133.10123	6.8
135.08064	2.3
135.11681	47.8
137.13240	1.4
139.07509	1.9
143.08537	0.9
145.10112	30.1
145.95082	0.8
147.11668	2.5
149.13293	3.8
153.12744	1.3
159.11710	2.8
161.13249	1.9
163.11171	59.8
164.11438	0.9
173.13257	2.6
175.14815	0.8
181.12231	10.3
184.07420	0.9
187.14749	1.9
209.11752	2.4
227.12769	83.2
228.13040	1.2
243.21057	2.6
261.22189	10.2
283.15384	98.5
284.15717	1.7
317.24753	2.7
335.25778	100.0
336.26187	3.0
543.36798	81.7
544.37030	2.9
561.37952	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.9
55.01876	10.3
55.05513	25.7
57.03431	17.9
57.07054	2.9
59.04982	2.9
60.08158	4.5
61.02917	4.6
61.77820	2.4
65.03936	3.6
67.05501	57.5
69.07057	13.5
70.19775	2.0
71.04989	5.1
73.02905	1.7
79.05489	55.3
81.03412	15.8
81.06592	3.8
81.07053	64.1
83.01340	14.5
83.04974	13.7
83.08630	14.6
85.02876	10.6
86.09705	14.4
91.03925	3.8
91.05476	30.2
93.06477	4.0
93.07036	57.9
94.92430	1.9
95.04958	12.2
95.08603	35.3
97.02870	6.1
97.06502	4.9
97.10132	5.5
98.98443	3.1
99.04405	2.6
105.07024	26.5
107.04939	7.5
107.08594	35.0
109.06527	7.0
109.10149	17.5
111.04426	3.0
111.08066	4.7
117.07002	15.0
117.97993	2.0
119.08598	18.3
121.06492	3.7
121.10138	25.7
123.08046	8.6
123.11726	4.6
124.99995	9.3
125.09607	4.1
129.06953	5.2
130.07756	3.8
131.08548	13.6
133.10133	11.2
135.11710	17.9
143.08574	3.0
145.10110	22.1
147.11752	3.4
149.13243	4.4
153.12718	5.2
159.11671	8.3
163.11172	26.7
173.09528	2.1
173.13268	4.9
173.15375	2.1
181.12222	5.8
184.05780	3.2
184.07341	40.0
185.07677	8.7
186.07820	4.4
187.14793	3.0
189.11168	3.9
189.54503	2.1
191.10672	3.4
209.11736	8.0
227.12837	12.1
243.21144	4.2
261.22147	15.7
283.15390	100.0
284.15619	4.3
317.24521	4.4
335.25784	70.6
335.29828	3.5
451.31482	3.0
469.33020	3.1
525.35358	3.5
543.36798	40.3
561.37762	3.2
690.46277	3.5
743.27850	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
53.04174	0.9
55.01876	2.2
55.05517	6.7
55.94558	0.8
57.03440	4.9
61.27754	0.8
67.05502	23.3
68.05845	0.8
69.03429	1.8
69.07072	4.4
71.04995	10.3
73.79187	0.7
79.05488	13.8
81.03419	18.4
81.07057	29.9
83.04990	2.2
83.08628	6.9
85.02917	1.2
85.06537	3.2
87.11693	0.7
91.05482	15.6
91.06025	1.6
92.67031	0.9
93.07043	10.4
95.04973	12.6
95.08587	7.7
97.02878	2.0
97.06521	2.5
97.10172	3.1
97.75898	0.8
105.07025	11.7
107.04945	7.4
107.08603	8.9
109.06523	7.2
109.10149	4.7
111.08102	2.2
117.07034	4.2
117.62751	0.7
119.08569	6.1
121.06496	7.2
121.10146	4.7
123.08092	2.5
123.11684	3.9
125.09651	3.3
129.06985	4.6
131.04961	1.1
131.08543	7.9
133.06516	1.5
133.10115	7.1
135.08054	3.0
135.11707	2.0
137.06084	1.1
137.09625	0.9
139.07413	0.9
141.07027	0.8
143.08565	1.6
145.06500	1.9
145.10139	2.5
147.08031	2.5
147.11684	3.1
149.09619	2.0
149.13173	2.1
151.11221	2.8
155.08539	1.0
157.10170	4.0
159.08099	1.1
159.11703	3.3
161.09557	1.0
163.11151	1.9
171.11693	1.9
173.13257	1.6
175.11209	1.8
177.12686	0.8
183.11694	1.0
187.13336	1.1
189.11192	0.9
191.14317	2.2
192.12259	0.8
193.12219	4.5
205.12355	1.2
217.15930	1.0
219.13905	3.2
223.13271	1.3
227.12714	0.8
231.14052	0.9
249.14699	0.9
257.17508	1.1
263.16412	1.0
267.15955	8.5
269.17365	1.9
275.16544	1.0
275.19962	0.9
285.16898	1.6
299.26257	0.8
301.14404	0.9
301.20135	3.1
314.91888	0.8
325.21539	1.3
343.22693	3.9
351.22815	0.8
361.23886	1.2
369.24341	3.1
371.25677	1.1
387.25287	1.1
417.26392	4.4
425.26849	1.8
435.27466	15.1
443.27905	12.3
461.28976	100.0
462.29343	3.9
475.30731	1.1
493.31625	5.4
503.29947	1.0
604.52271	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.9
53.61332	1.9
55.01871	9.5
55.05508	57.6
57.03432	32.1
59.04752	2.5
59.05002	28.7
61.02914	4.6
65.03929	7.4
65.69692	1.8
65.81115	1.8
67.05503	100.0
69.03440	9.6
69.07072	14.2
70.04182	9.7
71.04983	19.7
73.02914	2.6
79.05490	61.2
79.41108	2.2
81.03417	74.9
81.06586	3.1
81.07052	56.4
83.04977	25.7
83.08615	35.9
84.67464	1.9
85.02908	34.8
85.06535	5.2
86.63666	1.9
87.04002	2.9
87.04470	39.2
87.47425	1.9
91.05479	57.6
93.07043	34.7
95.04964	33.5
95.08598	20.2
95.60473	1.9
97.02901	10.8
97.06525	8.6
97.10164	25.6
99.04455	29.1
99.08090	2.9
105.06390	3.1
105.07028	38.6
107.04942	19.2
107.08588	20.9
109.06508	8.5
109.10155	65.5
111.04433	5.9
111.08080	13.7
111.28107	2.0
113.05991	5.2
115.05462	3.2
117.06991	6.3
119.08582	30.3
121.06483	3.8
121.10131	14.7
123.08046	4.5
123.11719	3.1
125.09630	19.6
128.06232	2.2
129.06990	14.6
131.08562	16.2
133.06445	2.5
133.10132	16.5
135.11646	5.1
137.09622	5.3
139.07491	2.2
139.69400	1.9
142.07755	5.1
145.10121	9.7
147.08015	6.2
147.11684	19.6
149.09573	8.2
153.01726	2.8
153.12775	5.1
155.10677	2.8
157.10117	19.5
163.11169	10.0
165.12721	5.5
173.09602	2.5
173.11748	21.5
175.11195	23.3
181.12224	3.3
191.10739	4.9
193.12239	63.8
199.13286	13.1
209.11736	4.1
211.13275	70.2
217.14139	3.4
223.13307	3.0
227.12755	7.0
229.14331	61.6
241.14410	5.1
267.15903	32.9
283.15427	5.0
285.16953	43.6
303.04977	4.0
313.16586	3.8
315.17999	5.3
335.21872	1.9
409.25580	4.3
421.25833	16.4
427.27072	10.9
439.21149	3.6
439.26901	56.9
440.27393	2.5
457.25586	3.9
475.26694	9.1
493.27835	4.2
511.29056	2.6
516.29950	2.1
525.30267	3.8
543.31366	4.0
651.30737	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	740.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.9
55.01863	21.5
55.05506	28.3
57.03432	27.7
57.07063	1.8
61.02910	2.4
65.03908	2.7
67.05499	44.6
69.03413	7.8
69.07059	12.6
69.50723	3.9
69.51133	12.5
71.01337	2.6
71.04972	4.8
79.05490	39.8
81.03413	100.0
81.07050	33.3
82.04181	3.3
83.04978	21.6
83.08147	2.2
83.08612	27.5
85.02892	6.7
85.06552	3.6
91.05482	38.6
93.07043	30.4
95.04955	40.5
95.08595	16.5
97.02880	6.5
97.06538	10.8
97.10165	19.0
98.07306	4.5
99.08136	2.7
105.07027	23.7
107.04951	16.8
107.08583	18.3
109.06517	6.9
109.10126	15.8
111.04435	11.7
111.08070	13.3
115.05408	3.2
116.04685	9.6
117.07027	8.8
119.04932	2.1
119.08584	17.3
121.02856	6.6
121.06490	6.4
121.10154	11.1
123.04401	3.2
123.08060	7.1
125.09595	17.3
129.05492	28.2
129.06978	15.2
131.08566	16.7
133.06509	4.2
133.10144	10.5
135.04465	2.1
135.08032	4.6
135.11703	12.6
137.06027	2.7
137.09561	5.0
142.07768	2.4
143.07019	6.2
145.10065	9.3
147.08038	6.5
147.11649	11.7
149.09616	5.4
153.09148	3.8
153.12758	21.7
155.08556	3.7
157.08598	8.8
157.10112	12.5
163.11176	19.4
165.12828	3.2
171.10139	2.2
173.11761	4.6
175.11224	12.2
181.12239	19.3
183.11694	3.4
183.58212	2.1
189.11179	13.8
189.12656	2.3
191.10692	11.1
193.12231	33.9
199.13332	4.3
200.13956	2.4
201.12672	2.5
201.14915	3.3
209.11732	7.5
210.80171	1.9
211.13232	10.9
219.13832	6.4
227.12740	36.4
229.12402	2.7
229.14342	15.0
231.13698	2.9
247.13329	29.6
249.14862	3.6
255.15945	2.2
259.13272	3.1
267.15909	81.0
268.16357	3.4
283.15317	14.8
285.16806	2.3
301.16446	42.0
321.16922	7.7
355.22617	2.7
372.65054	2.4
383.21979	2.7
401.23071	3.3
457.25723	2.5
458.26852	3.0
459.27332	4.8
461.28955	3.4
475.27100	14.3
493.27951	46.2
494.28046	2.6
495.99475	2.1
497.30746	2.4
578.33057	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.5
55.01865	7.5
55.05508	39.1
57.03436	25.3
57.07072	2.2
57.76736	1.2
59.05000	31.0
61.02916	4.4
63.96046	1.2
65.03934	4.3
67.05501	100.0
69.03432	8.8
69.07067	13.5
71.01363	1.5
71.04988	14.6
71.31906	2.5
73.02919	2.6
75.77972	1.2
79.05487	42.3
81.03412	72.5
81.07051	47.8
82.03741	2.0
83.04972	22.5
83.08612	31.7
85.02898	27.3
85.06538	4.5
86.36375	1.2
87.04464	41.9
91.03973	1.5
91.05477	48.5
92.05785	1.8
93.07043	31.2
95.04961	35.2
95.08595	21.4
97.02894	8.6
97.06505	8.7
97.10171	18.9
99.04453	17.2
99.08115	2.4
105.07024	32.9
107.04958	12.2
107.08585	14.8
109.06529	7.8
109.10152	60.3
111.04436	7.0
111.08080	13.8
113.06013	2.1
115.03984	1.4
115.05460	1.8
116.77899	1.4
117.07017	5.8
119.08572	28.2
119.09356	2.1
121.06549	4.5
121.10131	13.8
123.08070	4.3
123.11680	2.3
125.09618	14.2
127.03905	2.2
128.06168	1.6
129.05470	1.8
129.07021	13.2
131.08562	14.6
133.06490	4.0
133.10127	16.2
135.11684	5.2
137.09612	4.4
142.07742	3.6
145.06497	1.3
145.10098	8.0
147.08037	4.3
147.11670	19.1
149.09619	8.1
153.12729	3.4
155.10718	2.5
157.10115	19.1
163.11162	10.5
165.08932	1.3
165.12778	3.1
173.09637	1.5
173.10118	1.6
173.11745	21.3
173.13197	2.4
175.11162	18.1
175.12524	1.6
181.12247	3.3
189.11246	2.6
191.10645	3.1
193.12231	59.4
199.13315	8.9
209.11803	3.4
211.13278	72.5
211.81496	1.2
212.13713	2.0
217.14359	1.9
223.13264	2.3
227.12764	10.8
229.14352	61.2
230.14685	1.8
241.14337	2.3
249.14973	1.7
267.15897	31.8
275.19974	1.9
283.15344	4.8
285.16956	44.6
286.17264	2.0
313.16574	3.2
315.17996	7.1
319.91711	1.4
409.25772	4.6
421.25757	17.9
422.26175	1.6
427.27011	5.4
439.26913	67.2
440.27283	2.6
461.29031	3.8
475.26886	5.5
493.27304	1.4
525.30408	5.7
543.31714	2.9
640.16309	1.3
740.38348	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.7
55.01863	19.6
55.05509	28.1
57.03447	21.1
57.03676	4.4
61.02911	10.1
65.03949	4.8
67.05508	80.9
69.03428	19.5
69.07062	22.9
71.04990	13.1
71.58376	8.6
73.02920	4.5
79.05497	68.6
81.03422	77.1
81.07061	100.0
83.04989	29.4
83.08628	24.6
85.02898	29.0
91.05487	84.8
93.07038	63.6
95.04968	38.7
95.08607	34.3
97.02889	14.4
97.06535	14.2
97.10170	10.3
99.04437	7.5
105.07032	65.0
107.04958	13.4
107.08586	34.4
109.02871	12.5
109.06508	21.1
109.10161	35.3
111.04449	8.6
111.08063	6.6
111.97266	4.2
115.05436	5.3
117.07007	18.1
119.08587	51.4
121.06502	7.7
121.10158	28.7
123.08082	9.8
123.11694	7.6
127.03912	4.5
129.06995	19.8
131.08592	25.2
133.10112	42.3
135.08070	11.5
135.11678	12.9
137.09581	6.9
145.10114	23.0
147.11693	33.5
149.09660	13.1
149.13274	9.4
151.11176	13.0
155.08551	6.4
157.10088	22.8
157.13477	5.6
159.11674	14.4
161.09644	4.5
163.11205	9.7
171.11647	4.9
173.11887	5.3
173.13293	5.3
175.11211	15.2
193.12241	42.7
195.13960	4.4
211.13264	56.3
239.02338	4.3
253.14310	13.8
257.19095	6.5
267.15988	31.4
275.20065	63.3
276.76401	4.4
285.16971	43.0
308.34271	5.0
349.23853	32.4
362.16306	4.8
419.40820	5.1
461.29776	5.9
479.30005	12.6
541.35059	13.5
559.36365	26.6
577.37225	17.8
721.41650	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	739.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.1
55.01870	31.7
55.05511	40.6
56.17577	3.0
56.28361	2.8
57.03437	22.6
57.07076	4.5
61.02921	20.9
64.04429	2.6
65.03925	4.5
67.05502	78.1
69.03423	21.6
69.07066	33.1
70.25862	14.5
71.01333	3.3
71.04989	8.6
73.02916	6.6
79.05491	89.8
81.03416	74.9
81.07053	98.1
83.04980	32.5
83.08611	36.2
85.02900	37.7
85.06533	6.5
87.04453	2.9
91.03951	7.7
91.05476	100.0
93.07040	77.2
95.04961	47.2
95.08608	36.2
97.02914	20.1
97.06534	55.2
97.10164	22.2
99.04443	3.9
99.19984	3.8
101.02342	3.3
103.05434	3.6
105.07027	82.5
107.04958	35.9
107.08588	61.1
109.02837	7.1
109.06486	19.3
109.10152	21.2
111.04441	4.9
111.08050	13.9
115.05485	4.7
117.06994	22.2
119.08580	64.3
121.06512	7.6
121.10151	24.4
123.08083	11.6
123.11707	11.0
125.09624	22.3
127.03896	7.1
129.07008	20.6
131.08565	44.2
133.06488	4.2
133.10126	39.1
135.08034	11.0
135.11699	12.1
137.09622	8.5
139.11276	3.8
141.06897	3.7
143.08510	6.3
145.06413	3.4
145.10114	29.4
147.08046	9.1
147.11682	32.5
149.09613	39.2
155.08607	5.7
157.10101	24.4
159.11679	15.8
161.09602	8.9
161.13231	7.2
163.11122	16.9
165.12724	4.9
169.10162	6.1
171.11734	3.0
173.11845	4.1
173.13210	7.2
175.11203	19.8
177.12776	5.6
179.14288	3.9
183.11763	5.6
185.13310	3.9
187.11218	3.8
189.11238	10.6
193.12241	48.2
195.13838	5.6
211.13243	67.1
215.14310	2.9
227.12769	38.9
229.19836	2.9
239.18015	3.5
245.13943	3.9
247.20573	5.5
253.14107	3.7
257.18961	12.7
262.13913	3.0
267.15894	26.6
269.17554	3.7
275.20059	92.1
285.16962	53.5
287.20502	3.2
291.19345	4.9
293.21063	8.8
349.23721	48.7
350.24057	3.7
363.21680	3.2
381.22766	5.7
437.25269	6.1
461.28799	3.3
463.30423	7.1
479.29819	7.2
541.35504	21.4
559.36407	37.4
577.37292	19.0
623.33942	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	739.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67352	0.2
53.03945	1.1
55.01870	1.2
55.05508	1.1
57.03431	0.3
65.03947	0.3
67.05489	0.9
69.03426	5.4
69.07062	0.2
71.58382	0.3
76.42832	0.2
77.03925	0.3
79.01855	4.2
79.05487	7.2
81.03426	1.6
81.07053	0.8
83.04975	0.2
83.08612	0.7
85.02898	0.9
91.05476	5.2
93.07035	6.4
95.04967	3.1
95.08591	0.5
97.02880	2.4
97.06548	0.4
98.97539	0.2
99.04441	0.3
103.05457	0.6
105.03382	0.4
105.04501	0.5
105.07024	0.3
107.01322	0.8
107.04953	0.4
107.08558	0.4
109.02858	1.1
109.06497	0.7
111.00787	0.2
111.04411	0.3
111.08075	1.2
115.05379	0.3
117.07034	0.3
119.08537	0.3
121.02859	0.5
121.06496	3.9
125.02337	3.4
127.03913	6.5
131.04944	0.5
131.08656	0.2
133.06540	0.3
135.08029	0.5
137.02357	0.4
137.05969	0.5
139.03937	0.3
139.07527	3.1
143.03386	6.2
145.04944	0.4
145.06467	0.4
147.04446	0.5
151.03886	0.3
151.07527	0.3
153.01820	100.0
154.02155	1.4
157.08655	0.3
159.04384	0.3
159.08047	0.3
163.03915	1.2
163.07506	0.4
165.01857	0.3
167.07014	0.3
171.02916	0.9
175.03964	0.3
175.07529	0.4
177.05435	0.4
179.03381	0.5
181.01299	0.2
181.08578	2.0
183.02867	0.3
187.07578	0.3
191.03384	1.8
193.04979	0.4
193.08629	0.2
195.02815	0.5
199.07643	0.2
201.09111	0.3
205.04951	0.7
207.02921	0.8
209.04497	0.5
213.05409	0.2
219.02864	0.5
219.10143	0.2
221.04407	0.3
229.08606	0.4
233.04424	0.9
237.03955	2.6
247.09702	0.6
249.03670	0.2
261.03860	0.9
265.10715	0.8
273.07635	0.5
279.04977	0.8
287.05487	17.8
287.67285	0.2
288.05771	0.5
297.06012	3.8
315.06995	0.7
329.06662	0.3
417.11743	0.5
435.13000	2.1
601.04291	0.2
739.37756	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.8
55.05508	9.9
55.06113	3.9
57.03435	6.3
57.91554	3.6
64.97385	3.8
67.05507	31.9
69.07061	8.7
75.88208	3.9
78.71915	4.3
79.05500	38.8
81.07050	32.9
83.04976	4.0
91.05477	26.3
93.07048	34.9
95.04980	11.4
95.08610	25.3
98.21603	7.3
105.07027	18.2
107.08587	15.4
109.10107	5.7
117.06976	5.2
119.08582	13.5
121.10143	11.7
129.07034	5.2
131.08615	5.5
131.12285	3.9
133.10149	8.3
135.08058	12.1
143.08528	5.0
147.11673	14.7
171.11720	12.2
189.12781	5.5
207.13736	11.1
281.17444	34.6
335.25775	47.1
541.38849	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69981	0.1
55.05521	0.2
56.05040	0.6
57.07070	0.3
58.06614	0.2
60.08164	5.7
62.29808	0.1
63.40187	0.1
67.05504	0.2
68.94595	0.1
69.07074	0.2
71.07373	3.4
71.08610	0.2
71.49849	0.3
78.28017	0.1
79.05486	0.3
81.03419	0.6
81.07071	0.3
81.07822	0.1
83.08593	0.2
84.08126	0.2
86.09705	29.5
87.10039	0.2
92.93444	0.2
93.07021	0.2
98.98464	3.1
104.10736	2.3
107.04906	0.1
125.00004	19.1
143.01065	0.5
147.95042	0.2
150.80371	0.2
184.07339	100.0
185.07704	0.6
193.12187	0.2
229.21257	0.1
257.38098	0.2
258.46396	0.2
267.15848	0.3
273.43140	0.2
313.27310	0.3
336.98355	0.1
496.33661	0.3
505.38812	0.3
688.45459	5.5
689.45502	0.3
711.74597	0.1
733.42566	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.5
55.01872	15.1
55.05265	3.0
55.05511	40.5
57.03442	21.9
57.07074	2.8
58.18194	2.1
59.05005	44.8
59.49345	2.5
59.63783	2.2
61.02920	7.3
65.03941	4.2
67.05505	100.0
68.05875	2.0
69.03418	9.1
69.07065	11.2
70.64165	2.7
70.64498	4.7
71.01328	2.3
71.04981	12.3
73.02899	3.7
79.05490	40.4
81.03419	29.5
81.07063	39.8
83.01353	11.7
83.04975	15.1
83.08619	24.7
85.02917	12.8
85.06539	5.4
87.04468	58.9
91.05472	28.4
93.07041	39.7
95.04956	20.0
95.08611	21.7
97.02881	9.0
97.06513	5.5
97.10178	15.3
97.60652	2.2
99.04440	15.2
103.11036	2.1
105.07035	21.0
107.04971	13.4
107.08592	25.3
109.06522	8.9
109.10156	69.5
111.04465	4.9
111.08076	7.6
117.07063	10.4
119.08588	17.7
120.08829	2.2
121.06508	6.0
121.10147	12.8
123.04472	2.5
123.08084	10.2
123.11672	2.4
125.09605	11.7
127.03938	2.5
129.06999	5.3
131.08588	7.1
133.10110	8.0
135.08012	3.7
135.11670	19.7
137.09630	4.8
145.06424	2.9
145.10117	20.5
147.11708	4.6
149.09644	2.9
153.01794	2.3
153.12703	3.6
155.10594	4.4
157.10133	3.3
163.11166	34.7
173.09564	5.0
173.11748	29.2
181.12199	6.9
191.10686	4.1
193.12242	5.2
199.13287	9.0
209.11659	13.5
211.13319	4.4
220.11652	2.2
227.12784	22.2
229.14359	62.8
241.14143	2.6
267.15933	13.2
283.15399	80.7
311.15033	5.0
315.17807	10.8
321.37546	2.3
378.62726	2.0
413.82214	2.6
425.25327	8.4
437.25351	98.4
438.25574	3.0
439.80643	2.3
459.27338	5.0
470.97888	2.6
477.28720	3.3
523.29297	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	738.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.5
55.01862	5.9
55.05307	1.6
55.05513	17.6
57.03436	12.6
61.02905	2.0
67.05502	19.6
69.03415	4.7
69.07059	6.7
71.04979	2.8
71.57970	2.9
71.60889	1.3
77.48643	1.3
79.05073	1.5
79.05497	21.2
81.03417	72.5
81.07050	25.0
83.04981	8.5
83.08619	22.8
85.02901	3.7
85.06532	2.8
91.04973	2.1
91.05489	29.3
93.07047	25.6
95.04969	22.7
95.08607	9.3
97.02898	7.3
97.06525	5.2
97.10168	8.6
99.00810	11.3
99.04430	2.2
99.08093	1.6
103.05479	1.7
105.07028	24.2
107.04947	11.3
107.08605	12.4
109.02888	8.9
109.06533	6.9
109.10124	7.3
111.04442	3.6
111.08047	8.8
115.03986	1.9
115.05465	2.1
117.07011	5.0
119.08570	18.5
121.06464	9.4
121.10130	8.8
123.04421	2.5
123.08053	3.8
123.11681	2.5
125.09679	7.1
126.78825	1.3
127.03919	3.1
128.06261	3.1
129.07001	5.5
131.04933	2.2
131.08562	11.2
133.06464	4.8
133.10136	28.3
135.08089	2.8
135.11708	4.5
137.05943	3.7
137.09647	2.4
139.07524	2.2
142.07790	1.9
143.08493	3.4
145.06473	2.7
145.10092	6.4
147.08051	4.4
147.11696	5.8
149.09616	7.0
151.11214	7.4
153.12863	2.0
157.10149	8.9
159.11734	1.8
161.09627	13.2
163.11183	7.2
165.12810	2.5
171.08054	4.4
175.11192	8.3
179.10655	6.9
189.09096	8.2
189.11198	5.8
191.10651	2.6
191.14357	1.6
193.12262	20.7
201.12619	1.6
207.10172	2.7
209.11748	6.0
211.13275	6.6
219.13794	8.1
223.13264	1.8
225.11205	7.3
227.12772	5.8
243.12334	1.9
259.13196	1.4
267.15912	100.0
281.13828	6.7
283.15482	10.9
285.16937	3.7
299.14871	69.8
300.15070	2.2
301.16718	3.3
303.05011	5.8
315.17950	1.9
367.22845	3.0
381.20392	2.5
385.23764	4.3
389.23276	2.1
399.21536	2.5
417.22876	1.9
437.25055	2.7
445.20441	1.8
445.25818	10.1
459.27399	20.0
463.26706	7.3
473.25427	26.5
477.28415	16.0
491.26367	94.1
492.26593	3.3
509.27386	6.6
533.27588	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71854	2.7
53.03931	10.6
55.01870	15.4
55.05267	3.6
55.05514	51.3
57.03183	2.7
57.03437	17.1
57.07078	4.4
61.02926	22.3
65.03922	7.7
67.05504	97.2
67.09339	3.4
69.03421	21.8
69.07069	23.7
69.27252	11.8
69.27673	22.7
71.01350	4.1
71.05000	21.7
73.02919	8.3
77.03963	3.6
79.05064	5.3
79.05493	66.5
81.03413	54.5
81.06581	5.9
81.07052	100.0
83.04977	22.6
83.08610	30.7
85.02907	30.4
85.06523	8.4
89.06047	3.8
89.22151	3.4
91.03938	14.2
91.05480	73.8
92.52882	3.1
93.07041	71.1
95.04973	24.5
95.08601	58.3
97.02891	28.1
97.06518	14.9
97.10152	24.6
99.04440	4.2
99.08085	3.8
101.74567	4.1
105.07024	61.6
107.04935	15.3
107.08594	43.4
108.08115	3.2
109.02876	7.0
109.06489	7.3
109.10137	30.6
111.04411	10.6
111.08083	12.7
115.05450	3.3
117.07028	34.5
119.08572	44.1
121.06490	11.3
121.10148	23.3
123.04338	3.8
123.08057	12.1
123.11679	9.4
125.09646	17.0
127.03909	11.0
128.06212	5.7
129.06985	22.6
130.07770	3.5
131.08560	47.8
133.06477	10.1
133.10129	39.8
135.08066	9.0
135.11681	14.9
137.05968	4.5
137.09619	9.0
141.06953	12.3
142.07788	5.0
142.37518	3.8
143.08571	25.4
145.06496	5.8
145.10104	31.0
147.08070	9.5
147.11681	18.6
149.09633	11.4
151.11154	7.4
153.12596	4.0
154.07822	3.7
155.08574	19.8
157.10095	26.0
159.08112	6.8
159.11690	26.1
161.09631	10.7
161.13228	7.2
163.11171	7.6
165.12743	4.3
167.08578	9.1
168.43895	3.4
169.10149	19.1
171.11700	19.6
173.09604	12.6
173.13274	13.4
175.11208	13.1
177.12704	4.5
178.68057	3.3
181.10109	7.9
183.11711	11.3
185.09673	3.6
185.13242	14.4
187.11229	4.7
187.14798	7.7
189.11215	9.0
189.12798	5.1
191.10570	3.2
193.10582	2.9
193.12279	13.4
195.11653	15.1
197.13306	7.0
199.11119	4.3
199.14894	5.3
209.13228	8.9
211.13203	22.0
221.13203	6.3
223.14827	6.3
225.16461	5.3
227.12700	14.8
227.17972	3.8
245.19092	3.8
247.14857	3.6
253.14336	5.1
255.17371	5.5
267.15900	9.8
273.18594	20.8
275.20102	6.4
283.20441	5.5
285.16812	6.9
289.19473	3.4
291.19568	24.2
297.21973	5.7
299.20172	4.2
299.23648	7.3
301.21625	6.5
311.20529	3.3
321.22092	3.7
347.22177	8.1
365.23260	16.3
391.25787	3.8
415.29962	4.9
421.25461	4.0
429.20834	3.8
433.31082	17.8
438.84161	3.4
443.28345	6.0
451.31961	14.9
469.33170	5.4
471.18173	3.6
507.34781	10.3
507.64102	4.0
517.35309	24.3
525.27563	4.3
525.35626	57.7
526.35767	3.6
543.36780	76.9
544.37482	3.2
549.37030	3.0
557.37640	13.9
575.39618	31.7
586.71564	3.2
589.48340	3.9
669.40155	3.9
679.40601	4.1
719.39978	9.0
737.45129	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	737.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.3
55.01874	22.8
55.05510	53.4
57.03432	17.6
57.07055	3.4
61.02921	10.5
65.03938	4.9
67.05504	90.4
69.03422	29.2
69.07075	28.8
71.04989	13.6
71.58222	5.3
71.58598	3.9
71.58961	3.6
79.05490	73.6
81.03416	84.7
81.07054	100.0
81.07526	7.1
83.04977	33.1
83.08623	33.4
85.02900	28.9
85.06509	9.5
87.04435	5.0
91.03950	4.0
91.05476	86.2
93.07047	65.8
95.04967	45.2
95.08606	47.9
97.02900	23.2
97.06516	24.7
97.10157	16.6
99.04456	8.9
105.07027	68.3
107.04962	30.4
107.08601	43.3
109.02872	14.0
109.06511	17.1
109.10149	27.7
111.04453	13.5
111.08073	10.9
115.05444	4.3
117.07005	23.7
119.08585	48.5
121.06504	17.5
121.10131	23.5
123.04431	5.7
123.08073	15.3
123.11735	9.3
125.09650	18.5
127.03908	15.7
128.06233	7.4
129.07008	18.9
131.08565	32.3
133.06497	13.3
133.10130	36.3
135.08046	13.4
135.11681	15.2
137.06046	3.9
137.09625	6.4
141.07036	4.0
142.07742	4.2
143.08522	11.4
145.06458	5.1
145.10147	26.1
147.08044	13.1
147.11694	20.6
149.09615	21.6
149.13284	5.1
151.11209	15.5
157.06519	3.9
157.10129	14.9
159.08020	7.6
159.11684	15.1
161.09639	10.7
161.13321	7.9
163.11191	20.7
165.12735	4.6
169.10184	5.2
171.11681	8.6
173.04599	5.2
173.09648	8.3
173.13260	6.3
175.11186	14.0
175.14937	4.1
179.49931	4.3
181.12228	5.2
183.11719	4.9
187.11118	4.7
189.09386	3.6
189.11163	12.5
189.12750	7.7
191.10622	5.3
193.12233	21.7
209.11743	7.4
211.13315	35.6
213.12828	5.0
219.39754	3.8
227.12747	21.0
229.14284	5.5
245.19081	5.4
253.14400	9.9
267.15991	20.9
273.18542	30.5
275.20071	44.3
283.15454	27.7
285.16919	15.4
288.06781	4.1
291.19556	43.1
293.20966	4.8
347.22064	12.5
349.23669	17.3
365.23340	21.7
429.21069	5.1
435.55466	3.7
437.24985	4.3
453.24792	4.2
483.30734	4.0
539.33673	4.1
557.35040	31.9
575.35828	28.9
607.30225	4.4
616.52313	4.1
719.39301	14.9
737.40479	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	737.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	13.3
55.01868	22.6
55.05511	45.5
57.03433	15.7
57.07062	7.3
59.05008	3.7
65.03926	9.2
67.05500	100.0
69.03427	28.7
69.07054	35.0
69.90189	2.6
71.01373	4.5
71.04990	14.3
73.02911	6.3
79.05488	75.7
81.03416	87.8
81.07053	87.3
83.04983	23.8
83.08614	24.5
85.02901	27.5
85.06535	6.9
87.71293	2.6
91.05474	79.6
92.05791	2.9
93.07034	55.7
95.04967	46.7
95.08602	46.1
97.02888	27.8
97.06519	26.4
97.10152	11.8
98.20750	4.5
99.04435	7.2
100.39606	2.9
103.05476	5.2
105.07018	49.6
107.04279	4.2
107.04935	24.8
107.08588	33.5
109.02874	20.5
109.06510	14.0
109.10155	31.1
111.04427	11.3
111.08080	13.8
112.40948	3.1
115.05424	5.1
117.06984	19.9
119.04977	2.9
119.08572	34.8
121.06490	7.7
121.10137	23.0
123.04455	3.7
123.08086	17.5
123.11717	5.3
125.09620	11.2
127.03907	15.2
127.07585	3.7
129.05486	3.7
129.06958	15.0
131.08562	29.3
133.06479	10.5
133.10121	28.5
135.08049	8.2
135.11658	9.8
137.05966	3.4
137.09578	8.1
140.10614	2.9
141.06987	4.1
142.07771	3.8
143.07115	2.5
143.08565	12.3
145.06520	6.6
145.10098	16.7
147.08023	11.2
147.11662	19.5
149.09607	16.5
149.13271	7.4
151.07471	3.2
151.11124	5.0
155.08530	6.7
155.10715	3.2
157.10152	20.4
159.11690	10.7
161.09595	7.0
161.13264	4.1
163.11171	11.1
165.09152	3.1
165.12738	5.5
169.10107	4.2
171.11681	5.1
173.04434	8.3
173.09641	4.9
173.11765	5.6
173.13188	7.4
175.11160	17.2
177.12782	6.9
181.12286	5.6
187.11243	4.9
189.11192	5.4
189.12761	4.7
193.12233	31.8
197.09825	3.2
199.11188	5.0
211.13235	44.0
227.12801	10.3
229.14313	12.0
263.20105	4.8
267.15842	16.0
273.18488	20.1
275.20035	17.9
281.13858	5.0
283.15167	5.6
285.16864	14.0
291.19452	25.4
309.20398	3.3
319.15240	3.2
347.22144	8.2
349.23764	5.8
365.23242	11.8
421.25674	6.2
429.20953	5.3
439.26575	6.4
453.28604	5.7
539.33417	5.1
557.34625	19.2
575.35339	17.5
719.39270	8.0
720.40265	3.7
737.40637	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	737.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38715	4.5
53.03949	16.0
55.01875	21.6
55.05508	46.7
57.03429	32.2
59.05004	9.1
61.02920	13.5
63.83293	3.9
65.03924	8.7
67.05500	99.3
69.03426	36.5
69.07063	37.3
71.04971	24.9
71.58266	4.2
73.02935	6.2
76.45174	4.0
79.05492	70.6
81.03417	100.0
81.07056	93.3
83.01336	4.6
83.04979	42.4
83.08601	30.2
85.02907	27.7
85.06532	10.1
87.04464	6.9
91.05474	78.0
93.07038	72.8
95.04968	53.3
95.08602	41.3
97.02901	25.6
97.06528	31.0
97.10172	19.6
99.04446	9.8
99.08109	32.4
99.44600	4.0
103.05479	5.0
103.16296	4.1
105.07031	60.0
107.04944	35.8
107.08579	49.1
109.02896	22.3
109.06514	26.1
109.10174	33.8
111.04431	22.0
111.08058	16.9
113.06036	6.4
115.07573	10.6
117.07036	26.6
119.08593	57.6
120.46107	4.1
121.06503	19.0
121.10129	33.0
123.08055	16.7
123.11750	7.3
125.09641	15.4
127.03854	21.9
127.07523	8.9
128.06210	4.4
129.05469	12.9
129.06979	24.8
131.08578	47.9
133.06517	9.4
133.10127	26.8
135.08047	18.4
135.11708	19.0
137.05937	4.1
137.09621	12.0
139.11246	4.5
141.06996	6.9
142.07780	8.6
143.08562	13.9
145.06490	14.4
145.10127	35.1
147.08076	14.8
147.11671	16.5
149.09669	21.7
151.07542	4.9
151.11183	8.3
153.01726	7.9
153.12758	9.0
155.08549	8.3
157.10153	18.9
159.08026	10.5
159.11682	11.6
161.09570	5.5
163.11182	21.5
166.33925	4.4
169.10104	8.6
171.08032	6.0
171.11700	12.6
173.04492	9.0
173.09637	9.1
173.13295	9.6
175.11183	22.4
177.12753	4.7
181.12267	9.3
183.11810	6.3
185.09654	4.2
185.13242	10.8
189.11302	9.5
191.10695	5.4
193.12233	33.8
195.11606	4.5
197.13194	5.9
209.11656	5.8
211.13225	43.8
211.14978	5.0
217.15935	9.1
221.15329	14.9
222.15834	6.9
227.12657	20.6
229.14346	7.7
239.16307	6.4
267.15845	22.0
269.17691	4.5
273.18518	29.3
275.20062	19.0
283.15363	19.5
285.16928	18.7
291.19604	38.7
301.16409	13.3
347.22086	15.1
349.24026	7.1
365.23227	15.6
365.81131	4.3
437.25159	6.8
465.29922	6.2
483.31366	7.1
494.28134	4.5
539.33624	7.8
557.34491	29.8
567.16327	4.7
575.35999	30.3
701.38684	6.1
719.39056	14.8
737.40869	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11451	4.4
53.03939	12.9
55.01863	11.5
55.05512	32.7
57.03425	18.4
67.05505	65.1
69.03411	16.9
69.07051	16.8
71.04988	12.5
71.58297	8.3
79.05484	54.0
80.69891	4.5
81.03415	100.0
81.07061	59.8
83.04970	18.0
83.08608	27.0
83.90823	4.2
84.27115	5.0
85.02892	21.2
88.54099	4.9
91.05471	54.4
93.07044	40.9
95.04949	47.2
95.08602	23.1
97.02869	18.6
97.06526	12.1
97.10137	13.7
99.08121	5.3
105.07024	37.3
107.04951	25.0
107.08611	24.3
109.02860	12.1
109.06504	11.6
109.10144	28.8
111.04427	10.6
111.08119	12.1
117.07008	19.2
118.97578	4.6
119.08584	40.1
121.06496	14.2
121.10162	18.1
123.08021	7.7
127.03941	5.3
128.81871	4.5
129.06987	14.1
131.04895	13.3
131.08578	23.0
133.10092	13.3
135.08075	6.0
135.11690	19.1
137.05974	11.9
141.06979	8.5
143.08481	5.3
145.06409	6.4
145.10126	20.4
147.11674	18.2
149.09637	12.9
151.07539	6.6
153.01894	5.5
153.12762	8.1
155.08441	5.1
157.10098	17.1
159.11714	5.3
163.11205	15.9
173.09628	7.2
173.11761	8.0
175.11203	12.6
193.12238	30.8
197.05977	20.1
204.21330	5.1
209.11739	7.2
211.13295	27.3
223.13255	12.4
227.12741	16.8
229.14308	46.0
247.13217	6.5
261.14825	5.4
267.15860	64.1
283.15375	19.0
285.16980	14.9
297.16913	11.1
314.75467	5.2
326.76419	4.9
331.15323	7.3
411.45432	4.9
421.25958	36.1
427.19498	13.2
471.27420	10.8
475.26746	17.4
489.28513	29.0
493.27902	69.1
494.28323	8.7
507.29227	10.2
637.31787	13.1
662.08643	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	734.496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	0.6
57.07048	0.4
60.07882	0.4
60.08158	5.7
62.85961	0.3
66.55309	0.3
71.07366	3.3
74.44414	0.3
76.73663	0.3
77.72449	0.3
81.03345	0.4
81.07045	0.4
86.09701	29.2
87.10042	0.4
98.98462	3.3
104.10738	1.9
121.02069	0.3
124.99992	20.3
135.34836	0.4
148.34749	0.4
184.07330	100.0
185.07605	0.6
230.42979	0.5
332.87009	0.4
502.58444	0.4
512.41852	0.3
646.13519	0.4
734.49805	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	735.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	29.3
55.01858	26.6
55.05511	67.5
57.03427	21.8
65.03931	9.0
65.44968	6.5
67.05502	100.0
69.03425	54.5
69.07056	38.1
69.60412	55.8
71.01316	9.0
71.04988	17.2
79.05483	83.6
81.03410	93.8
81.07050	91.7
83.04972	43.8
83.08588	33.9
85.02891	29.8
91.05476	88.9
93.07047	69.8
95.04959	44.1
95.08605	45.9
97.02894	32.7
97.06510	17.3
97.10165	29.8
98.21445	13.2
99.04435	11.5
105.07018	74.7
105.27312	7.3
107.04956	37.4
107.08607	45.2
109.02858	27.5
109.06512	20.8
109.09488	6.8
109.10136	42.5
110.21959	6.3
111.04404	21.8
111.08047	14.4
115.05512	7.0
117.06989	30.5
119.04923	7.5
119.08586	45.8
121.06500	12.2
121.10130	27.8
123.08066	21.5
125.09615	23.1
127.03906	21.6
128.06163	10.5
129.06961	18.9
131.08553	27.5
133.06445	12.8
133.10118	28.3
133.45456	7.3
135.08038	16.5
135.11685	20.8
137.09578	15.2
141.06981	8.9
143.08533	16.8
145.10092	43.3
147.02138	6.9
147.07996	16.8
147.11674	19.8
149.09596	19.3
151.11111	11.9
153.12761	9.9
155.08499	8.0
157.10129	12.9
159.08011	7.6
159.11716	10.1
161.09676	8.7
163.07591	7.6
163.11235	36.4
173.04454	13.5
173.09663	10.7
175.11076	9.2
181.12233	17.1
189.11185	18.3
191.10655	19.0
193.12173	16.1
209.11639	10.4
211.13287	10.2
223.13182	19.8
227.12830	48.4
267.15948	8.7
273.18539	40.6
283.15445	48.2
291.19507	87.6
315.19305	8.3
317.21530	8.1
347.22403	7.1
353.15939	6.4
365.23077	20.5
427.19547	10.2
435.23230	8.3
555.32764	10.6
573.33771	33.7
598.06378	7.0
637.31372	10.1
643.89166	7.6
717.37793	27.3
735.38623	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.6
56.69184	0.2
57.07078	0.3
58.06627	0.5
60.08160	5.8
67.05499	0.5
71.07375	3.6
71.58393	0.3
71.58769	0.2
80.97429	0.2
81.07043	0.4
82.51978	0.2
86.09703	28.7
89.06033	0.9
91.05478	0.2
93.07082	0.3
95.08594	0.3
98.98461	3.0
104.10732	2.1
124.41530	0.2
125.00002	20.0
133.08595	0.3
134.98189	0.2
143.01053	0.5
147.19084	0.2
148.28110	0.2
154.76323	0.2
184.07333	100.0
185.07695	0.5
347.12695	0.2
468.23022	0.3
732.48242	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	732.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	0.8
60.07888	0.3
60.08159	6.2
63.07490	0.3
65.96488	0.3
67.05487	0.9
71.07371	3.2
81.03375	0.4
81.07045	0.7
84.04484	0.4
86.09699	31.5
98.98454	4.4
100.85852	0.3
104.10740	2.9
105.07001	0.3
117.84943	0.3
121.10090	0.3
124.99992	20.2
143.01038	0.5
151.66106	0.3
184.07326	100.0
185.07678	0.6
276.36258	0.3
278.25876	0.3
732.48096	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	733.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01877	1.7
55.05516	3.7
57.07073	4.1
60.86428	1.4
61.02923	4.3
67.05508	9.2
69.03439	3.1
69.07066	4.0
71.08629	3.0
71.59032	3.7
73.02908	4.6
79.05489	5.7
81.03406	5.2
81.07047	10.4
83.04982	1.6
83.08646	2.6
85.02911	4.8
87.04457	5.8
89.06020	16.9
91.05487	6.1
93.07045	7.3
95.04976	4.3
95.08605	4.5
97.02895	4.4
97.10159	2.0
99.04487	3.0
105.07052	4.1
106.28322	1.6
107.08592	4.7
109.06516	1.8
109.10184	2.7
111.03688	1.4
117.07005	2.4
119.08585	2.4
127.03939	2.4
131.08578	2.4
133.08612	11.4
135.11667	2.9
145.10153	2.6
147.11784	1.8
177.11209	2.3
184.07390	1.8
202.80586	1.4
223.13245	1.8
227.12639	1.7
227.20062	41.5
228.20453	6.0
243.08429	2.5
243.12029	1.8
259.20755	1.8
301.09061	2.3
301.55865	1.4
439.19461	8.9
535.28857	4.5
571.36249	2.3
600.97235	2.0
733.41278	100.0
734.41132	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	731.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	2.4
57.07072	2.4
59.06136	2.6
61.02922	4.2
67.05509	7.0
69.07060	3.1
70.82703	8.1
73.02911	3.0
79.05500	4.8
81.03402	3.5
81.07038	5.1
83.50226	2.3
85.02908	6.3
91.05489	4.9
93.07044	7.0
95.08618	5.5
97.02888	4.3
107.08639	4.6
111.08090	2.7
122.30850	2.7
168.89809	2.7
169.28918	2.6
171.52422	2.8
172.19832	2.3
184.07396	4.4
223.06609	2.7
255.57344	2.2
390.78662	3.7
453.21219	7.6
519.29364	5.3
731.43414	100.0
732.43378	4.4
748.43250	2.9
762.60370	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	731.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.8
55.05493	0.8
57.03427	1.4
61.02925	5.2
67.05505	5.6
69.03419	3.0
69.07054	2.0
69.90170	3.6
71.04997	0.7
71.73930	0.8
72.46781	0.6
73.02902	3.0
79.05489	3.7
81.03413	1.5
81.07046	6.3
83.08618	0.9
85.02895	4.5
87.04434	0.7
87.36147	0.8
91.03954	2.6
91.05476	1.7
93.07034	5.1
95.04992	0.8
95.08598	2.6
95.32590	0.6
97.02898	4.0
97.06502	0.7
98.21487	1.1
99.04462	0.8
101.02367	2.0
102.57252	0.7
103.03993	0.9
105.07039	0.9
107.08583	2.0
109.02871	0.6
119.08574	0.9
121.10163	1.8
127.03920	1.4
130.59053	0.7
131.08597	0.9
135.11700	0.8
149.13284	1.8
159.11656	0.8
235.13098	0.9
243.08495	1.8
423.36496	0.7
453.21066	8.4
519.29266	5.7
731.43372	100.0
732.43945	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	729.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.7
57.03417	2.0
57.91270	0.6
59.04993	0.6
60.53352	0.5
61.02923	6.6
67.05508	3.0
67.56936	0.6
69.03413	2.2
69.07061	0.7
71.04976	1.1
73.02900	3.4
77.06535	0.6
77.57349	0.5
79.05486	3.0
79.89162	0.6
81.07468	0.6
83.04981	1.1
83.08620	1.8
85.02895	5.6
86.71043	0.6
91.03942	2.5
91.05466	4.3
93.07034	2.5
95.04970	2.9
95.08602	1.9
97.02872	3.4
97.06509	0.7
98.20770	1.3
99.04459	1.2
101.02374	1.2
105.07027	2.5
106.69614	0.5
107.04968	1.0
107.08607	1.8
109.02910	0.9
119.08578	2.0
121.10140	1.7
127.03896	1.4
127.31778	0.5
128.73090	0.5
129.07054	0.7
131.08597	1.8
133.10150	1.6
135.63058	0.6
145.65184	0.6
147.11662	1.4
149.09653	1.8
157.10127	1.8
163.11147	0.7
164.84859	0.5
175.11154	1.2
180.21509	0.8
193.12259	2.5
205.03650	0.6
225.14812	0.7
243.08430	2.7
251.12563	0.9
267.15988	0.5
283.15216	4.0
307.15057	0.7
418.06076	0.7
436.36176	0.6
469.20438	10.6
501.22980	8.7
551.99951	0.7
729.36597	100.0
730.36957	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.8
58.06634	0.5
59.67551	0.1
59.74191	0.1
60.08164	6.0
67.05511	0.3
70.06618	0.2
71.07376	3.2
79.05514	0.2
81.07066	0.2
85.02866	0.2
86.09705	28.9
87.10065	0.3
91.05442	0.1
95.57925	0.1
98.21614	0.3
98.98460	3.0
104.10747	2.0
125.00003	18.2
143.01039	0.4
154.08047	0.1
184.07338	100.0
185.07660	0.9
190.70215	0.2
301.79773	0.1
434.23267	0.2
436.43073	0.2
445.06625	0.2
468.23407	0.1
592.92157	0.1
730.46460	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30087	0.2
53.52758	0.2
56.05028	0.4
57.03429	0.2
58.06364	0.2
58.06624	0.4
58.71997	0.2
59.91293	0.2
60.08161	6.3
66.13345	0.1
67.05493	0.9
69.07066	0.3
69.45210	0.2
71.03465	0.5
71.05021	0.2
71.07374	3.6
79.05492	0.6
80.42378	0.2
81.03399	0.2
81.07042	0.8
83.04961	0.2
86.09702	32.2
87.17534	0.2
91.05482	0.5
93.07035	0.6
95.04976	0.2
95.08594	0.5
98.98457	3.4
99.79095	0.2
104.10740	2.5
105.07050	0.3
107.08567	0.3
109.10141	0.5
116.99467	0.2
119.08602	0.3
125.00001	21.8
135.11694	0.2
143.01006	0.6
147.11739	0.2
169.73300	0.2
184.07330	100.0
185.07684	1.0
273.17029	0.2
335.25754	0.3
428.42206	0.2
489.35437	0.5
520.33734	0.3
533.38263	0.4
725.03619	0.2
730.46411	3.2
731.46991	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01871	3.7
55.05510	8.2
56.31446	1.3
57.03430	5.2
63.30380	1.1
65.03934	2.5
67.05503	41.2
69.03424	3.1
69.07068	11.3
70.35406	5.8
71.04996	5.0
71.70697	1.3
74.89379	1.2
79.05492	17.7
81.03420	3.6
81.07057	42.1
83.04988	6.0
83.08628	2.3
85.06549	5.2
86.09701	2.1
91.05470	30.2
93.07046	25.4
95.04958	8.4
95.08602	15.3
97.02898	1.8
105.07032	22.6
107.08595	26.9
109.06516	4.1
109.10154	39.0
117.07053	2.7
119.08577	4.2
121.10146	6.2
123.11708	8.8
127.07568	1.8
131.08562	4.0
133.10124	45.7
133.11089	2.8
135.11717	5.0
137.09642	1.5
143.08565	1.8
145.10129	3.1
147.11681	2.6
149.13280	2.5
151.11180	22.8
159.11665	2.5
169.12231	3.9
173.13295	2.2
184.07309	6.8
194.18526	1.4
198.17647	1.3
215.12715	2.3
243.21117	2.7
253.14348	100.0
261.22177	11.4
271.15399	31.4
335.25827	29.4
439.31931	2.7
513.35699	6.4
531.36816	29.7
539.46844	1.5
569.44086	1.5
571.89349	1.5
642.06879	1.6
699.42371	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	14.9
60.08151	9.0
67.05506	54.4
69.07055	15.3
71.07353	5.5
72.80055	3.7
75.85896	4.2
79.05498	52.0
79.67110	4.6
81.03400	8.9
81.07061	36.8
82.74078	3.9
83.04977	4.1
83.08598	11.4
85.02908	4.9
86.09721	34.9
91.05467	44.7
93.07034	58.7
95.04933	6.7
95.08579	19.5
97.06512	9.6
97.10148	8.1
98.20693	9.6
98.84251	3.9
99.08081	5.7
105.07024	48.6
107.08611	31.8
109.10143	11.1
117.07001	17.0
119.08566	42.0
121.10154	14.4
125.00014	25.3
129.06923	7.5
131.08572	14.3
133.10126	30.2
135.11699	33.8
143.08600	5.0
145.10115	13.2
147.11679	26.1
157.10164	10.0
159.11674	10.3
161.13213	14.2
163.11151	7.5
171.11626	7.3
175.14793	9.6
181.12274	7.5
184.07347	100.0
185.07794	4.0
185.13263	6.1
199.14816	5.7
230.04362	4.0
241.19524	16.9
251.17914	3.8
253.14412	7.4
255.15904	41.5
259.20569	47.0
300.28305	4.6
332.10825	4.4
333.24066	20.9
374.26617	4.8
408.73517	4.7
513.35492	35.3
531.36566	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	728.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15126	1.0
53.03933	2.4
54.10102	1.0
55.01862	3.9
55.05515	7.6
56.62263	1.1
57.03438	6.6
61.02917	1.8
61.05839	1.1
65.03911	1.2
67.05502	41.2
69.03432	2.8
69.07061	11.2
70.34718	4.2
71.04992	3.2
79.05066	1.9
79.05489	23.7
80.16447	1.1
81.03432	1.4
81.07056	34.9
82.14373	1.2
83.04540	1.3
83.04948	6.1
83.08611	4.1
85.02888	2.3
85.06534	4.5
86.09702	4.7
91.05478	30.2
93.07040	27.3
95.04962	5.9
95.08604	16.5
97.02919	1.5
97.06542	2.5
97.10183	1.6
101.18076	1.5
103.05466	1.2
105.07030	23.3
107.08598	23.3
109.06505	4.2
109.10153	42.7
111.08049	1.2
113.05993	1.5
117.07031	2.0
119.08585	4.8
121.10170	7.0
123.11720	7.2
125.00011	1.5
127.07577	2.3
131.08554	5.1
133.10127	46.5
135.11703	5.6
143.08563	2.0
145.10092	3.8
146.49205	1.3
147.11617	1.5
149.13229	3.1
151.11180	25.7
159.11650	2.2
161.13170	1.7
163.14786	1.6
169.12207	4.8
173.13263	3.6
179.10733	2.7
184.07297	11.1
215.12718	2.0
221.43477	1.3
226.46881	1.2
243.21077	2.1
253.14352	100.0
254.14626	1.7
261.22110	10.7
271.15396	27.7
317.24677	2.7
319.10226	1.3
335.25784	49.3
336.26324	1.4
439.32040	2.1
453.44745	1.5
503.36472	1.2
513.35870	8.4
531.36792	49.6
545.37726	2.2
669.37732	1.7
728.44128	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72281	1.5
55.05264	1.5
55.05506	7.1
57.03431	4.5
60.08168	5.1
61.02899	1.7
63.09509	1.4
67.05511	19.7
69.07054	5.3
71.04994	2.4
71.07362	3.6
71.58793	2.9
79.05492	22.3
81.03415	11.8
81.07056	18.6
83.04962	4.1
83.08617	6.0
85.02910	5.6
86.09696	31.4
91.05477	13.6
93.07041	13.8
95.04945	8.2
95.08609	13.0
96.42647	1.4
98.98490	2.5
104.10738	1.8
105.07030	8.3
107.08578	12.3
109.06519	2.3
109.10142	3.2
110.28606	1.5
117.06998	2.4
119.08597	6.5
120.11471	1.6
121.10165	8.6
123.08073	2.0
123.11714	2.4
125.00014	21.0
131.08549	5.9
133.10132	6.0
135.11726	4.1
147.11676	6.2
149.09654	1.9
149.13303	2.5
157.10123	3.4
175.11145	2.4
184.07336	100.0
185.07703	1.6
193.12244	11.4
204.16199	1.8
211.13310	20.2
253.14273	3.9
267.15930	5.2
271.15451	2.3
285.16843	14.1
292.32462	1.7
321.24249	29.1
335.25650	4.4
513.35681	4.5
531.28674	1.9
531.36755	34.6
571.18256	2.0
728.44312	2.4
731.35663	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28581	0.2
52.98050	0.2
55.05515	0.3
56.05036	0.5
56.39224	0.2
58.06606	0.4
60.07879	0.4
60.08165	6.2
64.40260	0.2
67.05493	0.9
71.07371	3.2
71.58295	0.3
79.05476	0.4
81.07048	0.6
86.09705	29.9
87.09992	0.2
91.05486	0.3
93.06992	0.3
95.08611	0.3
98.98453	3.6
104.10750	2.0
105.07043	0.6
107.08598	0.2
125.00002	20.9
133.10138	0.3
141.22464	0.2
143.01079	0.5
166.02562	0.3
184.07335	100.0
185.07657	0.7
271.15390	0.6
292.32343	0.3
335.25677	0.6
395.69043	0.3
531.36865	0.3
728.45007	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82395	0.2
55.05504	0.2
56.05043	0.5
56.47869	0.1
58.06359	0.3
58.06621	0.5
60.08162	6.1
67.05510	0.6
69.07071	0.2
71.07368	3.2
79.05480	0.4
81.07055	0.5
86.09702	30.9
91.05478	0.3
93.07045	0.4
95.08632	0.3
98.21545	0.3
98.98463	3.6
104.10749	2.1
116.70847	0.1
119.08620	0.2
120.01585	0.2
125.00002	20.8
127.41419	0.2
143.01036	0.4
166.02531	0.2
177.63763	0.2
184.07336	100.0
185.07661	0.3
186.88199	0.2
335.25546	0.3
728.45056	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	728.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71047	0.9
53.03934	2.1
54.77214	1.0
55.05511	10.0
55.86797	0.9
56.05041	1.2
57.03436	8.0
60.08155	6.1
61.02913	2.9
63.99332	0.9
67.05502	26.1
67.97666	1.1
69.03410	3.6
69.07069	5.2
71.04981	2.8
71.07361	3.1
71.57366	1.7
79.05015	1.1
79.05490	21.5
81.03413	24.3
81.07048	30.3
81.07523	1.5
83.04981	6.2
83.08602	8.9
85.02905	11.2
85.06551	1.1
86.09702	31.7
91.05481	22.7
93.07037	18.4
95.04960	12.2
95.08603	16.1
97.02916	1.4
97.06506	2.4
97.10172	2.3
98.98458	4.8
104.10708	1.7
105.07019	13.7
107.04943	2.7
107.08590	11.5
109.06497	2.1
109.10139	5.9
111.04446	1.2
111.08081	4.4
117.06985	1.9
119.08559	11.0
121.06482	1.1
121.10137	9.1
123.08035	2.2
123.11683	2.0
125.00009	17.3
129.06984	5.1
131.08546	6.8
133.10110	11.2
135.11667	3.3
137.09604	1.6
140.67850	1.0
143.08589	0.9
145.10129	3.7
147.08011	1.2
147.11687	8.0
149.09619	3.3
149.12123	1.0
149.13243	2.3
151.11131	1.1
157.10129	7.4
159.11679	2.1
165.12773	1.5
173.13171	1.0
175.11180	6.7
184.07327	100.0
185.07668	2.6
193.12218	19.5
211.13275	29.7
219.93405	1.0
229.19727	1.4
247.20535	4.1
267.15930	5.8
271.15469	1.9
285.16940	29.4
321.24213	26.8
321.27975	1.1
335.25836	2.0
430.35336	1.0
513.35468	3.3
531.36804	37.6
650.28314	1.1
728.44208	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	728.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05006	0.7
58.06585	0.5
60.08167	5.9
63.87024	0.4
67.05492	1.3
71.07362	3.6
72.27924	0.4
77.05129	0.4
79.05482	0.6
81.07045	1.3
83.08552	0.4
86.09702	33.0
91.05473	1.0
93.07035	0.7
95.04955	0.8
95.08598	0.9
98.98453	3.3
104.10718	2.2
107.08587	0.5
109.10091	0.4
124.99998	20.9
133.10149	0.5
143.01083	0.5
184.07332	100.0
206.85649	0.4
215.91592	0.4
242.30150	0.4
335.25882	0.5
531.36816	0.7
728.41980	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	728.449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.8
58.06642	0.5
59.43679	0.2
59.86747	0.2
60.08162	6.4
67.05506	0.4
68.13185	0.2
69.31310	1.6
69.31717	0.2
71.07372	4.1
79.05489	0.3
81.07043	0.4
85.55430	0.2
86.09703	32.2
93.06989	0.3
95.08631	0.2
97.27821	0.2
98.21568	0.3
98.98457	3.3
102.19247	0.2
104.10748	2.5
105.07032	0.3
124.99999	20.8
143.01089	0.4
184.07333	100.0
185.07693	0.5
366.48831	0.2
377.13614	0.2
728.33240	0.2
728.44928	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	728.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73242	0.1
56.05030	0.7
58.06352	0.1
58.06616	0.3
60.08160	6.2
61.44746	0.1
67.05493	0.3
70.01189	0.5
71.07372	3.7
72.08161	0.1
79.05514	0.2
81.07068	0.2
86.09704	31.8
87.10007	0.2
93.07037	0.1
98.98465	3.7
103.34406	0.1
104.10748	2.3
105.07050	0.1
121.10055	0.1
125.00002	20.5
132.57819	0.1
143.01047	0.4
160.22357	0.1
166.02629	0.2
184.07336	100.0
185.07703	0.6
187.88748	0.1
281.98730	0.1
299.30243	0.1
305.48950	0.1
312.04559	0.1
518.32312	0.2
542.99445	0.1
646.94537	0.1
728.44934	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	727.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
55.01862	0.9
55.05503	1.5
56.09251	0.6
57.03437	2.7
58.73246	0.5
59.04991	0.8
61.02925	4.2
62.36407	0.5
67.05505	4.6
69.03432	3.8
69.07069	1.3
69.43526	5.0
71.04990	2.5
72.17710	0.6
73.02924	3.0
79.05480	3.9
81.03417	6.1
81.07055	4.3
82.80495	0.5
83.01342	0.7
83.04980	1.1
83.08619	2.0
85.02908	5.8
85.06533	0.6
85.40822	0.5
86.09708	2.2
87.04475	0.7
91.03979	2.7
91.05495	4.6
93.07034	4.5
95.04964	3.3
95.08607	1.9
97.02881	4.9
97.06550	0.7
97.10112	0.6
98.21471	1.2
99.04449	1.6
101.02369	1.6
103.03958	0.6
105.07035	2.9
107.04922	1.3
107.08598	2.5
109.02879	1.2
109.06532	1.2
109.10142	1.7
111.04459	0.7
117.07034	1.0
119.08572	1.8
121.06535	1.2
121.10160	2.0
125.00030	1.4
127.03946	1.6
129.06979	1.4
131.08551	1.7
133.10146	2.1
133.50223	0.5
135.08179	0.7
135.11673	1.4
137.05988	1.1
137.09650	0.7
145.10141	2.0
147.11719	1.4
149.09621	3.0
149.13214	0.6
157.10158	1.4
163.11243	2.1
175.11198	1.3
184.07355	5.1
185.04361	0.6
185.07695	1.1
187.62695	0.5
193.12218	1.6
203.05295	0.6
211.13353	1.0
212.33340	0.6
243.08452	3.4
267.15997	1.3
283.15201	2.8
339.17725	0.9
339.24304	0.7
339.84653	0.6
340.86121	0.6
447.27359	1.0
448.27594	2.9
449.49350	0.7
467.18896	8.7
501.23050	9.2
547.85968	0.6
565.31006	1.1
727.35065	100.0
728.35339	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	726.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
54.31515	1.7
55.05513	9.5
57.03439	15.6
57.07069	2.5
61.02923	5.8
65.03933	2.6
67.05502	62.2
69.07072	18.8
69.24707	21.5
71.04997	4.8
74.83977	1.8
79.05484	41.7
79.27030	1.9
81.03423	3.1
81.07049	71.4
83.04980	6.6
83.08624	13.1
84.66758	2.1
85.02945	2.6
85.06530	2.3
91.05476	24.0
93.07036	61.8
95.04969	3.7
95.08607	31.2
97.06542	7.7
97.10134	2.9
99.08060	2.9
105.07034	10.4
107.08578	27.3
109.10167	11.3
111.08073	5.8
111.11735	2.7
117.07030	9.4
119.08592	8.0
121.10135	24.9
123.11687	5.8
131.08580	12.9
133.10133	10.1
135.11691	12.1
139.74524	1.8
145.10115	2.7
147.11673	4.2
149.13257	23.1
159.11700	11.5
161.13284	3.1
163.14977	2.3
173.13365	2.3
177.12778	7.1
180.85931	2.0
195.13805	9.9
243.21056	3.7
261.22128	11.2
269.17465	100.0
270.17908	3.8
335.25784	62.6
336.26196	3.2
437.34262	3.0
503.29959	2.2
529.38873	90.6
530.39099	6.7
547.39899	2.4
571.51105	2.2
596.69110	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.3
56.05035	0.8
57.07072	0.3
58.06611	0.4
60.08160	6.0
60.35600	0.2
62.17785	0.2
67.05502	0.3
69.03445	0.2
69.40163	1.9
70.02866	0.2
70.06578	0.2
71.06982	0.3
71.07365	4.1
71.23631	0.2
79.05491	0.5
81.07056	0.6
86.09701	31.5
87.10025	0.2
91.05460	0.4
95.08604	0.3
98.98457	3.4
98.99047	0.3
104.10739	2.0
105.96923	0.2
107.08645	0.2
124.99996	20.3
133.25406	0.2
143.01025	0.6
162.95921	0.2
184.07327	100.0
185.07649	0.6
227.20010	1.5
228.20393	0.8
247.02213	0.2
466.22388	0.2
658.06635	0.2
726.43457	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78142	0.2
55.05513	0.3
56.05024	0.7
58.06623	0.4
59.07413	0.2
60.08163	6.1
67.05505	0.5
71.03625	0.5
71.07375	3.7
79.05506	0.5
81.07082	0.4
86.09706	32.9
87.10030	0.4
91.05473	0.4
93.07030	0.4
95.04993	0.2
95.08593	0.5
98.98475	3.4
104.10738	2.4
105.07030	0.3
107.08575	0.2
109.10172	0.2
110.00340	0.2
125.00006	22.1
143.01036	0.7
166.02571	0.2
174.71529	0.2
184.07339	100.0
185.07765	1.2
186.07912	0.4
193.36093	0.2
232.57896	0.2
250.55313	0.2
358.78168	0.2
397.65939	0.2
690.45154	0.2
710.09137	0.2
726.43408	2.3
727.44238	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.2
55.01851	3.0
55.05508	22.9
57.03435	16.4
57.07066	2.3
58.65180	1.5
61.02911	6.1
62.27711	1.2
65.03928	4.6
67.05504	88.7
68.05831	2.3
69.07064	24.0
69.51662	5.6
69.52088	5.2
71.04981	5.6
71.08626	1.3
73.02888	1.9
79.05492	53.7
81.03404	3.5
81.07057	100.0
82.07408	1.6
83.04980	5.0
83.08617	16.0
85.02905	6.5
85.06525	3.4
85.46008	1.3
87.95013	1.3
91.03939	2.4
91.05479	39.1
93.07042	69.0
95.04960	9.8
95.08607	50.7
97.02879	3.7
97.06541	9.0
97.10168	3.5
99.08070	3.1
105.07027	16.7
107.08588	34.1
109.06498	3.4
109.10162	17.3
111.08062	4.8
117.07004	11.7
119.08591	8.1
119.35918	1.3
121.06489	2.0
121.10141	21.6
122.42965	1.4
123.08092	1.6
123.11709	9.0
131.08575	14.9
133.10120	18.9
135.11697	14.8
137.13242	2.3
143.12160	1.4
145.10092	4.8
147.11690	6.1
149.13261	16.6
151.11206	2.4
159.11691	12.3
161.13199	4.2
163.14734	1.9
173.13222	4.8
175.14841	1.6
177.12752	5.0
187.14885	1.6
195.13788	13.0
213.14868	3.3
243.21016	3.9
261.22192	9.4
269.17474	88.7
270.17752	1.9
317.24658	3.2
333.31781	1.5
335.25793	89.2
336.26086	4.3
437.34055	4.1
453.30557	1.5
529.38885	99.1
530.39014	6.0
708.26587	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	37.9
64.10899	36.4
70.71621	63.2
72.60310	43.7
76.19089	36.2
80.75925	35.9
81.03426	94.7
81.07094	51.0
87.35664	40.9
91.05446	42.9
93.07023	100.0
95.08601	41.4
107.66503	38.2
119.08524	44.9
123.16101	36.9
171.08313	38.5
267.15836	70.8
273.86682	41.2
307.46326	52.4
335.25851	66.9
343.69507	42.6
640.60901	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29657	1.2
53.03934	4.8
55.01872	6.8
55.02086	1.4
55.05511	41.8
57.03184	2.0
57.03437	19.1
59.05000	3.3
60.08154	5.9
61.02923	4.7
61.16502	1.5
62.11812	1.3
65.03906	2.9
67.05505	76.5
69.03436	6.8
69.07067	11.9
70.06594	1.8
71.05008	7.5
71.05318	1.2
71.07321	1.3
71.19492	3.3
73.02909	2.2
79.05494	38.1
81.03419	59.0
81.07058	46.4
83.04982	22.8
83.08623	26.3
84.50579	1.5
85.02905	32.1
85.06518	3.9
86.09214	2.4
86.09707	28.0
87.04464	4.9
91.05482	44.8
93.07046	22.6
94.06551	2.7
95.04972	26.7
95.08606	19.8
97.02882	7.6
97.06551	7.5
97.10168	14.9
98.98471	1.8
99.04440	1.8
99.08081	2.0
103.05436	1.8
104.10748	2.0
105.07032	27.2
107.04940	12.3
107.08595	17.8
108.08107	1.6
109.06515	6.7
109.10155	42.4
110.06049	1.4
111.04456	3.2
111.08059	13.3
115.05456	3.7
117.07007	3.8
119.04940	1.3
119.08580	22.0
121.06506	3.5
121.10122	12.5
122.09672	1.9
123.04420	1.5
123.08058	3.0
123.11681	3.3
124.99997	12.7
125.06020	1.9
125.09620	15.5
127.03914	2.3
129.05455	1.7
129.07010	11.7
131.08574	11.1
133.06494	3.8
133.10133	14.4
135.08064	2.1
135.11679	4.1
136.07581	3.9
137.05977	4.0
137.09622	6.9
142.07770	4.2
143.10655	2.9
145.06467	1.8
145.10124	5.9
146.06038	1.8
147.08064	4.1
147.11690	13.1
148.07591	2.5
149.09619	8.5
150.09195	2.8
152.10713	2.1
155.10616	1.6
157.10112	13.2
163.11150	6.8
164.10716	1.7
165.12711	3.8
166.08627	6.3
167.07048	5.4
173.09586	1.6
173.11761	14.7
175.11189	15.5
180.06500	1.5
181.04974	3.2
181.12311	3.3
184.07346	100.0
191.10672	3.9
193.12257	49.5
199.13289	8.4
204.06586	2.1
208.09689	1.4
209.11769	4.0
211.13297	64.5
217.14372	2.1
227.12845	4.4
229.12074	3.0
229.14352	43.9
243.16121	1.5
251.07994	1.6
263.03644	1.4
265.09552	2.4
267.15924	27.6
268.16296	2.0
277.09491	2.0
283.15387	4.4
285.16949	39.1
286.17404	1.5
287.14651	3.4
301.16443	15.3
371.16101	1.8
409.25916	2.6
421.26001	10.1
427.26746	4.1
435.27417	1.6
439.26929	36.4
475.26929	2.9
479.27081	1.9
493.27921	4.8
511.28903	9.7
529.29742	5.3
555.32416	1.6
662.23254	5.0
670.98010	1.6
676.34497	4.8
694.25824	21.4
695.25812	2.4
703.39709	1.8
726.28473	29.9
726.39771	4.5
727.28723	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	724.411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53565	0.8
51.60652	0.9
53.03946	4.5
55.01866	3.1
55.05512	15.9
57.03435	15.6
59.04992	1.3
65.03959	1.6
67.05505	22.2
69.03432	4.6
69.07072	7.4
70.83784	2.2
71.01341	1.2
71.04977	4.7
79.05492	22.9
81.03417	87.5
81.06585	1.5
81.07057	24.4
83.04984	11.4
83.08619	24.2
85.02912	11.6
85.06537	1.8
86.09671	1.3
90.67610	0.9
91.05479	29.8
92.61321	0.9
93.07040	17.7
95.04967	30.3
95.08602	8.4
97.02895	3.2
97.06528	4.2
97.10182	6.4
99.08083	1.1
103.05421	1.1
105.07035	19.2
107.04959	9.7
107.08599	10.6
109.06519	5.1
109.10159	5.2
111.04443	3.7
111.08070	9.8
113.06011	1.8
115.05489	2.0
117.07037	3.6
119.05003	1.3
119.08576	18.6
121.06491	4.4
121.10144	9.3
123.08070	3.4
123.11755	1.5
125.09629	4.1
129.05521	1.3
129.07014	13.4
131.04962	1.1
131.08569	14.0
133.06494	5.2
133.10136	8.5
135.08049	2.4
135.11717	1.3
137.06003	1.3
137.09595	1.5
142.07790	3.1
143.08578	1.7
145.06470	4.5
145.10146	4.8
147.08043	4.9
147.11684	12.4
149.09578	6.0
151.11200	1.1
155.08557	1.9
157.10124	13.7
159.08052	1.5
159.11774	1.3
163.11188	4.4
165.12767	3.3
171.08086	1.1
171.11694	0.9
173.68861	0.8
175.11192	13.3
184.07378	2.1
185.13289	1.1
187.11061	1.2
189.11171	1.3
193.12254	34.9
205.12236	1.0
209.11676	1.8
211.13307	19.2
223.10864	1.0
227.12778	3.7
229.14368	4.7
233.15480	1.5
237.12888	1.0
249.14963	2.5
255.13721	1.7
267.15921	100.0
268.16351	2.0
273.14902	3.5
283.15439	5.4
285.17001	18.7
285.20123	1.1
301.16663	1.6
323.19617	1.0
349.21570	3.6
364.23587	1.0
367.22675	11.6
385.23703	13.7
386.31342	1.1
403.24777	3.0
405.23984	1.1
433.25864	13.2
437.25449	1.8
441.26297	5.6
459.27423	64.8
460.27664	3.2
477.28506	41.6
478.29117	1.4
527.28247	1.5
531.11029	1.2
585.29529	1.2
621.32648	1.0
724.38184	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.3
55.05510	11.6
57.03195	1.4
57.03436	10.2
61.51801	1.1
62.33548	1.1
67.05506	15.7
69.03426	3.0
69.07074	5.4
69.43420	1.1
71.04990	3.7
79.05488	20.3
81.03416	79.9
81.07043	18.6
83.01319	1.2
83.04987	9.0
83.08622	19.2
85.02905	10.2
91.04967	2.1
91.05479	24.4
91.06017	1.9
93.07040	12.1
95.04964	29.3
95.08624	7.3
97.02874	1.9
97.06538	2.8
97.10166	5.7
98.81873	1.2
105.07024	16.8
107.04926	6.6
107.08595	6.2
109.06525	5.7
109.10139	4.6
111.04440	2.5
111.08063	7.6
113.06038	1.3
117.07001	3.0
119.08584	13.8
121.06512	2.7
121.10121	7.0
123.08037	2.8
125.09642	3.3
128.06218	1.4
129.06996	10.5
131.08574	8.8
133.06505	4.2
133.10098	6.1
135.08083	2.1
135.11670	1.3
137.09601	1.4
139.12961	1.3
142.07784	3.3
145.06493	5.3
145.10144	1.9
147.08038	3.2
147.11687	8.1
149.09610	5.2
153.09128	1.2
157.10118	12.7
165.12717	2.5
169.10126	1.8
171.08049	1.5
175.11171	10.3
189.11180	1.5
193.12245	31.7
194.78360	1.2
197.13190	1.5
211.13289	15.0
229.14359	1.7
249.14835	3.0
255.13777	2.8
267.15909	100.0
273.14841	3.2
285.16965	19.2
306.52579	1.3
325.62891	1.3
326.35983	1.2
349.21793	3.0
367.22775	10.5
385.23727	11.8
403.24637	4.3
405.24088	1.8
415.24963	1.8
433.25769	14.7
441.26489	4.7
459.27408	67.5
460.27460	2.0
477.28500	39.0
518.15326	1.5
524.61633	1.5
608.17816	1.4
739.68744	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.01870	3.8
55.05505	25.3
57.03431	8.1
57.07084	2.7
61.70501	2.0
65.03931	5.8
67.05500	87.1
69.03428	12.1
69.07069	18.6
69.33910	15.2
69.34328	6.4
71.04985	30.2
79.05491	38.2
80.81303	2.1
81.03411	19.5
81.06580	5.2
81.07052	100.0
83.04969	24.5
83.08591	10.2
85.02889	3.6
85.06544	9.1
91.05475	43.0
93.07036	37.9
95.04979	9.5
95.08598	35.1
97.02901	5.0
97.06554	5.9
97.10212	5.1
99.08072	2.9
105.07024	25.6
107.08598	25.7
109.02924	3.2
109.06533	4.2
109.10150	20.0
111.04436	5.4
111.08051	3.3
117.07011	10.1
119.08572	18.7
121.06477	4.0
121.10142	15.0
123.08028	2.7
123.11673	15.7
127.03915	3.2
129.05508	10.9
129.07011	4.3
131.08607	13.8
133.10100	20.6
135.11717	7.0
143.08516	3.6
145.10130	9.2
147.11679	12.8
149.13261	9.3
151.11169	4.1
155.08603	2.7
157.10153	5.9
159.11687	11.1
161.09624	2.5
161.13254	3.8
167.08530	2.6
169.10153	3.3
171.11763	2.6
173.04552	4.9
173.09634	3.4
173.13185	4.5
177.12782	4.8
183.11674	4.5
183.13763	3.5
184.07367	3.5
185.13182	3.3
187.13309	10.1
206.25986	2.0
219.13680	2.4
225.14861	4.4
227.16370	3.6
243.15904	5.3
261.22202	6.5
266.57114	2.1
269.17496	9.5
293.86853	2.2
296.09799	2.2
301.21567	3.1
317.24634	2.8
335.25717	11.4
347.73941	2.6
351.23035	4.6
369.24268	5.7
387.25345	4.4
395.93564	2.3
458.38123	2.2
461.88052	2.2
503.31393	2.8
503.37405	27.4
505.38864	26.2
529.38843	7.7
561.41968	10.8
647.41327	3.9
673.42780	7.7
705.45728	2.9
723.45135	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	724.375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37213	1.0
50.90790	1.0
53.03938	4.1
55.01872	16.8
55.05512	23.5
57.03440	20.0
57.07074	3.1
61.02927	6.7
65.03944	1.5
66.36195	1.0
67.05505	35.1
69.03419	5.3
69.07079	9.9
69.97647	3.8
70.04208	2.0
71.01360	1.6
71.04984	5.0
73.02905	7.0
73.71077	1.1
79.05490	32.0
81.03416	22.2
81.07053	26.8
82.04190	7.3
83.01338	1.2
83.04985	14.7
83.08611	13.6
84.02106	2.5
85.02892	5.7
85.06531	2.9
87.04466	1.5
89.21313	1.1
91.03948	1.2
91.05479	24.8
93.07040	19.9
95.04967	18.8
95.08610	13.8
97.02888	8.6
97.06528	8.9
97.10166	19.4
98.07315	8.0
99.04442	1.8
99.08099	1.9
101.06049	1.2
103.05516	1.5
105.07040	12.8
107.04945	9.4
107.08585	18.6
109.06530	5.8
109.10161	14.1
111.04418	3.2
111.08099	3.9
116.04709	15.6
117.05508	1.6
117.07022	5.8
119.04956	1.2
119.08587	13.3
121.06532	3.7
121.10152	6.7
123.04397	1.5
123.08065	8.4
123.11697	1.2
125.09627	19.5
125.10536	1.2
127.07513	1.2
127.11217	2.2
129.05478	38.7
129.06895	5.3
131.08578	7.9
133.06569	1.9
133.10114	9.1
135.08067	4.6
135.11714	7.9
136.08846	1.9
137.09601	4.3
143.07018	10.3
145.10110	7.1
147.08055	2.4
147.11708	5.3
149.09616	3.4
153.09117	2.1
153.12706	2.2
157.08618	17.6
157.10147	6.2
158.05725	1.9
159.11691	1.7
163.11200	11.0
165.12810	1.7
171.06644	1.7
171.10179	5.8
171.11464	1.2
171.20822	1.1
173.09634	2.3
173.11719	4.6
175.11186	4.8
181.12160	2.5
185.08067	1.4
185.11708	2.0
189.11232	11.4
191.10600	2.9
193.12184	6.7
199.13272	10.7
199.61266	1.1
200.14088	5.9
209.11765	7.7
210.12587	3.5
211.13315	3.3
217.14301	2.1
227.12759	19.9
229.14351	4.5
247.13216	1.5
249.14854	1.6
255.15974	3.2
267.15869	12.9
283.15369	9.8
284.16080	1.5
285.16898	1.7
301.16449	100.0
302.16843	1.5
339.48892	1.2
383.20938	1.4
385.23816	1.6
409.25616	1.6
425.25226	1.2
437.25452	1.2
443.25986	2.3
447.39404	1.4
455.26334	5.2
459.27341	3.2
460.27600	1.4
475.26813	1.9
477.28378	5.5
493.28113	5.6
495.29639	1.9
509.27151	2.1
510.28137	4.1
527.28491	47.2
528.28802	1.7
583.14716	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03138	2.3
53.03931	8.0
55.01860	3.1
55.05508	23.8
57.03437	11.3
57.07065	5.6
57.36819	1.9
65.03944	3.9
67.05504	85.5
69.03432	13.6
69.07066	21.5
69.38264	22.4
70.59312	2.5
71.04986	24.8
71.48341	2.0
73.02927	5.2
79.05491	38.9
81.03417	29.1
81.07055	100.0
83.04978	22.2
83.08616	12.9
85.02901	12.1
85.06534	7.8
86.09706	2.7
91.05484	38.0
93.07042	43.6
95.04990	10.9
95.08607	43.6
97.02871	9.3
97.06522	9.6
97.10181	3.7
98.21541	4.9
99.04451	5.1
105.07025	22.9
107.04951	8.5
107.08603	30.1
109.02877	3.1
109.10152	23.1
111.04434	7.8
111.08070	3.7
117.07021	10.7
119.08558	15.9
121.06469	4.1
121.10146	19.4
123.08038	2.9
123.11687	17.1
124.99955	3.3
125.09647	3.8
127.03876	3.5
129.05486	10.6
129.07019	5.3
131.08557	13.8
133.10133	18.3
135.11737	12.2
141.06987	4.4
143.08534	6.9
145.10141	9.0
147.11673	8.3
149.09544	2.6
149.13248	9.2
151.11197	6.1
153.09178	2.6
155.08546	4.3
157.10141	4.6
159.11711	11.3
161.13239	6.1
163.11177	2.4
163.14847	3.5
173.04475	4.7
173.11745	2.7
173.13245	3.6
175.11211	2.7
177.12791	2.4
181.10243	2.6
183.11658	2.6
184.07315	20.3
185.07547	2.3
185.13214	2.5
187.13260	8.1
187.14828	2.7
193.12186	4.8
195.13692	3.0
197.13190	2.6
203.14589	2.4
217.07016	3.1
217.21086	2.1
225.14830	4.6
227.12766	2.9
229.14391	5.6
243.15991	5.4
257.17297	3.0
261.22171	5.0
267.15866	4.5
269.17517	7.8
335.25723	15.9
351.23154	3.4
369.24316	5.9
443.27911	2.4
461.29172	4.6
479.30869	2.8
489.35641	2.8
503.37201	22.6
505.38910	30.5
517.38934	3.9
529.38440	4.5
561.41162	10.0
673.43121	5.6
723.43420	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	723.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.1
54.86243	1.9
55.01855	2.5
55.05514	29.0
57.03431	6.9
57.07073	3.5
60.08147	4.2
65.03929	3.9
67.05505	81.2
69.03430	13.6
69.07069	18.7
70.29671	2.4
70.29996	9.0
71.04991	25.5
73.02910	3.2
79.05061	3.4
79.05495	45.5
81.03415	35.0
81.07056	100.0
83.04984	29.1
83.08624	10.5
85.02898	6.1
85.06535	10.7
86.09715	18.9
87.10054	4.3
91.05480	38.5
93.07046	39.4
95.04956	9.5
95.05486	2.5
95.08602	36.2
96.75138	2.1
97.02895	6.7
97.06519	7.3
97.10181	2.6
98.98454	3.3
105.04518	2.5
105.07037	23.0
106.54455	2.1
107.08591	23.6
109.02847	3.8
109.06467	4.9
109.10146	21.3
109.91695	1.9
111.04459	8.2
111.08033	2.7
117.07017	7.1
119.08572	16.8
121.10134	14.4
123.08089	2.9
123.11706	12.5
125.00018	16.4
127.79832	2.1
129.05458	14.5
129.06995	5.4
131.08586	13.1
133.09183	3.2
133.10110	19.4
135.11642	10.1
142.07866	1.9
143.08545	2.5
145.10178	12.7
145.11157	3.0
147.11671	12.3
149.09775	2.3
149.13286	10.0
151.11189	5.7
156.10559	2.2
157.10146	5.7
159.11703	7.6
161.13249	4.5
163.11031	3.4
163.14897	2.9
169.10176	2.1
171.11633	4.8
173.04477	7.1
173.13164	3.7
175.11166	3.2
177.12769	2.5
179.14304	2.1
184.07338	72.0
185.07692	11.8
185.13354	2.9
187.13333	14.2
187.14828	3.2
193.12289	3.7
195.13786	3.0
199.14720	3.1
201.14932	2.9
211.13269	2.2
225.14851	5.9
229.14296	3.0
243.15961	9.0
257.17282	3.6
261.22037	4.2
269.17465	7.8
285.22128	2.2
299.18567	2.9
335.25845	27.2
369.24301	3.9
387.25476	2.9
408.12622	2.1
445.24442	2.6
488.13721	2.4
503.37357	37.5
505.38943	22.3
529.38556	7.9
561.41571	22.7
673.42603	5.1
705.45026	5.4
723.45496	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	723.431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.8
55.01868	13.8
55.05507	30.6
57.03435	12.3
57.07067	12.3
59.04996	3.3
59.46300	1.5
60.26497	1.5
61.02921	1.6
65.03928	6.1
65.19844	1.2
67.05501	100.0
69.03421	17.3
69.07072	17.7
71.01351	2.7
71.05006	6.7
71.58174	1.8
73.02896	4.1
79.05491	62.5
80.06267	4.0
81.02980	2.4
81.03416	28.1
81.07054	59.5
83.01358	1.4
83.04977	12.6
83.08626	13.8
85.02911	13.0
85.06543	4.1
87.04462	1.5
91.05476	51.5
92.00126	1.4
93.07041	60.1
94.07806	2.2
95.04969	19.8
95.05573	2.2
95.08605	38.0
97.02891	14.5
97.06526	6.6
97.10169	9.3
99.04469	3.2
103.03928	1.7
103.05486	1.5
105.04500	2.0
105.07031	35.8
107.04951	7.1
107.08582	30.0
109.02863	5.9
109.06504	6.5
109.10155	43.5
111.04427	6.2
111.08070	4.9
115.05470	1.8
117.06998	17.9
119.08574	27.2
120.09301	1.9
121.06499	4.0
121.10136	24.9
123.08038	3.7
123.11699	4.8
125.09619	8.0
127.03912	4.1
127.11194	4.0
128.06215	2.1
129.05464	3.6
129.06993	7.9
131.08559	21.2
133.10121	17.8
135.08051	3.9
135.11685	14.9
137.09619	3.3
139.11166	1.7
143.08562	4.9
145.10115	12.9
147.08052	2.1
147.11691	15.9
149.09625	5.0
149.13254	5.1
151.11163	1.9
155.08546	2.0
157.08838	1.4
157.10051	7.4
159.11707	8.4
161.09660	2.7
161.13263	6.1
163.11147	4.2
163.14850	2.7
165.12756	3.3
169.10150	2.6
171.11684	2.8
173.04456	2.1
173.11765	8.3
173.13293	6.7
175.11206	4.8
175.14758	3.6
181.12274	2.0
183.11699	1.6
184.07423	3.4
185.07933	2.0
185.13274	2.8
187.14651	2.6
189.12791	1.6
190.04646	1.7
191.10709	1.7
193.12239	5.1
199.06026	1.7
201.14877	4.2
209.11729	5.0
211.13281	5.2
227.12793	3.7
229.14352	5.6
247.16992	1.8
255.15929	4.3
259.20670	1.5
261.22089	6.8
267.15967	3.3
275.20239	1.7
277.21603	2.3
283.15356	2.2
285.16809	1.7
294.92764	1.4
303.23047	1.9
311.22241	1.7
317.24557	2.0
324.25772	1.3
335.25851	8.2
369.24289	1.7
389.26657	1.5
405.49368	1.6
489.35651	28.7
492.37524	2.4
527.36334	1.7
527.82880	1.5
543.36334	4.9
545.38068	2.2
561.37952	2.5
723.42297	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	723.431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.1
51.70421	2.3
52.63685	2.2
53.03947	10.8
55.01867	24.3
55.05510	40.3
56.70037	2.1
57.03428	14.8
57.07076	26.9
58.37110	2.7
65.03936	8.6
67.05500	100.0
69.03419	22.2
69.07070	28.2
69.27517	16.1
69.27952	10.3
71.04983	13.4
73.02917	13.0
73.03262	2.4
79.05489	99.6
80.06256	8.2
81.02979	4.5
81.03416	50.3
81.07050	96.2
82.04191	2.5
83.04983	21.8
83.08628	18.0
85.02908	17.3
85.06536	6.8
86.09709	10.1
87.04451	2.1
90.76351	2.4
90.97419	2.5
91.04900	4.4
91.05477	91.4
93.07040	87.6
94.07845	4.2
95.04969	24.4
95.08015	1.8
95.08604	55.3
97.02883	15.9
97.06519	11.6
97.10169	7.8
98.07404	2.3
99.08063	3.0
101.02402	3.0
105.07028	69.9
106.07822	3.5
107.04929	12.5
107.08589	40.1
109.02853	6.0
109.06519	6.1
109.10146	31.0
109.99680	2.6
111.04449	9.1
111.08086	12.9
113.06001	5.3
115.05437	3.6
117.05565	2.8
117.07010	25.2
119.08583	42.8
121.06486	3.8
121.10139	35.0
123.04392	2.9
123.08125	4.9
123.11724	9.1
125.00007	4.5
125.09657	7.1
127.03931	7.1
127.11201	8.1
128.06194	2.9
129.05493	6.8
129.06990	13.5
131.08563	35.8
132.09283	2.6
133.10117	39.2
134.10884	3.9
135.04446	4.1
135.08017	2.7
135.11671	21.1
137.09610	5.8
143.08586	4.3
145.10109	18.8
146.10873	3.4
147.08032	3.5
147.11678	25.7
149.09616	7.6
149.13272	8.5
151.11200	3.1
157.10179	11.4
159.11722	11.6
161.13232	7.0
163.11211	5.8
165.12766	5.7
169.10153	2.6
171.06525	4.7
173.04587	4.4
173.11870	4.7
173.13277	11.7
175.11220	7.6
175.14856	5.3
184.07352	28.1
185.07980	3.9
185.13292	2.7
187.14813	6.3
189.11255	2.6
189.12753	2.9
193.12251	12.7
201.14874	6.6
209.11673	4.8
211.13329	10.4
227.12743	5.7
229.14255	12.6
247.16957	4.2
255.15927	4.9
259.20624	3.7
261.22137	8.8
267.15930	8.7
277.21628	3.9
285.17087	4.8
335.25739	20.7
365.26819	2.8
387.94815	2.5
389.26807	4.5
489.35660	3.0
527.37158	3.6
543.36377	8.8
545.38232	6.3
561.37500	5.7
723.43719	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	723.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.4
55.01870	22.5
55.05507	41.7
57.03431	24.4
57.07073	24.3
60.08151	4.9
65.03925	8.8
66.62653	3.7
67.05134	4.8
67.05502	100.0
69.03429	31.3
69.07053	26.5
69.51453	20.1
71.04992	10.5
73.02919	15.5
79.05488	97.5
80.06268	4.6
81.03410	62.1
81.07050	91.9
83.04977	28.8
83.08614	18.8
85.02899	25.2
85.06561	4.6
86.09705	29.3
87.10008	3.7
91.05472	77.2
92.06271	4.1
93.07041	85.2
95.04961	26.4
95.08604	45.8
97.02885	22.7
97.06534	12.3
97.10171	7.8
98.98497	3.8
99.04437	6.1
99.08106	5.3
105.04490	3.6
105.07031	61.5
107.04941	14.3
107.08583	45.3
109.02888	7.6
109.06525	9.0
109.10147	36.3
111.04441	10.0
111.08075	12.2
115.17894	3.5
117.06997	25.4
119.08562	47.1
119.09342	3.8
121.06511	7.3
121.10142	31.1
123.04476	5.3
123.08038	7.2
123.11690	11.8
123.60500	3.6
125.00014	13.4
125.09608	9.1
127.03900	10.9
128.06190	5.2
129.05466	7.3
129.06989	13.1
131.08569	31.7
133.10132	38.8
135.04419	5.8
135.08015	4.5
135.11728	18.3
137.09612	7.2
145.10075	19.2
147.11671	27.0
149.09608	7.9
149.13263	7.0
151.11139	4.0
153.05438	4.5
157.08476	3.6
157.10129	11.2
159.11705	12.5
161.13277	9.7
163.11212	6.1
165.12785	5.5
171.06564	4.9
171.11743	3.7
173.04436	5.0
173.11804	8.1
173.13254	10.3
175.11200	8.9
184.07335	81.4
185.07736	11.3
185.13272	3.6
193.12245	14.5
209.11794	4.5
211.13255	8.0
213.72041	3.4
226.09482	3.5
227.12880	5.9
229.14412	13.1
255.15894	4.2
261.22205	4.7
267.15872	9.3
275.20047	5.0
285.17023	4.9
293.03860	3.6
335.25864	20.3
351.25562	3.7
455.46487	3.8
543.36896	4.7
545.38501	6.5
561.37775	4.3
705.42340	4.3
723.45355	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	723.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18146	0.9
53.03936	4.6
55.01874	6.0
55.05264	1.6
55.05510	22.6
57.03433	7.7
57.07061	3.3
59.04984	2.9
59.66752	0.9
61.02909	1.0
65.03930	3.7
67.05503	100.0
69.03082	1.1
69.03422	11.6
69.07073	14.1
70.26432	5.2
71.01321	1.4
71.04990	5.0
73.02910	1.2
73.90622	1.0
79.05490	37.7
81.03418	13.4
81.07055	42.8
83.04978	6.7
83.08612	10.5
85.02912	9.0
85.06530	3.0
86.09708	2.8
87.04459	1.6
91.04900	1.7
91.05476	32.2
91.55259	1.0
93.06477	2.2
93.07044	38.6
95.04951	10.3
95.08606	28.2
97.02898	8.8
97.06526	2.8
97.10181	8.7
98.20815	1.4
99.04446	2.6
99.08103	1.5
100.78532	1.0
101.02374	1.6
105.07027	19.3
107.04950	3.8
107.08588	18.8
109.02869	5.1
109.06509	3.2
109.10154	54.2
111.04440	2.8
111.08060	3.9
115.05460	1.6
117.07021	9.5
117.14386	0.9
119.08567	17.2
121.06500	2.8
121.10136	16.6
123.08037	2.7
123.11693	3.4
124.99982	2.4
125.09640	8.5
127.03904	3.9
128.06197	1.2
129.05510	1.4
129.06976	5.9
131.08583	11.1
133.06468	2.1
133.10118	10.4
134.79575	1.0
135.07961	1.8
135.11678	9.8
137.09599	3.6
141.06953	2.5
141.66377	1.0
143.08540	3.2
143.10719	1.6
145.06441	1.4
145.10106	11.3
147.08031	1.5
147.11685	5.7
149.09621	3.4
149.13243	3.4
151.11195	1.1
153.12709	1.7
155.08530	3.7
155.10657	1.1
157.10117	3.6
159.08076	1.3
159.11734	5.0
161.09566	1.4
161.13232	2.6
163.11179	4.3
169.10187	2.4
171.11653	3.0
173.09578	1.8
173.11728	13.6
173.13274	3.6
184.07349	12.2
185.07719	2.2
185.13194	2.4
187.11174	1.1
187.14781	1.7
191.10764	1.5
193.12166	1.3
199.13303	1.8
209.11726	1.6
227.12740	2.7
229.14253	6.7
245.13922	1.3
261.22165	3.2
275.19904	1.4
277.21545	1.2
283.15427	2.3
285.22220	1.4
317.24554	1.3
319.22781	1.3
335.25699	4.4
369.24469	2.0
385.90118	1.0
387.25388	1.4
489.35739	49.7
543.36725	2.7
561.37744	1.3
679.39771	1.2
705.42096	1.3
719.67657	1.1
723.42645	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	723.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.3
55.01869	23.6
55.05511	37.7
57.03426	16.6
57.07078	33.2
57.80088	2.2
64.15031	2.5
65.03934	6.1
67.05505	98.0
67.63914	2.3
69.03429	21.5
69.07067	27.2
69.29151	11.8
69.29585	13.9
71.01365	4.2
71.04992	6.7
73.02917	3.7
74.97740	2.6
77.03901	3.4
78.04693	2.7
79.05489	100.0
79.98987	2.1
80.05827	2.5
80.06282	6.6
81.03413	36.3
81.03849	3.0
81.07056	90.6
83.04988	18.0
83.08616	17.7
85.02910	12.2
85.06548	6.2
88.58016	2.2
91.05481	89.6
92.06268	2.8
93.07037	78.0
94.07836	4.5
95.04966	26.6
95.08604	50.3
97.02880	11.8
97.06516	12.9
97.10187	10.3
99.04451	6.7
99.08089	4.4
103.05489	2.5
105.04431	2.4
105.07024	64.3
106.07771	2.6
107.04945	8.8
107.08597	44.6
108.09428	2.6
109.02898	8.9
109.06503	6.8
109.10150	25.4
111.04434	6.1
111.08086	7.0
115.05469	3.4
117.05468	2.5
117.07002	26.4
119.08584	45.8
120.84716	2.5
121.06499	3.7
121.10143	43.1
121.11010	2.9
123.04405	5.4
123.08085	6.9
123.11714	4.7
125.09663	6.8
127.03935	6.1
127.11200	5.9
129.05466	9.0
129.06969	13.1
131.08574	35.3
133.06569	2.9
133.10123	36.4
135.08119	3.0
135.11682	23.2
137.09644	2.9
139.11223	2.9
143.08568	6.8
145.10147	23.8
147.08043	3.6
147.11659	24.4
148.12508	2.7
149.09601	8.1
149.13266	10.1
155.08543	3.3
157.10149	8.3
158.05756	2.9
159.11717	11.0
161.13240	7.6
163.11255	5.6
169.10080	2.9
171.06531	3.7
171.11635	3.6
173.04433	4.1
173.09680	3.3
173.11960	2.7
173.13243	12.7
175.11203	7.5
175.14845	3.5
177.12848	3.7
184.07419	2.5
185.08022	2.7
185.13332	3.2
187.14816	6.5
191.10672	3.3
193.12241	12.1
194.97743	3.0
201.14865	7.9
209.11743	9.7
211.13324	7.5
227.12840	7.5
229.14429	5.5
243.21115	3.5
247.17020	5.2
261.22293	4.5
264.46988	2.6
267.15805	3.1
277.21664	5.8
283.15472	5.0
317.24893	3.6
333.24219	2.7
335.25827	18.3
389.26706	2.7
492.37579	4.7
515.37531	3.7
535.29004	2.7
543.36700	11.2
545.37909	4.2
561.37848	5.6
723.41870	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	723.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.7
54.91029	4.1
55.01864	10.0
55.05506	37.3
57.03422	16.6
61.02915	7.9
65.03934	7.6
67.05171	8.5
67.05505	100.0
68.92578	4.2
69.03418	15.0
69.07069	32.5
70.79659	4.0
71.04996	10.4
71.57534	5.6
79.05495	60.3
81.03423	38.1
81.07057	80.6
83.04986	16.6
83.08618	17.2
85.02892	20.3
91.05479	85.9
92.05795	4.4
93.07034	67.3
95.04973	21.9
95.08604	45.3
95.11932	4.3
97.02911	14.3
97.06522	20.0
97.10172	16.5
99.04450	5.2
105.07037	55.7
107.04942	12.5
107.08597	41.9
109.06538	10.6
109.10159	37.4
111.08073	8.0
115.05403	5.3
117.07018	28.0
119.08567	52.1
121.10142	17.8
123.08084	10.5
123.11649	7.5
125.09634	10.7
129.07027	24.6
130.07777	6.2
131.08556	50.1
133.10141	25.8
135.08064	8.4
135.11687	17.3
135.73251	4.7
141.06955	7.3
142.07758	7.4
143.08577	25.5
145.10103	35.0
147.11688	26.0
149.09604	11.5
149.13274	8.7
155.08543	13.1
157.10132	23.4
159.11711	20.0
161.13297	11.7
163.11166	7.3
165.12823	5.8
169.10136	16.1
171.11717	17.6
173.11876	4.9
173.13292	12.9
175.11180	9.2
175.14815	6.2
181.10129	11.7
183.11649	11.6
185.13275	7.2
193.12247	15.3
195.11653	9.5
197.13194	10.2
199.11139	5.0
199.14832	6.4
201.16624	5.8
209.13307	8.2
211.13275	12.9
220.20695	4.7
221.13274	7.5
223.14857	10.0
227.12680	4.9
229.14249	9.8
235.14992	5.0
237.16190	5.7
241.19518	12.2
252.87651	5.2
259.20605	16.2
267.15924	8.9
269.17593	5.7
275.20212	11.0
285.17029	10.5
299.23798	5.7
315.23282	7.6
333.24133	12.6
339.23206	5.8
371.26126	5.6
415.29865	11.0
433.31052	22.5
451.32239	14.1
469.33188	7.2
507.34476	8.3
517.35327	10.3
525.35767	41.5
543.36810	97.8
561.38049	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	722.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88866	0.2
55.01875	0.3
55.05498	0.3
56.05044	0.7
56.24843	0.1
57.07079	0.3
58.06585	1.4
59.07386	1.1
59.47960	0.1
60.08163	5.7
67.05496	0.8
69.03423	0.3
71.07375	2.5
71.08607	0.2
79.05495	0.8
81.03412	0.5
81.07063	0.8
83.04966	0.2
83.08639	0.2
86.09705	26.2
91.05484	0.5
93.07030	0.9
95.04959	0.2
95.08609	0.5
96.02719	0.2
97.02879	0.2
98.98464	3.0
104.10738	2.1
104.11413	0.2
105.07027	0.2
107.08600	0.4
109.06525	0.1
109.10175	0.4
111.04449	0.2
117.07031	0.2
119.08592	0.3
121.10159	0.4
123.11749	0.2
125.00005	16.9
131.08546	0.3
135.11661	0.2
143.01047	0.4
163.01521	0.3
166.02655	0.2
184.07338	100.0
185.07628	0.8
222.08852	1.2
224.10498	0.2
227.12659	0.3
229.59636	0.2
238.08406	0.2
282.11008	0.3
283.15280	0.2
313.44550	0.2
335.25735	0.8
354.13120	0.3
496.33801	0.2
543.36371	0.3
550.35089	0.3
555.26312	0.2
586.42194	0.2
722.45990	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70378	0.7
56.05022	1.1
60.07924	0.6
60.08160	7.0
71.07366	4.2
75.29753	0.7
78.28054	0.7
86.09704	31.4
98.98451	2.9
104.10744	2.0
125.00003	22.8
126.63359	0.8
184.07335	100.0
239.17000	0.7
307.63910	0.7
599.88983	1.0
677.35175	0.8
722.49243	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	723.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	8.1
67.10061	1.0
69.03427	2.2
69.84320	2.5
69.84727	3.0
81.03418	2.2
84.96047	3.8
85.02888	3.8
93.44370	0.9
97.02916	2.1
98.20689	1.1
98.97577	24.5
109.02859	1.5
110.97588	3.6
116.98614	20.6
119.01913	2.9
121.01623	1.2
127.03902	2.8
128.98608	12.5
133.01651	1.0
134.99643	10.5
140.00241	1.1
140.98569	2.2
143.00168	4.9
143.01869	2.1
146.99631	15.1
149.01257	1.3
153.01834	2.3
158.21594	1.1
158.99643	13.2
161.01196	13.2
161.02809	1.9
163.02655	1.5
165.00656	2.4
170.99615	11.3
171.05034	1.6
173.01294	2.3
173.02965	2.9
175.02756	2.0
177.00699	19.5
179.02248	3.1
182.99606	7.0
185.02907	2.6
187.02751	2.3
189.00699	25.7
195.01782	3.0
199.02734	1.1
201.00688	41.6
203.03999	2.5
207.01720	4.0
213.00685	3.9
219.01744	45.2
221.01123	1.5
221.05003	2.2
223.04713	1.1
224.02341	1.8
231.01813	4.1
237.00494	1.3
237.02815	23.8
242.03421	1.5
243.01775	18.1
245.05145	5.2
247.04883	3.6
255.01642	2.2
255.04008	2.5
261.02811	80.3
262.03134	1.6
273.02777	7.7
277.03589	2.1
279.03879	59.0
280.04361	1.2
291.03870	17.0
293.03543	1.4
297.05237	1.9
302.05499	5.4
303.01196	2.3
309.04938	1.5
314.05606	1.0
321.01151	1.7
321.04944	32.5
321.10464	2.0
327.03986	1.3
333.04764	4.2
351.05893	8.7
351.10687	2.0
354.73703	1.0
355.03342	2.6
363.05887	3.5
371.03998	1.3
373.04535	1.5
381.07092	26.8
398.02121	1.1
399.02698	2.0
399.08130	34.7
417.03543	1.5
422.09720	2.8
424.12170	1.2
439.61569	1.3
441.03937	4.8
441.09125	100.0
442.09598	2.3
453.08981	4.0
457.04761	1.3
457.11057	1.1
459.04791	5.0
501.05380	1.9
543.06409	5.8
561.07684	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	722.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
53.03932	2.0
55.01870	4.3
55.05513	11.0
57.03443	9.1
57.07086	1.0
61.02935	0.9
65.03947	0.7
67.05502	12.0
69.03407	1.4
69.07076	3.6
71.03278	1.8
71.04985	1.9
73.02908	0.7
79.05490	14.7
81.03417	37.8
81.07058	11.4
83.01342	2.7
83.04969	7.3
83.08616	11.4
85.02905	2.7
85.06549	1.4
91.03977	0.7
91.05476	13.6
93.07040	13.8
95.04963	14.2
95.08604	5.2
97.02892	1.8
97.06522	3.1
97.10144	5.6
99.04456	2.3
103.05540	0.8
105.07029	8.5
105.99796	0.9
107.04946	7.5
107.08589	7.8
109.06511	4.7
109.10154	3.5
111.04435	2.4
111.08092	3.3
113.05996	1.0
117.07014	6.1
117.86716	0.7
119.08572	9.0
121.06535	4.0
121.10154	4.6
121.10921	0.7
123.04441	1.8
123.08064	4.3
123.11558	0.8
125.06036	0.9
125.09618	4.6
129.07002	4.8
131.04918	1.1
131.08563	6.0
133.06502	2.2
133.10126	3.0
135.08072	2.2
135.11716	5.8
137.09608	0.9
143.08562	1.8
145.06502	2.1
145.10124	7.8
147.04517	0.9
147.08081	3.8
147.11661	4.4
149.09608	2.7
153.12746	1.7
155.08598	1.8
157.10110	4.5
158.07300	0.9
161.05975	3.3
163.11200	9.2
169.06439	0.8
173.09627	3.5
175.11185	3.9
181.10277	0.9
181.12192	1.8
183.11783	1.1
185.09616	1.1
189.11243	1.9
191.10672	1.9
193.12253	9.0
195.11719	0.9
203.14293	0.9
205.12254	2.1
209.11655	1.9
211.13274	2.7
215.10669	0.7
227.12781	3.1
231.13774	1.4
249.14926	1.0
267.15915	29.1
271.13275	2.0
273.14780	1.6
283.15375	24.8
285.16907	2.1
287.16415	1.2
289.14392	2.4
330.79968	0.9
337.21622	1.2
355.22607	1.8
365.21078	3.3
383.22183	17.4
384.22693	1.0
401.23166	8.5
419.24176	2.0
431.24323	1.8
439.25003	2.8
457.25903	29.9
475.26923	100.0
476.26981	3.3
493.27908	12.1
517.27747	1.8
715.10657	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.1
55.01870	12.8
55.05512	35.6
57.03433	16.1
59.04983	3.8
61.02927	4.5
65.03926	6.0
67.05503	77.1
69.03434	18.4
69.07065	26.2
71.01353	2.9
71.04985	10.8
73.02924	3.9
79.05492	70.2
81.03421	100.0
81.06580	5.5
81.07059	91.2
82.36133	3.1
83.04984	25.6
83.08618	28.0
84.79629	2.8
85.02896	28.0
85.06542	4.0
91.05481	77.6
91.06020	6.1
93.07047	60.7
95.04961	36.2
95.08591	43.1
97.02895	23.3
97.06522	23.8
97.10177	13.1
98.21484	5.0
98.98481	3.0
99.04453	9.6
105.07027	58.4
107.04942	23.7
107.08592	40.1
109.02883	18.6
109.05903	2.6
109.06510	18.1
109.10139	25.4
111.04430	15.2
111.08103	12.9
113.03834	2.8
117.07012	14.5
119.08574	47.2
121.06516	12.2
121.10129	27.4
123.04422	5.1
123.08088	12.8
123.11704	7.0
125.06038	3.6
125.09630	10.1
127.03928	14.2
128.06253	3.5
129.05479	4.2
129.07013	19.6
131.04860	2.9
131.08560	34.8
133.06508	7.8
133.10126	29.1
135.08069	11.0
135.11720	16.3
137.06010	5.0
137.09647	8.3
139.07715	3.7
141.06921	4.0
142.07765	3.9
143.08577	10.8
145.06396	4.1
145.10133	24.0
147.08058	11.8
147.11678	32.2
149.09604	21.2
151.11151	5.9
151.31050	2.8
153.01840	3.3
155.08565	3.8
157.10158	18.9
159.08116	5.2
159.11674	11.9
161.09627	7.4
161.13281	5.2
163.11134	20.7
165.12750	9.7
169.10110	7.6
171.11647	4.9
173.04482	5.9
173.09624	4.5
173.11833	3.6
173.13261	5.1
175.11111	16.0
177.12791	3.3
181.12285	4.8
183.11639	6.2
184.07294	3.6
187.11281	3.5
187.14769	3.2
189.11166	5.3
191.10730	4.4
193.12239	32.7
195.13814	3.9
209.72595	2.9
211.13248	44.1
215.10680	4.5
227.12689	15.8
229.14343	3.2
229.19469	5.4
229.57397	3.1
239.17944	8.7
247.20590	3.9
249.14960	4.1
257.19052	9.9
259.13184	3.0
267.15909	31.6
273.15106	4.4
275.20053	74.9
283.15417	10.4
285.16870	15.4
291.19641	3.1
293.21069	7.2
327.32904	2.8
349.23660	30.2
355.17438	6.8
383.22028	5.7
411.19992	4.3
429.21307	11.6
457.25958	5.7
475.27081	23.2
493.28098	5.1
541.35010	32.7
559.35876	21.0
641.74664	3.1
685.39154	4.8
703.40924	15.3
721.41095	12.6
750.14709	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	721.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34339	3.2
53.03931	13.0
53.84787	3.0
55.01869	35.3
55.05508	33.4
57.03426	13.7
65.03922	5.4
67.05501	72.5
69.03432	22.7
69.07069	34.8
69.34507	15.3
69.34933	20.4
71.04967	8.6
73.02912	4.9
73.08411	3.2
77.51637	3.1
79.05489	52.8
81.03413	82.4
81.07051	71.9
83.04975	28.8
83.08621	24.2
85.02893	10.9
85.88966	3.6
87.70583	3.7
91.03892	4.7
91.05476	65.7
92.05808	4.6
93.07037	51.9
95.01331	8.9
95.04965	32.7
95.08601	25.9
97.02877	18.3
97.06528	52.2
97.10154	12.7
97.77747	3.0
99.04465	3.3
99.08068	3.5
105.07029	71.9
107.04974	27.4
107.08584	30.2
109.02889	8.9
109.06521	9.9
109.10165	18.3
111.04447	4.8
111.08044	10.5
113.05961	3.7
115.05488	7.3
117.07002	16.6
119.08567	46.8
121.06460	4.5
121.10121	17.6
123.04390	4.4
123.08043	5.3
123.11724	5.7
123.88389	3.2
125.09664	4.7
127.03902	10.3
128.06232	3.5
129.06998	14.0
131.08559	31.4
133.06535	4.4
133.10127	38.9
135.08046	6.7
135.11682	11.5
137.09616	5.9
143.08528	6.2
145.06543	3.1
145.10153	16.6
147.08040	4.1
147.11667	29.4
147.17448	3.5
149.09604	13.8
149.13313	5.3
151.11208	4.2
157.10088	16.0
159.11674	10.9
161.13271	5.1
163.11169	9.7
165.09119	3.4
165.12721	4.3
169.10089	6.1
171.11642	7.0
173.04434	5.6
173.09586	3.6
173.13232	8.2
175.11183	11.3
177.12703	4.2
179.14275	10.8
187.11169	4.0
191.10596	3.8
193.12209	26.4
197.13171	6.1
211.13286	31.6
221.97156	3.2
227.12614	7.1
243.71626	4.1
257.18982	10.0
267.15939	26.5
275.20056	100.0
285.16849	6.0
293.21082	11.2
313.21750	4.4
337.16745	4.0
349.23639	44.5
355.17505	4.7
356.44922	3.6
411.20203	6.6
413.17642	9.1
429.21179	25.4
541.35181	52.0
559.36090	24.1
703.40631	30.0
721.37579	52.6
722.37213	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	721.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	15.4
55.01874	12.3
55.05509	25.0
57.03439	15.4
57.07052	3.6
61.02916	5.0
65.03951	4.0
67.05174	4.4
67.05503	57.1
69.03429	28.7
69.07072	18.2
69.15159	2.3
71.05003	13.3
73.02888	2.6
76.30489	2.3
79.05491	41.1
81.03419	100.0
81.07059	73.5
83.04978	21.7
83.08616	23.2
85.02891	15.8
85.06510	2.3
91.05478	59.3
93.07045	48.7
94.64660	2.4
95.04973	25.1
95.08610	30.1
97.02897	20.2
97.06528	15.6
97.10183	9.9
98.21596	5.8
99.04454	9.1
99.08114	5.5
105.07034	54.6
105.07693	5.1
107.04932	12.7
107.08592	31.0
109.02871	11.0
109.06506	8.7
109.10157	13.7
111.04427	11.8
111.08073	9.4
117.07031	15.9
119.08582	38.4
121.06524	5.5
121.10136	15.5
121.85461	2.5
123.04427	5.6
123.08047	6.6
123.11690	7.1
125.09635	7.4
125.30524	2.3
127.03929	11.8
128.06233	3.7
129.05444	5.9
129.06990	11.8
131.04930	3.3
131.08557	22.4
131.76982	2.5
133.06512	6.2
133.10126	26.5
135.08073	7.2
135.11664	8.0
137.09593	5.2
141.06995	3.4
142.07756	3.9
143.08543	9.7
145.10127	19.3
147.08006	5.1
147.11682	23.0
149.09621	10.6
149.13242	3.6
151.11179	4.2
153.12727	2.7
155.08514	3.2
157.10132	11.2
159.08112	3.2
159.11687	10.4
161.09647	3.0
161.13298	2.6
163.11128	4.6
165.12790	6.9
169.10178	6.3
171.11655	7.0
173.04507	25.8
173.09579	5.2
173.13246	8.4
175.11195	9.7
177.12749	3.9
181.10167	3.0
181.12196	3.3
183.11676	4.4
187.11284	4.2
189.11154	4.4
189.12720	3.1
193.12251	27.7
195.13814	5.2
197.13271	2.8
199.14856	3.3
211.13220	30.1
211.14935	2.9
216.62569	2.4
219.17741	2.8
227.12790	6.3
229.14200	3.4
257.19052	6.4
261.31808	2.5
267.15863	14.3
269.17642	3.1
273.18640	3.6
275.20026	33.2
285.16870	13.8
299.20102	4.3
349.23712	17.1
355.17728	3.6
429.21515	3.8
449.30338	4.0
461.28564	3.2
479.29865	4.4
513.36084	3.4
541.35345	22.1
559.36133	21.0
575.16333	2.9
591.83325	2.9
623.33899	7.5
703.40216	8.1
721.41064	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	721.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	13.4
55.01871	19.6
55.05510	36.8
57.03434	16.9
59.05007	3.0
64.52097	3.1
65.03937	6.4
67.05177	4.9
67.05505	69.5
69.03423	24.2
69.07072	29.0
69.93810	2.7
70.21499	11.5
71.04989	10.5
73.02930	3.7
79.05058	5.4
79.05491	63.8
79.43641	3.3
81.03416	100.0
81.07051	79.5
83.04989	30.7
83.08623	26.3
85.02904	23.4
91.05482	77.5
91.06068	2.2
93.07034	53.7
95.04958	34.7
95.08609	36.4
97.02901	24.0
97.06528	20.7
97.10152	10.9
99.04448	10.4
99.08050	3.5
105.07020	50.4
106.95772	2.6
107.04932	15.9
107.08594	40.5
109.02888	18.8
109.06509	14.4
109.10130	17.7
111.04440	11.5
111.08095	9.2
115.05465	4.2
117.07022	28.2
119.04952	3.3
119.08583	42.7
121.06508	6.1
121.10135	19.1
123.08119	6.2
123.11655	5.5
125.09632	11.7
127.03924	14.3
128.06163	3.5
129.05453	4.6
129.07042	15.7
131.08553	29.1
133.06506	4.9
133.10117	30.9
134.07491	3.0
135.08044	12.0
135.11694	12.9
137.09636	7.6
141.06978	3.3
143.08534	12.6
143.09549	3.0
145.06477	4.6
145.10146	25.7
147.08032	7.7
147.11671	23.7
149.09607	16.5
149.13226	6.9
150.38519	3.8
151.11142	4.6
153.12776	3.2
155.08530	9.0
157.10133	15.5
159.11650	14.6
161.13327	3.7
163.11151	10.8
165.12758	6.6
169.10135	5.9
171.08084	4.0
171.11679	7.6
173.04442	13.8
173.09514	5.8
173.13274	10.1
175.11185	12.5
176.36014	3.5
181.10020	3.3
183.11685	7.1
185.00568	3.1
185.13177	4.1
187.11240	4.0
187.14815	3.8
189.09300	3.5
189.11180	5.9
191.10645	4.4
193.12228	27.4
195.11774	3.6
197.13312	6.7
211.13264	34.4
211.15018	4.4
213.12801	3.0
219.39459	3.1
227.12813	10.4
229.19542	4.1
239.18037	4.0
247.17050	3.1
247.20332	4.1
249.14864	4.4
257.18979	12.9
267.15979	18.4
269.17441	4.8
275.20047	63.3
285.16989	16.1
293.20883	6.5
299.19992	3.2
331.22604	4.0
337.16516	4.1
349.23749	30.2
429.21133	8.8
449.30667	5.0
462.86465	3.9
467.31628	6.9
467.74084	3.4
475.26895	3.6
501.32169	3.9
541.35229	31.5
559.36340	34.1
685.39423	4.1
703.40155	14.5
721.40637	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.7
54.17239	2.5
54.65272	2.7
55.01866	38.8
55.05509	29.0
55.79884	2.7
57.03421	12.4
65.03920	6.6
67.05174	4.0
67.05505	63.2
69.03414	20.9
69.07066	34.6
71.03738	5.3
71.04984	11.9
71.12251	2.6
79.05065	4.0
79.05493	52.5
81.02930	3.6
81.03413	71.9
81.07059	69.7
83.04984	21.6
83.08618	17.0
84.39505	2.7
85.02890	13.4
85.06544	4.2
89.20384	2.8
91.05478	75.7
93.07045	47.5
95.01315	6.2
95.04970	27.0
95.08613	35.7
97.02882	17.9
97.06533	54.3
97.10139	8.5
99.08097	3.0
101.94277	3.0
105.07030	73.9
107.04966	18.7
107.08585	23.7
109.02873	12.1
109.06519	7.1
109.10143	14.4
111.04441	9.2
111.08077	4.5
115.05477	2.9
117.07015	15.8
119.08581	48.0
121.06448	5.6
121.10130	16.6
123.04463	3.5
123.08089	7.2
123.11688	4.0
125.09635	6.2
127.03893	7.1
128.06247	3.9
129.07028	14.2
131.08560	30.1
133.06494	5.2
133.10126	40.0
135.08022	6.3
135.11697	12.2
137.09639	3.7
140.67403	2.7
142.07819	4.3
143.08566	4.5
145.10123	18.8
147.08043	4.9
147.11674	21.5
149.09621	16.3
149.13252	5.1
151.11244	3.5
157.10103	10.5
159.08076	3.7
159.11687	11.8
161.13174	5.0
163.11174	10.3
165.09042	3.7
169.10078	4.4
171.11684	8.6
173.04434	8.8
173.13202	4.9
175.11215	8.0
177.12564	3.0
179.14249	13.5
183.11671	3.7
185.13242	3.8
187.11212	4.2
193.12251	22.5
197.13138	3.9
211.13275	27.8
219.17548	3.8
221.18069	3.1
223.13100	3.2
227.12758	3.6
239.18059	4.0
247.20528	3.3
257.19019	12.2
267.15955	17.5
275.20059	100.0
283.15506	2.8
285.17020	10.0
291.19635	4.2
293.21109	10.4
316.38583	2.7
349.23724	37.3
353.18820	3.3
355.17520	4.0
356.89542	2.6
429.20941	11.5
541.35394	35.7
559.36346	21.4
703.40375	28.6
721.39063	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	720.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	12.5
55.01868	22.7
55.05510	55.9
57.03432	33.0
59.04994	4.0
61.02917	13.6
65.03929	6.9
67.05505	100.0
69.03416	18.0
69.07069	28.6
69.56754	21.3
69.57169	13.6
71.01362	5.4
71.04981	14.6
72.04905	3.9
73.02895	12.8
79.05073	5.8
79.05492	86.3
80.05788	4.4
81.03419	59.5
81.07056	88.5
83.04970	30.6
83.08614	35.3
85.02907	28.5
85.06535	5.7
91.03951	4.8
91.05481	73.5
93.07044	55.5
95.04964	52.4
95.08611	35.4
97.02884	19.5
97.06522	15.8
97.10173	37.7
98.07329	8.2
99.08064	7.0
105.07022	38.9
107.04933	25.7
107.08588	49.1
109.02862	7.9
109.06495	15.9
109.10150	38.8
111.04448	7.0
111.08066	12.4
116.04696	14.4
117.07044	23.6
119.08581	29.3
121.06471	13.2
121.10152	23.3
123.08041	11.4
125.06010	5.3
125.09636	32.3
126.62881	4.1
127.03913	7.4
129.05467	33.5
129.07005	15.9
131.08571	36.7
133.10135	25.1
135.08037	9.8
135.11664	13.5
137.09587	6.6
143.07091	7.0
144.63242	4.6
145.06429	6.5
145.10101	15.1
147.08060	9.3
147.11694	14.9
149.09616	8.9
149.13293	5.8
153.09096	4.7
157.08592	13.6
157.10045	4.8
157.81396	4.0
159.11711	9.9
161.09666	6.4
163.11172	17.5
169.10106	9.8
173.11743	10.7
173.13126	5.2
175.11185	10.6
177.12770	14.4
187.11186	9.7
189.11256	23.0
191.10616	4.5
193.12216	15.4
199.13306	6.5
205.12204	10.1
209.11728	12.7
211.13312	10.3
223.13284	90.5
227.12837	23.9
229.14357	15.1
232.43137	5.0
265.14078	4.3
267.15933	23.9
275.20175	6.0
283.15359	19.7
285.16962	10.1
297.16937	70.7
301.16458	62.6
417.80981	4.5
421.25998	10.0
455.26538	7.3
489.28409	16.5
491.25986	7.9
507.29211	5.9
523.28485	56.5
558.34955	6.5
720.39893	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	720.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.5
55.01864	5.9
55.05509	21.0
57.03440	19.3
61.02907	5.4
65.03928	4.9
67.05511	58.7
69.03414	10.2
69.07070	22.7
71.04975	10.9
79.05492	53.2
81.03417	100.0
81.07054	61.0
83.04987	29.6
83.08617	28.3
85.02901	40.4
91.04965	5.8
91.05479	62.5
93.07043	54.1
95.04967	35.7
95.08603	32.9
97.02900	12.6
97.06539	13.7
97.10165	6.2
97.36353	3.7
98.20715	7.0
105.06367	6.0
105.07029	42.3
107.04928	18.3
107.08581	24.7
109.02872	5.1
109.06530	9.4
109.10131	11.8
111.08073	12.4
113.05924	3.9
117.07046	11.5
118.97287	4.2
119.08582	36.0
121.06486	11.9
121.10151	16.1
123.08098	7.8
127.03931	4.2
129.06989	20.9
131.08562	15.4
133.06483	5.4
133.10132	25.2
135.08037	5.1
135.11717	8.3
137.09550	4.1
142.07817	3.9
143.08583	7.7
145.10121	5.2
147.08069	5.2
147.11705	14.4
149.09625	6.6
157.10141	15.7
159.11626	6.8
161.09555	4.4
163.11240	5.9
165.12761	3.7
175.11130	17.8
175.14798	6.3
185.13290	6.4
192.10942	3.9
193.12274	38.1
202.64278	4.3
211.13280	62.7
221.15343	54.6
234.45090	3.5
239.16393	66.2
267.15955	32.5
283.15250	5.6
285.16980	70.8
295.19116	13.9
313.20050	38.8
413.27029	7.6
487.30386	13.5
505.32019	21.2
517.45746	3.8
523.32941	74.7
534.29926	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.8
55.01869	18.6
55.05513	41.5
65.83743	6.4
67.05501	100.0
69.03424	21.1
69.07069	38.8
71.04982	15.9
79.05483	89.6
81.03425	40.1
81.07059	91.6
83.04959	21.1
83.08615	16.5
85.02905	10.5
91.03944	9.1
91.05467	88.4
93.07037	85.5
95.04971	22.9
95.08604	56.1
97.02901	14.1
97.06516	21.0
97.10192	7.7
105.07036	76.8
107.04953	25.9
107.08563	35.2
109.02859	12.6
109.06528	10.2
109.10144	19.6
111.04453	10.3
117.07027	25.4
119.08563	47.5
121.06511	7.0
121.10164	23.0
123.11726	7.6
127.03876	6.6
129.07005	23.4
131.08530	37.9
133.10101	55.3
135.11652	13.6
137.09663	7.7
141.07013	8.0
143.08598	19.5
145.10118	33.3
147.11688	33.4
149.13254	9.8
155.08572	13.7
157.10123	25.2
159.11678	25.8
161.13275	28.9
163.11182	9.4
169.10120	21.5
171.11681	30.2
173.11816	7.6
173.13263	22.7
175.14769	9.5
181.10173	14.3
183.11731	12.9
184.07314	8.5
185.13269	11.1
189.12805	7.7
193.10222	8.3
195.11716	10.3
197.13156	10.9
199.14879	10.3
241.19591	11.4
259.20584	21.7
275.20120	40.8
279.16083	10.4
281.17474	24.7
284.86139	7.2
333.24280	13.4
437.33710	11.7
447.32700	13.1
456.84131	7.2
465.33749	12.8
529.38580	12.3
539.37317	87.8
557.38434	51.9
701.42200	13.9
719.42786	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	719.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	3.1
53.03942	11.8
55.01871	17.7
55.05265	4.2
55.05510	46.5
57.03423	12.1
57.07070	4.5
61.02903	3.7
65.03935	5.1
67.05502	85.6
69.03429	35.5
69.07072	30.4
70.71297	9.2
71.04984	13.3
72.71817	2.6
73.02914	6.5
79.05064	5.1
79.05495	70.6
81.03415	100.0
81.07053	77.2
83.04978	27.9
83.08612	30.8
85.02905	22.6
85.06545	3.7
91.05479	63.4
93.07042	62.6
95.04968	35.6
95.08602	34.5
96.08884	2.8
97.02889	32.6
97.06509	19.6
97.10173	17.8
99.04454	13.1
105.07027	56.7
105.65346	3.1
107.04926	18.3
107.08595	39.5
109.02863	21.7
109.06519	16.1
109.10162	24.4
111.04430	14.6
111.08079	8.7
113.05991	3.6
113.10728	3.2
115.05475	5.0
116.23656	3.1
117.06990	23.9
119.08572	42.7
121.06504	11.5
121.10145	22.1
123.04423	4.1
123.08056	13.9
123.11719	4.3
125.09619	16.0
127.03904	14.9
127.10548	3.3
128.06178	5.9
129.05428	2.8
129.06979	19.1
131.08574	34.3
133.06514	9.8
133.10121	29.0
135.04372	3.1
135.08070	9.4
135.11717	14.0
137.09587	5.7
140.92276	3.0
141.06972	4.9
142.07773	5.1
143.08559	10.8
144.59290	3.4
145.06526	4.2
145.10100	23.6
147.08051	10.9
147.11659	18.2
149.09615	12.3
151.11171	8.5
153.12747	6.0
155.08485	7.1
157.10161	12.6
159.08014	5.9
159.11656	11.1
161.06082	4.6
161.09647	5.8
161.13193	3.5
163.11185	20.5
165.12823	5.2
169.10136	5.6
171.11656	3.6
173.04485	10.8
173.09618	9.0
173.13240	4.9
175.11212	11.1
177.12770	4.1
179.10664	3.1
181.12268	5.3
183.11624	4.4
187.11153	6.5
189.11266	6.9
191.10609	6.6
193.12256	19.4
195.11853	3.3
195.13867	3.8
199.11172	3.6
201.12688	3.1
209.11667	5.2
211.13235	30.4
212.62755	2.9
213.12892	3.4
223.13255	6.9
227.12781	20.3
229.14308	8.0
230.23302	3.0
237.16379	3.5
242.87198	3.0
245.18971	4.1
247.13316	3.2
249.14868	4.1
253.14401	6.6
257.15582	4.0
257.18970	6.3
267.15973	9.8
273.18552	19.8
275.20099	30.7
283.15411	10.1
291.19504	47.1
313.21616	4.6
329.21368	3.6
331.22842	3.6
347.22391	6.7
349.23752	7.7
351.50235	3.4
355.17395	3.4
365.23315	3.7
371.22034	3.7
423.27350	3.0
423.46408	2.9
424.27451	7.0
435.02084	3.4
465.29648	3.2
483.31296	4.6
500.06210	3.2
528.37762	2.9
535.53326	3.4
539.33630	13.1
551.48688	2.9
557.34735	32.0
559.36847	3.2
575.35834	5.8
618.38391	3.6
636.85828	3.6
683.38013	4.0
701.38397	13.7
719.39996	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96535	1.3
58.31502	1.1
69.03429	3.1
71.56429	1.6
81.03405	3.2
85.02897	2.4
89.03893	3.0
95.04948	1.8
96.09628	1.2
97.02875	2.5
98.97575	2.3
101.00866	2.8
103.75795	1.3
109.02888	2.9
110.99264	1.1
116.98602	3.4
117.03404	2.9
118.63173	1.1
119.01144	1.9
119.01910	22.2
127.03918	2.0
131.01939	7.0
134.99640	2.0
135.04414	10.6
135.66685	1.1
137.02943	5.3
143.01894	11.8
145.02699	5.2
145.03500	7.7
146.99648	1.9
147.01331	1.7
149.02927	2.3
153.01834	5.8
155.01894	8.6
157.03459	6.7
161.02931	20.6
163.03877	81.8
167.01942	4.5
169.03461	4.6
171.04967	4.0
171.15868	1.3
173.02948	24.7
177.00665	1.3
179.01843	1.9
179.39511	1.4
185.02951	37.1
187.04543	9.3
197.02959	15.8
201.00697	2.3
203.04010	13.9
209.02953	2.7
211.04469	1.5
215.03981	13.7
219.01714	1.8
221.02950	43.4
221.04900	2.3
227.03961	7.5
229.01340	1.6
233.04974	2.3
237.02730	3.2
239.03979	19.7
243.05119	1.4
244.04453	1.7
245.05060	100.0
246.05234	2.8
247.02336	1.3
247.04655	2.7
257.05060	16.1
258.05249	1.5
259.02316	2.4
261.04593	1.9
263.03986	2.1
263.06219	10.5
271.04489	17.9
273.06082	3.2
275.01733	1.6
275.06213	10.5
277.03256	6.5
281.04974	2.7
285.06055	2.3
286.07864	1.7
287.03934	4.8
289.05563	10.4
291.03568	1.4
293.07132	5.3
295.06824	2.4
299.03650	2.7
299.06555	1.6
303.01382	7.1
305.07339	13.7
307.06516	3.3
313.05530	5.1
315.03607	1.5
315.07111	1.6
316.08835	1.2
317.04895	3.2
323.06174	3.7
329.04822	1.4
331.06601	6.6
333.07983	2.4
335.08380	2.4
347.06076	2.0
349.07669	11.1
351.05563	2.3
359.06097	5.0
365.09628	6.0
367.08786	1.8
369.06546	2.1
377.07095	21.0
394.99591	1.3
395.08252	12.1
413.08673	1.4
418.09579	1.3
419.08203	5.3
437.09286	97.6
438.09280	2.8
449.09167	11.1
455.10187	11.6
461.09201	4.3
467.10333	3.7
473.09058	1.5
478.11691	2.7
479.10342	9.3
503.09732	1.6
509.11124	2.3
521.11066	6.4
539.12555	9.2
557.13538	1.7
719.19122	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	14.1
53.32281	2.7
55.01874	17.1
55.05508	50.1
57.03428	16.0
57.07076	5.8
59.04993	2.9
61.02902	2.8
65.03937	7.6
67.05501	80.6
69.03423	34.2
69.07069	27.8
70.19197	13.6
71.04987	14.7
71.08620	5.0
73.02920	7.2
79.05059	5.6
79.05491	67.9
79.05911	5.6
81.03416	100.0
81.07053	89.1
83.01360	2.9
83.04978	29.7
83.08620	21.0
85.02894	18.4
85.06570	4.6
87.04427	5.9
89.06036	16.7
91.05480	61.4
93.07046	63.5
95.04963	40.2
95.08602	42.1
97.02888	26.8
97.06536	14.9
97.10191	14.4
99.04461	10.4
105.03385	3.4
105.07026	49.1
107.04949	23.7
107.08589	42.2
109.02869	18.0
109.06493	15.9
109.10131	23.7
111.04444	10.9
111.08078	8.1
113.06042	3.3
115.03976	2.8
115.05470	2.9
117.07005	25.7
119.08579	43.4
121.06507	15.3
121.10146	21.9
123.04475	3.3
123.08070	13.7
123.11704	7.9
123.73713	2.8
125.06059	2.7
125.09623	13.8
125.58765	2.5
127.03894	19.2
128.06198	5.1
129.07021	17.9
131.04906	5.2
131.08566	35.7
133.06493	10.2
133.08621	7.1
133.10121	27.1
135.08034	12.7
135.11679	16.8
137.05908	3.6
137.09648	9.0
141.06943	4.1
143.08533	14.1
145.06444	4.7
145.10109	31.3
147.08037	8.9
147.11670	14.1
149.05988	2.8
149.09619	12.1
149.13313	6.5
151.11169	8.8
153.12749	10.7
155.08513	6.7
157.10107	10.0
159.08086	5.7
159.11665	15.0
161.09631	6.9
161.13232	6.0
163.11192	16.8
165.12741	4.3
167.08575	3.8
169.10152	6.8
171.08156	3.7
171.11662	7.4
173.04468	23.9
173.09665	7.1
173.13229	5.0
175.11302	5.0
177.12704	4.2
179.14268	2.5
181.10089	3.3
181.12230	6.1
182.12425	2.6
183.11688	8.4
184.07344	2.7
187.11255	5.0
189.11220	6.3
191.10701	3.6
193.12265	11.7
195.11713	5.4
197.13303	4.6
199.05933	2.9
199.11215	3.9
199.16919	36.9
200.17355	6.1
201.12817	3.5
203.10579	3.9
207.11761	3.2
209.11731	4.0
211.11490	3.1
211.13332	12.2
227.12721	15.2
227.17899	2.7
230.00043	2.8
233.15443	3.1
253.14359	3.2
257.18970	7.4
267.15930	7.2
273.18469	21.6
275.20059	36.9
277.14316	3.4
283.15372	16.4
291.19458	16.6
347.22241	3.7
349.23721	12.6
353.15964	5.0
365.23410	4.3
395.20752	6.1
427.19473	3.6
477.27521	3.4
539.33472	10.5
542.76331	3.0
557.34625	32.3
562.86017	3.1
575.35779	4.5
621.32629	5.7
683.37567	5.0
701.38391	5.8
719.40131	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01863	1.5
55.05264	1.7
55.05508	23.7
56.11876	1.0
57.03434	15.1
57.07072	8.0
61.02901	4.4
65.03930	1.6
67.05502	31.0
69.03416	4.2
69.07064	28.6
71.04998	5.1
71.08615	2.5
71.58576	1.5
73.02904	1.3
73.06572	1.1
79.05064	1.8
79.05490	25.8
81.03416	48.3
81.07052	36.0
82.03712	1.0
83.04969	11.8
83.08146	2.1
83.08614	34.0
85.02902	25.7
85.06521	2.1
85.10159	1.8
86.09697	2.0
91.05480	24.3
93.06480	1.4
93.07040	23.3
95.04960	21.5
95.08597	22.1
97.02873	4.7
97.06512	5.6
97.10167	11.8
99.08070	1.5
105.07030	18.8
107.04950	8.2
107.08595	12.0
109.02896	1.2
109.06535	4.9
109.10139	5.4
111.04453	1.5
111.08055	9.7
111.11718	2.6
113.05977	2.2
115.05441	1.7
117.06995	1.3
119.08591	14.3
121.10133	16.8
123.08038	2.0
123.11690	3.7
125.09593	2.7
129.07011	7.1
131.08542	10.5
133.06494	1.7
133.10147	7.4
135.11705	7.3
137.09583	1.1
137.13255	1.9
142.07761	2.5
145.10054	2.0
147.08060	3.6
147.11678	9.5
149.09625	6.4
149.13181	2.4
157.10141	11.3
165.12691	2.7
175.11176	13.2
184.07341	3.4
193.10442	1.3
193.12236	40.3
211.13286	64.5
237.22107	2.9
242.12337	1.0
267.15900	19.5
285.16956	69.7
286.17245	1.9
311.25772	77.5
312.25980	1.5
503.37332	12.4
521.38361	100.0
522.38477	5.2
718.46674	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	718.465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13242	0.4
54.74551	0.4
56.05017	0.8
60.07878	0.5
60.08160	5.9
71.07383	2.9
71.58374	0.3
71.58788	0.6
72.28336	0.4
78.45080	0.3
86.09705	31.1
87.86658	0.3
98.98454	3.8
104.10732	1.9
125.00006	18.7
142.99207	0.4
163.15350	0.3
184.07335	100.0
211.40318	0.4
248.91917	0.4
256.85275	0.4
298.48911	0.4
395.57028	0.4
718.46771	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	718.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	21.1
67.05495	14.1
71.08618	23.2
72.14588	11.0
81.07046	12.1
83.04978	17.4
85.10138	14.4
93.54073	11.3
125.05927	13.8
163.11201	17.5
181.12230	23.9
184.07361	14.4
199.34285	11.6
222.10886	14.5
229.46840	14.4
249.70595	12.6
259.68420	15.8
283.15430	100.0
313.27396	78.8
378.29727	11.9
400.22272	14.9
521.38141	52.7
718.46887	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	717.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.9
55.05507	2.1
57.03417	2.1
59.64164	1.0
61.02909	4.0
67.05508	6.2
68.54100	1.0
69.03411	3.2
69.07054	1.3
69.46233	8.7
69.97289	0.9
71.04963	1.2
73.02899	2.9
78.74120	1.1
79.05498	5.2
81.03382	2.7
81.07063	4.8
83.08601	1.2
85.02889	4.3
86.09714	2.1
91.03944	2.1
91.05466	3.2
93.07051	5.1
95.08590	4.3
97.02882	3.3
97.10147	1.3
105.06999	1.9
107.08614	3.1
119.08579	1.3
121.10151	2.2
122.33955	0.9
124.99991	1.3
127.03920	1.2
135.11700	3.9
145.10109	1.9
152.17053	0.9
163.11162	2.2
181.48741	1.0
184.07341	4.8
185.07666	1.7
195.00285	1.2
204.63368	1.0
216.87007	1.1
283.15320	4.6
284.15720	2.4
311.25903	2.3
312.26224	1.6
439.19540	9.6
519.29236	5.9
520.37134	2.5
537.16162	1.0
679.99005	1.0
717.41626	100.0
718.42297	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	714.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.6
58.06615	0.4
60.07887	0.4
60.08163	6.0
67.05487	0.9
69.89065	0.5
69.89466	0.8
71.07035	0.4
71.07376	4.2
79.05486	0.4
81.07033	0.7
86.09702	30.5
87.10019	0.3
91.05460	0.4
93.07043	0.4
95.08597	0.3
98.98470	3.2
104.10739	2.7
105.06997	0.3
116.99442	0.3
124.99999	20.5
143.01071	0.6
184.07332	100.0
185.07695	0.3
237.68375	0.3
240.76451	0.2
259.61169	0.3
349.90237	0.3
600.89264	0.3
621.96680	0.3
707.74640	0.2
714.37012	0.3
714.47174	2.7
733.22754	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89975	1.7
53.03929	1.5
55.01864	4.9
55.05309	1.6
55.05509	15.8
55.66891	1.8
57.03432	10.7
57.07067	4.1
59.04976	1.9
60.08152	2.0
61.02917	5.7
67.05502	17.7
69.03442	3.8
69.07068	17.0
71.04976	3.2
71.07343	2.6
73.02885	2.5
79.05481	12.9
81.03404	8.0
81.07053	20.2
83.01350	6.7
83.04983	3.7
83.08611	16.5
85.02889	7.7
85.06499	1.9
86.09698	15.1
91.05463	6.3
93.07042	18.8
95.04924	3.1
95.08616	11.6
97.02866	4.9
97.06525	4.2
97.10170	7.1
98.20722	4.6
98.98454	1.9
99.08073	2.2
105.07026	5.8
107.04949	4.0
107.08616	9.2
109.06526	1.7
109.10147	4.7
110.73105	1.7
117.06981	3.9
119.08571	4.0
121.10160	9.7
123.08067	5.4
123.11658	3.6
125.00031	10.5
125.09602	2.6
129.06993	1.7
133.10136	2.3
135.11722	10.5
142.51959	1.6
145.10130	9.3
149.13289	2.9
153.12726	2.2
163.11192	12.0
169.06662	1.7
173.09631	3.7
181.12189	2.5
184.07349	43.1
185.07640	8.8
186.07794	3.6
195.00308	3.3
209.11694	5.5
219.05847	1.8
225.53293	2.0
227.12733	5.0
283.15387	100.0
284.15540	1.9
311.25800	63.4
519.36890	42.5
520.36639	2.1
544.36755	3.5
604.26801	1.8
717.41840	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01874	1.6
57.03423	1.3
66.00111	1.1
67.05514	3.0
69.03423	6.6
70.90786	1.2
71.58195	1.8
73.02906	2.0
79.05504	2.5
81.03411	3.5
81.07025	1.9
85.02909	5.6
86.47882	1.1
91.05479	3.4
93.07051	2.4
94.06569	4.0
95.05001	2.0
95.07338	1.9
96.08132	3.7
97.02880	2.8
107.08584	1.1
108.08087	6.4
109.02883	2.2
110.09684	5.7
111.91489	1.2
120.04458	2.9
120.08110	6.9
122.06042	6.9
122.09674	3.1
124.07625	1.3
127.03859	2.0
131.04938	1.8
134.09628	1.6
136.07573	8.7
137.05962	2.7
138.09135	11.7
148.07562	6.7
150.09149	8.0
152.07018	1.5
153.01848	2.8
164.07054	2.2
166.08636	22.8
167.07025	1.9
194.08173	2.2
209.10666	1.9
223.08795	1.7
223.12491	1.8
224.09459	1.5
225.10304	3.7
227.11807	2.6
233.10757	1.4
235.08614	2.2
237.10258	11.4
238.11038	2.3
239.11865	5.5
248.09380	2.5
249.10291	8.4
250.11057	3.6
251.08189	4.8
251.11819	9.6
252.08727	1.4
252.12604	2.2
253.09657	8.4
255.11281	4.8
261.10275	7.2
262.11060	2.4
263.11743	8.1
265.09677	17.7
266.10422	2.1
267.11261	9.6
268.12030	1.5
269.12820	2.3
271.10791	2.7
273.12589	2.0
277.09756	4.3
278.07065	1.4
278.10458	5.9
279.07791	3.7
279.11215	18.6
280.12018	4.4
281.09229	4.2
281.12787	2.4
282.10025	1.8
283.10736	8.9
285.12503	1.5
287.13916	1.5
289.09689	13.7
290.10495	2.0
291.11368	4.9
293.09210	7.4
293.12897	5.2
294.09979	3.3
295.10754	4.3
296.11575	3.8
297.08920	1.4
297.12341	2.8
299.10110	1.5
307.10794	6.6
308.11551	3.0
309.12317	4.8
311.10208	7.2
311.13901	3.8
312.11118	3.8
313.11801	3.9
317.09131	1.3
321.08847	1.7
323.10336	2.8
323.13986	3.4
324.11087	2.9
325.11841	4.4
326.12650	3.8
327.13306	6.6
335.10242	24.0
337.11758	3.3
339.10043	2.4
339.13388	62.2
340.10345	6.1
341.11255	7.2
341.14944	2.1
353.11356	18.7
354.12259	6.2
355.12915	21.0
367.12894	49.1
414.18002	1.7
442.17535	1.4
460.18845	7.2
470.17221	1.9
472.18561	1.7
474.20187	2.7
478.19754	2.0
488.18176	37.0
492.21429	1.7
502.20184	1.5
506.19128	25.6
520.20758	30.1
622.23267	3.3
632.22736	2.1
650.23511	14.4
654.26398	2.0
682.26019	100.0
683.26044	2.9
714.27557	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	713.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.7
54.01423	0.4
55.01868	0.8
55.05506	0.8
57.03434	1.3
59.04971	0.5
59.64825	0.3
61.02930	4.1
67.05514	3.5
69.03428	2.6
69.07072	0.8
69.47688	3.7
71.01350	0.4
71.04997	3.1
73.02912	3.5
79.05489	2.6
81.03413	3.7
81.07069	4.4
83.05009	1.5
83.08641	1.3
85.02888	5.2
85.03273	0.4
91.03964	2.9
91.05489	2.9
93.07050	2.8
95.04981	1.7
95.08613	1.0
97.02895	3.8
99.04454	0.8
101.02399	1.5
103.03992	0.5
105.07019	2.3
107.04950	0.6
107.08614	1.2
109.02882	0.9
109.10188	0.8
111.08095	0.9
117.07033	0.4
119.08579	1.3
121.06548	0.6
121.10178	1.2
123.11696	1.0
127.03979	1.4
127.32603	0.4
129.06970	0.6
131.08569	1.2
133.10130	2.4
135.11667	0.7
145.10152	0.4
147.11707	0.5
149.09668	0.6
151.11205	1.2
157.10208	0.6
159.11740	0.6
161.23564	0.4
175.11198	0.6
187.13310	0.6
193.12305	0.6
214.00627	0.5
243.08440	2.2
251.12485	0.5
267.15826	1.5
273.51785	0.4
323.18350	0.6
331.56958	0.4
401.70740	0.4
453.21390	1.3
469.20538	6.3
485.23505	4.9
501.23126	0.6
639.02313	0.5
713.37256	100.0
714.37634	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74268	0.1
54.00227	0.1
54.89592	0.2
56.05032	0.7
58.06624	0.4
60.08160	6.3
67.05524	0.4
71.07371	3.6
74.85058	0.2
79.05485	0.3
81.07049	0.4
86.09702	32.5
87.10011	0.2
93.07048	0.3
98.98457	3.9
104.10719	2.2
105.07014	0.2
107.08601	0.2
123.95496	0.1
124.99998	22.0
143.01044	0.5
170.24155	0.2
184.07330	100.0
185.07674	0.6
229.78960	0.1
262.84222	0.1
300.83173	0.2
452.23920	0.2
712.45557	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82233	1.2
53.03934	3.4
55.01857	1.5
55.05508	13.4
57.03434	18.1
57.07068	3.7
61.02920	2.9
61.18579	1.1
65.03930	2.8
67.05504	56.3
69.07068	15.5
70.71840	3.8
71.01337	3.1
71.04984	3.5
73.02905	1.2
76.06077	1.2
79.05492	46.1
81.03397	2.8
81.07055	41.4
83.04967	7.9
83.08600	6.6
85.02892	2.6
85.06509	2.6
91.05473	23.1
93.07040	59.0
95.04966	6.1
95.08600	25.6
97.02921	1.3
97.06532	10.2
97.10176	9.1
99.04455	1.3
99.08095	1.8
105.07028	13.0
105.19659	1.2
106.91575	1.1
107.04928	1.2
107.08595	35.4
109.10138	13.6
111.08058	2.6
117.07021	5.4
119.08575	9.8
121.10137	14.2
123.11697	2.4
125.09611	2.1
131.08557	7.2
133.10136	8.6
135.11690	48.8
135.12723	2.6
136.12021	1.4
137.09605	1.4
145.10121	11.0
147.11641	2.3
149.13252	4.6
159.11649	3.4
161.13223	2.0
163.11197	4.8
163.14818	1.3
173.13210	3.7
181.12239	12.1
184.07329	2.0
199.13277	2.0
243.21077	3.9
253.14409	2.4
255.15912	100.0
256.16196	2.8
261.22137	14.3
277.62201	1.1
283.34866	1.1
315.66678	1.3
317.24780	3.4
335.25781	48.7
336.26166	3.1
405.31738	1.4
423.32593	3.4
515.37317	63.2
516.37524	4.4
533.38147	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	713.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37023	0.7
55.05505	0.8
66.92849	0.8
66.97517	0.6
67.05502	0.8
68.89553	0.7
69.03429	0.9
69.33692	6.2
72.05369	0.7
73.02898	0.9
73.28000	0.7
74.48138	0.6
79.05486	0.8
79.07868	0.7
79.60387	0.7
81.03404	1.4
81.07048	1.0
85.02887	1.0
91.05473	1.5
91.06017	0.7
95.08626	1.2
97.02896	1.2
97.62184	0.7
105.07051	1.2
137.06023	1.0
147.11638	0.7
267.09091	1.6
285.10107	1.9
467.19138	0.9
469.20349	1.0
485.17795	2.4
681.64075	0.7
695.32709	2.5
713.31567	100.0
714.32410	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	713.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65914	0.6
52.85180	0.6
55.01873	1.3
55.05505	1.9
57.03434	2.8
61.02929	4.1
67.05506	3.0
69.03427	2.9
69.07053	1.1
69.40129	5.5
71.05006	0.9
71.32049	0.7
73.02912	3.5
79.05494	2.8
81.03426	4.0
81.07069	2.1
83.01085	1.3
83.04975	1.1
83.08636	1.3
85.02907	6.6
86.09704	0.7
86.25612	0.7
90.07319	0.7
91.03951	4.0
91.05487	2.5
91.91669	0.6
93.07049	1.7
95.01059	0.8
95.04967	1.7
95.08602	0.8
96.01849	0.9
96.02914	0.7
97.02909	4.7
97.06545	0.7
99.04440	1.2
101.02381	1.9
103.03936	0.9
105.07024	1.3
107.08616	1.4
108.37413	0.6
109.02872	0.9
109.10200	0.6
111.08093	0.8
114.84242	0.6
115.03941	1.0
115.85723	0.6
117.05517	1.2
119.08605	1.1
121.10156	1.4
123.04209	1.2
125.09584	1.3
127.03957	3.4
129.05472	2.5
131.08569	1.0
133.10155	1.1
139.79878	0.6
141.62936	0.7
145.05009	1.4
147.11713	1.2
149.09720	0.7
163.11427	0.7
167.07030	0.7
175.11241	0.9
181.04802	1.6
184.07436	0.8
185.04189	8.1
185.05743	0.9
193.12267	1.8
199.05742	1.7
199.13297	1.4
201.03804	2.9
201.07623	0.8
211.13303	1.1
221.11475	1.1
227.05243	1.3
241.06891	1.3
243.08394	6.4
251.12556	4.9
259.07669	0.8
277.14215	2.5
286.85870	0.7
291.15765	1.8
301.08932	21.1
307.15402	0.9
313.09164	0.8
315.10504	5.1
327.10480	1.6
329.11957	1.7
341.12234	1.1
343.13571	2.1
349.16125	4.5
357.15308	1.0
367.17438	1.9
369.15015	1.2
371.16895	1.0
373.11008	7.9
383.16837	4.8
385.18311	11.4
387.12531	2.3
395.16818	4.6
401.14404	1.3
427.19901	0.7
429.17380	2.8
433.25720	2.8
439.19632	2.5
441.20941	1.3
443.18829	7.5
444.19907	0.8
457.20447	3.2
467.19183	1.1
469.20428	23.4
470.20981	0.8
479.25882	1.2
483.22168	0.9
484.19025	1.6
485.19489	7.0
499.21280	6.0
500.22318	1.2
511.21762	2.0
527.28314	1.8
528.21796	8.9
536.58130	0.7
541.22528	13.2
555.23792	3.4
569.24939	3.5
583.30292	2.2
595.30786	0.9
597.28009	1.3
611.30359	11.5
612.31213	7.4
625.31757	1.2
651.33594	2.0
653.31244	2.4
667.32660	3.1
695.33020	3.5
696.33276	2.1
713.33380	100.0
714.33936	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	711.356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22231	0.7
52.02501	0.6
53.03935	1.2
55.01867	0.9
55.05503	2.1
55.19934	0.8
57.03418	2.2
61.02923	4.5
67.05506	7.1
69.03434	3.3
69.07067	1.7
71.04994	3.7
71.58091	0.7
71.58502	1.0
73.02908	3.0
77.03177	0.6
81.03415	3.9
81.07050	7.7
83.01340	0.9
83.04971	1.9
83.08620	2.3
85.02888	5.0
91.03957	3.0
91.05472	3.7
93.07024	4.8
95.04969	1.7
95.08600	2.2
97.02890	4.3
97.06549	1.5
97.74364	0.7
101.02369	2.7
105.07016	2.5
107.04984	1.2
107.08585	3.4
109.02953	0.6
109.06506	0.7
109.10146	2.6
116.21859	0.6
116.52840	0.7
117.07063	0.9
119.08566	1.7
121.10177	1.3
123.08083	0.9
127.03912	2.2
129.06953	0.9
133.10155	1.5
135.11699	2.0
145.10159	1.5
149.13232	1.2
151.11201	0.8
159.11717	1.2
163.11174	1.9
178.20699	0.7
181.12248	0.8
191.10695	0.7
205.82976	0.7
243.08473	2.4
256.93155	0.7
267.15668	1.1
269.17648	1.3
275.74918	0.7
283.15308	1.0
467.18823	7.2
468.19513	0.8
485.23309	5.5
496.29932	1.1
522.42932	0.7
549.32086	1.6
553.15466	0.9
594.21625	0.8
711.35577	100.0
712.36072	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	711.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01847	0.9
55.05496	2.9
56.96567	1.9
57.03431	3.0
61.02924	1.0
67.05506	9.9
69.03422	2.4
69.07056	2.7
69.93369	3.0
69.93772	1.5
71.04987	1.1
73.02910	2.0
81.03430	4.5
81.07052	8.9
83.04979	2.6
83.08620	1.8
85.02889	4.1
85.06535	1.0
86.09692	2.7
91.03977	1.3
91.05479	5.2
93.07022	5.2
95.04948	2.9
95.08596	3.0
97.02873	3.3
97.06516	1.7
97.10146	0.9
98.21412	1.1
105.07013	3.3
107.04951	1.0
107.08616	4.6
108.00925	0.8
109.06512	1.8
109.10139	5.0
111.08048	1.6
117.07030	1.2
119.08554	1.4
121.06456	1.3
121.10130	1.3
125.09577	1.8
127.03907	0.9
131.08572	2.9
133.10146	3.6
135.11703	2.5
145.10146	1.8
149.13217	0.9
151.11104	1.0
152.11328	1.0
154.07515	0.8
163.11197	2.3
184.07361	3.4
193.12250	1.7
209.11787	2.1
211.13289	1.7
253.14418	4.5
254.14694	1.5
255.82285	0.9
267.09027	1.5
267.15939	1.4
269.17490	2.2
270.17737	1.6
285.10217	2.9
301.09460	1.4
424.28015	1.5
446.26334	1.2
464.27466	1.5
467.18967	2.1
471.67508	1.0
477.28360	1.4
478.28546	1.2
483.16397	1.2
495.29907	1.5
496.29858	3.0
693.30505	3.2
711.29926	100.0
712.30048	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	711.319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47388	1.3
51.02382	1.1
51.38879	1.3
53.03933	1.6
55.01855	5.2
55.05504	9.8
56.05824	1.5
57.03434	8.6
61.02921	7.4
67.05500	27.3
68.05835	3.2
69.03409	5.8
69.07066	7.9
69.21514	1.6
71.04977	3.2
71.28303	2.3
71.28651	1.8
71.91003	1.4
73.02900	3.8
79.05486	15.9
80.05805	1.5
81.03410	9.1
81.07050	23.6
82.07387	4.2
83.01104	2.2
83.04984	4.0
83.08610	8.1
85.02905	11.6
85.06534	2.6
86.09701	2.6
87.04472	1.6
91.03942	5.5
91.05470	10.1
93.07040	12.8
95.01102	2.2
95.04954	3.6
95.08604	9.2
97.02894	8.4
97.06522	5.5
97.10147	2.7
99.04435	2.8
101.02361	2.7
105.07049	6.2
107.04942	1.8
107.08593	10.9
108.08921	1.5
109.02888	2.7
109.06512	2.1
109.10146	10.2
110.10429	1.9
111.04431	1.6
111.08102	3.0
117.06984	2.6
119.08572	4.3
121.10129	5.0
123.04414	1.4
123.08018	1.6
123.11677	2.0
125.00001	3.7
125.09618	4.5
125.80029	1.4
127.03910	4.5
129.05495	3.2
129.06961	2.0
131.08568	3.4
132.08801	1.6
133.10127	7.1
134.10460	1.6
134.34282	1.3
135.11691	4.8
137.09604	3.2
145.04915	1.5
145.10156	3.8
147.11702	1.5
149.09627	1.8
149.13248	5.2
159.11716	1.3
163.11150	3.6
173.11722	3.2
176.11644	1.4
177.12784	1.4
181.04744	2.1
184.07349	13.5
185.04227	9.8
185.07684	2.0
195.13815	2.8
196.14113	1.6
199.13275	1.6
201.03629	4.7
203.05194	1.9
209.11694	1.6
229.14400	5.5
230.14700	4.1
241.06729	1.7
243.08405	8.6
249.11005	3.7
259.07855	2.5
269.17551	9.8
270.17877	5.3
283.15378	2.9
285.17038	1.8
291.15656	2.2
301.08942	20.1
302.16714	2.3
315.10614	5.7
327.10471	2.7
337.16232	1.9
341.12225	1.3
347.14529	2.2
357.15421	2.3
365.15771	2.1
369.15219	3.3
373.10986	11.6
383.16806	4.2
385.18277	13.0
387.12491	2.6
403.24487	1.6
411.20087	1.9
423.27417	2.5
424.27747	7.9
429.17319	5.2
439.19217	3.7
443.18820	1.8
455.18497	3.8
457.20364	3.0
467.18842	19.4
471.22003	2.2
495.29547	1.6
496.29865	4.1
497.19998	7.2
498.20596	5.4
511.21011	3.0
539.20984	5.5
553.23334	1.4
567.23804	3.7
581.29504	19.2
582.30249	2.7
593.47711	1.6
609.28619	10.6
610.29688	1.9
651.30524	1.7
665.31244	4.2
666.32288	2.2
685.26587	1.8
693.30957	4.4
694.31116	2.3
711.31915	100.0
712.31763	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	21.4
57.03430	12.2
57.07073	11.1
61.02929	27.7
65.03933	4.4
67.05173	6.2
67.05505	71.0
69.07072	36.4
69.83779	9.0
69.84182	16.6
71.08625	4.0
73.02903	13.2
79.05483	25.9
81.07056	93.0
83.08624	21.7
84.45258	4.3
85.02914	27.2
86.09690	17.4
91.03938	25.0
91.05470	21.5
93.07054	29.2
95.08608	78.8
96.08968	4.0
97.02889	17.0
97.10162	21.0
105.07050	14.9
107.08595	18.8
109.10153	41.3
111.08082	6.6
111.11719	8.3
117.07080	4.9
119.08605	14.4
121.10141	28.1
123.11693	19.0
124.99998	7.3
125.09592	4.9
127.03921	12.6
127.11229	4.1
133.10126	18.2
135.11682	18.6
137.13245	10.4
145.04968	10.7
145.10091	4.2
147.11690	10.3
149.13326	9.0
161.13268	12.5
163.06015	22.7
163.14854	11.7
165.16373	5.3
175.14787	7.6
177.16425	10.3
179.17897	3.9
184.07321	47.8
189.16441	5.7
193.19621	5.7
259.24219	57.4
264.12189	5.3
277.25266	100.0
351.28943	83.4
369.29996	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	710.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82854	0.4
55.01855	0.6
55.05502	2.2
56.05033	0.6
56.96562	0.6
57.03431	1.5
58.06616	0.5
58.41154	0.5
60.08165	5.6
67.05504	4.5
69.03410	1.3
69.07050	1.7
69.37516	4.6
71.04995	0.9
71.07372	3.9
73.02959	0.4
75.23581	0.4
78.54704	0.4
79.05499	4.3
80.05853	0.4
81.03411	10.0
81.07059	4.8
83.04993	2.1
83.08609	2.3
83.87894	0.4
85.02887	2.3
85.06522	0.6
86.09704	31.2
91.05473	5.5
93.07058	4.0
95.04974	5.3
95.08593	2.0
97.02916	0.9
97.06493	0.9
97.10158	1.0
98.98448	3.7
104.10720	1.8
105.07020	3.5
107.04935	1.6
107.08565	2.0
109.02877	0.8
109.06515	1.4
109.10159	1.3
111.04423	0.8
111.08074	0.9
117.07024	0.7
119.08556	3.1
121.06558	1.0
121.10120	1.9
123.08070	0.5
123.11671	0.5
124.99998	20.3
125.09643	0.8
129.07002	1.7
130.42628	0.4
131.08562	2.2
133.06479	0.8
133.10094	2.4
135.08043	1.1
135.11681	0.8
137.05962	0.6
137.09636	0.5
145.10089	1.2
147.11676	2.0
149.09549	1.0
153.01804	0.9
157.10069	1.8
159.90584	0.5
163.11137	0.9
165.12720	0.5
175.11218	1.6
181.04904	0.5
184.07335	100.0
189.11099	0.6
193.12250	3.6
197.44960	0.5
209.11737	0.6
211.13303	3.4
212.87262	0.5
223.73784	0.6
267.15906	6.2
285.16962	4.7
294.61584	0.5
301.16614	0.5
385.23810	0.7
459.27310	4.3
477.28442	6.9
495.29282	3.1
632.67273	0.5
660.35168	7.5
710.41107	3.0
711.31213	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.8
55.05506	11.9
57.03436	13.3
59.33678	1.2
60.34099	1.0
61.02890	1.4
65.03948	1.1
67.05503	22.6
69.03414	3.9
69.07049	4.8
69.61848	4.9
69.62276	3.3
69.79082	1.1
70.06591	1.4
71.04979	4.3
73.02923	1.2
79.05490	23.1
81.03415	95.9
81.07062	23.0
83.04984	10.5
83.08614	20.4
85.02898	13.6
85.06535	2.7
86.09702	2.2
91.05473	26.7
93.07043	14.5
95.04969	32.7
95.08598	9.9
97.02890	4.2
97.06503	2.6
97.10170	6.2
98.20880	2.2
99.08119	1.3
105.07033	20.1
107.04958	10.0
107.08569	7.8
109.06499	5.7
109.10135	4.7
111.04453	2.3
111.08076	8.9
113.06020	1.8
115.05450	2.4
116.17274	1.2
117.07013	3.7
119.08588	16.8
121.06477	5.5
121.10139	10.2
123.08099	2.4
123.11732	1.3
125.09602	2.9
128.06230	1.5
129.06981	10.4
131.08566	13.8
133.06476	4.0
133.10114	9.4
135.08031	1.7
137.06000	1.2
137.09595	2.2
142.07776	2.8
145.06468	4.7
145.10101	2.7
147.08011	4.0
147.11679	12.3
149.09616	6.0
155.08582	2.6
157.06537	1.5
157.10118	16.0
161.05965	1.4
165.12776	3.7
167.07040	2.7
175.11160	13.1
184.07332	5.6
185.09576	1.4
193.12250	36.8
196.91164	1.2
211.13268	16.7
214.57237	1.1
219.13948	1.6
249.14818	2.2
255.13799	3.0
267.15903	100.0
268.16357	2.2
273.14923	4.2
285.16977	18.3
341.21191	1.3
349.21487	3.5
363.70724	1.4
367.22668	7.5
385.23737	12.1
403.24768	4.3
415.24356	1.5
433.25836	12.4
441.26419	3.7
459.27396	60.2
460.27728	2.6
477.28436	37.0
650.99011	1.4
710.41614	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	709.451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50843	3.2
53.03933	5.2
55.01865	6.5
55.05511	28.2
57.03434	9.7
57.07075	11.3
67.05502	100.0
69.03418	13.5
69.07063	20.5
69.77212	8.5
69.77618	16.1
71.04995	24.7
72.83781	3.7
78.86086	3.5
79.05487	43.1
81.03410	32.9
81.07051	64.0
82.69286	3.7
83.04968	22.9
83.08614	12.4
85.02924	4.0
91.05476	32.1
92.47829	3.8
93.07043	42.0
95.04963	11.7
95.08612	40.4
97.02868	6.7
97.06540	5.1
97.10132	5.7
99.04463	4.5
102.54630	4.0
105.07008	19.1
107.08596	18.0
109.06542	4.7
109.10146	68.8
111.08028	4.7
117.07001	7.3
119.08582	20.7
120.11827	3.8
121.10138	13.8
129.05484	9.1
129.07057	6.5
131.08556	16.4
133.10136	15.8
135.08093	4.5
135.11707	17.5
137.09538	7.7
143.08575	5.9
145.10135	8.7
147.07991	4.4
147.11647	10.4
161.13138	5.3
163.11215	9.8
173.04451	8.2
173.11742	16.1
184.07370	5.1
229.14297	9.5
249.81483	4.0
255.15895	9.4
255.23280	20.2
285.17084	4.5
335.25830	18.5
489.35791	35.9
491.37381	16.5
515.37207	6.6
537.37622	11.4
547.39978	23.1
659.41193	9.6
709.43854	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	708.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01866	1.9
55.05515	8.1
57.03431	9.6
57.07057	1.7
61.02913	1.1
65.03942	1.5
67.05501	28.1
68.03609	1.1
69.03419	2.3
69.07060	10.1
69.47546	4.8
69.47972	4.4
71.04983	3.8
72.09008	0.9
73.05685	0.9
79.05490	24.0
81.03413	58.7
81.07052	39.6
83.04967	4.5
83.08617	15.3
85.02904	2.5
85.06511	1.7
91.05473	18.8
93.07037	30.0
95.04961	16.5
95.08618	9.4
97.02876	3.1
97.06540	5.0
97.10163	2.6
99.08073	1.9
105.07020	10.7
107.04938	3.0
107.08598	15.5
109.06494	2.8
109.10151	2.3
111.08073	5.2
115.05382	1.0
117.07027	5.8
119.08579	7.9
121.06480	2.3
121.10152	11.0
123.08026	1.4
123.11704	2.2
129.07014	6.7
131.08578	9.3
133.06520	2.0
133.10136	7.7
135.11674	2.9
142.07846	1.2
145.10149	1.2
147.08040	1.9
147.11655	3.5
149.09608	3.4
149.13245	13.3
157.10118	5.7
159.11667	5.2
175.11179	4.9
177.12749	4.6
193.12215	13.7
195.13759	3.7
205.12114	1.2
211.13319	1.7
218.83163	1.0
234.02945	1.1
235.87830	1.1
249.14867	1.8
267.15894	49.6
268.16208	1.5
269.17459	40.9
435.27283	4.5
443.27844	2.6
453.28033	1.7
461.28970	100.0
462.29312	4.3
479.30048	3.1
511.32693	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.3
55.01855	2.9
55.05508	16.7
57.03233	1.2
57.03436	11.3
57.07071	1.9
59.04985	2.5
61.02905	4.5
64.83339	1.4
65.03929	3.8
67.05501	62.6
69.03407	4.7
69.07061	10.3
71.04990	25.4
71.55029	1.3
79.05487	33.9
81.03416	48.4
81.07050	100.0
83.04968	12.6
83.08617	20.0
85.02897	20.6
85.06541	9.6
91.05476	44.6
93.07035	25.2
95.04967	16.7
95.08608	14.4
95.15071	1.4
97.02882	4.6
97.06528	7.2
97.10149	5.3
99.08121	1.3
105.07024	29.9
107.04936	5.9
107.08584	13.8
109.06509	3.7
109.10144	8.9
111.04412	2.3
111.08080	9.4
113.06044	1.4
117.07003	3.8
119.08578	14.3
121.06474	2.3
121.10151	11.4
123.08022	3.4
123.11703	13.8
125.09628	2.6
129.07004	6.6
131.08572	12.3
133.06438	2.7
133.10127	23.5
135.08063	1.7
135.11671	3.8
137.09535	2.0
142.07697	1.8
145.10004	3.1
146.42146	1.4
147.08020	1.6
147.11682	15.2
149.09564	5.5
149.13242	4.8
151.11208	10.1
157.10118	12.6
159.11693	5.5
165.12787	1.9
175.11147	8.7
177.12691	2.8
183.13730	2.7
187.13287	4.9
193.12241	27.2
194.82579	1.5
195.13847	2.7
197.75583	1.2
211.13271	36.9
212.13528	2.0
213.35854	1.3
225.15025	1.3
228.72878	1.6
243.16022	2.1
253.18005	1.6
257.17566	2.0
267.15915	22.8
269.17447	12.6
285.16943	23.8
301.20135	10.1
398.94632	1.6
417.26227	2.3
435.27396	26.0
436.27121	1.9
443.27914	2.2
453.28448	74.7
454.28522	3.8
461.28934	37.0
462.29449	1.9
467.29895	11.1
479.29947	45.0
480.30060	2.3
511.32706	51.9
512.32928	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	708.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.5
55.01878	19.7
55.05274	3.2
55.05513	41.7
56.39270	1.9
57.03432	32.4
57.07073	3.5
59.05004	2.1
61.02908	6.0
65.03922	2.8
67.05500	51.6
69.03421	14.6
69.07057	11.8
69.90783	11.5
69.91195	3.8
71.01325	2.6
71.04974	9.7
72.84975	2.5
73.02898	9.2
79.05070	3.2
79.05493	50.1
81.03414	100.0
81.07050	55.1
82.04182	3.0
83.04983	30.6
83.08618	35.6
85.02895	34.5
85.06516	3.7
87.04406	3.0
91.03961	2.6
91.05481	59.3
93.07034	35.4
94.94673	2.1
95.04960	47.0
95.08615	19.4
97.02881	11.7
97.06534	10.4
97.10168	20.5
98.07297	5.7
105.07034	34.1
107.04951	17.6
107.08575	20.0
109.06516	7.2
109.10143	15.1
111.04440	6.5
111.08088	18.7
113.05967	2.9
115.05438	3.0
115.55855	2.1
116.04723	14.7
117.07013	6.6
117.55832	2.0
117.67941	1.8
119.08571	32.0
121.06500	2.5
121.10138	15.5
123.08062	7.1
125.09631	13.9
129.05478	33.8
129.06956	17.5
131.08528	17.8
133.06451	2.5
133.10130	19.8
135.08046	3.8
135.11630	6.5
137.09534	3.7
142.07765	4.8
143.07027	6.8
145.10081	6.5
147.08037	4.7
147.11674	20.8
149.09628	10.0
153.12775	4.0
157.08600	14.1
157.10104	19.5
163.11156	9.2
165.12752	5.2
171.06514	3.2
171.10120	6.5
173.09660	3.1
173.11720	5.7
175.11166	23.6
181.12231	4.7
189.11230	6.4
191.10614	2.3
193.10448	2.7
193.12224	73.1
199.13315	15.6
209.11697	8.2
211.13278	93.8
227.12790	11.7
229.14226	2.6
255.16066	3.0
267.15857	23.1
283.15393	9.5
285.16946	56.4
301.16437	55.4
339.18118	2.7
409.25745	3.5
439.26944	7.7
476.27524	4.9
477.28378	4.9
479.46115	2.3
493.27975	12.2
494.28455	8.7
496.57355	2.2
511.29074	47.3
672.22491	2.6
720.28839	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	708.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01867	5.0
55.05499	2.0
57.03417	0.8
61.02917	1.0
67.05499	1.8
69.03436	3.9
70.06569	0.7
71.58111	1.4
72.26530	0.9
79.05074	1.2
79.05499	20.2
81.03419	6.7
81.07039	2.1
81.86697	0.8
83.04992	1.5
83.08605	1.6
85.02908	8.6
91.05481	14.6
93.07039	17.4
95.04968	7.7
95.08601	1.5
97.02880	2.8
97.06526	1.4
97.45736	0.7
99.04472	2.0
103.05444	3.3
105.04513	1.6
105.07053	5.3
107.04945	7.5
108.04507	1.6
109.02861	2.0
109.06491	1.8
109.10145	1.2
111.04437	1.7
111.08093	3.8
115.05457	2.5
117.06958	2.7
119.04951	1.9
119.08582	1.3
121.06503	10.5
123.04432	2.9
124.05180	1.1
125.05958	2.1
127.03925	2.0
128.06241	1.2
129.07010	8.0
131.04944	3.3
131.08571	4.4
133.06500	2.6
135.04376	1.1
135.08023	3.3
137.05965	5.2
139.07542	13.0
145.06471	2.5
147.04393	1.3
147.08060	1.5
148.05212	1.2
149.05974	2.5
151.07518	8.6
152.04706	0.9
153.01810	2.3
153.05452	3.7
153.07031	1.1
154.02144	1.0
157.06470	8.3
159.04370	0.9
159.08011	1.4
161.06001	11.3
161.09607	4.1
163.07553	8.2
165.05513	1.2
165.06938	1.9
165.09126	3.4
166.06268	3.4
167.07047	34.3
168.07532	0.9
171.08047	1.1
173.06059	1.2
174.06743	4.5
175.07489	5.8
177.05435	1.2
177.09103	7.5
179.07060	1.6
179.08527	1.0
181.05028	1.0
181.08600	35.8
181.10210	1.8
182.07312	1.0
183.08005	1.0
187.07660	0.9
189.09109	27.0
191.07004	3.6
191.08592	1.7
191.10678	1.8
193.06612	1.5
193.08548	3.6
194.07233	1.3
195.08080	1.6
195.10149	2.5
197.09534	1.9
197.20570	0.8
199.07596	1.0
205.08627	1.1
207.08287	1.1
207.10054	4.4
208.08875	1.0
209.09598	1.2
210.06795	2.1
211.07539	1.7
211.79227	1.0
219.08130	2.0
219.10153	4.8
221.05969	2.2
221.09666	1.0
221.11711	2.0
223.07529	3.1
225.09094	4.7
227.06886	1.7
237.09006	1.4
239.07161	1.1
240.07779	1.3
243.01526	0.9
247.07437	1.3
251.07053	1.1
251.10606	3.5
253.08655	4.2
254.09436	1.3
255.10217	2.6
257.07925	0.9
257.11752	6.8
259.09546	1.2
265.08417	1.4
265.10880	1.2
266.73410	1.0
267.10129	2.6
270.08902	0.9
279.09991	2.0
281.08182	1.1
281.11905	1.1
283.09662	4.3
283.13193	2.9
285.11185	9.2
296.10593	1.0
297.10974	1.7
300.09891	0.9
302.11411	2.3
305.13910	2.1
311.12766	3.5
315.12323	7.2
317.13821	15.0
328.12744	1.0
329.13739	2.2
331.15381	3.1
341.13516	1.2
343.15375	22.0
359.14908	2.9
361.16455	100.0
362.16736	2.8
373.16440	3.5
481.22034	0.9
613.64453	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	10.9
55.01859	11.7
55.05510	32.0
57.03423	14.6
60.83028	3.1
65.03951	5.7
67.05505	78.9
69.03419	24.2
69.07064	23.5
71.04995	9.7
71.42055	5.9
73.02917	3.8
79.05493	60.2
81.03413	100.0
81.07056	76.1
83.04973	51.0
83.08634	20.3
85.02915	18.2
85.06596	3.1
86.84780	3.0
91.05472	55.0
93.07037	57.8
95.04969	28.6
95.08602	55.7
96.10313	2.9
97.02886	30.1
97.06515	8.7
97.10183	5.7
99.04443	6.0
105.07018	37.8
107.04952	9.6
107.08598	34.7
109.02876	15.0
109.06525	7.3
109.10160	24.3
111.04427	19.5
111.08076	12.1
115.05447	4.0
117.07042	10.3
119.08573	24.0
121.06512	3.9
121.10129	23.1
123.08043	4.9
123.11676	8.7
125.09689	3.8
127.03918	12.7
129.05530	17.7
129.07004	13.8
131.08545	22.2
133.06464	6.1
133.10114	19.9
135.08029	6.3
135.11684	18.2
137.06062	4.2
143.08542	8.0
145.10141	16.7
147.08025	4.2
147.11659	26.2
149.09605	7.3
149.13278	4.2
153.12711	5.2
157.10135	14.4
159.11688	11.8
161.13171	5.0
163.11205	14.6
163.14792	3.5
165.12746	5.6
169.10185	3.8
171.11661	4.5
173.04544	3.3
173.09711	3.6
173.13318	8.9
175.11249	12.1
175.14848	3.3
181.12285	11.4
191.10701	12.3
193.12230	43.2
211.13275	65.0
225.16354	3.0
227.12756	15.8
227.40630	3.2
229.14415	5.4
249.14099	3.2
261.22186	11.6
267.15875	14.2
277.14453	5.3
283.15393	6.6
285.16852	17.7
303.22913	3.2
335.25717	32.9
337.27271	14.0
353.15829	3.5
363.25134	4.7
369.24271	6.2
427.19891	4.9
429.20956	5.7
443.28162	4.5
461.28931	3.3
527.37073	4.8
545.38348	29.4
671.40839	5.7
687.02435	3.7
689.41998	12.2
707.43066	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	707.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27758	3.9
53.03931	14.6
54.04836	3.1
55.01865	11.3
55.05503	38.3
57.03422	15.3
57.74783	3.1
65.03936	3.3
67.05503	85.7
69.03433	24.0
69.07069	23.8
71.01331	3.6
71.04980	12.7
71.57953	4.9
73.02914	3.1
79.05493	57.0
81.03418	100.0
81.07055	88.5
83.04975	53.7
83.08613	23.0
85.02902	21.9
85.06519	4.0
91.05486	51.5
93.07041	64.3
95.04967	33.1
95.08602	44.0
97.02888	24.7
97.06512	6.6
97.10168	6.9
99.04430	7.9
105.07023	39.7
107.04985	11.4
107.08582	32.4
109.02871	14.8
109.06536	10.8
109.10155	27.8
111.04464	23.4
111.08085	12.3
117.07002	16.8
119.08573	35.9
121.06457	8.1
121.10130	25.9
123.04433	3.7
123.08059	8.0
123.11722	10.5
125.09637	3.9
127.03918	8.7
129.05472	10.1
129.07027	17.1
131.08551	19.6
133.10107	17.9
134.10532	3.8
135.08054	5.3
135.11725	17.6
137.09723	3.3
141.00241	3.4
141.06950	4.2
143.08557	9.5
145.06404	3.5
145.10104	19.7
147.08026	5.8
147.11705	23.4
148.50771	3.5
149.09610	10.4
149.13290	6.5
153.12813	7.1
155.08569	7.4
157.10080	13.1
159.11710	11.1
161.13199	4.1
163.11165	13.1
163.14822	3.6
171.11667	5.2
173.09572	8.2
173.13182	6.0
175.11171	10.5
181.12199	9.3
191.10666	10.5
193.12271	28.9
211.13278	50.8
211.15033	5.4
227.12700	15.8
229.14276	4.2
243.21045	4.5
261.22113	8.5
267.15942	19.3
283.15451	11.1
285.16901	17.1
285.21924	4.8
301.16586	5.0
301.21414	3.9
317.24588	4.4
335.25867	25.6
337.27319	11.8
353.16074	3.6
360.09714	4.3
367.81839	4.2
369.24261	4.9
387.24985	4.1
427.19818	4.7
429.21188	5.0
435.32626	4.2
461.28983	3.7
527.37158	9.3
545.38324	26.6
563.40094	4.7
689.42096	13.4
707.42316	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.8
55.01859	9.5
55.05510	27.0
57.03423	13.9
57.07060	5.7
67.05135	4.3
67.05499	87.6
69.03418	20.2
69.07079	17.3
70.25542	13.0
71.04981	10.4
79.05077	3.6
79.05488	53.6
80.02521	3.0
81.03413	100.0
81.07051	77.3
83.04973	39.1
83.08621	22.3
85.02890	15.3
87.04449	12.0
91.05475	45.4
92.05642	3.0
93.07033	53.9
95.04956	28.3
95.08600	43.2
97.02884	19.1
97.06502	7.1
97.10154	7.7
99.04441	4.9
99.08095	3.5
105.07023	39.2
105.81429	3.5
107.04963	5.0
107.08569	31.8
109.01157	3.4
109.02876	14.5
109.10136	25.2
111.04438	19.5
111.08078	16.4
117.07004	13.4
119.08583	22.8
121.10138	26.2
123.08044	4.9
123.11698	9.5
125.09602	6.1
127.03913	6.6
129.05478	11.1
129.07002	15.4
131.08551	23.2
133.09242	3.2
133.10100	18.4
135.08034	4.6
135.11723	16.1
137.09628	4.9
139.11185	3.3
143.08546	5.5
145.10135	16.0
147.11688	19.1
149.09666	4.6
149.13239	6.5
153.12723	9.9
155.08534	5.7
157.10074	16.1
159.11646	8.8
161.13281	3.8
163.11162	10.5
169.10153	4.0
171.11674	9.1
173.09604	6.1
173.13274	10.8
175.11192	8.6
181.10075	3.4
181.12225	6.5
184.07370	10.3
187.14822	3.1
191.10658	10.8
193.12190	31.4
211.13246	50.4
227.12689	18.7
229.14326	3.7
261.22131	13.7
267.15887	14.8
283.15414	10.2
285.16916	21.2
301.16455	4.7
317.24738	3.5
335.25888	20.9
337.27316	12.2
369.24277	7.4
427.19604	5.3
429.21259	6.1
527.37067	5.8
545.38232	23.6
653.40405	11.5
671.40002	4.3
689.42303	15.0
707.44281	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	707.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	13.7
55.01862	13.8
55.05508	31.3
57.03429	18.2
57.07079	4.9
61.02919	4.3
62.86111	3.5
65.03938	6.3
67.05506	75.6
69.03426	29.3
69.07069	20.2
70.18916	13.5
71.05002	8.8
73.02902	5.1
79.05489	61.7
81.03417	100.0
81.07053	77.5
83.04981	49.1
83.08617	27.6
85.02921	20.0
85.06552	4.8
91.05475	55.3
93.07044	61.7
95.04967	39.4
95.08611	48.3
97.02912	24.2
97.06537	9.9
97.10155	6.9
99.04453	10.3
99.08096	4.7
103.05479	5.3
105.07032	48.4
107.04966	9.4
107.08612	27.9
109.02892	14.8
109.06507	4.6
109.10146	28.2
111.04443	28.4
111.08076	11.6
117.06993	7.7
119.08579	32.2
121.06505	5.4
121.10126	35.3
121.90949	3.6
123.08026	5.7
123.11678	8.8
125.09678	4.1
127.03933	15.5
129.05507	20.4
129.07033	16.0
131.08585	25.4
133.10139	21.7
135.08023	4.7
135.11732	15.0
141.06888	3.9
143.08556	6.5
145.06506	5.6
145.10095	13.7
147.08047	5.4
147.11711	25.3
149.09647	8.6
149.13255	6.1
153.12753	8.0
155.08583	4.8
157.10141	10.4
159.11737	7.8
161.13184	4.5
163.11220	11.5
171.11722	5.1
173.13199	7.3
175.11224	13.7
175.14818	4.7
177.80017	3.5
181.12218	6.2
189.12793	3.9
191.10754	9.4
193.12241	46.4
211.13280	75.3
227.12831	13.5
261.22256	10.4
267.16034	13.3
283.15366	10.3
285.16956	13.7
301.21439	5.7
302.27853	4.4
311.65533	4.0
314.41080	3.8
335.25763	38.6
337.27527	8.7
355.17346	7.2
369.24146	4.0
384.15933	4.5
427.39948	4.4
429.20938	10.5
454.44293	4.1
479.29947	5.4
527.37048	9.0
545.38422	32.5
594.42694	4.2
658.73926	4.4
689.42261	15.0
707.43066	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	707.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77544	1.6
69.24824	1.4
70.93754	4.1
85.02890	2.7
96.39688	1.3
101.00877	1.6
116.98647	2.3
119.01904	14.1
131.01878	8.4
137.01906	3.0
137.02931	4.1
137.51918	1.5
143.01932	12.0
145.03470	6.3
152.02428	2.4
155.01892	6.1
157.03444	3.3
161.01743	2.2
161.02966	19.2
163.04430	1.6
167.01949	4.4
171.05023	3.1
173.02966	22.1
179.01932	3.0
185.02951	32.5
187.04506	4.2
197.02931	11.8
203.03964	13.9
209.02939	1.8
215.04012	11.3
221.05138	1.9
224.04515	1.8
227.03989	6.3
245.05084	100.0
246.05405	2.0
257.05124	5.4
263.06149	14.9
274.06027	1.6
275.06189	8.4
283.06772	2.3
283.56924	2.3
284.06561	3.7
293.07242	4.0
305.07288	9.9
335.08499	2.2
365.09332	38.9
383.10278	4.2
399.08087	1.7
425.11462	30.3
534.38354	1.7
548.30072	1.6
552.14532	1.7
673.57050	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.7
67.03496	0.4
69.03432	0.4
70.76421	0.9
70.76754	0.9
81.03408	0.7
81.28993	0.4
82.99415	0.7
82.99884	1.4
85.02935	0.5
97.02858	0.5
101.00859	3.0
113.00848	0.9
119.01917	12.3
122.01354	1.0
127.02422	0.6
131.01900	9.1
131.51971	1.0
132.89813	0.5
137.01863	3.0
137.02946	2.3
137.51941	0.6
143.01889	13.1
143.51968	0.9
145.03455	6.5
146.02463	1.0
147.01389	1.0
149.01814	0.5
149.02931	0.8
151.02716	0.4
152.02411	2.5
152.52473	0.9
155.01878	6.8
157.03494	3.6
158.02425	1.0
161.02953	20.3
162.03108	0.7
163.04501	1.6
164.02380	0.7
167.01859	4.4
169.03453	1.7
171.05034	2.9
173.02953	20.4
173.53032	1.2
175.04526	1.4
179.01781	1.1
179.03137	0.6
181.03488	0.8
182.03441	1.3
184.04515	0.8
185.02946	31.6
186.03181	0.6
187.04517	4.5
191.04008	0.9
194.03563	0.8
194.53520	0.6
196.04546	0.5
197.02940	13.4
199.04561	0.9
203.04004	17.9
203.54010	1.8
203.73950	0.5
205.05464	0.5
208.04533	0.9
209.02896	1.2
212.04533	1.4
215.03992	9.6
221.02998	0.5
221.05019	1.0
224.04552	2.4
224.54691	0.8
227.04010	8.0
233.05098	0.6
239.04121	1.3
245.05058	100.0
246.05252	2.4
251.28505	0.4
254.05615	2.1
257.05017	5.4
263.06128	14.5
275.06113	11.7
283.56845	0.6
284.06686	5.0
284.56696	1.0
286.07773	1.4
287.06100	0.6
293.07162	5.1
298.07867	0.4
305.07159	11.8
317.07208	1.0
335.08221	4.0
347.08255	1.4
364.09570	0.5
365.09277	53.6
365.59534	0.6
366.09412	1.6
383.10330	6.5
401.11133	0.7
407.10272	0.8
425.11377	36.2
426.11478	1.3
437.11145	2.1
455.12271	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26966	0.1
56.05025	0.6
57.07080	0.2
58.06614	0.4
60.08161	5.7
66.82465	0.1
67.05500	0.2
69.44169	0.7
69.44597	0.5
71.07373	3.0
77.53200	0.1
79.05477	0.2
81.03416	0.2
81.07044	0.3
83.04994	0.2
86.09702	29.2
87.04427	0.2
87.10036	0.2
91.05463	0.2
95.08588	0.2
98.98466	3.1
104.10750	2.0
107.08625	0.2
119.08588	0.2
124.99998	19.2
129.06976	0.2
133.10068	0.1
143.01053	0.3
163.08176	0.1
166.02713	0.2
184.07332	100.0
185.07722	1.1
226.09499	0.1
619.81506	0.2
675.23431	0.2
706.46527	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	706.4
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00477	0.9
53.02975	1.0
53.03194	1.5
53.03936	3.3
55.01886	4.8
55.05509	15.2
55.89341	0.9
57.03436	8.0
57.07072	2.3
59.04992	3.1
61.02915	3.6
67.05504	45.7
69.03410	2.7
69.07074	6.8
70.18732	4.5
71.04993	18.5
73.02922	1.3
73.06554	1.2
79.05489	24.3
79.13132	0.9
80.34969	1.0
81.03416	12.9
81.07055	76.6
83.01344	6.3
83.04975	9.0
83.08624	12.1
85.02922	7.1
85.06541	8.1
91.03928	2.0
91.05476	23.4
93.07041	29.3
95.04974	8.2
95.08612	12.3
97.02876	3.9
97.06525	7.2
97.10172	2.6
98.20904	1.4
99.04449	2.6
99.08060	1.6
105.07029	12.7
107.04961	5.5
107.08593	18.2
109.02834	1.4
109.06512	7.1
109.10145	6.2
111.04462	2.7
111.08094	2.3
113.65051	1.0
114.02003	1.0
117.07011	7.8
119.08560	7.4
121.06528	3.0
121.10155	9.1
123.08053	5.8
123.11699	13.3
125.09591	1.4
127.03983	1.0
129.06934	1.5
130.07768	1.3
131.05011	1.0
131.08569	6.0
133.10123	13.2
135.08110	1.9
135.11694	11.9
137.09564	1.0
145.06490	1.1
145.10120	12.5
147.08020	2.3
149.13258	4.6
151.11168	6.2
153.12758	1.6
155.08589	1.8
159.11697	3.5
163.11159	17.8
173.09653	3.5
174.70195	1.1
177.12741	2.4
181.12282	1.4
183.13826	1.9
184.07396	1.3
187.13274	4.5
191.10672	1.8
195.13869	2.5
201.14839	1.0
209.11705	4.5
213.14984	1.7
223.13312	1.2
227.12819	2.7
241.14355	1.1
255.62721	1.1
265.14484	1.5
269.17480	9.3
275.20258	1.2
283.15393	26.6
283.18677	0.9
301.20108	9.4
399.71875	1.1
451.26886	97.8
452.27271	3.0
459.27310	3.9
465.28488	10.2
477.28491	30.5
509.31110	100.0
510.31458	2.9
659.94257	1.1
706.41711	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47601	1.0
53.03932	4.9
55.01872	7.1
55.05509	11.7
57.03438	12.2
59.04993	1.3
61.02906	4.9
65.03924	1.9
67.05502	32.6
68.49442	1.0
69.03432	5.8
69.07060	10.8
70.10580	5.8
71.04972	4.3
73.02902	2.0
79.05491	25.6
81.03416	47.4
81.06581	1.9
81.07055	33.6
83.04988	16.5
83.08619	15.0
85.02904	20.1
85.06527	4.8
91.03957	1.2
91.05476	41.6
93.07041	22.0
95.04960	21.3
95.08607	11.0
97.02884	5.1
97.06520	5.2
97.10152	3.6
99.04454	3.0
99.08087	2.3
105.07027	29.7
107.04932	6.4
107.08594	18.7
109.02885	2.7
109.06533	7.4
109.10149	24.1
111.04443	3.8
111.08090	6.8
113.06003	3.2
115.05434	1.7
117.07021	2.8
119.04924	2.0
119.08578	13.8
121.06503	3.8
121.10142	9.2
123.08048	4.0
123.11700	7.2
125.02351	1.2
125.09580	2.4
127.03912	2.0
127.07518	2.0
129.06993	5.9
131.08582	9.6
133.06462	3.7
133.10129	44.4
135.11717	2.2
137.05991	3.2
137.09624	1.4
139.11110	1.2
142.07791	1.3
143.08536	3.1
145.10123	4.1
147.08006	2.5
147.11681	9.6
149.09604	4.0
151.11174	19.9
153.01871	2.0
157.10118	9.1
161.09602	9.0
163.11151	3.7
165.12724	2.1
167.07022	4.9
169.12251	3.9
169.42084	1.0
173.09508	1.3
175.11176	9.0
177.05415	1.2
179.10626	3.8
193.12234	32.6
207.10187	4.3
209.11707	2.3
211.11311	2.6
211.13283	48.5
215.12750	4.4
225.11098	1.6
227.12794	1.4
243.12206	1.2
245.60829	1.2
249.75124	1.1
253.14314	3.9
267.15912	21.6
281.13773	4.8
283.15369	7.3
285.16968	45.0
299.14896	58.2
301.16486	3.6
459.27051	1.9
473.25262	1.3
477.28439	1.6
491.26410	16.3
509.27444	100.0
510.27835	3.9
521.29761	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	2.5
53.03951	3.1
55.01860	7.3
55.05265	1.5
55.05510	21.2
56.38336	1.2
57.03195	1.1
57.03440	14.9
57.07085	1.5
59.05001	2.4
61.02912	4.7
62.54102	1.3
65.03922	1.6
67.05175	1.8
67.05504	24.9
69.03416	5.0
69.07058	7.9
70.06567	1.7
70.14788	2.4
70.15190	3.7
71.01349	1.8
71.04978	5.1
79.05070	1.9
79.05494	23.1
81.03416	54.1
81.07055	31.4
83.04978	14.8
83.08619	24.3
85.02903	19.8
85.06529	2.5
85.88852	1.2
86.40818	1.2
91.03922	1.4
91.05478	37.9
93.07041	25.4
95.04961	23.1
95.08597	10.8
97.02891	10.4
97.06525	5.4
97.10149	4.2
99.00808	14.8
99.04406	1.2
99.08057	1.5
103.05441	2.8
103.27941	1.1
104.91180	1.1
105.07025	27.9
107.04949	10.7
107.08588	11.1
109.02876	10.1
109.06505	5.6
109.10131	4.6
111.04438	3.7
111.08087	10.8
113.06027	2.0
115.03939	1.8
115.05467	2.1
117.06989	3.6
119.04910	1.7
119.08591	20.4
121.06500	7.9
121.10147	8.9
123.04436	1.9
123.08022	2.0
123.11668	2.8
124.99780	1.3
125.06108	1.1
125.09627	1.4
125.17927	1.3
127.03919	5.1
129.06975	9.1
130.62543	1.5
131.08559	9.8
133.06506	3.8
133.10127	37.1
135.08093	1.2
135.11638	2.3
137.05949	3.4
137.09593	2.8
139.07466	2.5
142.07753	1.8
143.08562	2.8
143.13588	1.3
145.10115	4.8
146.38162	1.4
147.08066	3.7
147.11671	11.1
149.09605	5.6
151.11194	9.8
157.10118	11.8
161.09612	16.0
163.11206	2.5
165.12732	2.7
171.08041	2.7
175.11154	13.1
179.10651	9.0
189.09067	5.2
189.11351	1.2
191.74615	1.4
193.12236	34.2
197.11745	2.5
207.10155	4.0
211.13290	59.6
212.13795	1.5
225.11171	11.3
243.12218	3.0
253.60095	1.3
267.15939	21.4
281.13763	5.3
283.15533	6.4
285.16965	54.0
286.17346	1.4
299.14902	65.5
300.15097	1.7
301.16452	1.9
375.25241	1.3
459.27258	3.3
473.25110	2.8
477.28366	2.5
491.26416	18.5
509.27472	100.0
510.27698	4.9
644.41333	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67244	2.0
50.74947	2.1
53.03941	3.1
55.01872	22.7
55.05265	2.6
55.05514	33.4
57.03437	23.4
57.07050	2.8
59.04990	2.8
59.08572	1.9
61.02939	11.1
65.03983	2.0
67.05505	39.5
69.03420	6.1
69.07059	8.9
70.74065	3.6
70.74451	4.6
71.04977	5.8
73.02898	8.3
79.05500	38.3
81.03421	25.6
81.07056	40.2
82.04199	5.5
83.01331	9.2
83.04996	21.0
83.08618	20.3
85.02901	13.4
85.59261	2.0
86.09693	7.0
91.03925	3.2
91.05489	23.7
93.07043	38.6
95.04970	21.4
95.08617	14.3
97.02891	8.9
97.06540	9.9
97.10176	12.9
98.07297	6.0
105.07047	16.0
107.04955	15.0
107.08595	24.9
109.06509	9.5
109.10183	9.9
111.04440	5.8
111.08032	4.8
116.04706	14.1
117.07000	11.8
119.08559	16.4
121.06488	4.6
121.10129	8.8
123.08068	9.1
124.99963	3.2
125.06007	2.9
125.09646	18.1
129.05481	33.0
129.06989	6.0
131.08559	7.9
133.10127	8.1
135.08118	2.9
135.11681	14.9
137.09647	3.3
139.07594	2.3
139.34315	2.2
143.07048	5.8
145.10109	21.7
147.08084	3.8
147.11690	5.7
149.09595	3.4
153.09084	3.2
153.12738	8.1
155.08582	2.5
157.08633	11.9
157.09779	2.7
163.11192	31.9
171.10138	3.4
173.09575	6.3
175.11195	4.7
181.12241	6.3
184.07320	11.8
189.11237	7.4
191.10645	9.3
193.12265	4.2
199.13301	8.6
200.14119	2.8
209.11726	17.5
210.12535	2.7
211.13268	2.9
227.12746	18.1
229.14694	3.4
236.43076	2.6
267.15884	10.4
283.15408	100.0
284.15979	4.3
301.16449	90.0
302.16934	2.6
364.02118	2.3
437.25348	6.7
457.25613	2.9
459.27045	2.9
475.26794	9.5
477.28473	3.3
491.26691	6.2
492.27054	7.3
509.27402	91.6
510.27612	7.7
629.25916	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08548	1.1
51.02375	1.3
53.03948	12.7
53.39482	1.2
55.01867	7.0
55.05263	2.0
55.05509	26.5
57.03431	7.6
57.07074	2.9
61.02919	1.7
65.03923	6.1
67.05503	93.6
69.03428	21.7
69.07070	18.6
71.04990	59.1
73.02918	1.3
79.05491	67.1
79.80576	1.3
81.02928	2.1
81.03413	54.5
81.07053	100.0
83.04977	14.0
83.08614	11.9
85.02888	9.2
85.06541	9.1
87.04464	2.3
91.05477	62.3
91.49947	1.2
93.07038	67.0
94.07351	2.0
95.04960	17.7
95.08602	38.3
97.02898	16.2
97.06516	10.1
97.10154	5.6
99.04467	7.6
99.08066	3.2
105.04500	1.8
105.07030	40.3
107.04945	3.9
107.08588	34.1
109.02882	13.5
109.06496	5.3
109.09459	1.7
109.10155	17.5
111.04427	7.2
111.08089	5.8
113.09665	1.4
115.05424	2.4
117.07022	14.9
119.08584	19.0
121.06513	2.9
121.10139	24.1
123.08054	3.3
123.11701	11.9
125.09667	3.4
127.03908	9.8
128.06204	2.2
129.05482	2.4
129.06992	7.5
131.08560	17.5
133.06493	3.3
133.10141	29.8
135.08078	3.0
135.11684	16.0
137.09628	2.0
143.08571	4.4
145.06468	1.7
145.10098	11.0
147.08089	2.1
147.11690	14.0
149.09589	2.0
149.13251	13.1
151.11159	10.4
153.12747	2.1
155.08517	1.6
157.10149	5.1
159.11658	13.0
161.13260	4.9
163.11166	2.3
165.09100	1.6
165.12761	1.5
167.14355	1.6
169.10129	1.6
169.12213	2.3
171.11658	3.9
173.04451	12.3
173.13239	6.1
175.11169	2.4
175.14838	1.7
177.12744	6.8
183.13823	8.2
184.07330	5.3
185.13229	3.2
187.13307	12.7
187.14789	3.2
191.10689	2.3
193.12209	3.7
193.14163	1.3
195.13809	6.4
201.14838	2.7
211.13139	2.0
227.12814	2.9
239.14317	1.5
257.17621	3.7
259.20374	2.2
261.21976	6.9
269.17206	1.8
321.16998	1.7
327.22922	1.5
331.23032	1.8
335.25629	5.7
339.18027	6.3
344.49911	1.5
349.27542	4.7
351.23203	2.7
369.24179	3.2
387.25031	1.8
395.20566	2.2
405.26501	2.3
427.23105	1.9
471.20731	1.6
501.39328	1.7
503.36981	3.1
517.38556	8.7
529.38489	2.5
543.37073	7.0
545.38684	1.4
561.40973	4.1
673.42999	3.3
687.41028	1.7
705.45740	36.3
706.46124	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	14.9
55.01855	15.5
55.05514	27.6
57.03422	14.5
63.92451	4.7
65.03925	8.3
67.05502	77.6
69.03416	24.5
69.07049	24.6
69.34084	16.4
69.34513	41.6
70.96127	4.7
71.04984	13.1
79.05487	58.4
79.66172	5.1
81.03418	100.0
81.07053	74.7
83.04965	25.0
83.08591	12.5
85.02895	10.4
86.09689	20.5
86.66827	6.3
91.05475	49.9
91.67000	5.3
93.07042	63.5
95.04953	21.7
95.08594	45.5
97.02865	34.9
97.06526	9.7
97.10169	10.6
99.04445	15.9
105.07039	32.0
107.04952	9.5
107.08582	43.8
109.02900	26.0
109.06545	5.8
109.10146	29.3
111.04431	21.2
111.08060	7.3
117.07004	25.7
119.08566	28.9
121.10145	21.0
123.11747	6.7
124.99995	17.4
125.09629	10.1
127.03915	17.7
129.06961	12.8
131.08536	21.3
133.10107	15.4
135.08067	7.5
135.11679	22.9
135.96841	4.9
143.08524	9.0
145.10117	20.4
147.11708	11.2
149.09531	7.6
149.13281	8.7
153.12766	9.3
155.08571	11.6
157.10100	5.9
159.11658	12.5
163.11180	30.5
173.04451	19.3
173.13177	9.1
181.12148	13.4
184.07324	76.8
185.07770	9.7
185.13358	12.0
187.13312	5.5
191.10657	14.7
209.11632	11.2
211.11256	5.0
227.12766	34.7
261.22214	6.3
277.21512	6.4
283.15500	11.6
335.25784	24.5
353.15793	8.0
401.19241	6.6
427.19281	10.0
508.57559	6.4
525.35730	12.3
543.36902	28.1
669.39374	7.5
687.40247	15.2
705.42877	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33240	2.2
53.03934	4.8
55.01857	4.8
55.05511	25.2
57.03424	10.8
59.60716	2.5
61.02922	12.0
65.03940	3.6
67.05502	45.5
69.03416	10.2
69.07073	16.9
69.20890	2.3
69.59798	19.1
71.01371	2.8
71.04987	5.0
73.02910	6.7
79.05488	28.8
80.05807	3.1
81.03414	27.2
81.07050	42.0
82.03713	3.8
83.04949	9.3
83.08607	10.9
85.02898	16.7
85.06527	2.8
91.03933	6.7
91.05470	29.8
93.07046	37.2
95.04961	16.1
95.08605	25.9
97.02884	13.6
97.06525	5.9
97.10162	12.1
98.21484	5.2
99.04456	2.6
101.02375	3.8
105.07020	22.7
107.04935	7.5
107.08584	20.6
109.02888	4.8
109.06536	6.3
109.10139	12.5
109.73474	2.2
111.08061	3.9
115.24143	2.3
115.67872	2.5
117.07043	16.2
117.54011	3.7
119.08557	22.7
121.06505	3.8
121.10111	13.6
123.08026	6.0
123.11699	4.0
125.09597	8.9
127.03917	5.5
128.06226	2.4
129.06993	11.0
131.08578	18.1
133.06418	2.7
133.10135	11.7
135.07994	6.1
135.11694	7.8
141.07018	3.6
143.08560	11.8
145.10146	17.6
147.08018	4.9
147.11710	10.4
149.09610	5.1
149.13245	3.5
155.08539	8.0
157.10107	9.0
159.11668	11.0
161.09648	2.8
161.13289	3.9
163.11177	5.0
167.08542	3.9
169.10104	7.5
171.08058	2.9
171.11693	5.3
173.13246	7.8
175.11168	5.8
179.08638	2.6
180.37907	2.4
181.10190	3.1
183.11685	5.8
185.13286	5.9
187.11191	4.7
187.14824	4.9
189.08911	2.6
189.11185	4.2
189.12793	2.7
193.12234	5.7
197.13171	3.3
199.14777	2.6
211.13196	4.6
216.60144	2.2
217.12398	3.1
227.12614	5.3
267.15903	8.2
275.20071	9.3
283.20392	2.6
285.16898	4.0
286.17593	3.2
299.23575	6.6
333.24783	2.7
421.25903	6.0
433.30920	5.5
451.31900	7.0
459.27094	3.4
469.33130	6.8
470.04568	2.4
508.33713	5.5
525.35901	20.2
543.36786	100.0
544.37195	4.1
651.39355	3.6
669.38916	2.9
687.40045	5.0
705.41351	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	705.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	15.2
55.01869	15.9
55.05515	36.8
57.03415	9.7
59.04987	3.8
61.04499	2.9
65.03917	4.2
67.05504	90.5
69.03426	37.2
69.07069	28.5
71.01350	4.2
71.04993	19.7
79.05486	69.6
81.03413	100.0
81.06584	5.1
81.07056	86.5
83.04975	35.0
83.08617	20.2
85.02888	18.6
85.06543	5.4
91.04015	3.2
91.05479	61.0
93.06475	5.4
93.07041	78.1
95.04962	21.4
95.08611	53.6
96.03011	3.5
97.02896	30.5
97.06522	11.5
97.10178	14.1
99.04455	15.4
103.05435	3.2
105.07034	35.9
107.04967	8.5
107.08589	37.9
109.02883	20.6
109.06542	5.6
109.10165	24.1
111.04449	18.8
111.08073	9.2
115.05409	5.3
117.07019	22.9
119.08578	32.2
121.06480	6.1
121.10150	30.1
123.08098	6.3
123.11721	8.4
125.09653	14.2
127.03912	20.2
129.05472	6.3
129.07022	11.3
131.08565	37.2
133.06479	3.3
133.10121	24.1
135.08076	4.7
135.11684	31.6
137.05859	3.4
137.09612	4.3
141.06978	6.9
143.08566	13.0
145.06471	4.1
145.10110	32.8
147.08008	6.9
147.11667	13.8
149.09607	8.7
149.13220	7.2
153.12762	18.6
155.08606	6.4
157.10121	10.5
159.11676	11.6
161.13251	9.0
163.11182	29.9
169.10130	6.1
171.07961	5.0
171.11671	9.3
173.04454	29.9
173.09605	6.8
173.13257	11.5
175.11060	4.0
175.14771	3.4
177.12787	4.4
181.10225	4.2
181.12242	16.6
183.11649	7.1
184.07336	6.4
185.09683	2.9
185.13289	6.1
187.14890	5.0
189.11177	8.3
191.10654	21.1
195.11726	3.8
197.13171	4.2
199.14796	5.7
209.11676	14.6
227.12755	32.1
259.20496	4.8
261.22189	10.5
275.19925	4.4
277.21713	3.7
279.23297	3.7
283.15411	13.6
299.23697	4.7
301.16492	4.9
303.23007	3.4
317.24756	5.4
335.25766	18.3
339.22592	3.9
353.15988	8.3
369.24182	8.9
381.97388	3.2
401.19324	8.2
407.43912	3.0
427.19467	10.4
451.32120	8.6
469.32916	5.5
515.37048	3.9
525.35681	11.3
543.36871	36.7
561.37958	7.0
575.90222	3.6
651.39514	4.1
669.39740	6.4
687.40637	11.2
705.42126	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	13.5
55.01879	14.3
55.02100	2.8
55.05510	35.0
57.03433	12.6
57.07061	2.6
65.03928	5.1
66.83279	2.2
67.05503	75.0
69.03424	30.4
69.07071	19.3
71.04997	17.7
72.27567	2.0
79.05067	3.6
79.05495	59.2
81.03414	100.0
81.07053	62.6
83.04980	31.1
83.08613	13.2
85.02889	11.8
85.06535	4.4
86.09722	4.7
91.05479	47.6
93.07045	60.0
95.04973	14.7
95.08607	39.5
96.08895	2.5
97.02891	23.7
97.06530	8.0
97.10164	14.4
99.04427	13.6
99.08098	2.7
105.07020	28.3
107.04942	8.3
107.08589	29.0
109.02890	21.8
109.06506	6.7
109.09550	2.6
109.10168	23.7
111.04434	29.5
111.08079	11.1
117.07034	18.9
119.08579	30.3
119.55737	1.9
121.06485	5.3
121.10129	22.4
123.08026	3.1
123.11698	6.7
124.99979	4.6
125.09639	12.9
127.03913	19.7
128.06215	2.7
129.07016	12.0
131.08557	27.8
133.06441	1.9
133.10136	18.1
135.08084	6.3
135.11685	25.9
139.11143	2.3
141.06984	4.2
143.08556	8.8
145.06465	3.5
145.10123	25.9
147.08000	4.0
147.11687	12.8
149.09581	5.0
149.13258	5.3
153.12737	18.8
155.08556	7.1
155.10596	2.4
157.10147	9.3
159.11699	15.5
161.13258	5.9
163.11189	21.3
163.14803	2.0
165.12651	2.4
167.08588	3.3
169.10136	4.9
171.08131	2.5
171.11671	6.2
173.04478	27.2
173.09628	8.9
173.13254	8.8
175.11134	4.0
175.14796	3.3
177.12749	2.0
181.10170	2.7
181.12202	23.7
183.11716	5.3
184.07327	13.6
185.13222	7.8
187.14836	3.1
189.11208	7.9
189.12775	2.4
189.16444	2.1
191.10648	17.8
193.12222	2.5
199.14928	2.9
201.16425	3.1
209.11761	6.2
227.12747	43.5
243.21225	2.4
249.64584	1.9
259.20569	2.8
261.22116	8.3
267.16013	2.9
283.15369	13.1
297.21988	2.9
299.23819	5.6
301.16357	3.9
317.24814	3.5
333.24179	5.4
333.77960	2.0
335.25870	25.2
353.15845	7.3
369.24103	4.4
371.17032	2.2
384.92572	2.2
401.19366	4.1
423.32614	2.5
427.19516	7.4
451.32419	3.3
469.33121	4.0
515.37531	4.2
525.35919	11.9
543.36902	36.0
561.37817	9.1
613.37286	2.7
669.39825	3.6
687.40283	8.9
705.42548	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	705.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.01865	1.9
55.05510	15.5
57.03434	5.8
57.07056	2.0
59.44707	1.3
61.02927	9.8
62.66251	1.1
65.03954	1.4
67.05501	21.5
69.03420	8.7
69.07077	6.5
71.04966	2.4
73.02916	6.7
77.24306	1.1
79.05480	15.0
81.03419	15.8
81.07057	20.8
83.04964	3.8
83.08641	7.5
83.09043	1.4
85.02906	11.1
85.06551	1.4
91.03947	4.7
91.05476	13.7
93.07053	15.4
95.04962	5.4
95.08598	12.2
97.02881	10.6
97.06503	2.4
97.10168	7.7
98.21474	2.3
99.04441	2.8
101.02382	2.2
105.07034	15.7
107.04931	3.7
107.08594	9.5
109.02861	3.1
109.06520	1.9
109.10147	6.5
111.04434	1.3
111.08115	2.8
115.03905	1.6
115.05433	1.6
117.07033	8.4
119.08566	11.4
121.06468	2.3
121.10135	5.4
123.11712	1.5
125.09631	6.0
127.03904	2.8
127.15541	1.2
128.06242	1.7
129.05453	1.6
129.07016	8.2
131.08543	14.1
133.06445	2.7
133.10109	8.5
135.08031	2.6
135.11667	3.9
141.06966	2.0
142.07741	1.6
143.08531	7.8
145.06424	2.4
145.10120	12.0
147.08002	2.8
147.11703	7.1
149.09682	1.6
149.13269	2.3
155.08534	4.7
157.10114	9.4
159.08040	3.7
159.11710	5.2
161.09666	1.6
161.13243	2.9
161.16365	1.2
163.11162	3.0
165.06969	1.9
167.08574	2.8
169.10100	6.3
171.08025	2.1
171.11696	7.2
173.09656	1.6
173.11877	1.2
173.13258	5.2
175.11165	2.5
175.14941	1.4
177.12703	1.3
179.08586	1.7
181.10103	2.7
181.12064	1.4
183.11717	4.2
185.09674	1.5
185.13245	4.0
187.11140	1.8
187.14819	2.1
189.11166	2.4
191.10699	1.8
193.12173	2.8
195.11699	2.7
197.13295	3.0
199.14835	3.8
201.12849	1.7
209.13321	2.5
211.13245	4.9
213.12807	1.4
221.13307	1.2
223.14944	1.2
227.12697	2.8
229.14319	1.3
241.19424	1.9
259.20587	3.4
265.19507	1.6
267.15610	1.8
283.20648	1.5
297.21918	1.6
299.23578	4.7
301.21616	2.2
313.21628	1.6
327.23364	1.3
333.24060	1.9
339.23160	2.0
357.23849	1.8
421.25919	1.7
433.30789	3.5
435.27109	1.5
451.32172	8.5
469.32910	4.6
525.35632	15.9
541.35217	1.9
543.36823	100.0
544.37152	4.1
561.38074	1.4
585.38147	1.7
651.38232	2.5
669.39722	2.6
687.40558	3.6
705.31879	2.2
705.41742	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	704.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05866	0.2
55.01851	0.2
55.05507	0.5
56.05026	0.6
58.06614	0.5
60.08160	6.4
62.49028	0.3
67.05498	1.8
69.03415	0.3
69.07058	0.6
69.49930	0.9
69.50359	1.2
71.04972	0.7
71.07362	3.7
79.05469	0.7
81.03419	0.6
81.07040	1.3
83.08607	0.4
86.09698	30.4
91.05473	0.3
93.07032	0.7
95.04990	0.3
95.08607	1.1
98.98458	3.9
104.10745	2.1
105.06986	0.4
107.08572	0.6
109.10120	0.4
119.08576	0.3
121.10154	0.5
124.99993	20.1
133.10159	0.3
135.65224	0.3
143.01018	0.6
156.91742	0.3
159.10176	0.3
159.11597	0.4
184.07326	100.0
185.07648	0.9
227.12730	0.3
274.63089	0.3
344.41458	0.3
466.21362	0.3
538.18860	0.3
563.42902	1.4
654.40991	0.4
681.69061	0.3
704.45044	3.7
705.42499	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	12.5
53.04166	2.2
55.01872	16.5
55.05509	32.8
57.03443	12.7
57.07072	5.2
60.75654	2.2
62.60535	3.1
65.03934	6.9
67.05505	77.9
69.03428	31.9
69.07063	22.3
70.76183	8.4
71.04996	15.8
73.02924	4.8
77.71417	2.3
79.05014	2.5
79.05140	1.3
79.05486	61.6
81.03419	100.0
81.07053	78.3
82.03750	2.4
83.04970	30.8
83.08609	16.7
85.02897	16.5
85.06525	5.0
86.09723	3.2
91.05486	49.6
93.07041	62.9
95.04984	19.5
95.08606	52.2
95.09210	1.4
97.02892	34.0
97.06523	14.1
97.10166	9.3
99.04457	14.4
99.49688	2.2
103.05431	3.7
105.07027	37.6
107.04946	9.5
107.08587	40.3
109.02882	25.1
109.06501	6.3
109.10157	24.0
111.04444	23.5
111.08066	10.1
117.07018	20.5
119.08569	26.4
121.06525	6.5
121.10139	27.4
123.08057	5.4
123.11712	5.2
123.83516	2.9
125.09628	15.1
127.03917	19.9
128.06238	4.2
129.05487	4.7
129.06966	12.7
131.08546	30.1
133.06448	3.4
133.10120	23.4
135.08049	6.8
135.11700	22.4
137.09598	4.0
139.11159	2.2
141.06952	2.6
142.07762	3.6
143.08575	10.0
145.06517	4.9
145.10106	25.4
147.08078	7.6
147.11671	16.1
149.09641	6.2
149.13242	7.3
151.11172	2.7
153.12729	12.7
155.08560	4.0
157.10062	5.7
158.60199	2.7
159.11682	13.6
161.09645	4.8
161.13245	8.4
163.11171	23.0
167.08530	3.1
169.10202	2.7
171.11705	7.0
173.04478	23.1
173.09604	6.7
173.13284	12.2
175.11159	3.1
177.61368	2.3
181.10130	2.3
181.10860	2.3
181.12224	19.2
183.11641	3.4
184.07358	9.0
185.13257	5.4
187.07350	2.7
187.11143	2.2
187.14853	3.7
189.11179	7.6
189.12723	3.1
191.10658	15.0
193.12210	2.8
195.13806	2.4
197.13300	4.3
199.11287	2.6
205.96021	2.7
209.11626	12.5
211.14867	2.7
227.12758	39.2
227.14853	2.9
243.21317	2.6
259.20551	5.4
261.22214	9.3
269.17615	2.5
275.20108	10.5
277.21533	3.3
283.15469	13.7
299.23874	2.7
301.16638	4.2
301.21518	3.4
317.24918	3.3
335.25812	22.0
339.23157	2.5
353.16025	4.0
369.24249	4.6
387.25333	3.1
427.19501	7.2
451.32040	4.0
461.30042	2.6
469.33133	5.3
482.14920	2.5
487.34326	3.0
525.35724	8.7
543.36853	34.8
561.37537	5.6
583.14636	2.6
669.39996	4.7
687.40466	9.0
705.42218	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.1
55.01869	8.1
55.05513	40.2
57.03438	26.3
61.02914	7.4
65.03925	4.3
67.05502	80.2
69.03415	14.8
69.07070	24.0
71.04981	10.2
71.57915	3.6
71.58350	4.4
73.02899	4.5
73.97623	3.3
74.06063	3.6
79.05489	72.2
81.03417	100.0
81.07059	68.1
83.04994	31.5
83.08617	31.2
85.02898	34.7
91.05477	64.6
92.05814	4.3
92.85488	3.6
93.07036	46.9
95.04958	52.8
95.08613	24.7
97.02892	13.1
97.06541	7.2
97.10146	17.3
105.07027	41.2
106.83729	3.1
107.04955	22.7
107.08585	24.1
109.02895	5.5
109.06532	14.6
109.10154	29.5
111.04496	4.6
111.08089	16.0
112.01871	3.5
115.05407	5.4
117.07024	10.9
119.08572	34.5
120.08127	16.5
121.06500	9.3
121.10117	19.8
123.04425	4.3
123.08047	9.6
123.11732	8.4
125.09673	16.8
129.07010	11.4
131.08603	21.9
133.06490	4.8
133.10146	20.3
135.08064	5.2
135.11731	6.1
141.06949	4.9
142.07697	4.5
143.08501	4.1
145.10139	11.1
147.11688	18.4
149.09593	10.5
149.13268	4.4
157.10129	17.8
159.11736	12.0
165.12766	8.3
169.10184	6.5
173.11757	7.7
175.11148	16.7
177.12836	4.9
184.07387	3.5
187.11159	5.4
189.11253	12.9
193.12225	57.9
194.12518	3.8
205.12265	12.1
211.13277	88.2
223.13245	65.2
227.12827	9.7
229.14340	11.7
236.92859	3.9
267.09241	3.7
267.15936	32.4
269.17526	5.8
277.17859	4.4
279.15985	8.8
285.16980	66.9
285.19864	2.9
297.16995	57.6
386.27902	3.8
421.25595	4.0
439.26691	24.2
471.27618	6.6
489.28595	21.7
507.22516	6.3
507.29517	69.8
507.36935	5.0
530.06274	4.0
602.12067	3.8
663.08051	4.3
677.73969	4.0
704.39984	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	704.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
56.05021	1.2
57.07063	0.3
58.06611	0.4
60.08162	6.4
67.05494	1.1
69.07052	0.6
70.06555	0.4
71.07365	4.1
71.58698	0.4
73.70291	0.3
79.05486	1.2
81.07048	1.1
86.09706	34.3
87.45383	0.3
90.40114	0.3
91.05454	0.8
93.07032	0.6
95.08601	0.9
98.98460	3.1
104.10735	3.3
105.06973	0.3
107.04936	0.6
107.08572	0.5
109.10161	0.3
110.88845	0.3
125.00006	22.9
143.01045	0.5
184.07338	100.0
185.07689	0.6
187.33054	0.3
227.12732	0.5
394.93027	0.3
704.44995	8.1
705.44342	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	12.1
55.01863	24.1
55.05509	34.5
55.05761	4.9
57.03436	24.5
57.07074	5.3
59.99585	3.6
61.02919	6.3
65.03931	6.4
67.05503	91.7
69.03420	14.0
69.07063	24.7
70.17999	8.6
70.18392	6.4
71.04995	5.8
73.02923	5.6
79.05494	100.0
80.06239	3.6
81.03407	48.3
81.06589	4.3
81.07057	75.3
82.04202	6.4
82.07369	4.2
83.04984	29.3
83.08605	17.4
85.02879	11.6
85.06552	6.8
86.09697	7.4
91.05476	83.2
92.05796	3.9
93.07038	91.1
95.04974	40.1
95.08596	34.0
97.02895	14.0
97.06535	11.4
97.10174	13.0
98.07306	4.3
98.20782	3.8
101.59496	3.8
103.05470	4.4
105.07029	50.6
107.04959	19.6
107.08609	30.7
109.02895	7.0
109.06489	12.1
109.10122	10.8
111.04433	5.5
116.04695	9.1
117.07020	15.6
119.08582	36.8
121.06507	7.7
121.10119	14.3
123.08080	11.4
123.11671	3.9
125.09608	15.8
128.06192	3.6
129.05501	27.5
129.07011	28.6
131.08548	10.4
133.10138	21.5
135.08102	5.5
135.11719	10.2
138.48978	3.9
143.06990	7.2
143.08582	12.2
145.10155	22.9
147.08070	6.2
147.11691	43.0
149.09650	7.6
150.18060	3.5
157.08563	12.2
157.10027	9.1
159.11659	5.7
160.96243	3.9
161.13275	13.0
163.11168	13.1
171.10292	5.3
171.11650	20.3
175.11201	5.9
181.12183	5.0
184.07321	18.7
189.11238	9.7
189.12708	9.6
193.12224	4.6
195.13683	4.1
199.13361	7.0
207.13812	17.7
213.14864	3.5
227.12747	13.2
267.15894	5.0
269.17477	4.8
275.19952	4.3
281.17462	38.9
283.15387	9.7
301.16467	55.4
435.27319	10.8
473.19180	3.7
473.29227	4.2
489.28305	10.4
507.29425	73.3
512.04834	4.9
542.35614	6.0
704.40094	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	704.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	12.1
55.01863	24.1
55.05509	34.5
55.05761	4.9
57.03436	24.5
57.07074	5.3
59.99585	3.6
61.02919	6.3
65.03931	6.4
67.05503	91.7
69.03420	14.0
69.07063	24.7
70.17999	8.6
70.18392	6.4
71.04995	5.8
73.02923	5.6
79.05494	100.0
80.06239	3.6
81.03407	48.3
81.06589	4.3
81.07057	75.3
82.04202	6.4
82.07369	4.2
83.04984	29.3
83.08605	17.4
85.02879	11.6
85.06552	6.8
86.09697	7.4
91.05476	83.2
92.05796	3.9
93.07038	91.1
95.04974	40.1
95.08596	34.0
97.02895	14.0
97.06535	11.4
97.10174	13.0
98.07306	4.3
98.20782	3.8
101.59496	3.8
103.05470	4.4
105.07029	50.6
107.04959	19.6
107.08609	30.7
109.02895	7.0
109.06489	12.1
109.10122	10.8
111.04433	5.5
116.04695	9.1
117.07020	15.6
119.08582	36.8
121.06507	7.7
121.10119	14.3
123.08080	11.4
123.11671	3.9
125.09608	15.8
128.06192	3.6
129.05501	27.5
129.07011	28.6
131.08548	10.4
133.10138	21.5
135.08102	5.5
135.11719	10.2
138.48978	3.9
143.06990	7.2
143.08582	12.2
145.10155	22.9
147.08070	6.2
147.11691	43.0
149.09650	7.6
150.18060	3.5
157.08563	12.2
157.10027	9.1
159.11659	5.7
160.96243	3.9
161.13275	13.0
163.11168	13.1
171.10292	5.3
171.11650	20.3
175.11201	5.9
181.12183	5.0
184.07321	18.7
189.11238	9.7
189.12708	9.6
193.12224	4.6
195.13683	4.1
199.13361	7.0
207.13812	17.7
213.14864	3.5
227.12747	13.2
267.15894	5.0
269.17477	4.8
275.19952	4.3
281.17462	38.9
283.15387	9.7
301.16467	55.4
435.27319	10.8
473.19180	3.7
473.29227	4.2
489.28305	10.4
507.29425	73.3
512.04834	4.9
542.35614	6.0
704.40094	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	703.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	15.7
53.76896	3.6
55.01870	7.2
55.05511	33.9
57.03423	17.9
57.07057	4.3
63.57733	3.6
66.06628	4.5
67.05498	100.0
68.53526	3.6
69.03431	34.1
69.07067	26.5
69.52206	29.8
70.58239	4.1
71.04987	13.0
79.05486	84.9
81.03414	50.5
81.07049	97.8
82.16460	4.1
83.05003	26.3
83.08605	14.8
85.02892	17.2
85.06529	5.1
86.09700	12.0
89.06001	6.7
91.05472	72.5
93.07039	74.3
95.04953	26.1
95.08595	58.8
97.02880	9.1
97.06509	7.0
98.20781	8.7
99.04457	3.8
104.23577	4.3
105.04552	4.5
105.07030	48.2
107.04943	8.4
107.08585	44.6
109.02863	5.8
109.06602	6.0
109.10141	18.2
111.08096	4.3
113.91321	3.9
115.05458	7.6
117.07015	26.0
119.08594	37.8
121.06461	9.4
121.10154	22.6
123.08052	7.0
123.11680	6.1
125.00006	7.8
127.03856	9.4
128.06203	8.7
129.05473	7.0
129.06987	24.2
131.04840	5.8
131.08549	30.3
133.06535	5.6
133.10101	20.8
135.11691	12.2
143.08556	11.9
145.06425	4.2
145.10114	16.8
147.11661	25.4
149.09590	3.8
149.13235	6.6
157.10101	6.9
159.08041	6.9
159.11729	10.0
161.13269	15.0
163.11166	5.9
171.11659	16.8
173.04553	6.0
173.09608	4.5
173.13309	10.0
181.10147	6.0
184.07314	45.5
185.13141	5.6
189.12732	9.3
195.11679	4.9
207.13831	15.9
220.75085	4.1
223.14809	8.3
261.22247	9.3
281.17487	17.2
287.16473	11.7
335.25754	52.4
402.17258	4.5
476.16196	4.6
527.46863	4.4
541.38861	40.4
583.38971	4.8
587.67584	4.7
591.43896	5.6
703.40070	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	3.4
53.03946	11.7
55.01867	20.2
55.05508	44.2
57.03430	8.8
57.07069	2.9
59.04984	2.3
61.02921	4.7
64.19778	2.1
65.03928	4.6
67.05502	74.7
68.56583	2.2
69.03421	28.1
69.07068	39.4
69.23470	21.3
69.23881	5.9
70.06573	3.1
70.12640	2.1
71.04984	12.5
79.05493	71.0
79.05964	3.6
81.03418	99.0
81.06578	5.4
81.07053	85.6
83.04977	30.8
83.08617	24.3
85.02898	19.0
85.06538	3.2
88.07642	3.9
91.05482	83.4
93.07043	61.9
95.01330	9.0
95.04954	38.6
95.08604	47.8
96.15208	2.3
97.02879	18.9
97.06529	30.8
97.10178	9.6
99.04449	5.9
101.00999	2.3
102.09212	3.2
103.05438	3.0
105.07031	92.7
107.04951	26.7
107.08591	32.7
109.02866	15.7
109.06540	8.3
109.10164	20.5
111.04447	11.4
111.08074	10.9
114.31509	2.1
115.05518	5.1
117.07008	25.3
119.08568	51.0
121.06532	10.8
121.10125	16.9
123.04429	4.5
123.08095	6.1
123.11729	5.4
125.09638	8.3
127.03935	10.6
128.06206	4.9
129.07010	19.1
131.04974	3.0
131.08571	35.8
133.06512	5.5
133.10136	47.4
135.08049	7.0
135.11700	11.9
137.09666	3.2
141.06999	6.4
142.07799	6.5
143.08548	12.5
145.06511	4.7
145.10107	31.9
147.08067	5.6
147.11687	29.3
149.02390	10.1
149.09575	11.9
149.13261	7.9
150.02675	2.6
151.11183	2.5
153.09189	3.3
153.12773	2.9
155.08578	6.7
157.10123	21.4
159.08035	4.2
159.11644	16.8
161.09689	2.7
161.13255	6.8
163.11171	13.6
165.09149	3.6
165.12778	4.0
167.08528	4.3
169.10190	8.2
171.08035	2.9
171.11732	9.4
173.04491	7.7
173.09610	4.8
173.13258	5.5
175.11198	9.2
177.12692	5.2
179.14294	17.4
183.11771	9.2
183.56378	2.3
185.13280	6.1
187.11113	2.7
189.11217	3.5
189.12762	4.1
191.10692	5.5
193.04970	3.9
193.10426	4.0
193.12221	26.9
195.11690	2.4
195.13789	4.2
197.13293	4.4
211.13261	28.9
211.14964	5.0
213.16397	2.5
227.12683	5.9
239.18018	3.5
246.11076	2.9
247.20738	3.6
256.26376	5.6
257.19025	13.4
257.26709	5.0
267.16034	8.7
275.20053	100.0
276.20355	2.8
285.17105	3.7
293.21133	6.6
301.14655	2.5
311.20078	3.1
323.20081	3.0
349.23630	11.6
355.17734	10.8
361.23923	2.5
411.20224	8.5
457.25812	2.6
461.28766	3.2
523.33997	3.5
541.35278	32.8
559.36383	7.0
585.00946	2.7
649.37689	3.7
685.39691	10.6
686.08264	2.4
703.40155	86.8
704.39941	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	703.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.9
55.01865	5.9
55.05513	23.7
57.03428	6.6
57.07077	2.6
61.02924	11.3
63.27710	1.4
64.47321	1.3
65.03938	2.5
67.05502	29.6
69.03438	15.0
69.07072	11.7
69.09214	1.4
69.93796	3.2
69.94211	5.4
71.01348	1.4
71.04987	4.8
73.02921	3.9
79.05496	24.0
81.03417	28.1
81.07051	24.7
83.04972	9.4
83.08619	10.9
85.02901	10.7
85.06541	2.6
89.06038	1.6
91.03986	2.5
91.05473	22.2
93.07034	19.7
95.04984	10.6
95.08594	15.1
97.02912	11.3
97.06509	6.2
97.10168	11.7
99.04437	3.9
99.55056	1.4
105.04496	1.8
105.07036	19.6
107.04943	5.1
107.08588	10.7
109.02864	7.2
109.06522	4.5
109.10159	8.6
111.04430	3.5
111.08080	2.7
115.05450	2.4
117.07027	12.2
119.08594	15.5
121.06472	3.1
121.10158	7.7
123.08094	3.1
125.09633	9.3
127.03936	5.7
128.06255	5.0
129.07033	8.0
131.08562	17.4
133.06447	3.1
133.10136	12.1
135.08067	4.0
135.11694	3.3
141.07008	3.9
142.07753	3.6
143.08557	14.9
145.06461	2.5
145.10115	11.6
147.08002	3.5
147.11699	7.0
149.02264	2.3
149.09618	4.3
149.13278	2.7
153.06982	2.1
153.09169	1.5
153.12805	2.2
155.08577	6.6
156.09370	1.8
157.10097	11.6
158.84908	1.7
159.08092	3.6
159.11731	9.5
161.13258	3.9
163.11166	3.8
164.63133	1.6
167.08559	3.8
169.10121	8.9
171.08052	3.4
171.11613	7.4
173.04482	7.1
173.09583	1.9
173.13281	6.7
175.11107	2.2
179.08578	2.3
181.10158	4.6
181.12265	2.5
183.08194	2.0
183.11717	7.4
185.09601	3.4
185.13235	5.3
187.11290	2.5
187.14836	2.2
189.11246	5.7
193.10175	2.7
193.12158	2.2
195.11739	5.3
197.09625	2.3
197.13287	4.7
199.14803	2.2
207.11693	2.1
209.13248	3.9
211.11349	2.2
211.14891	2.6
213.12733	2.0
221.13257	2.9
223.14963	3.0
227.12607	7.9
237.16371	1.7
257.18942	2.2
259.20480	2.8
275.20154	8.9
283.15326	1.7
291.19528	2.4
295.20694	2.5
297.22110	9.0
313.21585	2.0
325.21738	1.7
333.44540	1.8
337.21738	2.3
341.21094	1.7
403.29889	1.6
421.31302	2.1
431.29660	3.5
449.30469	6.5
467.31436	5.5
505.33081	1.8
513.35895	2.1
523.34253	11.2
531.35956	2.3
541.35223	100.0
542.35620	5.0
559.36597	4.1
566.62421	2.0
583.35883	3.1
649.37079	2.2
667.37805	2.3
685.39026	4.8
703.40295	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86983	0.7
53.03946	0.7
55.01858	1.2
55.05262	1.1
55.05508	14.2
57.03434	3.0
57.07077	8.9
61.02923	1.3
65.03929	0.9
67.05502	18.3
69.03413	2.3
69.07056	4.6
70.63647	1.2
70.64043	1.2
71.04971	0.8
71.08639	4.5
73.02914	1.7
73.06541	1.0
79.05492	8.3
81.03405	1.7
81.07053	14.1
83.04993	1.3
83.08619	8.9
85.02892	1.3
85.06514	0.8
85.10165	2.1
86.09706	0.7
87.04465	2.0
89.06025	16.9
91.05463	3.9
93.07040	8.8
95.04984	0.9
95.08051	1.0
95.08603	11.8
97.10168	16.8
105.07014	3.6
107.07056	1.6
107.08598	8.4
109.10161	7.2
111.08060	1.5
117.06973	1.2
119.08588	2.8
121.10138	3.9
123.11724	1.7
125.09629	17.2
125.10548	0.8
127.03890	1.0
131.08545	2.3
133.08603	8.8
133.10138	2.0
135.08028	2.3
135.11682	2.9
145.10097	1.7
147.11702	1.2
149.13226	1.2
150.80927	0.6
159.11676	0.9
161.13298	1.4
163.14734	1.1
171.10210	1.0
173.13217	1.1
175.14902	0.8
177.11215	3.4
184.07327	2.1
187.14922	0.8
189.11234	13.3
227.12769	19.7
227.20049	100.0
243.21062	2.4
245.13841	29.2
258.50549	0.7
261.22141	8.3
271.22742	1.7
279.23248	0.8
317.24753	1.0
335.25806	27.2
468.37582	1.9
487.34015	1.5
505.28040	1.1
505.35165	18.6
587.32758	0.7
632.36383	0.8
645.22839	0.6
702.50024	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16409	0.6
56.05029	0.7
57.76406	0.7
60.08162	7.1
67.05493	1.8
69.83431	0.6
71.07383	3.4
71.32126	1.5
81.07038	1.3
86.09705	33.7
93.07080	1.0
97.06445	0.6
98.98457	3.6
104.10735	3.3
109.10126	0.9
125.00006	21.6
142.12505	0.7
184.07341	100.0
216.64723	0.6
269.17618	1.9
311.25821	0.9
351.28830	0.9
505.38803	2.2
577.89130	0.8
618.27557	0.8
702.46619	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	703.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.7
53.03938	15.2
55.01864	14.9
55.05511	39.2
55.90845	2.3
57.03432	13.3
59.05006	3.0
61.02910	4.1
65.03948	4.3
67.05505	67.4
69.03425	30.6
69.07067	26.5
71.04973	9.4
72.68978	2.7
73.02897	3.1
79.05491	63.4
81.03418	100.0
81.07058	78.7
83.04972	21.8
83.08618	21.8
85.02901	21.5
85.06535	5.4
91.03943	4.5
91.05477	77.4
93.07038	56.4
95.04970	38.3
95.08604	35.6
97.02891	22.2
97.06538	14.7
97.10150	12.4
99.04461	7.1
99.08121	2.8
103.05463	3.7
105.04541	2.3
105.07033	65.1
107.04948	18.4
107.08592	34.3
109.02877	16.0
109.06544	13.5
109.10152	18.3
111.04440	8.6
111.08070	11.4
115.05448	4.9
116.06235	2.9
117.07021	25.8
119.04935	2.3
119.08578	44.4
121.06482	9.1
121.10115	20.0
123.04404	5.9
123.08080	7.7
123.11697	6.9
125.09610	9.6
127.03919	11.4
127.72605	2.4
128.06210	6.8
129.05487	3.8
129.07005	21.1
131.08536	31.3
133.06430	13.2
133.10132	31.0
135.04399	2.7
135.08038	8.1
135.11676	9.2
137.05888	2.5
137.09602	5.9
141.07005	4.5
142.07784	4.9
143.08533	17.1
145.06482	9.3
145.10114	25.1
147.08038	5.5
147.11690	27.9
149.05820	3.2
149.08562	2.7
149.09596	14.7
149.13232	4.2
151.11142	4.0
153.08981	3.1
153.12669	3.4
155.08569	10.6
157.06522	4.5
157.10139	19.1
159.08029	5.9
159.11688	16.4
161.09593	5.6
161.13254	9.4
163.11223	11.6
165.12746	6.2
167.08589	5.5
169.10130	7.0
171.08015	4.9
171.11678	10.6
173.04431	10.3
173.05800	2.9
173.09584	8.0
173.13213	6.1
175.07574	2.5
175.11168	10.4
181.10138	4.5
181.12227	3.5
183.11652	6.0
184.37100	2.5
185.13225	4.8
187.11136	4.0
187.14755	3.3
189.09128	2.7
189.11185	4.1
191.10677	3.7
193.10506	3.9
193.12218	28.6
195.11697	5.4
197.09552	3.7
197.13176	4.3
199.11299	3.9
209.13138	2.8
211.11253	5.2
211.13257	35.6
227.12689	3.4
239.17972	3.0
249.14877	2.9
257.18991	10.9
267.15924	14.0
273.14905	4.5
275.20029	45.8
285.16953	7.0
293.20999	3.6
297.21857	3.3
301.14130	3.4
313.21579	4.3
331.22601	4.3
349.23706	8.7
355.17770	3.8
355.22617	2.4
375.18118	3.7
377.46213	2.5
383.22260	3.7
449.30362	3.3
467.31799	6.2
513.35156	3.2
523.34290	5.8
541.35339	37.0
559.36053	7.5
576.84186	2.6
583.07080	2.6
649.37341	4.0
667.38098	8.2
685.38818	9.1
703.29047	3.8
703.40521	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.01864	4.1
55.05504	28.7
57.03437	8.4
57.07066	6.0
57.63365	2.3
60.62148	2.5
67.05503	62.9
69.03412	6.6
69.07066	18.0
71.04990	3.3
71.08635	3.2
71.58025	3.0
79.05499	31.6
81.03413	33.7
81.07054	50.3
83.04993	3.0
83.08613	24.0
85.02905	3.6
85.06553	2.7
86.09694	5.1
89.06015	2.8
90.16454	2.3
91.05473	23.7
92.85817	2.5
93.07031	25.4
95.04985	13.5
95.08607	33.2
97.02885	2.6
97.10165	33.4
105.07037	12.7
107.04929	4.1
107.08595	20.8
107.88251	2.3
109.06548	2.8
109.10153	17.6
117.06982	4.7
119.08588	15.7
120.81134	2.7
121.10136	14.5
123.11717	3.4
125.00037	3.6
125.09629	28.4
129.06995	4.7
131.08562	7.5
133.10124	7.5
135.11682	7.7
145.10043	3.1
147.11659	8.7
153.09082	2.7
157.10069	4.9
159.11699	3.9
161.13185	3.1
163.11143	2.6
173.11646	3.6
175.11131	3.2
184.07368	16.7
189.11211	27.7
193.12198	7.2
196.72128	2.3
227.12756	34.5
227.20166	13.2
234.76514	2.8
245.13841	55.3
249.14896	3.5
261.22079	10.4
267.15863	3.2
298.12778	2.3
306.27606	3.4
311.37149	2.7
318.84491	3.2
335.25793	34.8
337.27283	3.5
466.73621	3.0
468.37213	8.5
505.35172	16.8
529.38861	100.0
530.39282	2.9
574.86194	3.0
656.94952	2.4
700.74054	3.5
702.43347	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	701.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
56.82348	0.4
63.38742	0.3
63.54171	0.3
69.03444	0.6
75.98827	0.3
77.36853	0.4
79.01609	0.8
81.03420	1.1
81.07042	1.2
83.05003	0.5
85.02917	0.6
91.05492	0.8
93.07043	1.0
95.04960	0.6
96.08135	0.4
97.02892	0.4
97.06551	0.4
98.20757	0.6
103.05468	1.0
105.07040	0.6
107.04950	0.8
108.32298	0.3
109.02869	0.5
109.10176	0.4
119.51783	0.4
121.06545	0.4
121.10246	0.5
127.03912	0.5
131.04951	1.9
137.05998	1.4
138.09143	1.1
141.05257	0.9
147.04318	0.6
149.18558	0.4
151.03899	0.6
151.91319	0.4
153.01849	1.2
161.06001	0.7
163.07623	0.8
166.08673	1.0
167.07082	1.2
172.03926	0.7
179.06789	2.9
181.08670	0.4
185.04262	0.6
185.05817	0.9
204.07741	2.0
205.08411	0.4
213.09845	0.3
221.07933	0.5
229.74387	0.4
234.08592	0.5
259.09506	0.6
277.10629	0.6
279.08197	0.4
287.05661	1.1
295.11569	1.3
303.05222	0.5
305.09897	4.3
323.10956	7.6
323.14499	0.4
336.10526	0.4
339.10544	1.8
341.11996	5.1
358.15448	0.5
404.40662	0.4
506.19781	0.5
507.19437	2.0
539.22479	0.5
648.44592	0.4
671.27570	0.6
701.27765	100.0
701.48718	3.0
702.28052	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	701.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71294	0.4
55.05517	1.1
67.05508	1.4
69.03445	0.7
79.05507	1.0
81.03422	0.9
81.07067	1.3
83.05036	0.5
91.05496	1.2
93.07047	0.6
95.08604	1.2
102.09187	0.4
102.69544	0.5
105.07024	1.0
105.25056	0.4
107.08599	0.5
109.06504	0.6
117.07012	0.5
128.36494	0.4
133.10194	0.5
145.10033	0.4
161.56619	0.5
171.16417	0.4
173.03224	0.5
183.71887	0.5
185.04285	0.7
203.05331	1.7
242.45926	0.4
259.08002	1.5
314.49176	0.5
321.22763	1.0
347.09518	1.1
365.10645	2.3
421.13321	0.6
539.31915	16.1
540.31982	0.6
606.17841	0.5
701.37170	100.0
702.37701	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	15.6
55.01862	8.4
55.05507	43.0
57.03440	22.4
61.02919	16.6
65.03931	6.5
67.05505	75.6
69.03426	48.4
69.07068	25.1
71.04996	10.5
71.08624	4.2
71.49751	4.4
71.58499	3.4
71.58923	6.4
73.02914	11.6
73.93050	4.0
79.05495	86.8
79.07646	3.8
81.03418	75.2
81.07059	71.6
83.04971	24.1
83.08627	16.9
85.02903	28.7
89.43854	4.3
91.03962	7.6
91.05476	72.0
93.07041	61.1
95.04973	25.3
95.08609	56.4
97.02892	35.8
97.06508	8.1
97.10168	10.0
99.04450	12.5
101.02399	5.4
105.07041	46.9
107.04958	15.1
107.08597	27.8
109.02866	11.9
109.06529	10.8
109.10172	23.0
111.04417	8.5
111.08073	5.1
115.05500	7.7
117.07013	41.7
119.05038	4.5
119.07774	7.4
119.08567	52.3
121.06487	7.9
121.10134	20.9
123.08070	8.6
125.09634	8.8
127.03931	13.4
128.06223	10.8
129.05493	7.2
129.07001	38.1
130.07863	4.6
131.08556	34.2
133.06535	5.7
133.10132	26.6
135.08104	6.5
135.11716	13.0
137.09676	5.8
141.07010	15.2
142.07784	9.4
143.08539	35.1
145.06476	9.5
145.10135	38.0
147.11705	25.4
153.06976	4.6
155.08527	32.0
157.06432	4.8
157.10081	26.0
159.11708	19.0
161.13269	16.5
163.11174	8.0
163.14969	4.1
167.08533	11.3
169.10094	33.2
171.11711	28.4
173.04497	20.5
173.13235	10.0
179.08611	7.1
181.10176	22.6
183.11734	26.1
184.07585	5.8
185.13206	16.8
187.11089	6.6
187.14824	4.5
189.12773	4.5
193.10106	14.2
195.11694	17.8
197.13280	18.0
199.14827	11.7
201.12845	4.9
203.08485	5.0
207.11774	8.7
207.13947	5.0
209.13318	18.1
211.14850	18.7
219.11729	4.6
221.13356	13.0
223.11208	7.2
223.14783	12.0
225.12781	4.7
225.16443	6.3
231.17604	4.3
259.20551	9.0
271.20486	7.1
281.17294	10.3
290.33517	5.2
295.20648	5.1
313.21451	5.0
321.21918	7.0
323.23718	6.3
337.24921	5.1
349.21521	6.3
447.32562	18.6
465.33450	6.4
483.34619	5.0
521.36334	14.1
529.39087	7.0
537.35785	6.7
539.37378	100.0
557.38080	10.1
647.39417	9.9
665.39355	5.4
683.41370	10.5
701.41931	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
55.05505	1.5
57.03438	1.7
59.05009	0.6
60.54152	0.6
61.02927	3.3
67.05511	3.1
68.46391	0.6
69.03417	2.9
69.07074	1.6
71.04994	2.2
71.13510	0.6
72.76011	0.6
72.79793	0.7
72.96056	0.6
73.02909	3.3
79.05492	3.1
81.03416	3.9
81.07068	4.4
83.04977	1.3
83.08604	1.1
85.02907	3.4
91.03978	1.7
91.05489	3.1
91.61570	0.6
93.07016	3.9
95.04956	1.7
95.08631	1.3
97.02901	4.3
97.06568	1.2
98.20718	1.4
99.04482	0.9
101.02417	1.0
105.07015	1.8
107.04983	1.0
107.08571	3.2
109.02932	0.7
109.06561	0.6
109.10175	0.9
111.04478	0.6
119.08607	2.8
121.10172	2.2
127.03938	0.9
129.07033	1.2
131.08629	1.4
133.10158	2.0
135.11703	2.6
145.10152	0.7
147.11697	1.8
149.09610	1.5
157.10144	0.9
164.81149	0.7
175.11171	0.9
193.12283	1.1
221.11531	0.8
229.93413	0.8
243.08496	1.8
253.14098	0.7
267.15762	0.8
283.15207	2.5
339.17993	0.8
439.19278	6.8
453.21194	0.9
464.52646	0.7
469.20355	1.7
501.22989	8.0
543.91638	0.7
607.06799	0.6
681.34589	2.4
699.35535	100.0
700.35767	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	697.376
Annotation	Hexamollamide
Peak:m/z	Relative Intensity
55.05509	1.6
57.03432	1.4
61.02925	4.2
61.75842	0.5
67.05505	5.6
67.39337	0.5
67.70457	0.5
69.03448	3.2
69.07066	1.8
71.04987	3.2
73.02896	3.6
73.58186	0.5
75.32107	0.5
79.05489	2.9
81.03429	2.1
81.07050	6.7
83.04951	0.6
83.08617	0.8
85.02910	3.8
85.06549	1.0
91.03961	3.5
91.05487	2.6
93.07030	5.3
95.04964	0.6
95.08589	1.6
97.02880	5.5
97.06529	1.2
101.02410	1.7
105.07060	1.6
107.08584	2.9
109.02897	1.2
109.06514	1.0
109.10155	2.3
117.07046	1.0
119.08624	0.7
121.10151	1.5
127.03945	1.1
131.08575	1.3
133.10167	1.9
149.13272	1.9
151.11215	0.7
159.11678	1.1
167.52522	0.7
185.04208	0.7
235.13141	0.9
243.08443	2.3
243.16127	0.6
263.24344	0.7
267.15695	0.8
413.17993	2.6
453.20938	8.2
485.23822	5.5
499.21582	0.7
564.32129	0.6
567.31940	3.0
596.31873	1.0
622.67664	0.7
625.31934	12.2
626.31866	0.9
697.37634	100.0
698.37793	5.1
701.52094	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	1.2
69.34056	0.4
69.89719	1.3
69.90138	0.6
79.05489	0.4
81.03427	0.7
91.05492	0.5
93.07023	0.5
95.04973	0.4
95.08600	0.5
102.98619	0.3
107.08568	0.4
121.10198	0.3
127.76974	0.3
133.10149	0.5
175.70103	0.4
185.04291	0.5
191.70184	0.3
207.54366	0.4
217.62405	0.4
254.19446	0.4
276.61957	0.3
301.20126	0.8
319.21307	0.4
347.09589	0.9
537.30292	14.5
538.30975	0.8
692.77625	0.3
699.35583	100.0
700.35876	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	699.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02406	0.5
53.03962	0.8
55.05509	1.1
57.03443	1.7
61.02925	4.5
67.05196	0.8
67.05505	4.8
68.44118	0.5
69.03418	2.7
69.07061	1.3
71.05003	2.7
71.58157	0.6
73.02917	3.3
74.74906	0.6
76.87373	0.5
77.95036	0.5
79.05474	3.2
81.03418	5.1
81.07062	3.2
83.05003	0.7
83.08627	1.0
85.02900	5.7
85.06548	0.7
91.03961	2.2
91.05479	3.8
93.07027	3.4
95.04994	1.3
95.08629	1.5
97.02894	4.1
97.06587	0.8
99.04499	0.6
101.02373	1.7
105.07046	1.5
107.08603	1.4
109.02895	1.1
109.10162	2.3
111.04453	0.6
117.07021	0.9
119.08595	1.8
120.63352	0.6
121.10173	1.4
127.03915	1.5
129.07034	0.8
131.08586	1.2
133.10168	1.6
133.66106	0.6
135.11699	1.4
137.06061	0.8
137.09621	1.0
145.10162	0.9
147.11768	0.9
153.01761	0.6
157.10155	0.9
159.08035	0.6
167.07083	0.5
168.91074	0.7
173.11783	0.7
175.11298	1.0
177.12712	0.5
177.33034	0.5
193.12259	1.0
211.13359	0.6
222.64351	0.5
243.08437	2.0
243.15887	0.7
246.02745	0.6
251.12628	1.0
267.16129	0.5
332.60123	0.6
453.20987	1.5
469.20444	6.7
471.21933	4.7
487.21878	0.8
652.54834	0.6
655.32813	0.6
681.34674	1.2
699.35504	100.0
700.35785	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	697.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.05518	2.3
57.03432	3.2
61.02924	5.1
67.05496	4.5
69.03416	1.8
69.07071	2.0
73.02914	3.7
79.05501	5.0
81.03429	1.8
81.07064	4.6
85.02924	7.7
85.03374	1.3
91.03950	5.8
91.05479	2.5
93.07046	4.8
95.04980	1.5
95.08633	1.8
97.02894	5.6
97.06548	1.3
99.61747	1.3
105.07043	1.9
107.08615	3.7
109.02919	1.5
109.10188	1.5
119.08661	1.2
121.10147	2.0
127.03931	3.6
129.05499	2.6
134.36925	1.3
135.11739	1.8
140.96434	1.4
149.13257	2.0
185.04202	9.2
195.06467	1.4
201.03749	3.9
203.05319	3.4
235.13158	3.4
243.08389	5.9
244.89735	1.6
269.17456	1.7
301.08914	21.5
313.08838	1.4
315.10571	4.3
333.16757	5.6
341.12210	1.9
371.16855	2.8
373.10928	8.6
379.17413	4.0
383.16867	4.0
385.18307	10.4
387.12845	4.1
417.26108	3.8
425.21640	2.8
429.17322	1.6
443.18912	7.7
453.20966	20.1
457.20764	2.1
463.26642	1.5
469.20465	7.0
483.22086	5.8
484.23013	3.8
485.19125	2.1
497.24484	1.3
512.22180	3.0
525.23120	10.3
527.28381	2.0
539.24243	2.9
553.26758	4.0
558.04175	1.5
567.31482	41.2
568.32355	1.7
579.31879	3.6
595.30823	7.7
596.31592	2.6
609.32758	1.6
635.33875	1.7
637.31738	2.0
651.33417	42.1
652.33398	1.7
654.10065	1.4
679.33105	3.5
695.32379	3.2
697.34009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.34
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
53.87534	0.8
54.67329	0.9
55.05495	2.0
57.03417	3.6
57.03678	1.0
57.70462	0.8
61.02915	6.6
67.05171	1.2
67.05503	13.5
69.03436	4.1
69.07060	1.8
69.94863	4.7
71.04991	1.7
73.02919	4.4
79.05492	4.3
81.03399	3.6
81.03989	0.7
81.07059	6.8
83.04983	0.8
83.08614	2.0
85.01364	0.7
85.02905	6.5
87.04472	1.1
89.06013	1.0
91.03943	4.0
91.05476	2.5
93.07036	3.5
95.08598	2.4
97.02903	6.7
99.04462	1.6
101.02341	1.9
101.42252	0.8
105.07030	2.0
107.08588	1.4
109.10149	10.4
111.08092	1.3
115.03934	1.2
117.06971	0.9
118.38338	0.8
119.08592	1.9
123.44463	0.8
127.03938	2.1
129.05455	0.9
131.08575	1.3
133.10175	1.2
149.13266	1.1
153.01845	1.4
173.11722	2.9
185.04208	3.1
199.16939	1.6
201.03748	1.1
203.05295	1.1
215.66696	0.8
218.54703	0.9
221.11563	1.4
229.14375	3.0
235.13152	1.3
239.46516	0.8
243.08379	4.0
262.22421	0.9
265.14053	1.3
269.17575	1.0
301.08960	6.0
315.10638	2.6
329.12317	1.2
335.22562	1.0
358.16495	1.3
358.66476	2.3
369.15195	1.5
371.16882	3.7
372.89288	0.8
373.11044	3.6
381.15265	1.0
385.18628	2.9
389.26599	1.1
405.27338	0.9
413.17850	24.0
425.21451	3.5
429.17502	2.2
453.20908	4.5
461.10825	1.0
463.26810	2.6
469.20639	1.1
483.21988	2.3
484.22852	1.9
485.19901	8.0
497.23676	1.8
499.21411	3.3
527.24780	1.3
541.26245	5.2
553.29565	2.4
567.31415	22.2
568.31464	1.5
596.31702	6.3
597.33295	1.2
625.31903	100.0
626.32294	3.1
628.30908	4.5
651.33698	9.7
697.33997	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.34
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86034	0.7
55.05511	1.4
57.03437	0.9
58.74358	0.9
61.02929	5.2
67.05507	1.9
69.03432	1.7
69.43630	8.0
72.21871	0.9
73.02900	2.3
79.05497	2.3
81.03417	5.3
81.07072	4.1
83.04993	1.5
83.08626	2.1
85.02906	5.5
91.03933	2.2
91.05476	2.8
93.07065	2.2
95.04988	2.8
95.08585	1.7
96.69746	1.0
97.02895	4.0
97.06543	0.9
99.04446	1.0
101.02399	1.2
105.07028	3.1
107.04973	1.4
107.08611	1.6
109.10199	1.2
111.08123	1.6
119.08628	3.1
121.10175	0.9
127.03975	1.0
131.08572	1.7
133.10158	2.3
137.94807	1.0
147.11697	2.1
157.10110	1.6
175.11200	1.3
187.51300	0.9
191.72136	0.9
193.12318	1.7
243.08487	2.5
288.72665	1.0
469.20538	11.6
596.33337	1.0
697.34027	100.0
698.34540	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.34
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98581	1.2
55.05512	2.0
57.03431	3.4
57.07059	1.1
61.02921	4.9
67.05495	4.0
69.03416	3.3
69.07067	1.4
69.39758	8.3
73.02910	3.2
73.89903	0.8
79.05479	1.7
81.03419	2.6
81.07044	3.6
85.02895	7.0
91.03960	5.1
91.05513	1.4
93.07046	3.8
95.08591	1.5
97.02889	7.1
99.04491	1.1
101.02394	1.2
107.08591	2.6
107.90704	0.7
109.02832	1.0
109.10092	1.4
121.10130	1.2
127.03911	1.8
129.05466	2.4
133.10159	1.6
135.11734	1.3
140.58643	1.2
142.54187	1.1
145.04985	1.5
149.13310	1.2
184.03450	1.2
185.04182	7.8
195.13815	1.5
199.05754	1.1
199.92546	0.9
201.03688	2.3
203.05151	1.7
235.13062	5.1
243.08452	6.1
277.17395	1.0
301.08957	20.1
301.12192	1.6
315.10574	6.1
327.10419	1.1
329.12628	1.1
333.16809	3.5
347.18573	1.3
355.14139	1.3
357.15347	1.2
369.15363	1.7
371.16898	4.2
373.11105	13.1
379.17358	3.5
383.16946	2.7
385.18253	12.9
387.12653	4.1
415.16095	1.5
417.25995	5.8
417.31088	1.1
423.19977	1.0
425.21478	3.1
429.17337	3.6
453.20895	20.5
455.19464	1.0
457.20477	3.6
463.26639	1.2
467.19128	1.6
469.20499	11.1
471.22101	1.9
483.21954	4.5
484.22934	5.3
485.19495	2.1
512.22247	5.0
513.24774	1.2
516.21570	2.1
518.17401	1.1
525.23138	11.3
539.24585	2.2
553.27667	2.1
567.29401	1.3
568.31927	3.7
595.30865	7.6
596.31213	5.2
602.30548	1.2
609.32294	1.9
625.32007	1.5
635.33514	1.1
637.32135	3.1
651.33459	2.7
679.32544	4.3
680.33484	1.9
697.33960	100.0
698.34290	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	697.316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.0
56.96563	2.6
61.02929	1.8
67.05501	4.2
69.03431	2.8
69.07082	1.4
71.58183	2.4
73.02937	1.8
79.05512	2.1
79.41970	1.1
81.03435	2.3
81.07045	3.8
82.51352	1.2
83.05000	1.8
83.08556	1.3
85.02906	3.7
91.03932	2.4
91.05466	2.8
93.07030	3.3
95.04951	1.5
95.08599	1.6
97.02890	3.3
99.04420	1.6
104.38845	1.5
105.07043	1.4
107.08614	2.3
109.02867	1.3
109.10151	2.7
116.98595	1.6
119.08541	1.5
121.10149	1.7
133.10081	2.7
135.11708	1.4
149.01131	1.4
162.61894	1.2
213.08040	1.3
218.45485	1.4
243.08496	1.9
267.09140	4.1
269.10699	2.5
285.10162	5.6
287.11783	1.7
301.09143	1.7
373.11111	2.6
385.18686	1.9
432.87421	1.5
453.21078	4.6
467.17673	1.4
485.17178	2.8
487.18481	3.3
595.30872	1.5
679.32922	3.3
697.32794	100.0
698.33386	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	697.34
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38864	0.5
55.05505	1.3
56.75265	0.5
57.03431	1.7
61.02930	4.5
67.05501	4.7
68.72932	0.5
69.03425	2.6
69.07069	0.9
70.87411	1.4
70.87753	0.5
71.04993	0.8
73.02919	3.1
79.05495	3.3
81.03419	5.1
81.07053	4.4
83.08629	1.5
85.02904	6.2
85.87054	0.6
87.04456	0.8
91.03956	1.9
91.05476	4.1
93.07041	4.3
95.04972	2.6
95.08614	2.5
95.38268	0.7
97.02887	4.0
99.04451	1.2
101.02381	0.9
105.07036	3.5
107.04950	1.2
107.08590	2.0
109.06543	1.3
111.08070	0.9
117.07040	0.6
119.08598	2.1
121.10135	1.5
125.00040	0.7
126.98605	0.6
127.03905	1.7
129.05490	1.0
129.06996	0.9
131.08557	1.4
133.06447	0.6
133.10132	1.5
137.05969	1.0
140.75198	0.6
145.10165	0.7
147.11694	1.6
149.09637	0.7
153.01802	1.2
157.10159	1.7
163.11154	0.7
174.54474	0.6
177.05434	1.4
184.07326	2.7
185.04233	0.7
193.12288	1.9
210.78519	0.7
211.13275	1.5
214.17967	1.4
243.08450	1.7
251.12546	3.2
254.18488	0.7
283.08752	0.6
301.09052	0.9
307.15253	0.8
315.10562	0.6
325.73611	0.6
469.20462	11.0
471.21072	0.7
697.33795	100.0
698.34131	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	19.5
57.03432	9.3
57.07064	12.0
61.02912	27.9
61.22489	10.0
64.68481	10.5
67.05496	83.2
67.35907	13.8
69.07075	32.1
70.69058	27.1
79.05503	25.4
81.03407	17.5
81.07056	100.0
83.08629	26.5
83.34699	10.1
84.63018	10.1
85.02899	19.8
89.10637	10.6
90.28825	10.1
91.03941	25.9
91.05502	20.2
93.07047	38.7
95.04938	12.9
95.08585	56.7
97.02901	10.5
97.06522	10.4
100.82088	11.6
105.07084	11.6
107.08594	22.5
109.10164	53.7
119.08558	13.3
121.10115	25.9
123.11696	15.1
133.10135	23.2
133.19624	12.5
135.11749	10.9
161.13295	15.0
163.06090	11.4
163.14919	18.3
174.36101	13.6
175.14870	12.8
245.22635	48.6
263.23718	85.3
279.73013	10.8
337.27359	58.8
502.23233	10.4
505.20316	13.3
558.33307	12.2
725.68378	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53851	2.7
50.87874	2.5
53.03947	6.3
55.01863	10.0
55.05502	4.3
55.12904	2.7
63.46845	2.7
66.48302	2.7
67.05482	3.7
69.03422	10.5
70.06593	28.8
79.05486	38.8
81.03413	8.0
81.07050	6.4
83.08617	3.4
85.02895	18.7
91.05482	32.7
93.07036	32.5
93.08762	2.5
95.04978	10.3
95.60720	2.9
97.02904	4.1
97.06537	3.6
103.05450	36.2
105.07031	11.8
106.04158	2.7
107.04958	25.9
109.02911	7.1
111.08057	7.8
113.74985	2.7
115.05479	7.0
117.07021	5.7
119.04965	9.6
121.02878	9.4
121.06512	10.7
122.03672	4.2
123.08071	4.2
127.03938	6.8
129.06984	5.5
131.04922	54.7
131.08583	2.9
133.06514	5.8
135.08076	9.4
137.05968	100.0
139.07526	27.3
145.04977	4.7
145.06468	4.3
147.04420	11.4
149.05972	5.3
149.09567	3.8
151.03885	3.5
151.07536	33.5
153.01874	14.2
157.06532	4.7
161.05991	49.8
161.09647	10.5
162.06728	5.2
163.07545	62.9
167.07021	4.0
167.08514	3.1
174.06746	2.9
175.07523	22.2
177.05585	4.1
177.09081	13.3
179.07030	6.7
181.08611	16.2
189.09067	29.1
191.07019	4.3
195.08138	6.0
195.10046	3.1
201.09053	3.2
207.10156	55.4
219.08354	3.6
219.10046	15.4
223.07512	3.9
227.10587	4.6
229.40054	4.1
253.12402	3.4
265.08411	3.5
281.11539	4.3
285.11172	5.9
287.12769	15.3
297.11301	4.5
299.12662	4.6
303.04932	3.6
304.05334	3.1
311.12753	27.5
313.06967	9.9
313.14374	15.4
325.07071	15.5
331.15405	31.7
343.15344	10.1
382.12662	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75713	0.5
69.03278	0.6
76.54124	0.5
79.05315	0.8
79.05695	0.8
80.16593	0.5
81.03236	0.6
81.03655	0.8
85.02740	0.8
85.03153	0.8
91.05249	1.1
91.05761	0.8
93.05587	0.7
93.06140	0.6
93.06851	0.7
93.07338	0.7
94.06298	1.8
94.06935	1.3
95.08411	0.6
96.07921	0.9
96.08449	0.6
97.02691	0.7
103.05239	0.6
108.07814	4.5
108.08644	1.8
110.09425	1.2
120.04259	0.6
120.07784	3.3
120.08709	0.9
122.05711	2.6
122.09339	2.3
122.10287	0.8
122.49377	0.5
134.09373	0.7
136.07224	6.5
136.08391	1.6
138.08800	3.3
138.09926	1.3
146.05695	1.2
148.07211	2.9
150.08777	2.4
152.06783	0.7
153.01559	1.1
164.06781	1.1
180.09871	0.7
187.10883	0.5
197.10521	1.0
201.70807	0.6
209.10437	0.9
211.08467	0.6
211.12082	1.1
212.09068	1.0
213.13626	0.6
221.10280	0.8
223.08284	1.0
223.12056	1.1
224.09193	1.0
225.09808	4.9
225.13387	0.7
226.10669	1.7
227.11383	1.9
234.61650	0.5
235.08223	2.1
236.09113	1.0
237.10201	8.9
238.10600	2.2
238.12756	0.6
239.07886	1.1
239.11378	6.9
240.12289	1.0
241.09508	0.9
241.12965	1.0
248.09081	1.3
249.07819	0.7
249.10196	5.7
250.10574	1.8
251.07834	2.6
251.11732	6.4
252.12157	1.7
253.09747	4.8
253.13283	2.6
254.10112	0.8
255.10844	2.4
261.09790	2.1
262.10605	0.9
263.07950	0.9
263.11401	3.6
264.08636	1.2
264.11914	0.9
265.09363	8.0
265.12949	2.0
266.10065	2.4
266.13229	0.7
267.11285	11.6
267.14041	1.3
268.11829	0.7
269.12433	1.7
271.10434	0.7
273.09586	0.7
276.08447	0.7
276.63666	0.5
277.09760	3.9
277.12305	1.2
278.10352	3.7
279.11267	8.9
280.11966	2.8
281.08951	1.0
281.12457	5.3
282.09720	0.7
282.12997	1.0
283.10306	1.6
284.10953	0.6
285.11929	0.8
287.13678	0.8
289.09271	1.5
291.10822	2.4
292.11688	0.8
293.08862	2.6
293.12421	7.1
294.09653	2.5
295.10358	2.8
295.13998	1.9
296.11163	1.9
297.12378	3.5
298.12811	0.7
299.10025	0.9
299.13446	1.3
305.08432	0.6
307.10873	3.9
308.11292	0.9
309.08667	0.7
309.12332	4.7
310.12958	0.8
311.09918	1.4
311.13586	1.9
313.11414	1.2
314.12503	1.0
315.13260	1.0
317.08749	0.7
319.10391	1.0
321.11920	2.1
323.13605	1.7
325.11496	1.9
326.12622	2.8
327.12952	2.5
328.14120	0.9
329.14716	0.9
335.09836	0.8
337.11652	1.3
339.13367	8.4
340.14148	0.9
341.14954	7.7
342.15640	1.1
349.11444	1.3
353.11038	1.1
353.15002	0.9
354.15546	1.0
355.12689	1.2
358.15329	1.3
367.12616	2.2
369.14441	1.3
370.15057	1.0
372.16772	1.0
374.18500	0.7
381.14420	4.6
382.14938	1.1
383.16068	0.8
386.14148	0.9
397.13797	0.9
400.16220	1.7
402.17911	0.9
405.14053	0.7
409.13687	1.5
411.15140	1.9
413.17386	1.0
414.18231	0.7
418.17004	0.8
423.15375	1.3
427.15100	0.8
428.15674	1.1
429.16321	0.9
435.15039	0.8
437.13358	0.8
439.14771	1.2
441.16348	5.4
442.17032	1.3
448.22205	1.2
451.14749	1.7
453.16617	0.8
457.15439	0.9
458.16913	0.8
460.18405	1.9
461.13263	0.8
461.19507	0.8
469.15814	2.7
471.17651	1.2
476.21756	0.8
479.14343	3.0
483.17410	1.7
497.15491	0.8
499.16861	1.2
501.18713	5.3
502.19070	0.7
511.16965	2.9
516.21008	1.2
529.18182	1.9
544.20325	0.8
576.23090	1.4
586.21735	1.0
604.22620	3.2
608.25336	0.8
614.21155	1.0
621.23486	1.8
623.24323	1.3
632.22455	4.3
636.25537	18.7
664.24957	100.0
665.24878	3.2
682.25861	1.5
695.39941	0.7
696.27618	44.0
696.38910	2.4
697.28137	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04032	0.6
55.05595	0.4
65.04087	0.4
67.05593	0.6
69.03204	0.5
69.03535	0.6
69.36198	3.0
69.36623	1.0
71.31479	0.4
79.05257	0.4
79.05643	1.0
81.03590	1.3
81.07205	0.9
83.90728	0.4
85.02578	0.6
85.03068	1.1
91.05145	0.5
91.05634	0.7
93.05934	0.8
93.07218	0.9
94.06149	0.8
94.06768	1.7
95.05125	0.9
96.08282	0.8
97.03053	0.6
101.02544	0.4
103.05638	0.5
105.07171	0.4
106.06782	0.4
107.07548	0.7
108.07545	0.8
108.08327	4.6
110.09165	0.8
110.09888	1.8
117.05853	0.4
117.07252	0.4
118.06726	0.6
119.08748	0.5
120.04626	0.8
120.08355	3.7
122.06277	2.3
122.09905	2.3
124.07746	0.5
132.08241	0.7
133.02972	0.4
133.10387	0.5
134.06149	0.5
134.09839	0.6
136.07843	6.2
137.06206	0.5
138.09387	3.2
146.06195	0.6
147.04805	0.4
148.07848	2.4
150.09424	2.1
152.07309	0.5
153.02036	0.7
160.07785	0.8
164.07373	1.1
166.08940	4.5
167.07297	0.5
180.10420	0.7
182.11963	0.6
184.07501	0.7
190.08875	0.4
195.09346	0.5
197.11034	1.2
198.11938	0.5
199.08704	0.4
199.12592	0.7
209.10985	0.8
211.08957	0.8
211.12517	0.5
212.09648	1.0
213.10498	0.7
221.11024	0.7
222.11661	0.4
223.09006	1.3
223.12585	0.6
224.09790	0.7
225.10234	3.9
226.11330	1.0
227.12102	1.8
233.11142	0.4
234.11732	0.4
235.09077	1.8
236.09654	0.9
237.10214	6.0
238.11327	1.8
239.08492	1.5
239.11784	5.7
240.12769	0.6
241.10033	1.2
241.13463	0.6
248.09770	0.6
249.10205	6.1
250.10965	2.5
251.08583	1.8
251.11787	6.2
252.09221	0.8
252.12970	1.6
253.09697	4.0
253.13411	1.9
254.10806	0.7
255.11732	1.4
261.10614	1.7
262.11444	1.1
263.09183	0.7
263.12195	3.3
264.09326	1.6
264.12891	0.8
265.07056	0.4
265.10083	6.4
265.13635	1.3
266.10532	2.1
267.11285	10.4
268.12167	0.9
269.13205	1.3
271.11172	1.1
276.09149	0.6
277.09637	2.6
278.10434	2.8
279.08221	1.3
279.11246	9.2
280.12451	1.8
281.09583	1.5
281.13239	5.0
282.10275	0.8
282.14093	0.5
283.11142	1.4
285.12759	1.5
287.05872	0.4
287.14304	0.7
289.09760	2.0
290.10696	0.6
291.08264	0.9
291.11691	2.3
293.09579	2.2
293.13232	6.1
294.10382	2.3
294.13574	0.6
295.11157	2.2
295.14828	1.3
296.11951	1.6
297.12335	2.3
299.10837	0.5
299.14200	0.8
305.09564	0.4
307.10760	3.4
308.11877	0.9
309.09055	0.6
309.12259	4.5
311.10614	1.1
311.14282	2.0
312.11267	0.8
313.12091	0.8
314.13025	0.7
315.13867	1.4
316.15100	0.6
317.09528	1.0
317.12943	0.5
319.11072	0.8
321.12326	2.3
323.10800	0.8
323.14337	1.3
324.11465	1.0
325.11847	3.0
326.12698	2.5
327.13440	2.7
328.14743	1.2
329.15329	0.8
330.16306	0.5
335.10712	0.8
337.12164	1.7
339.13367	6.0
340.14590	1.1
341.15039	7.6
342.15985	0.6
349.12067	0.8
353.11481	0.9
353.15253	0.5
354.12524	0.5
355.13339	1.0
356.14157	0.7
358.15799	0.6
358.19598	0.5
363.13626	0.6
365.11478	0.5
367.13174	1.1
369.14795	1.0
370.15903	0.7
371.16586	0.9
372.17456	1.0
374.18961	0.9
381.14438	2.7
382.15988	1.0
383.16364	0.9
384.13452	0.6
386.14984	0.8
386.19409	0.8
391.13141	0.6
396.17358	0.6
397.14395	0.8
398.15112	0.6
400.16946	1.5
401.17307	0.6
402.18164	0.6
404.20151	0.5
405.14661	0.5
409.14325	1.7
411.15875	1.8
413.17734	0.9
414.18796	0.5
418.17743	0.6
423.15863	0.7
428.15970	0.5
429.17093	0.7
432.19571	0.9
433.14362	1.0
435.15802	0.5
437.13773	0.5
441.16699	4.9
441.22165	0.5
442.17697	0.6
444.19537	0.7
448.22668	0.7
451.15555	1.4
453.17007	0.5
455.14221	0.8
458.17181	0.8
460.19116	1.4
461.13770	0.9
461.19977	0.5
465.16739	0.9
467.14813	0.4
469.16153	2.3
471.18268	0.8
474.20859	0.9
476.22281	0.8
479.14539	2.0
481.16296	0.9
481.27948	0.5
483.17902	1.6
488.18106	0.5
493.16086	0.5
499.17490	1.5
501.18738	5.2
511.16946	2.4
516.21588	0.8
529.18689	1.3
532.21545	0.5
544.20465	0.7
546.22729	0.6
558.22833	0.8
564.23724	0.6
576.23590	1.3
586.22070	1.3
604.22949	3.0
608.25580	0.8
614.21155	0.7
621.23218	1.4
623.24689	1.2
632.22412	3.7
636.25531	17.3
637.25281	0.5
664.24976	100.0
665.25745	2.1
682.25848	1.4
696.27521	35.7
697.27826	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
53.96833	0.5
55.01860	0.9
55.05509	1.8
57.03430	2.0
60.08147	1.0
61.02928	4.6
64.18159	0.5
67.05508	5.3
68.05826	0.8
69.03436	3.4
69.07069	1.9
70.15849	1.0
70.16216	2.2
71.04988	1.4
73.02914	2.5
79.05495	4.9
81.03423	6.4
81.07056	4.8
82.03751	0.7
83.04975	2.0
83.08616	2.5
83.89127	0.5
85.02896	5.5
85.06524	0.5
86.09706	2.6
87.10036	0.6
91.03967	2.8
91.05470	4.7
92.05733	0.5
93.07047	4.4
95.04969	3.1
95.08602	2.8
97.02901	3.4
97.06554	0.8
99.04454	0.9
101.02408	1.1
105.07016	3.5
107.04953	1.2
107.08605	2.7
109.02901	0.7
109.06515	0.6
109.10164	1.4
110.10535	0.7
111.08103	1.5
117.07034	0.9
119.08567	3.1
121.10155	1.8
123.08094	0.5
125.00015	2.0
127.03954	1.6
129.07010	1.4
131.08614	1.2
133.10100	2.3
135.08099	0.7
135.11673	3.3
137.09631	0.8
145.10138	1.9
147.11684	1.7
149.09662	0.6
153.01846	0.8
157.10167	1.4
163.07451	0.5
163.11188	3.0
167.70656	0.5
175.11214	1.3
181.12216	0.6
184.07332	9.3
185.04425	0.4
185.07710	1.3
193.12312	2.0
194.12651	0.6
211.13307	1.2
212.13683	0.6
215.10532	0.5
219.09979	1.0
227.12820	1.9
243.08481	1.6
249.10942	6.3
251.12550	0.6
267.15958	1.1
268.16348	1.1
269.17404	1.6
270.17844	1.0
285.17010	0.8
287.05804	0.5
305.13690	0.7
359.76956	0.5
422.26535	0.6
439.26932	0.6
440.27216	1.3
454.28802	1.0
461.29227	0.7
462.29166	2.1
466.28979	1.0
467.18921	7.9
469.20432	11.3
480.30914	0.6
497.30408	0.7
498.31186	1.4
693.01678	0.6
695.32300	100.0
696.32526	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	696.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69115	0.5
60.08139	0.8
61.93132	0.5
65.03931	0.6
67.40031	0.5
68.70399	0.4
69.03416	1.4
69.40211	3.3
69.40628	1.5
78.33225	0.5
79.05491	1.0
81.03405	1.0
86.09702	1.9
91.05477	1.2
93.05794	1.2
93.07038	0.7
94.06568	2.2
96.08140	1.2
97.02885	0.7
97.06518	0.9
98.21576	1.1
98.62974	0.6
101.11688	0.5
103.05495	0.8
105.07034	1.2
105.42901	0.5
106.06533	0.8
108.08128	5.6
109.02882	0.6
110.09689	1.7
117.33767	0.5
118.06539	0.5
120.04455	1.3
120.08089	2.9
122.06032	1.9
122.09666	2.5
124.99995	2.0
131.04950	2.1
134.09654	0.5
136.07558	7.4
136.08400	0.6
137.05939	3.2
138.05522	0.6
138.09175	2.7
146.06017	1.0
148.07585	1.9
150.09142	3.1
151.07520	0.7
152.07053	1.2
153.01828	1.1
158.09680	0.5
160.03854	0.5
161.06093	0.6
163.07574	1.6
164.07074	1.4
166.08632	3.4
172.04016	0.5
177.09175	0.7
178.08643	0.6
180.10240	0.7
184.07333	8.3
187.51242	0.5
195.93011	0.5
196.09863	0.6
197.10741	0.7
204.06619	0.8
206.08191	0.6
207.10127	1.0
209.10835	1.3
210.11517	0.7
211.08691	0.6
211.12358	0.8
212.09445	1.2
213.10251	0.6
223.08792	0.8
223.12132	0.5
224.09427	0.9
225.10287	4.6
226.10965	1.3
227.11819	1.6
227.97241	0.7
235.08702	1.4
236.09430	1.7
237.10219	7.0
238.10985	0.9
239.08112	1.7
239.11748	4.6
240.12598	0.7
241.09773	1.3
241.13490	0.7
249.10110	3.6
250.11043	1.3
250.25186	0.6
251.08253	1.7
251.11780	4.3
252.08878	0.9
252.12653	1.0
253.09712	3.1
253.13429	1.7
255.11351	1.7
261.10367	1.7
263.08377	0.9
263.11856	2.6
264.08945	1.4
264.12454	0.8
265.09756	6.1
265.13287	1.0
266.10532	2.1
267.11249	8.6
268.11993	1.2
269.12991	1.3
277.09830	2.1
278.10535	2.3
279.08044	1.0
279.11227	5.7
280.12036	1.4
280.30820	0.6
281.09537	0.9
281.12924	4.7
283.10764	1.3
285.12476	1.2
287.05777	0.5
287.14072	0.8
289.09558	0.8
291.11337	1.8
293.09283	1.9
293.12900	4.4
294.10007	1.4
295.10745	1.2
295.14456	1.1
296.11563	1.1
297.12204	2.4
299.10425	0.7
305.09326	0.7
305.12564	0.7
306.09946	0.9
307.10916	2.8
309.08923	1.1
309.12357	3.3
311.10349	1.3
311.13882	1.7
312.11441	0.8
313.11560	0.9
313.14871	0.7
314.12723	1.1
315.13644	1.0
319.10754	0.9
321.12314	1.7
323.10718	0.6
323.14236	0.6
324.11136	0.7
325.11871	1.7
326.12708	1.5
327.13406	2.7
328.14185	0.7
329.15439	0.9
331.15350	1.0
335.10287	1.2
337.11868	0.8
339.13400	5.4
341.14954	3.7
344.17896	0.7
349.11682	1.0
353.11206	1.0
355.12964	0.7
357.14804	0.7
358.15424	1.0
366.12277	0.7
367.12970	1.4
368.13458	0.7
369.14706	1.2
370.15491	0.7
371.16388	0.6
372.17172	0.9
374.18423	0.7
381.14569	2.2
399.15643	0.9
402.18207	0.8
411.15451	1.2
414.18155	0.9
420.19473	0.6
423.15485	0.9
427.14957	0.7
428.15988	0.7
437.13602	0.7
441.16461	3.7
442.17416	0.7
451.15094	0.8
460.18610	0.9
465.17282	0.6
469.16034	2.0
479.14502	0.8
483.17883	1.6
501.18750	3.6
502.19858	0.8
511.17245	0.8
516.21576	0.7
529.18481	0.7
562.20575	0.6
576.23236	1.2
586.21368	0.9
604.22943	1.9
608.25574	0.7
620.26001	0.7
621.22919	0.6
623.24768	1.6
636.25519	4.1
664.24963	18.7
696.27551	100.0
697.28210	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	695.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01862	0.9
55.05499	3.7
56.56871	0.8
57.03431	3.6
61.02920	4.2
67.05505	13.7
68.05843	1.4
69.03433	2.9
69.07057	2.8
70.74348	2.0
70.74719	1.7
71.04990	2.9
73.02914	3.9
79.05486	5.9
81.03419	11.0
81.07052	8.1
82.03753	1.5
82.07390	2.2
83.04977	3.1
83.08620	4.6
85.02906	5.1
85.06487	1.2
86.09708	4.7
91.03950	4.0
91.05493	8.7
92.05806	1.3
93.07027	6.4
95.04972	3.9
95.08620	2.9
97.02885	5.1
97.06550	2.9
97.10146	1.0
97.17331	0.9
99.04450	1.4
101.02365	1.5
105.07021	4.4
107.04984	1.6
107.08595	3.8
109.02820	1.0
109.06482	2.1
109.10171	5.6
110.10460	1.4
111.08074	1.8
117.07014	1.3
119.08585	4.5
121.10135	3.7
125.00019	3.5
125.09666	0.9
127.03919	2.2
129.07007	2.7
131.08586	1.8
132.08913	1.2
133.06595	1.0
133.10106	1.9
135.08064	1.1
135.11653	2.0
136.11966	1.2
137.09608	1.9
145.10123	1.8
147.11620	1.5
149.09615	1.0
149.13297	1.4
157.10175	1.8
163.11218	1.5
175.11186	1.2
181.12157	1.1
184.07332	12.3
185.07640	2.1
193.12248	4.2
211.13318	4.1
212.13655	1.7
243.08490	1.6
267.15906	4.8
268.16293	3.7
269.17603	3.5
270.17749	2.2
285.16837	1.4
287.18350	1.6
288.18958	1.3
297.90604	1.1
348.05322	1.0
405.07166	1.0
421.25827	2.1
422.26111	2.7
439.26852	2.8
440.27081	5.3
448.27893	2.6
461.29199	2.1
462.29291	9.5
465.28217	1.2
466.28851	3.9
467.18924	4.6
469.20401	8.8
480.30832	1.2
495.62949	1.0
497.31085	1.7
498.31427	2.8
695.32202	100.0
696.32782	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	694.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	14.1
56.53802	3.5
57.03440	7.0
61.02921	32.6
61.47361	3.2
62.30882	3.0
65.03930	3.3
67.05502	68.3
69.03402	5.4
69.07074	16.6
69.83669	7.1
69.84081	15.6
71.04987	3.2
73.02903	13.5
79.05489	46.5
81.03426	4.8
81.07053	71.0
83.08608	9.2
85.02910	34.3
91.03951	26.3
91.04980	3.2
91.05473	23.5
93.07041	53.7
95.04962	5.3
95.08605	55.2
97.02891	17.6
97.06524	4.1
97.10166	8.2
105.07024	20.2
107.08582	33.8
109.10156	35.5
117.07026	8.5
119.08578	18.9
121.10130	40.3
123.11707	20.2
127.03928	12.6
131.08559	19.5
133.10120	19.9
135.11694	31.3
145.04942	15.4
145.10118	14.9
147.11688	9.2
149.13228	29.0
159.11699	14.0
161.13269	13.8
163.06012	15.8
163.14830	17.4
165.36694	3.7
173.13200	17.8
175.14725	4.5
177.16364	9.5
179.14217	4.0
187.14772	13.3
207.02754	3.4
235.06166	3.7
243.21069	37.5
261.22122	100.0
261.62372	3.7
279.23154	6.9
335.25748	14.6
353.26843	42.6
395.86835	3.5
406.17096	3.3
593.34595	4.1
694.35126	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	694.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01860	3.3
55.05512	12.8
57.03435	10.6
59.04995	4.1
60.08151	5.1
60.95009	1.5
61.02917	2.7
61.59834	1.6
65.03935	2.3
67.05502	78.1
69.03409	4.8
69.07077	9.7
70.83853	4.1
70.84206	1.5
71.04993	19.8
71.07372	3.4
79.05059	2.9
79.05484	30.3
81.03416	39.9
81.07051	42.8
82.03708	2.5
83.04974	15.9
83.08619	20.0
85.02907	20.4
85.06533	5.0
86.09701	27.1
91.03944	2.2
91.05475	34.3
93.07045	28.2
95.04957	21.5
95.08594	18.4
97.02885	4.4
97.06517	5.7
97.10145	3.0
98.98425	2.4
99.08117	2.2
104.10751	2.1
105.06365	2.6
105.07024	21.6
107.04960	8.8
107.08577	13.3
109.06532	3.0
109.10152	52.1
111.04454	2.5
111.08075	7.6
113.05966	2.0
117.07004	4.0
119.08578	22.3
120.08910	2.2
121.10132	11.3
123.08055	2.1
123.11681	4.8
124.99992	19.1
129.06964	8.6
131.08545	9.0
133.06470	2.3
133.10136	10.5
135.08098	1.9
135.11731	8.4
137.09581	10.1
145.10123	4.4
147.08037	2.6
147.10620	1.5
147.11707	12.3
149.09615	4.5
153.12709	1.7
155.10663	2.7
157.10117	12.7
163.11195	4.7
169.12204	1.6
171.23357	1.7
173.11734	6.5
173.92972	1.6
175.11200	12.2
181.12154	2.1
184.07329	100.0
193.12257	23.1
211.13271	31.1
229.14380	3.1
243.15820	1.7
255.15770	5.9
267.15866	23.5
268.16153	2.0
269.17404	7.6
285.16946	19.1
286.17261	2.8
287.18570	13.1
332.23270	1.9
403.24930	2.7
421.25842	22.6
439.26907	61.3
440.27124	3.3
447.27518	24.1
453.28189	9.2
461.28888	9.4
465.28442	31.0
479.29980	9.7
496.29550	3.4
497.30997	40.4
644.35126	7.3
694.39844	3.4
695.31464	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	694.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
70.62848	22.8
108.14640	7.0
138.65063	6.4
223.12325	7.3
235.08867	7.9
292.11877	7.8
417.17102	9.9
461.20013	9.1
475.21265	16.0
491.20514	11.2
579.25793	24.5
595.25696	13.9
605.24084	10.4
606.26599	13.1
608.29352	9.1
609.26642	12.7
610.27460	9.0
622.27924	100.0
623.26660	8.6
637.26385	23.0
638.27161	21.8
654.26709	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	694.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.6
56.05036	0.7
57.03431	0.5
58.06579	1.5
59.07382	0.7
60.08160	5.4
61.17257	0.2
67.05510	1.8
69.03410	0.4
69.07069	0.8
70.06593	0.2
71.04999	0.4
71.07372	3.0
71.58008	0.3
79.05488	1.8
81.03412	2.1
81.03853	0.2
81.07057	2.1
83.04980	0.7
83.08616	0.7
85.02901	1.1
85.11228	0.2
86.09705	27.6
90.06253	0.2
91.05473	1.9
92.05796	0.2
93.07046	2.2
95.04941	1.2
95.08598	0.6
96.72331	0.2
97.02875	0.3
97.06569	0.3
97.10203	0.2
98.98462	2.8
104.10752	2.1
105.07034	1.4
107.04941	0.4
107.08576	1.1
109.06508	0.5
109.10136	0.7
111.04432	0.2
111.08108	0.6
113.06026	0.2
116.83064	0.2
117.07025	0.3
119.08575	1.0
121.06535	0.2
121.10133	1.2
123.08052	0.4
123.11699	0.2
125.00001	17.7
126.46942	0.2
127.97279	0.2
129.07021	0.5
131.04906	0.3
131.08594	0.9
132.53630	0.2
133.10118	0.6
135.08093	0.2
135.11729	0.2
137.05969	0.8
142.65878	0.2
143.01051	0.2
147.08136	0.2
147.11700	0.8
149.09631	0.7
149.13223	0.2
151.11261	0.3
153.01862	0.4
155.10664	0.2
157.10138	0.6
163.01495	0.2
167.07060	0.2
167.10707	0.3
175.11188	0.5
175.31334	0.2
177.09099	0.2
184.07335	100.0
185.07686	0.5
187.11380	0.2
193.12207	1.5
211.13335	2.3
212.13492	0.2
214.18031	0.2
222.08908	0.7
224.10542	0.3
243.15843	0.3
249.77753	0.2
267.15775	0.9
268.16431	0.2
278.88345	0.2
285.16919	2.1
287.05527	0.3
287.14911	1.3
375.87195	0.2
435.27176	0.3
453.28455	0.6
461.28796	0.3
479.30304	0.2
487.67062	0.2
491.22513	0.3
497.27020	1.6
592.32410	0.2
694.23645	0.3
694.35413	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	693.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14773	3.5
51.49470	2.9
53.03934	11.3
55.01863	6.9
55.05507	51.9
57.03425	13.1
57.07067	14.3
64.27921	2.9
65.03953	4.5
65.96942	3.3
67.05501	68.8
69.03428	24.5
69.07063	55.3
71.04974	10.2
71.08635	5.5
71.58144	4.2
71.58517	4.6
79.05489	46.6
81.03416	100.0
81.07051	70.9
83.04966	18.5
83.08615	44.1
85.02887	17.1
85.06554	3.5
88.67720	3.1
91.05478	46.8
93.07048	37.4
95.04964	24.6
95.08598	42.5
97.02894	14.4
97.06522	6.4
97.10166	21.5
99.04459	3.6
100.73833	3.1
105.07027	26.8
107.04952	8.5
107.08578	22.7
109.02885	17.9
109.06553	8.8
109.10152	20.9
111.04427	10.8
111.08067	10.1
111.11736	5.3
117.07005	6.9
119.08591	22.2
121.06489	6.8
121.10121	26.1
123.08032	6.9
123.11688	8.2
127.03880	16.0
129.07011	9.0
131.08566	13.8
133.10155	16.4
135.11717	10.5
137.13206	3.2
145.10120	9.0
147.07983	4.3
147.11652	17.2
149.09608	6.6
157.10147	14.7
159.11639	5.2
163.11163	4.2
165.12775	7.3
175.11197	12.9
181.12256	4.8
184.07333	4.6
191.10693	4.6
193.12224	29.1
211.13298	61.1
237.21956	3.6
265.25204	6.8
267.15918	14.9
280.93652	3.3
285.16940	4.9
337.16324	6.6
339.28958	22.8
355.17462	8.9
373.27405	5.7
411.20126	6.8
503.37357	6.4
521.38208	32.7
531.40399	5.0
549.41400	7.1
675.43256	4.4
693.45898	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.3
55.01866	3.2
55.05510	26.0
57.03422	5.0
57.07072	8.8
60.08154	7.4
67.05501	26.2
69.03419	5.1
69.07068	28.9
71.04972	3.0
71.08626	4.3
71.58720	3.7
74.98616	2.6
79.05482	15.3
81.03414	23.0
81.07050	22.9
83.04970	7.5
83.08616	26.0
85.02897	7.4
86.09713	30.1
87.10062	2.4
91.05486	19.7
93.07042	13.3
95.04953	8.8
95.08627	13.6
97.06531	3.1
97.10157	16.7
98.98476	10.0
105.07021	9.1
107.04952	4.2
107.08597	5.0
109.06525	3.6
109.10192	3.2
111.08053	4.3
111.11718	3.3
119.08574	11.6
121.10161	4.2
123.11736	3.3
124.12096	2.8
125.00000	26.0
129.07011	7.7
131.08583	5.1
133.10147	7.4
135.08118	2.6
135.11719	3.9
147.11708	9.5
149.09647	3.9
154.33850	2.6
157.10086	6.4
163.33092	2.9
175.11259	5.1
184.07344	100.0
185.07715	14.3
193.12277	7.4
211.13313	12.7
231.33548	2.7
231.56342	2.5
237.22217	4.6
267.15668	4.5
280.17505	2.7
282.18536	2.7
311.25888	5.3
503.37305	9.0
521.38379	92.8
675.42609	3.0
693.44415	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	692.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.2
54.42274	0.9
55.01859	3.7
55.05511	25.4
57.03437	14.0
57.07069	3.0
59.04996	2.8
61.02920	5.8
65.03942	2.1
67.05504	87.8
68.05826	2.1
69.03432	3.8
69.07072	17.6
71.01384	1.2
71.04991	16.9
73.02926	3.0
79.05494	37.9
81.03410	8.5
81.07056	100.0
82.07399	1.7
83.04982	8.8
83.08617	18.6
85.02899	9.9
85.06529	9.0
87.04463	2.8
91.03940	2.7
91.05482	29.0
93.07040	43.5
95.04961	8.2
95.08607	20.3
96.04512	0.8
97.02887	4.2
97.06528	10.0
97.10188	7.3
98.20717	1.9
99.04449	1.1
99.08092	1.8
105.07034	11.0
107.04952	2.5
107.08596	27.0
109.06531	2.5
109.10155	31.8
111.08085	6.3
117.07018	8.1
119.08598	4.1
121.06496	2.0
121.10130	10.8
123.08060	1.4
123.11707	10.0
125.09602	8.5
129.05472	2.0
131.08566	7.3
133.06480	0.9
133.10120	20.5
135.11716	8.8
137.09595	1.2
139.74368	0.9
143.10741	1.6
145.10109	1.5
147.11671	1.9
149.09631	2.1
149.13255	15.8
151.11188	6.9
153.12704	1.2
155.10725	1.6
157.10135	1.2
159.11693	9.1
163.11115	4.6
165.12758	1.9
169.34424	0.9
173.09583	1.2
173.11728	10.4
177.12750	4.6
183.13786	2.8
187.13307	2.0
193.12260	1.7
195.13789	15.0
199.13335	4.0
209.11685	2.6
213.14868	3.1
227.12785	2.8
229.14354	27.4
251.16307	1.6
257.17590	1.1
265.51953	1.1
267.15955	2.0
269.17465	46.6
270.17834	1.5
283.15445	1.8
301.16458	7.5
301.20105	11.6
339.23160	1.3
352.93942	1.0
393.26175	1.2
411.27545	2.4
423.27466	18.4
424.27756	1.3
437.22900	1.4
437.28976	41.2
438.29077	2.5
451.30234	5.3
463.30484	17.3
495.33746	48.9
513.30347	4.4
597.68842	1.0
705.09442	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
55.01855	6.4
55.05509	32.2
57.03427	16.5
57.07066	2.8
59.04984	2.8
61.02909	8.4
65.03929	3.3
66.92284	2.2
67.05503	100.0
69.03410	6.5
69.07063	15.1
70.91210	1.8
71.04980	3.9
73.02923	3.7
79.05489	41.1
81.03429	14.6
81.07056	70.7
83.04974	13.0
83.05402	1.8
83.08607	22.4
85.02902	16.7
85.06532	5.6
87.04472	3.8
87.07515	1.9
91.03939	3.1
91.05475	26.2
93.07035	39.2
95.04946	7.6
95.08605	22.6
97.02860	6.8
97.06522	8.8
97.10169	14.3
105.07030	11.2
107.04913	2.9
107.08585	31.1
109.06521	3.7
109.10149	43.1
111.08057	6.9
115.57371	1.9
117.07005	8.5
119.08566	9.3
121.06493	4.3
121.10166	10.3
123.08090	3.4
123.11699	4.5
125.09648	15.8
129.05522	5.5
131.08556	9.2
132.17439	2.1
133.10129	12.9
135.11702	10.3
143.10669	3.1
145.10100	3.8
147.11668	2.7
149.13269	15.0
155.10632	4.1
159.11694	8.1
163.11182	6.7
173.09592	2.2
173.10323	2.6
173.11635	16.1
177.12756	5.5
193.12112	2.2
195.13794	19.6
199.13239	7.8
209.11723	7.3
227.12776	6.4
229.14346	50.9
239.16479	2.3
257.13840	4.5
267.15915	9.5
269.17468	63.1
280.35233	1.8
283.15472	2.8
301.16434	15.8
411.27216	6.8
423.27420	35.8
463.85178	2.5
477.27509	2.5
495.29523	54.4
513.30566	18.8
655.31848	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.01872	4.3
55.05511	20.8
57.03432	11.7
57.07068	2.9
59.05000	1.2
61.02919	4.0
65.03936	2.7
65.31741	0.7
65.54726	0.7
67.05503	82.0
68.05788	0.8
69.03433	2.8
69.07065	17.9
70.20877	3.8
71.01354	0.9
71.04988	18.2
73.02916	2.9
77.46024	0.8
79.05490	34.8
81.03409	7.0
81.07054	100.0
82.07372	1.3
83.04983	7.0
83.08620	18.4
85.02905	9.2
85.06543	8.0
87.04457	1.8
88.69022	0.8
91.03952	1.8
91.05476	28.1
93.07039	46.8
95.04980	7.6
95.08604	20.8
95.46586	0.8
97.02897	3.5
97.06536	11.2
97.10155	6.2
99.04478	0.9
99.08099	3.0
105.07027	11.3
107.04951	2.0
107.08589	28.9
108.08972	0.8
109.06493	4.1
109.10156	22.1
111.04478	0.7
111.08072	7.1
113.74461	0.9
117.07027	7.5
119.08553	5.1
121.06532	1.4
121.10128	15.3
123.08060	1.7
123.11700	10.0
125.09627	5.1
126.03347	0.8
129.05461	1.7
131.08562	8.4
131.09435	1.3
133.10132	16.6
135.08035	1.0
135.11708	8.0
139.11186	1.8
145.10181	1.5
147.11688	2.6
149.09641	1.6
149.13255	19.1
151.11188	4.7
155.10643	1.2
159.11687	10.4
163.11214	3.1
165.12778	1.4
173.11703	7.0
175.11221	0.8
177.12799	5.7
183.13712	1.9
187.13272	1.3
191.10617	0.8
193.12227	1.4
195.13788	12.1
199.13310	2.6
209.11754	2.9
213.14917	2.8
213.43822	0.7
225.14825	1.2
227.12741	1.9
229.14355	19.6
239.16740	0.9
251.16354	1.0
260.34671	0.8
267.15918	2.4
269.17471	36.5
283.15445	1.1
285.16464	1.3
290.26154	0.8
301.16513	4.5
301.20135	8.8
356.16794	0.8
357.52408	0.9
393.26532	1.2
411.27469	2.3
423.27414	13.7
431.28778	0.9
437.28973	43.9
438.29575	1.1
451.30463	9.2
463.30542	85.3
464.30814	2.6
495.33914	27.3
513.30585	4.3
568.39606	1.0
672.17029	0.8
673.36230	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.8
55.05506	19.9
57.03437	16.9
58.31855	2.0
59.75100	1.8
60.82043	1.9
61.02908	6.2
65.03939	2.0
67.05502	43.2
69.03412	9.0
69.07047	11.4
71.04980	5.7
79.05486	43.4
81.03416	76.0
81.06586	3.3
81.07053	54.9
81.07523	4.1
83.04984	20.0
83.08154	2.3
83.08614	33.9
85.02899	34.5
85.06516	3.9
91.05473	47.8
93.07034	41.1
95.04967	43.4
95.08605	24.7
97.02878	7.9
97.06518	6.6
97.10137	7.7
98.21562	3.4
99.08076	4.3
105.07021	32.4
107.04953	11.9
107.08583	18.4
109.06516	8.2
109.10128	8.0
111.04412	4.5
111.08083	14.0
113.06001	3.8
115.05470	3.1
117.07005	5.8
119.08576	26.8
121.06546	3.3
121.10150	16.5
123.08072	5.0
123.11645	2.7
124.99953	2.3
125.09638	4.4
129.06985	16.5
131.08568	20.3
133.06509	2.4
133.10112	17.8
135.08023	4.7
135.11676	9.2
137.09583	4.6
145.10088	8.5
147.08087	4.8
147.11687	21.6
149.09628	11.1
149.13235	2.9
151.11169	5.7
157.10121	19.8
163.11162	13.0
164.11464	3.2
165.12738	7.6
168.66046	2.0
175.11185	22.9
180.59390	2.3
184.07321	11.1
193.12224	54.7
209.11739	3.7
211.13290	81.6
212.13609	4.3
227.12790	7.0
228.13052	5.8
229.23595	2.3
267.15909	49.5
268.16107	2.6
269.17398	7.4
283.15350	9.3
284.15747	4.7
285.16968	88.0
286.17236	6.1
301.16495	3.4
385.23669	5.3
403.24426	2.0
451.26340	3.0
459.27432	22.9
461.28897	2.8
477.28406	52.6
493.28214	2.2
494.28226	4.5
495.29471	100.0
549.25934	2.1
599.68750	2.2
654.54419	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.8
55.01868	4.5
55.05509	24.1
57.03437	17.6
61.02915	3.6
67.05505	30.6
69.03419	6.8
69.07055	8.7
69.51125	3.6
69.51533	12.6
71.04983	6.0
73.02911	2.1
79.05495	33.3
81.03414	81.9
81.07053	36.0
83.04978	20.2
83.08620	23.9
85.02908	33.7
91.03954	2.0
91.05476	41.1
93.07044	18.1
95.04961	33.1
95.08594	15.1
97.02894	5.9
97.06514	6.0
97.10181	3.7
105.07032	26.3
107.04929	10.0
107.08566	5.8
109.06510	4.7
109.10172	3.6
111.04431	5.0
111.08096	11.7
113.06030	2.3
115.05412	2.1
117.06985	3.3
119.08578	24.2
121.10136	8.5
123.08039	2.8
124.18357	1.7
125.09605	2.7
129.07025	16.8
131.08559	12.4
133.06512	4.1
133.10136	14.1
142.07751	3.6
145.10094	2.3
147.08080	2.7
147.11691	16.9
149.09625	6.5
157.10133	15.7
165.12807	4.0
175.11197	22.5
193.12241	56.1
211.13284	100.0
213.03078	1.8
267.15924	29.6
285.16956	72.4
321.67120	2.0
367.22406	2.7
385.23706	5.3
459.27457	18.5
477.28589	16.5
495.29523	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.9
55.05512	35.7
57.03434	21.3
59.05008	2.5
61.02911	10.7
67.05505	100.0
69.03405	6.7
69.07066	18.3
69.85850	7.4
69.86258	7.5
71.04961	4.3
73.02911	5.3
78.92796	2.2
79.05489	45.7
81.03419	15.1
81.06586	5.2
81.07054	80.8
83.04974	8.7
83.08623	24.7
85.02908	17.7
85.06542	7.0
87.04453	3.5
87.71458	2.5
91.03957	2.4
91.05482	33.9
93.07039	42.5
95.04961	8.6
95.08607	22.7
97.02887	9.0
97.06528	11.7
97.10154	11.2
105.06986	11.8
107.04965	5.8
107.08589	25.6
109.10156	54.3
111.04388	2.9
111.08070	6.7
117.07000	10.2
119.08592	13.6
121.06533	3.7
121.10141	10.8
123.08086	2.9
123.11721	4.7
123.94901	2.0
125.09628	18.5
129.05466	5.9
131.08530	10.3
133.10109	11.0
135.11664	12.4
137.09644	3.6
143.10645	2.5
145.10161	5.4
146.80238	2.2
147.11630	3.3
149.09610	2.5
149.13258	14.8
151.11115	3.2
153.12672	3.2
155.10663	3.4
159.11682	7.3
163.11186	12.1
165.12735	3.0
173.11722	22.4
177.12733	8.2
181.12257	3.5
191.10664	2.5
193.12213	8.1
195.13802	13.4
199.13295	8.4
209.11729	6.5
227.12782	5.5
229.14330	49.0
239.16322	4.2
250.18625	2.7
267.15918	8.7
269.17471	59.4
283.15298	5.5
300.26703	2.4
301.16531	16.1
363.51132	3.4
411.27222	3.8
423.27374	35.3
449.28763	2.8
495.29523	52.9
513.30640	24.2
652.83252	2.8
724.40448	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.7
54.58341	1.6
55.01871	15.3
55.05512	33.3
56.40656	1.9
57.03434	21.2
57.07071	4.3
61.02926	8.0
65.03927	3.7
67.05503	81.4
69.03423	7.4
69.07066	22.3
70.71026	4.6
71.01357	1.9
71.04990	8.2
73.02914	5.0
79.05491	53.5
81.03419	24.2
81.07056	90.7
82.04210	3.2
83.04977	20.2
83.08618	25.5
85.02915	8.1
85.06543	4.7
91.03946	5.2
91.05486	34.1
93.07043	68.7
95.04971	17.7
95.08611	23.6
97.02882	9.3
97.06536	15.9
97.10178	15.3
98.07316	6.4
99.08109	2.2
105.07030	17.3
107.04967	12.7
107.08599	39.4
109.06511	4.5
109.10154	15.4
111.04462	4.1
111.08073	10.6
111.11745	2.3
116.04721	11.7
117.07037	13.0
119.08582	11.3
121.06493	4.7
121.10134	19.8
123.08076	7.9
123.11696	4.8
125.09647	16.1
127.03917	3.2
129.05478	28.9
129.06998	4.6
131.08568	15.0
133.10135	17.8
135.08081	5.9
135.11697	15.3
137.09604	3.5
142.50679	2.2
143.07045	4.6
145.10100	5.9
147.08192	2.6
147.11703	6.3
149.09602	3.2
149.13251	33.5
153.12762	4.4
157.08606	9.9
157.10062	4.2
158.05751	3.1
159.11678	13.7
163.11211	10.1
163.24649	1.9
171.06546	4.1
171.10255	3.8
172.44312	1.8
173.09692	2.2
173.11769	2.6
175.11319	2.4
177.12766	6.0
189.11261	6.1
191.09132	2.2
191.10652	4.4
193.12230	7.6
195.13818	15.7
199.13281	14.5
209.11740	6.3
211.13330	4.2
213.14882	3.8
227.12825	9.4
229.14471	3.7
265.14334	3.2
267.15930	7.9
269.17471	78.3
273.55682	2.2
283.15381	11.2
285.17084	2.3
295.08459	2.1
301.12982	2.8
301.16464	57.2
323.18527	3.0
393.26291	6.3
411.27441	6.3
423.27298	18.7
459.27539	5.2
461.28897	7.3
477.28583	19.3
478.29208	10.9
495.29550	100.0
496.29730	3.7
603.31958	2.5
621.32416	3.3
639.33801	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	692.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.9
55.01875	17.7
55.05509	37.6
56.20886	1.8
57.03435	23.0
57.07061	5.7
60.19798	1.8
61.02931	9.6
65.03947	2.4
67.05504	81.5
69.03423	8.3
69.07070	20.0
70.12643	9.4
70.38771	1.9
71.04990	7.2
73.02915	9.0
79.05491	55.0
81.03418	19.7
81.07055	92.2
82.04195	5.5
83.04984	15.5
83.08626	26.0
85.02896	11.7
85.06535	6.3
86.44730	1.9
87.04469	2.9
91.05475	38.1
93.07040	61.0
95.04974	23.3
95.08598	22.5
97.02885	10.2
97.06543	14.8
97.10149	19.1
98.07302	6.6
99.04435	2.7
99.08067	3.5
105.07027	18.6
106.65328	1.7
107.04950	8.7
107.08591	39.0
109.06517	6.4
109.10162	12.5
111.04430	4.0
111.08070	9.4
116.04708	17.1
117.06996	12.3
119.08575	9.3
121.06495	3.9
121.10141	14.3
123.08060	5.5
123.11679	6.7
125.09645	18.0
129.05484	39.4
129.07001	2.9
130.18224	1.7
131.08551	14.2
133.10114	21.3
135.07996	4.5
135.11720	12.4
143.07008	12.2
145.10123	4.4
147.08125	2.1
147.11681	5.3
149.09656	4.3
149.13240	25.0
151.11169	2.5
153.09117	3.2
153.12721	3.6
157.08600	18.8
157.10020	4.9
159.11690	12.8
163.11203	7.4
165.12793	2.3
171.10124	4.1
171.13872	2.9
173.11758	6.4
175.11209	4.6
177.12733	6.6
181.12103	2.3
185.11755	1.9
189.11211	7.6
191.10609	3.2
193.12263	5.2
195.13826	23.2
199.13246	14.0
200.14032	1.9
209.11731	7.6
211.13232	6.9
213.14839	3.7
227.12776	15.0
229.14497	2.5
267.15887	8.7
269.17477	81.7
283.15344	10.9
301.16467	96.1
323.18390	3.4
351.22250	2.3
373.05634	2.0
393.26410	4.2
411.27484	9.3
423.27527	25.2
461.28659	3.5
477.28592	13.1
478.29218	6.1
495.29492	100.0
496.29779	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92985	4.8
53.03947	11.2
55.01874	6.4
55.05519	41.7
57.03420	15.9
57.07075	5.6
65.03931	6.5
67.05501	79.7
67.20344	4.8
69.03432	17.4
69.07080	29.0
69.24536	4.9
69.41357	10.7
69.41756	46.9
71.05001	8.7
71.08662	5.0
79.05486	54.2
81.03412	34.4
81.07053	100.0
83.04980	25.7
83.08610	14.9
83.31367	4.8
85.02923	5.3
85.06528	5.9
91.05473	43.6
93.07036	58.3
95.04977	19.2
95.08606	46.2
97.02900	12.6
97.06510	12.1
97.10172	8.7
105.07020	28.8
107.04975	6.5
107.08572	48.1
109.02895	9.6
109.10164	23.3
111.08099	5.5
117.07007	17.5
119.08598	18.2
119.49433	5.6
121.06517	5.7
121.10149	21.6
123.11711	10.9
125.06227	5.2
129.05449	10.1
129.07011	6.4
131.08571	16.0
133.10110	13.4
135.11678	29.2
143.08562	6.1
145.10123	14.2
147.11685	18.2
149.13255	23.2
157.10109	6.6
159.11725	13.0
163.11154	9.2
165.12698	7.5
173.13162	5.2
178.54442	5.0
195.13783	11.7
223.33948	5.5
269.17477	17.5
335.25952	24.2
341.41431	5.1
354.96173	5.9
426.22083	5.6
519.36774	27.5
529.38733	49.0
638.58685	5.7
673.43250	7.4
691.43347	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83793	5.7
53.03943	15.9
54.71594	5.2
55.01850	12.7
55.05510	53.6
57.03435	11.1
57.07056	10.7
65.03942	5.3
67.05505	91.2
67.91736	5.2
68.50497	5.3
69.03434	34.9
69.07070	38.1
70.14742	26.9
70.85373	5.2
71.04993	17.2
71.08651	5.8
75.43093	7.1
75.73201	5.2
79.05505	54.6
81.03420	80.3
81.07056	100.0
83.04982	23.2
83.08629	27.5
85.02894	10.5
91.05474	54.6
93.07040	56.9
95.04971	31.5
95.08607	58.9
97.02885	22.2
97.06528	10.8
97.10185	13.3
98.21571	6.0
99.04448	7.3
105.07019	46.0
107.04942	10.3
107.08600	32.2
109.02879	10.3
109.06525	6.7
109.10156	27.8
111.04450	21.3
111.08090	13.1
113.88667	5.1
115.05447	6.8
117.07022	14.9
119.08585	30.0
121.06555	6.6
121.10124	32.6
123.11691	7.8
125.09648	5.9
127.03917	13.8
129.07008	12.3
131.08569	23.1
133.10129	25.6
135.11678	15.2
143.08553	11.2
145.06459	7.5
145.10130	18.1
147.11653	23.3
149.09555	9.6
149.13263	7.3
157.10123	17.6
161.13219	8.8
165.12727	7.1
173.13182	8.6
175.11130	8.1
193.12202	31.3
209.11717	17.9
211.13229	44.8
227.12694	8.8
229.14424	9.0
237.22279	8.1
267.16037	9.8
337.27280	14.0
355.17737	7.3
389.26624	6.9
411.20331	6.4
503.37531	8.3
519.36761	15.6
529.39093	27.9
547.39417	13.4
673.42725	8.6
680.95233	7.5
691.44373	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	691.441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	10.0
55.01869	12.9
55.05506	36.6
57.03424	11.1
57.07064	11.9
63.71074	7.9
67.05503	69.2
69.03434	15.9
69.07049	31.4
71.04987	8.9
79.05490	55.1
81.03420	38.7
81.07063	84.1
83.04980	20.7
83.08610	34.0
85.02916	8.7
91.05463	33.3
93.07037	64.0
95.04977	22.9
95.08617	53.9
97.02870	8.9
97.10167	12.9
98.21542	12.4
99.04457	9.4
105.07016	32.6
107.08589	36.4
109.10135	15.5
117.07018	25.0
117.24977	7.1
119.08579	23.5
121.10151	19.9
122.79381	6.6
122.98515	7.5
123.11690	11.9
124.99918	8.2
127.03881	6.7
129.06998	13.5
131.08585	27.9
133.10130	14.9
135.11679	30.5
143.08580	7.8
145.10106	32.9
147.11629	15.6
155.08588	9.2
159.11566	13.5
163.11142	20.8
173.13179	10.7
184.07353	22.7
185.13216	9.0
186.63425	6.5
195.13722	8.3
227.12715	37.7
267.15695	8.7
269.17468	18.9
301.21555	9.0
327.23260	8.6
329.31046	7.0
343.22934	7.1
416.47763	7.5
519.36725	100.0
520.36346	9.3
529.38800	11.0
602.89221	7.9
649.45837	10.4
655.42389	9.7
673.43390	10.6
691.42706	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	691.441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.2
54.48275	3.0
55.01862	8.6
55.05510	39.7
57.03439	15.3
57.07077	4.6
65.03944	4.7
66.18497	3.2
67.05504	100.0
69.03423	32.6
69.07069	35.1
71.01319	4.0
71.04990	14.7
71.31096	5.0
71.31443	4.0
79.05492	70.0
80.05820	5.0
81.03418	94.3
81.07058	98.0
83.04980	20.6
83.08621	30.1
85.02898	20.2
85.06537	6.1
91.05476	62.3
93.07044	55.3
95.04975	28.5
95.08604	62.6
97.02880	28.8
97.06551	9.5
97.10181	9.1
98.98512	4.7
99.04430	5.8
99.08123	4.2
105.07023	45.9
107.04955	11.8
107.08600	33.0
109.02875	14.7
109.06535	12.8
109.10151	31.0
111.04428	17.9
111.08101	8.3
111.11681	3.1
115.05495	4.0
117.07027	14.6
119.08582	38.8
121.06559	3.6
121.10148	27.7
123.08131	5.4
123.11720	14.6
125.09650	3.5
127.03889	16.3
129.07022	13.3
131.08569	25.8
133.06488	5.1
133.10147	20.8
135.08057	3.6
135.11703	15.1
137.13219	4.5
142.07796	4.0
143.08557	4.9
145.06442	3.5
145.10133	11.2
147.08098	5.4
147.11708	23.5
149.09590	4.3
149.13275	8.8
151.11180	3.1
155.08514	4.1
157.10124	13.6
159.11703	8.1
161.13251	7.8
163.11220	6.1
165.12759	5.9
169.10210	4.0
171.08119	3.1
171.11734	6.1
173.04488	7.7
173.13341	5.9
175.11171	8.4
177.12804	4.7
181.10167	3.0
181.12230	5.3
187.14828	3.7
189.16402	3.4
193.12219	33.4
199.14703	3.4
209.11713	15.7
209.99124	3.0
211.13269	54.7
211.15260	4.6
217.16222	3.9
220.80379	3.0
227.12802	10.8
267.15918	6.2
269.17365	4.0
273.22003	3.7
275.20172	3.9
285.16983	10.7
303.22821	3.3
337.27386	15.3
350.64114	3.5
355.17590	7.6
371.25879	7.8
377.53644	3.4
389.26706	5.6
411.19904	6.3
445.29431	4.6
463.30386	3.6
519.36517	15.5
529.39111	16.1
547.39783	13.2
637.40729	4.2
673.42499	7.8
691.44116	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41184	0.4
50.52193	0.5
53.03941	1.6
53.07283	0.5
55.01854	1.0
55.05509	4.2
57.03437	2.9
57.07067	0.9
61.02922	5.5
65.03936	1.2
67.05505	15.3
69.03428	5.9
69.07066	3.6
71.04990	1.4
71.08605	0.6
71.44548	1.1
73.02918	4.0
75.04459	0.5
79.05491	7.7
81.02981	1.0
81.03417	10.3
81.07056	11.9
83.04988	1.6
83.08619	4.0
85.02893	7.4
85.06556	0.6
86.09714	0.6
87.04437	0.6
91.03951	4.7
91.05486	5.7
93.07047	8.3
95.04950	2.7
95.08606	9.3
97.02898	5.9
97.06532	1.2
97.10139	1.1
98.98486	0.9
99.04438	1.8
101.02365	2.3
105.07031	4.0
107.04932	0.8
107.08585	4.7
109.02878	2.3
109.10157	6.9
111.04434	1.7
111.08071	0.7
113.06024	0.5
117.06989	1.2
119.08562	3.8
121.10115	3.8
123.11723	1.3
127.03905	2.9
129.07014	1.2
131.08578	2.5
133.10132	2.1
135.11703	1.2
137.09615	0.9
145.10117	1.3
147.08047	0.9
147.11694	2.1
149.09624	0.7
149.13322	0.6
157.10112	1.1
159.11652	0.8
163.11203	1.5
168.33662	0.6
173.04510	0.6
173.11794	1.1
173.13258	0.7
175.11162	0.7
177.12852	0.7
183.11734	0.7
184.07408	2.6
185.07672	0.7
186.07826	0.9
191.10818	0.6
193.12270	3.3
195.09988	0.7
209.11632	0.6
211.13316	5.5
227.12766	1.3
229.14401	0.8
243.08435	1.5
258.63162	0.6
267.15759	0.7
335.25696	0.8
337.27341	1.7
371.26062	1.0
400.66400	0.6
413.17764	4.9
466.03864	0.6
519.29340	10.4
519.36865	1.2
529.38757	1.2
547.39874	0.7
691.40216	100.0
692.40717	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	691.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.0
55.01871	7.5
55.05516	27.0
57.03445	5.5
57.07083	4.1
65.03931	2.8
67.05505	100.0
69.03424	24.3
69.07073	17.6
71.04994	55.0
71.58202	4.0
79.05061	5.5
79.05492	66.2
80.27881	2.8
81.03415	57.3
81.07059	62.8
83.04993	16.8
83.08624	11.6
85.02893	10.0
85.06543	5.0
86.83816	3.1
91.05475	52.9
93.07050	76.2
95.04958	20.3
95.08608	42.9
96.08917	3.9
96.35135	2.8
97.02884	15.5
97.06541	9.7
97.10195	7.4
99.04459	7.2
105.07021	25.5
107.04960	4.9
107.08595	37.6
109.02882	7.8
109.06516	4.7
109.10152	41.2
111.04456	9.8
115.05395	3.1
117.07020	12.8
119.05011	3.4
119.08566	28.2
121.06554	4.3
121.10144	21.6
123.11691	6.2
127.03921	11.0
129.05493	3.9
129.07033	4.9
131.08559	13.9
133.10124	17.3
135.08080	5.6
135.11684	24.2
137.09644	12.6
143.08572	4.1
145.10133	17.8
147.07961	3.1
147.11693	7.5
149.13252	8.0
155.10657	3.7
157.10202	3.6
159.11690	7.7
161.13275	4.6
163.11203	8.3
169.12268	4.8
171.11728	4.7
173.04448	13.1
173.11784	11.0
173.13158	2.9
175.14778	4.1
177.12766	3.5
181.12251	7.2
183.58430	2.6
183.60417	2.7
187.11263	3.2
187.13243	5.7
188.79765	2.6
195.13971	2.6
208.27090	2.6
209.11700	16.3
211.13222	5.0
237.22069	4.4
243.15985	3.6
251.04358	2.8
255.15996	2.9
261.22144	3.3
266.16586	2.9
315.93253	3.1
325.16464	5.2
335.25772	4.0
349.27542	5.4
351.23254	3.2
461.29492	3.8
468.93912	3.0
503.37167	7.1
519.36743	14.0
529.37604	4.2
547.40002	3.2
659.41357	5.8
691.44073	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.47
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89457	0.3
56.05032	0.7
57.07051	0.4
58.06599	0.5
60.07875	0.4
60.08162	6.7
60.76946	0.3
62.31301	0.3
63.24852	0.3
67.05483	0.5
69.26805	0.3
71.07366	2.9
79.05465	0.4
81.07045	0.6
85.38355	0.3
86.09703	30.3
93.07028	0.4
98.20789	0.6
98.98463	2.7
104.10741	2.3
125.00001	20.7
143.01041	0.6
154.17149	0.3
184.07336	100.0
246.49062	0.3
432.71216	0.4
445.42780	0.3
481.41830	0.3
581.04425	0.4
690.47076	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	691.402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01869	1.2
55.05509	3.6
57.03438	2.9
57.07072	0.8
61.02929	5.4
65.03927	1.1
67.05503	16.8
69.03437	6.0
69.07059	3.9
71.01353	0.5
71.04984	1.9
73.02914	3.8
79.05490	6.7
81.02980	0.8
81.03416	10.4
81.06578	0.9
81.07053	12.4
83.04980	2.0
83.08617	3.7
85.02900	5.7
85.06524	0.9
86.09689	0.8
91.03943	2.7
91.05475	7.8
93.07038	7.3
95.04969	3.0
95.08599	8.7
97.02892	6.6
97.06541	1.4
97.10151	1.1
98.21512	1.4
98.98456	1.9
99.04461	1.6
99.08106	1.0
101.02367	2.0
105.07025	4.4
107.04946	1.4
107.08591	4.0
109.02885	2.4
109.06545	1.1
109.10146	8.1
111.04429	1.5
111.08060	1.2
117.07011	1.5
119.08579	4.3
121.06548	0.7
121.10146	3.9
123.11701	0.8
125.09616	1.0
127.03915	2.0
129.05490	0.5
129.06990	1.1
131.08592	2.5
133.10135	2.7
135.11690	2.1
137.09711	0.6
145.05002	0.6
145.10135	1.8
147.11697	3.2
149.09607	0.7
149.13277	0.8
153.12720	0.4
155.08569	0.7
157.10121	1.4
159.11742	0.8
161.13300	0.8
163.11183	1.0
165.12685	0.6
171.11647	0.8
172.23466	0.5
173.11748	2.1
173.13202	0.8
175.11186	0.6
175.14890	0.6
184.07330	2.4
185.04253	1.0
193.12224	3.6
209.11722	1.3
211.13312	5.4
227.12660	0.7
229.14410	0.9
237.22139	0.5
243.08438	1.6
251.12515	0.7
267.15994	1.1
311.25934	0.7
328.07870	0.7
336.14249	0.5
337.27179	0.5
343.26440	0.5
355.17505	0.7
371.25772	0.7
411.19931	0.7
413.17798	11.1
501.36102	0.8
519.29279	5.8
519.36816	2.5
529.39111	1.0
547.39941	1.4
691.40234	100.0
692.40326	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	690.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92624	1.3
53.03937	3.6
55.01869	5.8
55.05508	15.3
57.03438	11.8
59.04977	2.7
60.82127	1.5
61.02921	4.0
67.05508	16.9
67.69460	1.5
69.03416	4.3
69.07063	5.9
69.43328	3.5
69.43736	10.0
71.04983	5.8
73.02876	2.1
79.05496	23.8
81.03414	38.1
81.07055	19.2
83.01338	5.7
83.04981	16.0
83.08611	16.4
85.02902	15.9
91.03935	2.0
91.05465	23.7
93.07041	21.4
95.04964	17.5
95.08610	9.9
97.02897	3.5
97.06500	4.2
97.10181	3.9
98.21542	3.0
99.04453	2.0
105.07034	15.7
107.04961	8.5
107.08575	9.9
109.06518	5.8
111.04437	2.0
111.08080	7.2
117.06995	5.9
119.08571	15.2
121.06502	3.0
121.10126	7.6
123.08057	6.1
123.11752	1.9
129.06985	6.3
129.72005	1.6
131.08560	8.4
133.06499	1.8
133.10094	7.7
135.11687	4.5
142.07782	2.2
145.10117	8.9
147.08095	2.9
147.11674	9.3
149.09631	2.7
157.10155	8.2
163.11192	13.1
165.12788	2.6
175.11229	8.6
191.10704	1.7
193.12238	27.0
209.11717	4.2
211.13281	51.6
227.12906	3.1
251.97235	2.0
267.15894	10.5
278.35599	1.4
283.15393	54.5
285.16946	37.3
325.71329	1.5
339.35367	1.6
383.22125	2.8
430.81976	1.7
457.25485	4.8
475.27063	15.8
493.27939	100.0
494.28397	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	690.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.01871	3.0
55.05511	18.0
56.58109	1.2
57.03434	14.3
59.93484	1.3
61.02917	3.1
61.73216	1.2
65.03934	2.0
67.05502	24.1
69.03416	4.6
69.07051	8.9
71.04984	5.6
73.02925	1.6
75.91259	1.5
79.05489	33.3
81.03414	44.6
81.07056	31.6
83.04980	14.5
83.08616	22.7
85.02895	20.0
85.03366	1.7
85.06536	2.5
89.66419	1.3
91.05482	23.7
93.07043	39.4
95.04967	23.5
95.08606	33.1
95.09072	0.8
97.02888	6.1
97.06531	6.0
97.10170	2.9
99.04440	3.7
105.07030	20.1
107.04951	10.5
107.08601	25.5
109.02941	1.4
109.06528	4.8
109.10146	3.5
111.04430	2.7
111.08052	7.7
113.05994	1.5
117.06992	8.8
119.08581	19.6
121.06504	5.7
121.10133	16.1
123.08090	2.3
125.05968	2.8
129.07013	9.1
131.08583	7.8
133.06500	1.6
133.10144	8.0
135.08072	3.0
135.11682	38.9
137.09569	1.9
142.07776	3.2
145.10118	26.5
145.11276	1.6
147.08081	4.4
147.11703	9.5
149.09596	3.9
153.12787	1.9
157.10135	10.0
163.11174	53.7
165.12770	2.1
175.11148	11.6
181.12207	9.1
193.12254	32.2
209.11740	2.7
211.13286	39.7
227.12769	58.9
228.12985	1.5
267.15878	25.0
268.16165	1.6
283.15378	61.7
284.15652	1.8
284.47034	1.4
285.16940	56.0
475.26886	28.3
493.27957	100.0
494.28128	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	689.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.7
55.01871	11.4
55.05506	38.9
57.03428	14.0
58.17165	4.3
60.64091	4.4
63.94159	5.0
65.03940	8.0
67.05500	83.5
69.03421	35.5
69.07059	30.3
69.39632	50.2
71.04982	13.1
71.49786	4.9
79.05061	7.0
79.05491	77.6
81.03413	80.3
81.07052	100.0
83.04985	16.9
83.08604	19.2
85.02892	21.0
85.06565	5.4
86.09699	7.7
89.06009	8.3
91.05473	77.3
93.07044	68.7
95.04948	33.9
95.08612	46.8
97.02897	28.2
97.06516	10.6
97.10130	5.6
98.21524	9.4
99.04465	6.8
105.07027	59.6
107.04937	9.8
107.08591	42.3
109.02857	17.6
109.06561	6.3
109.10152	24.1
111.04438	11.7
111.08086	10.3
115.05484	4.9
117.07022	18.9
119.08555	32.7
121.06478	6.3
121.10142	25.4
123.08086	5.4
123.11644	7.9
127.03929	12.0
129.06998	15.0
131.08553	27.3
133.06458	7.6
133.10085	25.1
135.11662	13.7
137.09567	5.4
143.08546	16.3
145.10109	14.3
146.00407	5.6
147.11658	27.3
149.09650	9.2
151.11165	4.8
155.08525	8.1
157.10097	18.1
159.11649	12.7
161.13258	6.4
163.11195	8.3
163.14772	5.5
165.12733	8.7
167.08644	6.4
171.11600	7.9
173.13260	6.7
175.11171	17.1
175.66306	4.7
179.14217	8.0
183.11679	6.2
184.07315	13.5
193.12268	30.0
211.13300	38.8
212.91873	4.8
227.12645	5.2
261.22119	8.2
267.15878	11.4
300.64294	4.9
301.14432	5.6
327.23013	5.8
335.25861	14.5
337.16553	6.4
351.22507	6.6
387.25800	5.2
447.92105	5.4
458.91321	4.9
523.18860	5.2
527.36963	6.9
545.38287	9.9
653.40637	8.2
671.41333	8.0
689.42371	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60037	2.5
53.03949	12.8
53.04261	2.1
55.01862	7.2
55.05508	31.3
57.03425	11.5
65.03947	2.8
67.05502	70.9
68.93835	2.4
69.03426	38.4
69.07056	15.9
70.14248	13.3
71.04972	11.8
79.05489	70.6
81.03411	100.0
81.07055	66.3
83.04985	19.2
83.08614	18.5
85.02882	17.0
87.04469	2.9
91.05474	54.5
93.06485	3.4
93.07040	49.8
95.04960	38.2
95.08605	41.1
97.02881	18.6
97.06530	8.3
97.10144	4.0
98.20734	2.6
98.41483	2.7
99.04465	6.5
99.08059	3.1
103.05479	2.9
105.07024	49.9
107.04926	9.7
107.08590	31.6
109.02866	17.1
109.06496	8.2
109.10165	18.9
111.04451	14.2
111.08079	13.9
114.54995	2.5
115.05528	3.7
117.07025	16.9
119.08559	34.8
121.06455	7.1
121.10137	27.9
123.08035	7.3
123.11728	6.7
125.09602	4.3
127.03887	10.4
129.06993	16.4
131.08539	32.7
133.06454	4.5
133.10114	20.5
135.07933	3.2
135.11703	16.2
137.09592	5.0
140.36598	3.0
141.06964	5.7
142.07732	5.2
143.08525	7.3
145.06454	4.8
145.10089	17.7
147.08020	4.5
147.11658	27.3
149.09602	5.9
149.13257	6.3
155.08591	4.2
157.10078	17.9
159.08064	6.0
159.11650	11.2
161.09665	2.9
161.13240	5.9
163.11182	6.5
165.12753	6.0
169.10069	6.3
171.08017	4.3
171.11646	6.3
173.09621	4.6
173.13263	10.0
175.11168	13.5
183.11713	3.5
185.13185	4.2
191.10681	3.7
193.12233	48.1
211.13248	59.2
213.12785	3.4
215.14339	3.8
237.12265	3.2
259.20465	3.6
261.22083	6.7
267.15945	7.3
271.20407	2.8
272.91724	2.7
273.14975	3.9
285.16946	12.0
301.21609	5.6
315.23282	5.0
319.15323	4.5
329.63342	2.9
335.25818	14.7
337.16489	4.8
351.23233	5.4
355.17221	6.8
369.24103	10.5
387.25320	5.3
411.20029	5.9
443.28195	5.7
461.28845	5.0
493.97205	3.2
517.38220	3.4
527.37097	10.6
545.38287	7.6
653.40430	9.3
671.40887	9.4
689.42749	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	688.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.7
55.05510	17.5
57.03435	10.2
59.67667	3.1
60.99135	3.6
67.05503	32.1
68.96506	3.4
69.03438	3.9
69.07064	12.2
71.04986	4.1
79.05484	59.4
79.05910	5.2
81.03410	54.6
81.07057	35.0
83.04980	20.7
83.08599	18.5
85.02903	15.0
91.05473	49.8
93.07039	49.1
95.04967	31.4
95.08600	20.3
97.02869	4.1
97.06559	5.1
98.20650	6.1
102.88728	3.2
105.07018	39.4
107.04947	9.5
107.08604	14.9
109.06569	5.2
109.10176	5.6
111.08104	7.8
115.05472	3.3
115.66382	3.4
117.07010	9.7
119.08561	22.3
121.10157	10.6
123.08073	4.4
129.07013	15.1
131.08585	10.2
133.10133	14.0
143.08565	6.3
145.10176	7.3
147.11647	34.0
157.10146	7.7
161.13255	5.9
171.11649	19.5
175.11137	7.4
189.12794	9.5
190.57289	3.8
193.12227	34.0
194.54741	3.5
207.13708	21.0
211.13310	33.7
229.25055	3.8
267.15857	39.1
281.17487	46.6
284.28989	4.9
285.17035	40.1
329.04956	3.4
473.28940	100.0
491.30106	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.6
53.03944	12.4
55.01864	8.1
55.05508	30.2
57.03433	12.2
57.07051	2.2
65.03938	6.0
67.05503	68.0
69.03429	28.9
69.07065	21.4
69.36813	4.3
69.37208	20.9
71.01354	3.9
71.04980	6.9
73.02901	3.8
77.03960	3.0
79.05492	67.8
80.05822	2.4
81.03415	100.0
81.06580	4.7
81.07056	80.7
83.04971	19.3
83.08612	20.9
85.02898	17.3
85.06538	4.0
91.05476	64.6
91.06013	4.4
93.07040	62.5
95.01344	2.6
95.04963	43.2
95.08606	44.9
97.02901	22.5
97.06543	5.8
97.10190	6.1
98.20779	5.0
99.04457	6.7
99.08074	3.1
103.03857	2.8
103.05480	2.4
104.24446	1.9
105.04467	2.3
105.07026	44.3
105.75871	2.5
107.04942	9.3
107.08595	34.6
109.02869	18.5
109.06515	8.6
109.10151	18.3
111.04456	10.6
111.08070	9.2
113.09680	2.1
115.05445	4.8
117.07044	19.3
119.08577	35.3
121.06497	3.7
121.10133	19.5
122.10516	2.0
123.04433	7.2
123.08076	7.2
123.11723	7.1
125.06028	2.6
125.09619	4.5
127.03902	11.1
128.06229	4.1
129.05490	3.3
129.06995	19.7
131.04932	3.1
131.08562	29.1
133.06444	6.6
133.10112	18.9
135.08003	3.2
135.11691	14.1
137.06035	3.6
137.13292	2.7
141.06943	2.9
142.07797	4.7
143.08540	9.5
145.06516	7.0
145.10120	17.6
147.04420	2.9
147.08063	7.0
147.11664	27.8
149.09592	4.2
149.13205	5.4
151.11162	2.1
153.12732	3.3
155.08498	5.9
157.06482	3.8
157.10101	13.9
158.91423	2.4
159.08063	3.0
159.11661	12.1
161.06096	2.4
161.09608	2.8
161.13312	6.7
163.11192	6.9
165.12727	7.2
169.10121	4.2
171.11688	8.3
173.04459	4.2
173.13243	4.8
175.11221	9.0
175.14752	3.4
175.68687	2.2
177.12709	3.0
179.41649	2.1
181.10130	4.2
181.12059	2.7
183.11818	3.2
184.07436	2.2
185.13248	6.3
187.11230	2.6
187.14761	4.2
191.10652	4.6
193.12230	31.9
195.11708	2.8
197.13210	3.1
199.14767	2.1
201.12755	2.9
207.11903	2.1
209.13339	2.5
211.13275	42.2
211.15230	2.9
217.12309	2.5
227.12770	3.6
229.14384	2.7
233.36571	2.4
235.13208	5.8
249.14818	2.4
255.84927	2.3
261.22189	8.3
264.23303	2.0
267.15952	11.3
273.14868	3.3
277.14191	3.5
285.16977	9.5
301.14377	5.2
301.21249	2.4
315.22910	2.4
333.24188	2.9
335.25797	19.8
337.16104	2.7
341.24942	3.3
351.23132	3.3
355.17590	4.7
369.24146	8.2
387.25458	3.7
411.20239	4.9
443.28156	5.8
527.37134	8.5
545.38446	7.5
635.39587	3.8
653.40039	6.9
671.40881	8.8
689.42529	44.1
690.42889	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01868	6.1
55.05513	9.4
57.03441	8.0
59.04987	2.7
61.02914	3.1
61.32071	0.8
67.05502	9.0
69.07052	3.7
71.01386	0.9
71.04983	3.4
79.05493	12.8
81.03419	7.0
81.06597	0.8
81.07060	12.4
83.01338	7.9
83.04983	6.9
83.08605	7.7
85.02895	4.8
91.03905	0.9
91.05486	10.7
93.07041	19.3
95.04950	5.4
95.08604	5.0
97.02879	3.6
97.06503	3.2
98.21506	2.7
99.04454	2.2
105.07037	7.2
107.04933	6.3
107.08585	10.9
109.06516	5.2
109.10144	2.1
111.04451	1.3
111.08065	1.1
112.02674	0.8
117.06999	5.6
119.08583	5.9
121.06522	2.0
121.10150	5.1
123.08063	7.1
125.05971	1.6
127.03916	1.0
129.06966	0.9
131.08569	3.0
133.10089	2.0
135.08029	1.1
135.11711	8.5
137.09639	1.0
144.05939	1.0
145.10126	12.5
147.08047	1.1
153.12747	2.1
155.08533	1.1
163.11176	17.8
172.59938	1.0
173.09596	2.8
181.12204	3.5
191.10606	2.1
192.86197	0.8
200.22305	0.8
209.11745	5.2
215.38446	1.1
227.12769	5.2
283.15387	100.0
284.15900	1.8
353.26978	1.0
458.78876	0.9
467.02274	1.1
491.26370	46.4
492.26566	1.2
503.45010	0.8
507.60339	1.0
557.36987	0.9
661.54144	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	15.9
55.01864	9.6
55.05510	57.2
56.61159	4.4
57.03436	20.3
57.07077	4.2
61.02914	10.9
65.03928	7.1
66.15570	4.6
67.05501	87.4
68.56211	3.3
69.03426	56.8
69.07068	28.2
69.98727	8.4
69.99143	13.3
71.04974	16.5
73.02910	12.5
73.37017	4.2
79.05061	6.7
79.05489	78.1
81.03413	97.3
81.06585	6.0
81.07053	100.0
83.04980	33.1
83.08620	24.2
85.02909	36.6
85.06537	6.6
91.03970	5.6
91.05476	90.4
93.07045	73.8
95.04964	42.8
95.08607	51.3
97.02895	31.9
97.06520	12.9
97.10156	16.3
97.42155	3.8
99.04437	10.9
101.02375	4.9
103.03938	7.1
105.07024	84.3
107.04926	20.0
107.08592	39.6
109.02868	25.2
109.06503	15.8
109.10149	25.9
111.04465	18.7
111.08068	15.2
113.06008	4.2
115.05439	9.5
117.07032	38.9
119.08571	61.1
121.06515	8.1
121.10152	26.5
123.08051	9.7
123.11671	6.5
124.99740	3.7
125.09621	7.3
127.03934	9.5
128.06227	9.6
129.05478	8.1
129.06996	41.1
130.07805	4.2
131.08568	49.0
133.06514	8.7
133.10130	41.0
135.08029	10.2
135.11703	12.7
137.09663	4.6
141.07008	20.9
142.07805	5.3
143.08557	33.7
145.06467	8.7
145.10123	44.8
147.08147	5.6
147.11678	37.1
149.09624	13.5
149.13268	5.9
153.07040	8.6
154.07799	6.5
155.08536	32.6
155.30028	5.0
156.09361	7.3
157.06544	10.7
157.10130	38.8
159.08099	12.0
159.11659	23.7
161.09558	7.2
161.13309	7.6
163.11171	7.7
165.07001	6.0
166.59424	4.0
167.08553	15.0
168.09360	6.0
169.10129	29.0
171.08031	9.4
171.11661	28.0
173.04465	16.0
173.13229	14.4
175.11140	18.7
179.08577	11.1
181.10063	20.2
181.12260	4.7
183.08043	6.4
183.11690	27.3
185.09706	3.9
185.13239	13.9
187.11203	5.1
187.14847	5.5
189.11259	5.9
191.10689	6.0
192.09389	4.7
193.10239	8.0
193.12233	32.3
195.11687	19.9
197.13263	15.0
199.11163	8.6
199.14844	8.8
205.10184	6.3
207.11580	7.5
209.13203	13.3
211.11298	7.6
211.13280	36.5
211.14816	4.6
219.11623	5.5
221.13313	10.1
223.11142	5.5
223.14806	8.6
227.12814	13.4
235.11124	4.8
235.14905	4.2
237.12694	6.3
237.16292	4.0
239.14326	4.5
251.14189	3.9
257.19202	5.7
259.20651	4.5
263.17877	4.8
267.15866	7.0
271.20605	4.9
275.20197	8.5
283.20624	6.0
285.16861	11.5
293.22882	3.9
299.19977	5.1
313.21631	5.1
315.23068	4.6
321.21985	7.0
325.21552	5.6
339.23175	6.7
349.21442	9.7
367.22763	15.6
385.23804	6.9
423.24698	4.2
433.30896	11.2
441.26215	10.1
451.32117	5.4
459.27405	5.8
507.34430	8.3
525.35693	80.8
526.34906	5.1
543.36694	11.0
559.34271	4.8
567.36511	5.6
609.37579	4.5
627.38696	5.2
633.37378	9.9
651.39014	42.8
669.40161	24.3
687.41357	86.9
687.53046	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	687.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.6
53.03947	14.2
55.01874	13.4
55.05511	36.8
57.03440	9.6
57.07070	2.7
59.04985	3.5
65.03936	6.1
67.05504	79.3
69.03426	32.6
69.07070	23.1
71.04996	12.6
79.05492	79.1
81.03417	95.6
81.07054	79.0
83.01340	2.4
83.04975	21.9
83.08613	13.5
85.02888	8.7
85.06555	6.0
91.04906	2.8
91.05479	59.3
93.07040	78.4
93.07635	3.8
95.04968	19.4
95.08606	48.9
95.09228	1.8
97.02888	27.3
97.06516	14.0
97.10163	6.6
98.87495	1.6
99.04461	11.6
99.08102	2.9
102.77831	1.8
103.05425	3.3
105.04508	2.3
105.07025	43.2
107.04960	13.4
107.08592	44.9
109.02876	18.4
109.06524	10.5
109.10166	18.7
111.04442	15.9
111.08085	6.4
115.05454	3.8
117.07009	21.6
119.08575	30.2
121.06538	6.6
121.10137	31.1
121.85441	1.6
122.10502	1.7
122.99554	1.8
123.08063	9.3
123.11737	4.9
125.06062	2.2
125.09641	7.0
127.03904	18.7
128.06253	2.0
129.05559	1.7
129.07001	11.3
130.07800	2.6
131.08560	26.3
133.10133	18.9
135.08081	5.5
135.11681	30.7
137.09604	3.3
141.07021	3.6
142.07741	1.9
143.08578	9.0
145.06505	4.5
145.10106	24.0
147.08061	2.5
147.11661	12.3
149.09669	2.6
149.13289	7.8
153.12756	12.2
155.08580	4.3
157.10149	7.3
159.11725	12.3
161.09717	2.3
161.13315	6.0
163.11177	26.3
163.14890	2.5
167.08633	3.0
169.10187	4.7
171.08005	2.1
171.11685	3.5
173.04500	3.2
173.09651	5.7
173.13301	5.1
175.11226	2.5
175.14868	2.1
177.12752	1.8
181.10150	1.6
181.10655	2.1
181.12192	13.3
183.11734	3.7
185.13322	2.2
187.11227	2.0
187.14862	2.3
189.11288	3.9
189.12802	2.0
191.10681	7.1
193.12230	2.1
195.11847	2.4
197.13324	1.9
199.14871	2.2
209.11630	8.5
209.13423	1.7
211.14915	2.2
220.67294	1.6
227.12750	20.7
229.62801	1.8
243.21115	2.6
257.19107	2.6
259.20663	1.8
261.22208	6.7
265.24170	1.8
275.20074	15.5
283.15497	4.6
299.23831	2.1
315.23108	1.6
317.24799	3.1
335.25882	3.2
341.24857	2.5
349.24057	1.9
351.23251	2.1
353.15985	21.0
369.24420	3.7
387.25244	1.8
398.40436	1.9
409.18597	3.4
515.37213	4.6
543.37225	5.8
636.95709	2.0
669.39728	4.9
687.40997	100.0
688.41577	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	16.9
55.01866	13.1
55.05265	2.7
55.05511	38.8
57.03444	9.0
57.07055	3.3
58.32341	2.0
59.04988	2.3
62.40795	1.7
63.98670	1.8
65.03934	6.7
67.05505	80.0
68.05830	2.9
69.03426	28.1
69.07066	19.1
71.01357	1.8
71.04996	14.8
79.05492	71.2
81.03415	100.0
81.07054	70.1
83.01328	3.7
83.04976	23.6
83.08620	11.4
85.02895	9.0
85.06552	2.3
91.05477	53.2
93.07042	83.8
95.04985	19.5
95.08604	46.9
95.09068	1.1
97.02895	22.4
97.06546	7.2
97.10162	8.4
98.21528	3.8
99.04451	8.4
103.42864	1.6
105.07033	31.4
107.04955	12.4
107.08602	44.0
109.02879	19.0
109.06519	8.2
109.10155	25.5
110.10508	2.1
111.04443	14.2
111.08086	7.7
111.28555	2.2
115.05496	3.2
115.06902	1.9
117.07024	18.0
119.08584	25.8
121.06503	5.1
121.10138	30.8
123.08103	5.9
123.11681	3.4
125.09637	7.2
127.03922	13.9
129.05449	2.3
129.07013	6.6
131.04965	2.6
131.08560	24.4
133.10143	16.7
135.08067	4.4
135.11687	25.5
141.07002	3.2
143.08566	4.3
145.06448	2.9
145.10133	22.6
147.08043	2.9
147.11678	10.7
149.13275	6.8
153.12746	14.9
155.08536	4.1
157.10170	4.6
159.11690	9.8
161.13258	4.9
163.11180	21.0
163.14905	3.4
169.10133	2.4
171.08138	2.7
171.11743	4.0
173.04489	2.6
173.09633	3.9
173.11865	2.8
173.13277	6.4
175.11148	2.2
175.14865	2.4
181.10341	2.3
181.12263	10.8
183.11769	2.8
185.13300	4.0
187.11278	2.4
187.14835	2.6
189.11229	5.0
191.10663	9.3
197.13229	2.1
199.14935	2.6
209.11668	11.4
211.13284	2.2
227.12782	21.1
229.14206	9.3
230.14679	3.1
243.21132	2.7
261.22110	10.5
276.09235	2.1
283.15427	2.6
317.25021	2.5
335.14706	2.5
335.25952	9.3
336.26254	7.4
353.15961	23.9
369.24252	4.5
409.18292	2.6
487.33826	2.3
490.36142	6.6
525.34924	2.6
543.36591	3.8
660.05750	2.1
669.40173	4.3
687.40961	89.6
688.40759	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	686.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01882	1.3
55.05516	9.9
55.11301	1.0
57.03434	15.3
57.07072	1.9
59.04990	3.9
60.00149	1.1
61.02919	5.5
65.03934	1.4
65.77785	1.2
67.05501	100.0
69.03419	1.9
69.07066	6.5
69.51550	4.5
69.51981	5.1
71.04979	3.4
72.48544	1.2
79.05489	19.6
81.07050	35.7
83.08615	9.1
85.02888	5.2
85.06531	3.6
88.99882	1.2
91.03943	2.7
91.05470	15.2
93.06471	1.9
93.07040	25.3
95.04959	2.4
95.08594	25.9
95.09169	1.9
97.02901	2.8
97.10129	1.3
98.21519	2.2
99.08056	2.1
105.07027	7.3
107.08594	14.2
109.10151	75.6
111.08076	4.3
117.07002	4.0
119.08578	10.7
121.10146	12.2
121.32079	1.2
123.11727	3.5
131.08542	4.9
133.10117	4.4
135.11719	6.5
137.09578	2.0
137.13274	1.4
145.10083	3.8
147.11658	3.6
149.13246	3.7
155.10637	5.6
159.11673	3.2
161.13274	3.7
163.14804	3.3
170.41449	1.1
173.11749	26.4
173.13199	2.4
187.14883	2.6
227.12711	5.8
229.14337	99.9
230.14542	1.4
243.21039	4.5
261.22113	17.9
317.24686	3.6
335.25760	66.5
336.26114	1.8
348.07388	1.3
379.29712	1.3
397.30945	1.8
471.34708	1.5
489.35696	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	686.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11346	2.1
53.03948	5.7
55.01862	8.2
55.05301	2.0
55.05513	20.1
57.03438	9.1
58.48308	1.9
60.00944	1.9
65.03934	2.6
67.05502	39.1
68.05825	3.4
69.03432	3.6
69.07081	11.2
70.70984	6.5
71.04979	3.8
79.05486	50.5
79.05914	4.6
80.05814	2.8
81.03420	23.2
81.07050	39.4
82.07393	3.4
83.01334	2.8
83.04976	15.2
83.08618	14.0
84.26211	2.0
85.02894	6.3
85.06538	5.3
91.05476	46.3
92.05779	5.2
93.07040	51.0
94.07365	2.8
95.04951	22.2
95.08610	20.9
96.08964	2.2
97.02870	4.7
97.06538	6.0
97.10171	6.5
104.31721	2.4
105.07021	29.1
106.07361	3.2
107.04955	11.3
107.08597	19.7
109.02885	6.0
109.06508	6.7
109.10110	5.5
111.08067	3.8
117.07031	11.1
119.08584	21.0
121.06509	5.5
121.10142	8.4
122.10506	2.5
123.08054	8.8
128.06207	2.5
129.07014	13.5
131.08589	5.9
133.06529	2.6
133.10143	11.6
135.08020	4.4
135.11716	7.2
137.09634	3.4
141.09120	2.7
143.08562	8.0
145.06548	2.7
145.10118	18.4
146.06880	3.5
147.07990	4.3
147.11658	23.6
149.09647	2.7
149.13338	2.4
157.10110	5.9
161.09552	3.4
161.13289	3.7
163.11176	10.9
171.11688	16.1
173.09706	3.2
189.12717	3.1
193.12273	3.2
195.11708	2.7
204.81113	2.2
207.13774	17.6
211.13188	3.3
232.11842	2.4
273.15085	3.0
275.19974	4.3
276.20407	2.8
281.17468	40.8
283.15399	39.2
301.14236	4.0
471.27631	4.6
489.28409	100.0
490.29062	4.1
638.37146	2.6
668.39136	2.9
686.39795	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
55.05519	9.4
57.03436	15.9
57.07073	1.6
59.04994	2.9
61.02921	2.9
63.50068	1.6
65.03936	2.3
67.05504	100.0
69.03410	2.0
69.07055	6.1
70.00388	9.2
71.04992	3.8
73.02912	1.7
76.58067	1.3
79.05495	22.4
81.03416	1.8
81.07057	37.1
83.08623	10.3
85.02910	4.0
85.06521	3.0
91.05478	16.9
93.07037	30.3
95.04951	4.0
95.08603	27.4
97.02874	4.8
97.10182	1.7
98.21423	2.2
105.07043	7.5
107.08586	17.3
109.10152	78.3
110.06757	1.6
111.08073	4.0
117.06992	2.7
118.37484	1.4
119.08580	10.1
121.10141	13.8
121.28395	1.4
123.11695	3.4
125.09606	2.0
131.08582	8.7
133.10121	4.2
133.67760	1.7
135.11726	9.7
136.90971	1.5
137.09607	4.6
145.10097	4.0
147.11699	3.9
149.13232	4.5
155.10686	2.8
159.11697	4.2
161.13275	3.6
163.14848	2.1
170.05351	1.6
173.11757	24.2
173.13181	2.9
186.64613	1.5
187.14824	3.2
214.63889	1.6
227.12810	4.3
229.14336	98.1
230.14673	3.0
243.21068	5.0
261.22153	21.5
317.24710	5.2
335.25797	91.4
336.26187	4.6
360.36942	1.7
415.32083	2.7
489.35751	65.4
490.36087	2.1
507.36951	3.4
694.71680	1.5
702.20868	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.0
55.01847	5.6
55.05510	36.7
57.03413	13.4
57.07071	36.3
67.05497	33.4
69.03413	15.5
69.07060	15.6
71.04979	8.5
71.08633	28.7
74.52305	4.2
77.33480	4.0
79.05485	20.3
81.03414	77.9
81.07050	39.5
83.04978	100.0
83.08627	21.4
83.60247	4.0
85.02889	12.1
85.10159	9.1
91.05463	15.6
93.07024	17.4
95.04958	16.7
95.08589	29.5
97.02879	9.6
97.06514	5.5
97.10152	9.6
98.57848	3.7
99.04492	6.8
99.80689	3.8
105.07051	17.6
107.04939	7.6
107.08575	7.7
108.70472	3.5
109.02865	11.7
109.10132	17.8
111.04430	39.9
111.08058	11.4
119.08569	12.0
121.10106	10.1
123.11644	5.3
127.03894	9.7
129.05458	43.7
129.06952	6.4
131.08543	7.8
145.10077	5.1
147.11684	21.5
149.09647	5.9
153.12697	7.7
157.10100	13.6
161.54347	3.6
163.11165	8.4
165.12729	5.4
175.11162	9.2
181.12221	9.6
191.10625	12.3
193.12253	29.3
211.13290	54.1
227.12775	18.4
229.14307	10.3
230.54433	3.9
239.23793	5.8
267.15863	15.2
283.15344	7.9
285.16925	12.6
313.27304	61.0
335.25797	5.6
355.17261	7.6
379.99866	4.0
429.21008	12.3
505.38702	10.3
521.38464	4.7
523.39844	68.6
539.39093	6.6
667.43280	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	682.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.3
54.46858	2.8
55.05508	14.5
57.03432	4.7
64.95094	2.3
67.05500	3.0
67.39705	2.5
69.45325	2.0
69.45702	23.4
77.03914	2.7
79.05492	30.9
91.05483	13.8
93.07022	14.7
95.04971	8.7
95.08614	3.6
98.21522	5.3
107.04950	100.0
107.08585	2.6
117.69743	2.4
119.08516	2.9
121.06480	12.7
131.97862	2.8
132.91023	2.5
139.01543	2.9
149.09615	35.5
149.58588	2.7
189.92853	3.2
195.10162	32.9
303.21933	2.9
315.15927	4.5
343.19193	6.5
361.20224	6.7
420.43567	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.3
55.01871	11.2
55.05507	14.1
57.03428	8.5
57.07072	33.3
65.44061	2.3
67.05505	31.1
69.03433	15.7
69.05196	1.8
69.07067	11.2
71.04985	8.6
71.08626	22.6
73.02905	2.1
79.05487	12.3
81.03415	100.0
81.07052	26.4
81.54606	1.8
83.04986	25.7
83.08607	14.4
85.02898	5.2
85.06552	2.9
85.10174	14.2
91.05490	11.0
93.07040	18.9
95.04984	2.6
95.08593	25.2
97.02882	29.9
97.06529	5.7
97.10184	5.2
99.04444	9.6
105.07032	6.2
105.43430	2.3
107.04963	4.5
107.08618	12.1
109.02876	32.9
109.10146	13.7
111.04430	32.8
111.08072	10.1
117.06999	4.2
119.08576	6.1
121.06479	3.8
121.10116	9.4
121.42261	2.3
123.11726	4.5
125.06007	2.9
125.09654	2.6
127.03905	22.7
129.05403	2.5
131.08591	4.8
131.95811	2.1
135.11708	13.5
145.10120	12.3
145.45018	2.0
149.09659	5.4
153.12743	23.9
155.08575	3.2
163.11171	24.9
173.09592	6.0
181.12239	26.5
183.06496	3.1
191.10680	29.0
193.12212	2.2
209.11668	10.2
227.12782	54.3
227.14944	3.5
239.23795	4.6
255.23238	3.9
256.23572	4.5
283.15390	22.1
313.27344	63.3
314.72440	2.3
341.26740	4.0
353.15942	15.0
409.18311	2.7
427.19620	18.5
521.38196	6.0
539.39496	10.1
578.17590	2.4
665.42169	11.9
683.45435	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	682.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01858	1.8
55.05511	6.6
57.03424	2.2
61.02927	8.5
65.33829	0.7
67.05499	7.9
67.30629	0.8
69.03444	3.7
69.07066	2.9
71.58030	0.7
73.02927	3.9
79.05495	8.2
81.03404	1.6
81.07047	6.2
83.05010	0.9
83.08606	3.8
85.02901	7.4
86.06026	0.8
87.04517	0.8
91.03944	4.2
91.05479	4.1
93.05799	0.8
93.07042	4.4
94.06562	2.6
95.05008	1.0
95.08596	2.5
97.02880	5.3
97.10160	4.6
99.04437	2.3
100.91491	0.8
101.02354	0.9
105.07017	3.7
105.42088	0.8
106.06581	1.2
107.08604	3.0
108.08143	4.7
109.06529	1.3
109.10137	2.0
115.05446	0.9
117.06981	1.1
118.06540	0.9
119.08549	1.5
120.08118	3.5
121.10166	1.5
122.09674	1.3
122.63297	0.8
123.08090	1.0
124.07566	2.9
125.09634	2.8
126.09141	1.1
127.03879	1.2
131.08530	1.9
132.08080	3.7
133.08928	2.0
133.10114	2.5
134.09650	2.6
136.07570	2.1
138.09134	10.8
144.08055	1.5
145.10127	1.1
146.09650	2.5
147.11630	1.1
150.09151	1.9
152.10672	1.0
158.09648	1.7
160.11153	1.5
162.09171	1.1
164.10730	2.1
174.09096	1.8
176.10780	2.1
181.12146	0.9
188.10663	1.1
190.12238	1.1
214.17943	1.0
229.89580	0.9
232.16772	1.0
244.16982	1.0
258.18427	2.1
260.16467	2.0
262.17953	2.0
274.18008	2.3
276.19629	6.0
278.17535	2.5
290.17535	5.2
292.19000	1.9
294.20728	0.8
304.19229	1.4
308.18607	2.1
316.19000	1.7
318.20432	1.1
382.27609	0.9
400.28360	1.9
410.26910	4.9
428.27969	16.9
446.28943	2.8
450.66437	1.0
464.29999	1.5
476.29950	2.5
502.31628	13.4
520.32690	100.0
521.32990	2.8
532.32220	1.3
544.32672	5.2
562.33630	4.0
584.86169	0.8
586.33374	1.3
598.33844	1.8
610.33344	2.3
628.34656	2.6
646.35358	5.0
664.36438	3.2
682.34833	9.4
683.35883	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01858	1.8
55.05511	6.6
57.03424	2.2
61.02927	8.5
65.33829	0.7
67.05499	7.9
67.30629	0.8
69.03444	3.7
69.07066	2.9
71.58030	0.7
73.02927	3.9
79.05495	8.2
81.03404	1.6
81.07047	6.2
83.05010	0.9
83.08606	3.8
85.02901	7.4
86.06026	0.8
87.04517	0.8
91.03944	4.2
91.05479	4.1
93.05799	0.8
93.07042	4.4
94.06562	2.6
95.05008	1.0
95.08596	2.5
97.02880	5.3
97.10160	4.6
99.04437	2.3
100.91491	0.8
101.02354	0.9
105.07017	3.7
105.42088	0.8
106.06581	1.2
107.08604	3.0
108.08143	4.7
109.06529	1.3
109.10137	2.0
115.05446	0.9
117.06981	1.1
118.06540	0.9
119.08549	1.5
120.08118	3.5
121.10166	1.5
122.09674	1.3
122.63297	0.8
123.08090	1.0
124.07566	2.9
125.09634	2.8
126.09141	1.1
127.03879	1.2
131.08530	1.9
132.08080	3.7
133.08928	2.0
133.10114	2.5
134.09650	2.6
136.07570	2.1
138.09134	10.8
144.08055	1.5
145.10127	1.1
146.09650	2.5
147.11630	1.1
150.09151	1.9
152.10672	1.0
158.09648	1.7
160.11153	1.5
162.09171	1.1
164.10730	2.1
174.09096	1.8
176.10780	2.1
181.12146	0.9
188.10663	1.1
190.12238	1.1
214.17943	1.0
229.89580	0.9
232.16772	1.0
244.16982	1.0
258.18427	2.1
260.16467	2.0
262.17953	2.0
274.18008	2.3
276.19629	6.0
278.17535	2.5
290.17535	5.2
292.19000	1.9
294.20728	0.8
304.19229	1.4
308.18607	2.1
316.19000	1.7
318.20432	1.1
382.27609	0.9
400.28360	1.9
410.26910	4.9
428.27969	16.9
446.28943	2.8
450.66437	1.0
464.29999	1.5
476.29950	2.5
502.31628	13.4
520.32690	100.0
521.32990	2.8
532.32220	1.3
544.32672	5.2
562.33630	4.0
584.86169	0.8
586.33374	1.3
598.33844	1.8
610.33344	2.3
628.34656	2.6
646.35358	5.0
664.36438	3.2
682.34833	9.4
683.35883	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.2
57.03428	2.0
61.02927	4.2
63.72095	0.5
67.05511	3.8
69.03429	2.1
69.07063	1.4
70.18516	2.3
71.04990	1.0
73.02923	2.6
79.05501	2.8
81.03433	3.2
81.07052	5.0
83.04981	1.1
83.08618	1.6
85.02902	5.2
91.03966	3.2
91.05478	2.5
91.52441	0.5
93.07043	3.9
95.04977	1.6
95.08600	1.0
97.02889	3.8
98.20777	0.6
99.04432	0.9
101.02393	1.8
105.07015	1.8
107.08596	1.9
109.02844	0.9
109.06522	0.6
110.88521	0.5
111.08054	0.9
119.08567	1.1
121.10152	2.0
126.43672	0.6
127.03988	1.1
129.06978	0.7
131.08553	1.2
133.10170	0.9
135.11647	0.8
147.11726	0.9
149.13237	1.7
157.10155	1.0
159.11690	0.8
175.11218	0.6
182.93547	0.5
192.52882	0.7
193.12228	0.8
211.13377	0.6
235.13037	1.1
243.08559	2.3
269.12384	0.6
353.52280	0.7
453.21021	9.7
469.20374	7.7
601.68750	0.6
681.34534	100.0
682.34717	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.01865	0.8
55.05502	1.4
57.03431	2.3
58.28590	0.4
61.02922	4.6
67.05508	5.3
69.03433	2.5
69.07060	1.4
69.43663	4.3
71.04989	1.0
73.01896	0.4
73.02911	3.0
79.05501	3.7
81.03404	3.1
81.07050	6.0
83.04975	0.9
83.08621	1.5
85.02908	5.3
91.03964	2.7
91.05466	3.8
93.07045	5.0
95.04963	1.5
95.08625	2.4
97.02879	4.1
97.06558	0.7
99.04492	0.7
101.02374	1.9
105.07040	1.9
107.08585	1.9
109.02871	1.0
109.10140	1.3
111.08089	0.8
113.05991	0.5
117.07024	0.6
119.08577	1.8
121.10168	1.9
123.11709	0.6
125.09680	0.5
127.03920	1.1
129.06992	0.7
131.08589	1.5
133.10126	2.6
135.11725	1.1
137.09578	0.4
145.10129	0.7
147.11667	1.0
149.09647	0.7
149.13213	0.6
175.11111	1.0
177.12801	0.5
188.23114	0.5
192.72549	0.5
193.12305	0.5
195.13776	0.5
211.13263	0.6
235.13083	1.1
243.08501	1.6
251.12500	0.6
453.21024	8.5
469.20425	6.2
681.34485	100.0
682.34698	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	2.2
53.03943	4.6
55.01856	8.9
55.05512	67.5
57.03437	4.5
61.02921	3.7
65.03926	3.3
67.05502	35.6
69.03434	11.9
69.07066	36.5
71.04996	13.0
71.57332	4.5
79.05482	19.3
81.03410	6.1
81.07046	35.1
83.04965	2.4
83.08617	100.0
85.02918	18.5
85.06523	15.3
87.04443	3.0
87.08081	2.9
91.05478	49.5
93.03417	4.0
93.07037	56.2
95.04965	10.1
95.08609	17.6
97.02894	5.4
97.06556	11.5
97.07077	2.1
99.08099	8.4
105.03389	5.6
105.07030	25.3
107.04952	4.6
107.08602	18.5
109.06514	5.1
109.10167	5.4
111.08079	36.7
117.07028	13.6
119.08579	12.1
121.06504	6.8
121.10130	5.1
123.11746	2.5
127.03946	3.4
128.06226	3.8
129.07004	8.3
129.09120	23.6
130.07787	2.9
131.08559	24.4
133.06480	3.9
133.10126	22.7
135.08060	3.9
137.06062	2.2
139.07553	2.6
141.06944	4.2
143.08551	9.4
145.10121	8.0
147.08086	2.8
147.11681	6.3
149.09601	2.5
151.07610	2.9
151.11208	14.4
153.01826	8.1
155.08525	2.6
157.10123	4.3
159.08031	3.1
159.11697	3.3
161.13249	4.9
163.14795	2.9
169.12206	10.9
171.11668	5.7
173.13286	14.0
175.11092	3.4
181.10110	2.8
183.11684	4.0
185.13293	2.9
191.14328	10.2
197.13344	3.6
289.21664	4.6
301.21545	7.7
307.22705	13.1
313.11877	5.4
319.22672	51.0
337.23700	99.9
355.24777	58.0
373.13882	7.4
666.17871	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	679.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27805	2.1
53.03940	6.6
55.01861	8.3
55.05511	73.2
57.03432	5.3
65.03942	3.6
67.05503	38.1
68.83150	2.0
69.03420	10.2
69.07066	37.0
69.38509	23.1
69.72380	2.1
71.04994	9.3
79.05490	29.9
81.03418	6.2
81.07055	43.1
83.08617	100.0
85.02898	14.6
85.06557	13.2
85.18406	2.3
91.05474	43.7
93.03377	2.4
93.07038	59.1
95.04948	12.6
95.08605	18.9
97.02897	4.5
97.06538	7.8
98.21505	4.2
99.04408	3.6
99.08106	5.6
103.93511	2.4
105.03395	4.0
105.07026	32.3
107.04953	3.5
107.08591	18.0
109.06496	6.2
109.10107	2.6
111.08080	35.4
115.05502	2.1
117.07002	17.4
119.04947	3.4
119.08581	15.3
121.06485	3.6
121.10171	7.4
127.03931	3.2
128.06210	4.0
129.07007	7.1
129.09122	14.3
131.08565	21.7
133.06490	3.4
133.10109	22.6
135.08080	3.2
143.08583	5.4
145.06479	3.8
145.10104	13.9
147.08124	3.1
147.11670	6.2
151.11180	8.5
153.01837	7.0
155.08568	4.6
157.10135	7.5
159.08078	4.5
159.11731	3.6
161.13222	6.6
167.08603	2.5
169.10135	2.6
169.12265	10.1
171.11734	5.5
173.09561	3.1
173.13248	16.2
175.11179	4.5
183.11716	3.0
187.11166	2.7
187.13278	3.7
189.12709	4.0
191.14354	6.4
193.12164	3.5
220.39203	2.7
223.16826	2.5
239.11835	2.7
287.05511	4.3
289.21622	5.2
301.21695	9.0
307.22702	6.8
313.11594	3.1
319.22668	44.8
330.59467	2.1
337.23724	96.2
355.24829	49.9
373.13983	12.1
457.77774	2.5
614.71271	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10290	0.5
50.68827	0.5
51.40294	0.4
53.03947	0.6
55.01864	1.3
55.05502	2.1
57.03423	2.7
61.02925	3.4
64.46288	0.5
65.91794	0.6
67.05507	7.4
68.05833	0.7
69.03430	3.1
69.07056	2.1
70.07415	0.5
71.04990	1.1
73.02921	3.6
79.05499	5.2
79.21796	0.5
80.05824	0.5
81.03415	6.5
81.07053	7.1
82.03753	0.7
82.07394	0.8
83.04974	2.4
83.08622	2.3
85.02907	5.2
85.06545	0.9
87.04456	0.5
88.74845	0.5
91.03952	2.5
91.05477	6.4
92.05831	1.4
93.07048	5.2
95.04967	2.8
95.08623	2.4
96.05280	0.6
97.02895	3.4
97.06526	1.2
97.10190	1.0
99.04433	1.2
99.26399	0.5
101.02390	1.6
103.03954	0.7
105.07013	4.3
106.07367	1.1
107.05001	1.0
107.08584	5.0
109.02889	0.7
109.06524	1.3
109.10138	5.0
110.06857	0.6
110.10505	1.0
111.08067	0.8
117.07014	1.4
119.08606	1.9
121.10158	1.8
123.11713	0.8
127.03925	1.7
129.07028	0.8
131.08595	1.9
133.10135	5.6
134.10468	2.6
135.08118	0.5
135.11699	1.6
145.10124	0.6
147.11624	1.0
149.13281	1.7
151.11185	2.2
152.11531	1.1
157.10095	0.7
161.09656	0.7
163.11186	1.0
169.12254	0.8
175.11211	0.8
177.12923	0.6
184.07341	2.8
185.04268	0.6
193.12312	2.7
194.12602	0.7
200.15575	0.5
203.05228	0.5
211.13266	4.1
212.13702	2.1
227.14346	0.5
229.24844	0.6
243.08389	3.8
253.14333	10.5
254.14697	7.1
267.15994	0.9
271.15280	2.5
272.15784	1.8
285.17120	1.9
286.17322	1.4
356.96359	0.6
382.07077	0.6
424.73312	0.6
439.19836	0.8
446.26144	0.7
453.20929	6.9
464.26984	2.5
467.18857	6.1
481.28317	1.1
482.28275	6.4
517.27704	0.7
517.64270	0.6
651.33795	0.9
679.32916	100.0
680.33093	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	679.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.8
55.05497	1.3
56.02426	0.5
57.03440	2.3
57.61136	0.6
61.02930	3.8
65.50486	0.6
67.05507	4.9
69.03433	2.7
69.07066	1.1
71.01363	0.8
71.04989	1.3
73.02909	3.4
79.05508	3.6
81.03417	2.6
81.07056	4.9
83.04987	1.1
83.08604	1.6
85.02898	4.1
86.09705	2.5
86.14295	0.6
91.03963	2.6
91.05473	2.8
93.07056	3.8
95.04977	1.4
95.08622	1.6
97.02873	4.3
97.06501	1.2
98.20678	0.9
99.04443	0.9
101.02400	1.4
105.07034	1.4
107.04936	1.0
107.08610	3.1
109.02897	1.3
109.10181	1.0
111.08107	1.2
117.07004	0.8
119.08569	1.4
120.93163	0.6
121.06474	0.7
121.10152	1.6
123.08059	1.3
124.99984	2.4
127.03904	2.1
131.08582	0.9
133.57286	0.6
135.11710	1.1
145.10121	2.2
149.13255	1.2
159.11787	0.9
162.80980	0.5
163.11201	1.8
184.07347	8.4
185.07617	0.7
216.78882	0.5
224.00180	0.6
229.35248	0.9
243.08463	2.1
285.07101	0.6
288.92160	0.7
327.56573	0.7
453.20996	6.9
467.18909	8.2
482.31845	1.0
679.32941	100.0
680.33038	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	678.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50391	1.6
53.03941	2.6
55.01878	1.8
55.05509	14.5
57.03455	8.2
57.03685	1.8
59.04980	1.8
61.02915	5.7
65.03953	2.6
67.05507	70.9
67.47748	1.6
69.07061	11.9
70.72100	1.5
71.04986	17.0
71.58410	3.1
73.02919	2.7
75.04474	1.7
78.88998	1.6
79.05491	27.1
81.03415	8.4
81.07056	59.3
81.54617	1.6
83.04968	7.1
83.08617	8.4
85.02940	2.6
85.06535	6.7
91.05478	18.1
93.07042	37.1
94.07459	1.7
95.04956	5.9
95.08614	9.7
97.02882	3.0
97.06534	11.4
97.10182	3.3
99.08102	2.8
105.07017	6.4
107.08599	22.5
109.10152	30.6
111.08066	6.4
117.07018	4.9
119.08578	6.7
121.10161	9.7
121.74885	1.6
123.08082	2.8
123.11704	3.5
125.00053	3.7
128.36371	1.7
131.08577	2.4
133.10152	8.5
135.11694	21.6
137.09644	4.2
142.62492	2.0
145.04878	1.6
145.10104	4.8
149.09706	2.0
149.13240	10.8
151.11185	3.6
159.11679	7.5
163.11136	2.6
168.04271	1.7
173.11742	4.5
177.12767	3.1
181.12206	3.0
184.07344	12.7
195.13864	2.4
238.41530	2.1
255.15886	9.2
269.17438	16.4
287.18533	5.6
301.19885	3.4
394.75391	1.9
423.27423	64.3
437.29016	11.5
449.29001	100.0
450.29434	3.4
463.30417	4.6
467.18848	2.7
481.31580	40.1
484.65210	2.0
513.06525	2.1
623.35760	2.0
625.77307	1.8
679.32983	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.05501	2.0
56.59347	0.6
57.03431	2.3
61.02914	4.1
61.11517	0.5
67.05506	5.5
69.03432	3.2
69.07077	1.6
69.93833	3.2
71.01359	0.5
71.04999	1.1
73.02907	3.5
79.05492	5.0
81.03420	4.2
81.07052	6.1
83.04988	1.7
83.08616	2.1
85.02909	5.4
85.28788	0.5
86.09708	1.6
87.10052	0.5
88.56757	0.5
91.03945	2.7
91.05479	3.8
93.07050	4.5
94.88372	0.5
95.04975	1.5
95.08614	2.0
97.02879	3.9
97.06532	1.1
98.21461	0.7
99.04454	0.9
101.02374	1.9
105.07042	3.5
107.04964	1.5
107.08586	3.3
109.02899	1.1
109.06513	1.3
109.10165	1.3
111.08044	0.5
117.07047	1.9
119.08607	2.5
121.06464	0.6
121.10149	1.8
123.08079	1.3
125.00040	1.2
126.55865	0.5
127.03938	1.8
131.08592	1.9
133.10112	1.7
135.11696	2.1
145.10146	1.7
147.04216	0.5
149.13284	1.3
159.11725	0.6
163.11240	1.9
181.12238	0.7
184.07355	6.5
185.07796	0.8
193.12234	1.0
195.13908	0.5
211.13344	1.1
217.90277	0.6
233.15445	1.7
235.13176	0.7
243.08415	1.6
307.19107	0.9
388.17099	0.5
450.29459	1.7
453.20981	6.4
467.18887	9.5
482.32324	0.6
499.31009	1.3
679.32947	100.0
680.33203	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	678.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.3
56.01229	0.2
56.05028	0.8
58.06618	0.5
60.08160	6.8
67.05498	0.4
70.06568	0.2
70.17152	0.5
70.17553	0.4
71.07372	3.3
71.91678	0.1
79.05473	0.4
81.03414	0.4
81.07059	0.4
86.09704	32.1
87.10019	0.2
90.84063	0.2
91.04962	0.2
91.05485	0.5
97.02884	0.2
98.98457	3.2
100.55611	0.2
104.10744	2.9
104.38809	0.2
104.54372	0.1
105.06981	0.2
119.08620	0.2
125.00001	21.8
143.01080	0.3
153.01865	0.6
184.07335	100.0
185.07657	0.5
285.10132	0.2
365.76596	0.2
468.23389	0.2
550.93542	0.2
660.35382	0.2
678.36151	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	678.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01877	3.9
55.05513	7.3
55.32812	0.9
57.03440	8.7
57.07059	1.1
57.83908	0.8
59.05000	0.8
60.08172	0.9
61.02920	3.4
62.38628	0.9
67.03744	0.9
67.05507	25.1
68.49435	0.8
69.03435	4.8
69.07068	7.9
69.50111	7.6
70.55437	0.8
71.05007	5.4
71.84356	0.8
73.02883	1.4
75.15777	1.0
79.05070	1.2
79.05498	17.6
81.03419	30.4
81.07055	28.6
82.93645	0.9
83.04990	11.0
83.08617	9.0
85.02911	12.5
85.06535	3.8
86.09691	5.2
91.03944	2.1
91.05482	30.8
93.07044	15.6
95.04958	12.8
95.08599	7.5
97.02894	3.8
97.06524	2.7
97.10184	2.6
99.04459	1.8
99.08107	1.7
105.07031	24.4
107.04966	3.7
107.08596	19.6
109.06544	5.5
109.10157	35.6
111.04442	1.5
111.08077	3.7
113.06021	1.9
114.05794	1.0
117.07014	1.8
119.08582	9.2
121.06506	1.3
121.10154	3.8
123.08071	1.2
123.11720	7.1
124.99979	1.5
125.09731	1.3
127.07539	2.0
129.06966	5.4
131.08548	6.5
133.06506	1.9
133.10129	49.3
135.11662	1.7
136.03598	0.9
143.24251	1.0
145.10129	1.7
147.08101	1.3
147.11673	5.4
149.09608	3.9
149.13304	1.1
151.11189	20.4
157.10101	4.4
161.09613	2.1
163.11096	1.2
169.12254	3.7
175.11214	5.1
184.07364	12.6
193.12245	19.8
211.13289	36.5
214.18126	1.5
215.12804	2.5
241.05507	1.0
253.14351	100.0
254.14714	1.1
267.15955	6.9
271.15384	21.0
271.18130	1.5
276.61975	1.0
280.04819	1.0
285.16983	20.4
285.33197	1.0
286.17429	1.4
402.26306	0.9
445.26151	4.9
453.21036	1.6
463.26849	13.0
467.18814	1.6
481.27988	44.9
569.76862	1.1
661.43896	1.0
679.21942	1.5
679.32910	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
55.01872	9.1
55.05501	6.4
57.03426	2.0
60.16894	1.6
65.03928	2.4
67.05489	8.6
69.03425	9.7
69.07053	5.7
71.04978	2.2
71.57810	2.0
73.02913	2.1
73.32941	1.5
79.01842	3.9
79.05488	28.3
81.03394	10.7
81.07034	6.8
83.04963	2.7
83.08623	9.5
85.02897	20.8
85.06525	2.6
86.09698	7.3
91.05479	31.0
92.05853	2.1
93.07042	31.9
94.04193	2.0
94.07363	1.8
95.04964	13.6
95.08615	8.0
96.08974	1.8
97.02881	11.7
97.06513	9.4
99.04437	3.9
103.05441	2.6
105.07020	11.2
106.07343	2.4
107.04948	4.7
107.08559	4.7
109.02872	9.4
109.06496	6.6
109.10151	14.0
110.10464	4.7
111.04449	4.2
111.08083	9.5
115.05436	3.4
119.04925	13.6
119.08559	6.7
120.08852	2.2
121.06503	13.2
121.10155	1.6
122.03676	3.8
122.10386	1.6
123.04404	1.9
123.08041	3.6
123.82378	1.6
124.99981	3.2
127.03921	10.7
128.06206	2.2
129.06998	8.8
131.04922	8.0
131.08549	4.8
133.06517	4.1
133.10150	3.2
135.08029	7.8
135.11673	11.2
136.05174	1.9
136.12027	5.5
137.05969	78.8
137.09613	3.4
139.06519	2.9
139.07536	37.8
141.06967	2.0
143.03403	5.0
143.04897	1.6
143.08545	2.7
145.02815	3.9
145.04948	3.5
145.06474	5.1
147.08040	2.8
147.11674	2.3
149.05992	9.8
149.09537	2.4
151.03909	4.7
151.07538	84.7
153.01820	66.4
154.02174	13.8
157.06453	10.0
157.08588	2.1
159.08104	3.0
161.05984	17.7
161.09596	2.3
163.07523	24.5
165.07018	6.2
165.09093	3.8
166.07828	2.0
167.07108	2.9
167.08585	7.0
174.06721	4.2
174.17162	1.6
175.07527	10.3
175.14813	7.0
176.15147	3.1
177.05446	5.0
177.09131	15.3
181.08580	2.8
184.07330	17.5
187.07491	3.7
189.09097	29.2
193.06538	2.9
193.08528	2.3
193.10136	3.5
193.15874	5.3
195.08018	15.9
195.10159	6.4
201.09102	3.9
207.10167	7.9
209.09645	3.5
211.07512	2.3
211.16931	7.3
212.08409	3.8
212.17264	5.8
219.10112	8.0
221.05908	6.3
221.09651	4.7
223.07541	6.4
225.09047	7.4
227.10677	26.1
233.01045	1.6
237.09006	2.8
240.07816	2.5
241.12166	2.3
248.08253	1.5
249.09035	4.9
253.08649	9.4
253.12166	12.0
253.14442	2.3
255.10159	21.1
257.11719	3.0
265.10767	2.8
267.10110	3.8
269.11713	3.1
272.10403	1.8
281.11615	4.7
283.11780	4.5
285.11139	15.2
287.12793	45.0
298.11594	2.4
299.12741	3.3
301.13937	1.8
305.02872	5.8
306.03281	4.2
311.12790	3.4
313.11017	2.5
313.14352	44.1
314.14661	2.7
325.14160	1.9
331.15390	100.0
332.15686	3.7
343.15329	6.6
421.16449	3.7
426.82156	1.7
439.17447	2.2
451.21039	3.9
530.14240	2.0
613.26221	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.9
55.01863	10.1
55.05504	5.1
56.17457	2.3
64.08374	2.3
67.05489	6.5
69.03423	11.7
71.10410	5.6
71.10734	2.6
73.19395	2.2
77.00552	2.3
79.05493	46.5
81.03426	12.0
81.07037	8.3
83.08615	6.6
85.02896	25.8
86.09705	11.5
91.05486	30.4
92.02283	2.2
93.07044	40.1
95.04980	16.5
95.08603	3.6
97.02892	5.2
97.06509	3.6
99.04466	2.9
103.05453	7.1
105.07052	12.2
107.04918	5.9
107.08564	3.8
109.02834	3.4
109.06487	5.2
109.78048	2.3
111.04490	4.6
111.08052	8.7
115.05507	3.1
117.07006	5.1
119.04930	10.6
119.08568	3.1
121.06538	15.7
122.03632	2.8
123.04420	2.6
123.08055	2.8
125.00003	8.2
127.03903	8.5
129.06981	8.5
131.04919	10.8
131.08597	3.9
133.06474	5.4
133.10091	2.7
135.08067	5.9
137.05975	75.4
139.07550	35.2
145.05054	2.6
147.08041	4.2
149.05981	8.3
151.03923	4.9
151.07539	63.8
153.01839	8.3
157.06485	5.5
158.40080	2.6
159.08051	3.6
161.05954	9.5
161.09644	2.6
163.07539	26.2
165.09088	4.9
167.08540	5.2
173.09633	2.7
174.06686	3.1
175.07568	11.4
177.05318	2.4
177.09108	21.6
179.07080	2.9
184.07347	41.8
187.07567	5.3
189.09134	21.9
195.08011	10.6
195.10167	10.3
197.05994	4.1
200.14294	2.5
201.09155	5.3
205.08557	4.0
207.10201	3.5
213.09178	3.5
219.10162	3.1
221.06091	4.0
221.09691	5.0
221.11705	4.8
223.07599	4.8
225.09151	5.6
227.10684	17.5
237.08972	3.1
249.09087	4.1
253.08469	5.5
253.12247	7.0
255.07654	3.6
255.09969	14.4
265.10742	5.4
267.10165	3.9
269.11740	5.4
281.11902	3.5
283.11752	4.5
285.11179	7.9
287.12741	29.6
299.12769	3.1
311.12714	4.4
313.14319	29.0
331.15402	100.0
343.15387	10.8
415.61911	3.1
433.19901	4.0
449.19687	2.5
451.21228	8.6
481.27762	2.6
577.23792	2.5
578.46155	3.0
595.25464	4.3
613.26532	5.5
678.35522	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	678.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
64.86325	17.7
71.58220	33.4
86.02383	17.5
102.36491	17.3
123.91618	18.2
124.87116	17.4
125.99133	19.7
126.78770	19.8
131.16873	20.9
167.44113	21.0
168.24525	20.5
201.76685	19.4
455.75381	24.8
459.22025	38.8
475.21356	27.7
543.63922	22.5
547.26489	41.5
561.25348	38.0
563.26465	28.7
593.24530	38.2
606.28766	100.0
621.26965	68.6
622.27142	59.5
638.27496	47.9
678.28912	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	678.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63304	0.7
53.03932	1.0
55.01862	1.4
55.05507	0.7
59.09055	0.7
60.08149	1.0
62.35097	0.6
63.19798	0.7
67.05491	1.5
68.77747	0.6
69.03418	1.1
69.07032	1.2
69.51292	4.0
69.51721	1.7
79.05496	4.9
81.03413	2.0
81.07050	1.6
85.02906	3.3
86.09705	4.7
88.45813	0.7
91.05491	3.9
93.07030	6.1
95.04944	2.5
96.37953	0.7
97.02894	1.2
97.06480	0.7
99.04465	1.0
103.05464	6.7
104.04093	0.6
105.07034	2.1
107.04954	1.1
107.08568	1.6
109.02869	1.3
109.06543	0.8
109.10156	1.1
111.08077	0.8
113.25516	0.7
113.64348	0.6
115.03886	1.0
117.07001	2.4
119.04938	0.9
120.08067	0.6
121.06496	3.1
122.03612	1.2
123.08070	1.0
124.99974	2.6
127.03924	1.9
131.04927	17.1
131.08511	0.7
133.06454	1.1
137.05963	21.1
137.06938	1.4
137.09590	0.8
139.07536	6.3
143.08571	0.7
145.02835	0.7
145.06462	1.6
149.05913	0.8
149.09561	1.0
151.07529	8.1
153.01807	1.4
157.06487	0.8
159.07953	0.7
161.04810	0.8
161.05991	3.1
162.06708	1.6
163.07532	38.6
164.07817	0.9
165.09079	0.9
167.08470	0.7
175.07571	3.6
177.05666	2.2
177.09096	100.0
178.09421	2.3
182.07736	0.7
184.07326	14.2
189.09114	2.0
195.08310	1.0
195.10185	2.3
203.10629	1.2
219.10229	0.9
221.11685	16.3
227.10660	1.2
229.74028	0.7
253.08582	0.8
253.12134	1.2
255.10175	1.2
265.08414	1.3
285.11270	1.1
287.12735	3.0
293.11591	1.0
297.11371	1.0
299.11041	1.0
311.12753	3.1
313.14288	2.5
331.15332	7.0
343.15402	4.3
383.05136	0.8
678.36151	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01505	2.4
53.03934	3.6
55.05516	23.5
57.03427	8.3
57.07072	3.9
61.02922	19.5
65.03931	5.2
67.05505	88.5
67.99228	2.3
69.03397	6.0
69.07069	18.4
69.25098	26.7
71.04975	3.2
73.02904	9.0
79.05502	48.3
80.30056	2.6
81.03415	3.5
81.07056	100.0
83.08607	7.7
85.02905	25.6
85.06527	3.4
91.03949	19.7
91.05470	26.2
93.07041	71.3
95.04967	6.6
95.08602	79.2
97.02900	11.9
97.06557	4.0
97.08629	2.4
97.10164	2.5
99.08085	3.2
105.07037	21.3
107.08596	42.4
109.10159	42.2
109.75430	2.2
111.08040	2.4
117.07005	10.5
119.08576	19.1
121.10139	38.4
123.11704	20.9
127.03901	7.0
131.08559	26.0
133.10130	22.3
135.11678	32.9
137.13246	6.5
145.04941	8.9
145.10088	19.1
147.11664	16.5
149.13264	24.4
151.14902	3.0
159.11710	19.1
161.13295	14.7
163.06000	7.9
163.14786	15.8
165.12793	3.6
173.13268	21.5
175.14827	4.6
177.16336	5.3
187.14806	12.0
201.16423	6.7
239.46886	2.3
243.21112	27.2
261.22141	90.4
279.23120	7.9
335.25739	31.6
353.26917	29.8
497.31006	4.2
677.34406	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	677.371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.1
57.07067	1.2
67.05493	2.1
67.68935	0.6
69.03438	1.3
69.07056	1.3
69.30112	4.4
69.30537	3.1
70.06590	0.6
70.35207	0.8
71.08627	1.0
79.05487	2.1
81.03397	2.2
81.07046	1.4
85.02930	0.8
88.07655	0.7
91.05485	1.1
93.07044	1.9
95.04954	1.1
95.08607	2.0
105.07022	1.2
107.06361	0.6
107.08605	0.7
109.10170	0.8
119.08576	0.9
121.10147	0.7
135.11661	0.9
148.83318	0.7
149.02408	1.1
163.80762	0.6
193.05032	1.3
203.05295	1.1
227.20129	2.7
239.75800	0.7
256.26462	2.8
268.07513	0.7
347.09573	1.1
365.10687	2.7
421.13171	1.4
515.31836	17.6
677.37122	100.0
677.55481	3.3
678.37482	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	677.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.0
57.03422	1.7
61.02928	6.0
66.81023	1.0
67.05507	8.7
69.03428	3.8
69.07063	1.9
70.31474	1.5
70.31818	4.9
73.02921	2.2
74.48795	1.2
79.05490	8.3
81.03415	2.0
81.07058	10.8
83.05004	1.8
83.08598	2.5
85.02913	5.2
91.03970	2.9
91.05483	5.5
93.07059	8.2
95.04955	2.6
95.08620	5.9
97.02881	3.2
98.51453	1.3
99.04490	1.1
103.06370	1.2
105.07017	4.4
107.04965	1.6
107.08583	4.9
109.02896	1.3
109.10166	2.4
119.08574	1.5
121.10162	2.8
125.85004	1.3
127.03894	1.4
129.07008	1.7
131.08612	1.7
133.10178	2.0
135.11723	1.6
147.11705	2.4
149.13243	3.7
159.11626	1.3
171.11723	1.2
194.04706	1.4
203.71489	1.2
205.30263	1.3
243.08485	2.6
243.21095	2.2
261.22186	5.0
269.17566	1.4
353.26807	1.5
453.20694	7.7
465.20996	6.9
541.33832	1.3
677.35022	100.0
678.35211	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	677.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.05494	1.4
57.07058	0.5
58.68292	0.3
61.04569	0.3
67.05228	0.3
67.05503	3.8
69.03419	2.1
69.07083	2.0
71.04969	0.9
71.57545	0.4
79.01841	2.5
79.05482	1.1
81.03405	1.4
81.07041	3.8
83.04982	1.9
83.08616	1.3
85.02911	0.7
85.06531	0.5
91.05480	1.1
93.07047	2.1
93.07553	0.3
95.04957	0.6
95.08607	6.1
97.02885	1.7
97.10136	0.4
99.08076	0.8
105.07040	1.9
105.70100	0.4
107.01295	0.5
107.08591	3.9
109.02873	1.1
109.06506	1.5
109.10153	18.1
110.10458	0.4
111.08067	0.8
119.08568	6.0
121.10124	2.5
123.08058	1.8
123.11726	1.7
125.02362	2.0
127.03895	1.3
133.10110	2.4
135.11684	16.7
137.06003	0.4
137.09592	3.2
139.11169	0.5
143.03391	5.7
145.04959	0.4
149.13272	1.0
151.11148	1.8
151.14827	2.2
153.01820	100.0
154.02132	0.8
165.16461	0.6
171.02913	0.7
175.14818	6.4
193.15877	8.9
211.16927	13.3
235.87282	0.3
297.06104	1.6
305.02905	13.9
315.07004	0.5
319.22806	0.4
323.03976	0.9
355.18814	0.3
441.87418	0.4
449.07043	1.1
467.08215	1.2
474.16751	0.5
512.20514	0.6
627.23883	0.5
650.15918	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.8
53.03942	0.6
53.38079	0.4
55.01856	0.6
55.05492	1.9
55.83003	0.4
64.60302	0.5
64.90350	0.5
65.03918	0.7
67.05515	2.7
69.03413	2.1
69.07047	1.6
69.66573	3.8
71.04989	0.6
71.08628	0.5
71.20451	0.4
76.31371	0.5
79.01840	3.7
79.05473	2.0
81.03401	3.0
81.07059	3.1
83.04963	0.7
83.08585	0.6
83.48656	0.5
83.71186	0.5
85.02891	0.5
85.06527	0.8
86.09686	0.6
88.54039	0.6
91.05474	1.5
93.07023	2.1
95.04942	1.0
95.08597	4.0
97.02888	7.5
97.06512	0.7
99.04442	0.6
103.05482	0.8
105.07034	1.2
107.01296	1.3
107.08599	2.7
109.02886	4.2
109.06523	1.1
109.10151	10.4
111.08007	0.6
119.08572	3.8
121.10120	1.5
123.00782	0.8
123.08044	1.0
123.11717	1.0
125.02340	4.0
127.03900	7.6
131.04947	0.8
133.10104	2.2
135.11667	8.8
136.07497	0.5
137.05965	1.6
137.09607	1.8
143.03383	6.6
147.11699	0.6
149.13258	0.6
151.11191	1.3
151.14853	1.2
153.01819	100.0
154.02153	0.9
163.07550	0.8
171.02879	15.1
175.14810	3.3
177.05406	0.6
179.37102	0.6
184.07341	0.9
191.29199	0.5
193.15834	4.4
211.16885	5.7
279.04999	0.9
297.06015	4.9
315.07150	0.5
449.07120	0.6
467.08417	2.7
489.27417	0.5
503.25778	0.6
552.95123	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61623	1.1
52.13707	1.2
53.03934	2.6
55.01867	1.9
55.05511	11.7
57.03435	9.2
61.02917	3.2
67.05502	28.0
69.03420	2.0
69.07063	9.7
71.04982	2.4
79.05492	24.2
81.03416	32.6
81.07053	42.6
81.70686	1.1
83.04969	10.8
83.08620	17.5
85.02901	14.5
85.06534	2.2
91.05480	25.9
93.06477	1.9
93.07037	26.8
95.04960	13.0
95.08603	11.8
97.02893	2.5
97.06536	4.1
97.10165	2.2
99.08096	1.9
105.07024	14.6
107.04984	3.0
107.08588	13.0
109.06509	4.5
109.10155	2.0
111.08081	6.8
117.07008	4.3
119.08582	9.0
121.10133	9.5
123.08043	2.4
123.11744	1.7
129.06990	5.8
131.08549	9.2
133.10129	11.7
135.11664	3.8
147.08078	1.2
147.11662	9.5
149.09619	3.6
149.13263	7.5
157.10109	7.6
159.11728	3.8
165.12701	1.5
175.11208	8.6
177.12714	2.1
179.10815	1.2
193.12234	25.9
194.17941	1.3
195.13843	6.2
211.13295	40.8
212.13728	1.2
267.15887	14.9
269.17465	38.0
270.17694	1.9
285.16934	39.1
443.28137	1.6
461.28940	16.8
479.30020	100.0
480.30197	5.2
498.18976	2.7
623.33435	1.8
676.27002	7.4
677.27063	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.6
55.05517	14.5
57.03231	1.5
57.03439	16.2
57.07068	1.8
59.43345	1.9
61.02912	4.9
61.33738	2.0
67.05177	3.6
67.05505	44.5
67.05869	2.1
69.03426	4.3
69.07072	17.5
71.04972	6.0
72.00346	2.1
73.51300	1.8
74.82949	1.8
79.05065	2.6
79.05495	34.6
81.03418	54.1
81.07059	59.5
82.07391	1.9
83.04988	16.9
83.08620	22.5
85.02907	16.6
85.06519	3.7
91.05479	31.9
93.07046	48.8
95.04976	23.7
95.08606	15.4
97.02911	4.2
97.06535	8.7
97.10146	5.6
99.08094	2.9
105.07034	17.5
107.04944	3.5
107.08603	20.1
109.06497	4.4
109.10155	4.3
111.08103	11.5
117.07007	4.8
117.38957	1.7
119.08587	14.2
121.10137	17.2
129.07028	9.5
131.08566	13.5
133.06464	2.0
133.10132	12.5
135.11717	3.0
136.00771	1.8
142.07701	2.1
147.07979	2.2
147.11685	14.7
149.09576	4.1
149.13234	15.3
157.10127	11.5
159.11681	8.1
165.12740	2.9
175.11192	9.9
177.12822	3.9
193.12239	28.7
195.13780	7.7
211.13306	54.7
221.17213	2.0
249.14981	2.4
267.15909	28.4
269.17493	65.1
285.16965	41.5
285.19556	1.3
435.27103	2.3
450.19980	2.1
461.28979	54.6
479.30038	100.0
480.30130	5.6
556.18213	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.01845	2.7
55.05505	11.0
57.03429	6.4
57.07063	2.3
60.08161	2.6
61.02920	2.4
67.05502	27.3
69.03416	5.4
69.07063	11.2
69.43299	4.5
69.43719	12.3
71.04981	3.3
76.00427	1.5
79.05490	20.0
81.03427	10.2
81.07057	47.3
83.04970	6.1
83.08628	8.9
85.02895	6.5
85.06531	2.7
86.09709	11.7
90.34768	1.5
91.05481	24.7
93.07044	23.2
95.04984	9.5
95.08595	16.9
97.02893	3.7
97.06514	5.4
97.10150	5.2
99.08071	2.1
105.07033	22.2
107.04938	4.3
107.08591	13.6
109.06498	6.6
109.10155	8.2
111.08067	2.8
117.06994	7.2
119.08582	18.5
121.06474	3.3
121.10123	12.8
123.08071	3.2
123.11694	9.5
124.99988	7.1
125.09614	3.8
127.03887	2.8
129.07004	6.0
131.04836	1.8
131.08574	10.2
133.06444	2.3
133.10118	9.7
135.08144	2.6
135.11697	3.6
137.05977	4.6
137.09550	2.2
141.06972	2.0
142.07738	1.7
143.08530	5.7
145.06456	2.5
145.10092	5.4
145.11122	1.9
147.07983	3.7
147.11673	20.7
149.09625	3.3
149.13254	2.6
151.11165	3.8
153.01825	4.9
155.08492	2.1
157.10089	4.3
159.08072	1.8
159.11652	4.6
163.11229	1.7
165.12747	6.4
167.07047	1.6
169.10114	2.0
171.11665	2.5
175.11212	2.4
177.09085	2.1
181.09999	2.6
184.07329	33.4
193.12297	2.3
195.06534	1.7
199.14809	2.8
211.13281	4.5
215.10643	2.2
267.15836	11.8
269.17529	5.0
278.82767	1.6
285.16818	2.7
289.79636	1.9
308.58826	2.0
335.09760	1.6
341.24612	2.0
351.23184	4.5
369.24188	9.3
387.25107	8.2
398.95078	1.7
405.25851	2.3
433.29266	2.5
443.27969	19.4
458.30316	1.7
460.28076	2.5
461.28989	100.0
462.28802	2.6
479.30008	25.1
480.30505	2.0
485.28751	2.9
503.30478	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10334	0.6
50.65149	0.7
53.03942	0.7
55.01868	1.2
55.03633	0.7
55.05510	2.4
57.03425	1.6
60.15963	0.6
61.02932	1.0
67.05505	4.8
69.03427	0.8
69.07095	1.4
69.94637	1.5
69.95050	3.3
71.04997	1.3
73.02970	0.6
76.82281	0.6
79.05505	4.0
79.25693	0.6
80.05840	0.8
81.03413	2.7
81.07049	6.3
82.07385	0.9
83.04984	1.3
83.08617	1.8
85.02886	2.0
85.06602	0.7
91.05492	2.8
93.07043	4.8
94.07386	0.7
95.04974	2.2
95.08609	3.0
97.02864	1.2
97.06557	1.0
105.07020	1.6
107.08577	2.4
109.06561	0.7
109.10167	0.8
111.08088	1.3
117.07076	0.9
119.08587	0.9
121.10155	1.1
123.11688	0.8
125.09716	0.8
131.08559	1.1
133.10072	1.1
149.13229	1.3
150.13600	0.8
159.11728	1.0
163.11127	1.7
177.12854	0.8
195.13794	1.1
253.13393	1.1
267.15875	1.6
269.17514	4.5
270.17877	2.3
283.15475	3.5
284.15842	1.9
285.17093	0.9
343.77005	0.7
441.19461	1.0
455.13516	1.1
467.17746	0.9
468.14209	2.0
469.14658	5.6
470.15384	1.1
471.16360	1.9
472.17642	0.9
477.28705	2.4
478.28873	9.5
479.29962	2.7
481.14685	1.5
482.15872	8.4
483.16641	8.7
484.17386	2.3
485.18057	1.4
487.16412	1.1
495.16995	4.4
496.17453	5.6
497.18228	34.5
498.18976	4.5
500.16980	1.1
501.17899	0.7
510.18881	1.7
511.19690	5.2
512.20050	1.3
515.19250	2.5
528.16327	1.5
542.17883	1.0
555.18335	3.5
556.19476	3.0
557.20355	2.9
573.22968	1.2
643.24103	5.3
644.24835	4.5
645.23773	1.6
657.25787	4.5
660.24500	2.0
675.26605	100.0
676.26874	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	675.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
55.01871	8.4
55.05274	1.5
55.05513	21.7
56.63581	1.5
57.03431	3.6
57.07057	6.7
67.05506	15.8
69.03429	3.4
69.06718	2.2
69.07061	21.8
71.04969	2.1
71.08621	5.3
71.57850	2.1
73.02897	2.5
75.30486	1.5
79.05482	10.9
81.02985	2.7
81.03420	35.8
81.07050	18.5
83.04980	3.2
83.08619	21.6
91.05489	11.4
93.07031	13.9
94.07352	2.1
95.04964	11.0
95.08609	9.6
97.06486	3.3
97.10175	10.8
98.97859	3.0
98.98463	40.8
103.27042	1.5
105.06986	8.3
107.04936	3.7
107.08586	6.5
109.04166	1.6
109.06514	2.0
109.10164	3.9
111.08058	3.0
111.11687	3.4
116.99526	1.7
117.07019	2.1
119.08579	5.4
121.10114	7.8
123.08022	1.9
129.06960	4.1
130.45422	1.6
131.08527	5.2
133.10117	6.4
135.11661	3.9
147.11673	5.0
149.09663	2.7
155.01016	5.7
157.10138	6.0
173.02100	6.3
175.11172	4.7
193.12254	18.8
211.13353	2.2
237.22104	4.8
249.14899	5.0
256.25995	1.7
267.15915	28.9
311.25800	24.1
403.15179	2.0
496.24786	1.7
503.37280	100.0
555.68689	1.8
580.35455	1.8
675.43097	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	675.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.0
55.01878	3.7
55.05505	3.2
57.03428	1.8
60.71581	1.2
64.12165	1.0
67.05499	14.4
69.03421	4.3
69.07070	5.3
71.04987	2.7
71.58073	1.8
79.05487	10.3
81.03414	11.7
81.07055	26.0
82.59872	1.2
83.04967	3.4
83.08622	3.8
85.02917	3.5
85.06557	2.3
91.05481	19.1
93.07047	8.9
95.04978	5.7
95.08601	5.6
97.02892	2.3
97.06521	7.6
97.10193	1.7
99.04431	1.6
99.08080	2.5
99.55439	1.1
105.07021	19.6
107.04951	2.9
107.08598	9.0
109.02876	9.3
109.06520	6.5
109.10159	2.7
111.08080	1.6
113.06004	1.9
114.95541	1.0
117.07059	1.5
119.08581	15.5
121.06498	1.7
121.10136	10.7
123.04420	1.2
123.08044	2.6
123.11707	11.7
125.09653	1.3
127.03922	10.6
129.06995	6.4
131.08556	3.7
133.10114	7.0
135.11691	1.4
136.07602	1.4
137.02356	4.3
137.05919	2.8
137.09651	1.9
139.20642	1.3
142.07782	2.1
145.10075	2.3
147.08025	1.2
147.11681	46.5
149.09624	2.4
153.01833	5.4
157.10147	13.4
165.12749	17.1
167.07074	2.6
175.11205	15.0
177.05521	1.9
184.07378	2.0
193.12218	15.6
211.13295	4.6
229.05093	2.8
229.14352	100.0
230.14684	3.1
257.04285	1.3
267.15939	1.8
303.04999	68.4
304.05475	2.8
345.06024	3.2
355.17398	8.1
417.61954	1.4
459.27408	2.6
460.27820	3.5
461.64728	1.3
467.31525	1.5
477.28665	1.5
478.28690	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	675.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.01874	4.5
55.05507	3.4
57.03429	1.6
65.03925	0.9
65.12520	0.6
67.05176	0.9
67.05502	14.0
69.03428	3.7
69.06785	0.6
69.07062	6.4
71.04979	2.4
71.58315	0.9
79.05485	9.7
81.02982	0.9
81.03418	10.9
81.07053	26.8
83.04965	2.7
83.05411	0.7
83.08604	1.8
85.02919	3.1
85.06532	2.3
85.86581	0.6
88.07133	0.6
91.05477	19.1
93.07047	7.7
95.04963	7.4
95.08604	6.2
97.02873	2.6
97.06526	8.8
99.04445	2.5
99.08080	2.7
103.05489	0.6
105.07027	18.7
107.04937	2.2
107.08598	5.9
109.02862	8.2
109.06509	5.6
109.10146	1.5
111.04411	1.8
111.08051	1.4
113.06024	3.9
115.05422	0.9
117.06966	1.5
119.08580	20.4
121.06474	0.7
121.10140	7.2
123.08028	0.9
123.11702	10.2
125.00008	1.0
127.03915	15.0
127.07543	1.6
129.06992	6.6
131.08559	4.0
133.06458	1.1
133.10135	6.4
135.08090	0.7
137.02315	2.7
137.05939	1.2
137.09566	0.8
142.07794	2.3
145.03075	0.5
145.10071	1.4
147.11684	50.4
148.12108	1.1
149.09618	5.2
149.13220	0.7
151.11131	1.0
153.01840	3.6
157.10123	18.2
161.05927	0.7
163.11197	0.9
165.01805	1.5
165.12753	13.6
167.07036	1.1
171.11652	0.7
173.06064	0.6
175.11176	24.0
177.05389	0.8
184.07344	3.3
193.12242	26.6
194.12611	1.0
200.28430	0.7
201.05537	1.5
211.13287	5.3
229.05009	3.3
229.14342	100.0
229.83777	0.7
230.14738	2.0
257.04407	1.8
267.15952	1.0
283.15411	1.1
285.16913	0.9
287.14481	0.8
303.04987	62.0
304.05219	1.8
327.05020	1.2
337.16599	2.2
345.05988	5.1
355.17532	11.0
357.24109	0.6
369.06128	1.5
386.23782	1.1
411.07239	1.3
460.27695	1.9
477.28220	1.7
478.28619	1.9
585.28802	0.8
675.37390	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.01872	8.2
55.05506	20.1
57.03434	5.7
61.02921	4.9
62.93053	1.3
65.03951	1.6
67.05503	34.0
69.03417	5.2
69.07069	9.7
71.04984	5.0
73.02895	1.7
79.05491	31.8
81.03424	12.4
81.07060	35.4
83.01341	1.8
83.04990	9.7
83.08629	15.7
84.20264	1.4
85.02893	7.1
85.06549	3.1
86.09690	1.7
91.03960	2.1
91.05478	24.8
93.06477	2.5
93.07040	27.0
95.04968	16.6
95.08608	13.4
97.02912	4.5
97.06541	6.6
97.07082	1.7
97.10162	14.7
105.07024	20.0
107.04963	8.1
107.08599	23.5
109.02917	1.8
109.06532	4.5
109.10161	14.9
111.04449	9.1
111.08083	5.5
115.05450	1.9
117.07014	10.4
119.08566	9.3
121.06516	5.9
121.10138	8.4
122.62592	1.4
123.04450	2.1
123.08077	4.0
123.11706	3.6
125.09628	9.0
128.06161	2.8
129.06996	5.6
130.07790	1.6
131.08568	13.9
133.06425	2.4
133.10129	16.2
135.08049	4.2
135.11699	10.3
137.09607	1.9
143.08575	5.1
145.06499	4.7
145.10106	9.0
147.04507	1.6
147.08026	3.5
147.11661	5.1
149.09627	4.0
149.13297	4.2
151.11186	6.4
153.12750	5.1
155.08540	3.0
157.06516	2.2
157.10115	3.0
159.08089	3.2
159.11723	3.8
161.05916	2.2
161.09679	2.2
163.11191	10.7
169.10207	2.6
171.11758	2.7
173.09677	4.7
175.11186	2.4
177.12801	2.2
181.10225	1.7
181.12207	3.0
183.11609	1.7
184.07300	3.6
185.09547	1.8
185.13173	2.2
189.09731	1.5
189.11279	5.9
191.10707	2.6
193.12271	4.7
195.11810	2.2
195.13808	1.9
197.13217	3.3
199.11224	1.6
205.12251	1.5
205.15933	2.4
207.13860	1.9
209.11639	2.0
215.14343	3.8
217.12225	1.4
227.12764	6.4
233.15363	5.4
255.13719	1.6
267.15970	3.0
269.17606	7.4
273.15051	2.2
283.15433	9.9
285.17090	2.7
287.16348	2.1
339.23190	3.6
349.21762	1.8
357.24252	4.4
367.22626	14.3
385.23755	36.8
403.24811	7.9
431.28027	2.3
441.26340	3.4
459.27417	100.0
460.27786	5.7
477.28485	92.5
478.28815	4.3
495.29590	10.0
662.34692	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08215	1.2
50.21785	1.0
55.01864	4.6
55.05505	13.1
57.03439	7.2
57.07071	1.3
61.02913	3.2
65.03936	1.6
67.05503	29.1
69.07070	8.9
69.37597	1.2
69.79779	8.0
71.04968	3.7
75.60126	1.3
79.05491	24.8
81.03429	6.8
81.06579	2.5
81.07055	39.6
83.01334	5.2
83.04976	7.8
83.08614	10.5
85.02905	4.8
85.06529	1.4
86.30620	1.2
88.98994	1.1
91.05484	17.0
93.07043	31.9
93.34527	1.1
95.04951	8.2
95.08601	9.8
97.02852	2.4
97.06539	6.3
98.21471	2.5
102.09182	1.5
103.05426	1.4
105.07025	6.8
107.04945	6.9
107.08596	17.8
109.06515	5.2
109.10138	1.9
111.08068	3.9
117.07032	8.7
119.08578	5.4
120.15850	1.1
120.80839	1.2
121.06493	2.7
121.10136	8.4
123.08077	5.2
125.43681	1.1
129.07082	1.2
130.07788	1.6
131.08591	4.9
133.10150	3.5
135.11685	9.6
145.06421	1.6
145.10139	8.7
147.22420	1.3
149.02365	3.6
149.09583	1.6
149.13258	11.3
153.12764	1.3
159.11699	4.8
163.11183	15.4
173.09604	1.4
177.12790	2.4
181.12141	1.4
191.10583	2.0
193.04953	1.9
195.13847	6.6
209.11771	3.8
227.12839	2.7
228.23250	2.8
265.14279	1.6
269.17471	39.4
283.15375	46.8
459.27283	2.5
477.28482	100.0
478.28741	3.5
674.34967	6.4
695.18622	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	7.9
55.05509	18.8
57.03434	11.0
60.08171	3.4
61.02914	5.0
65.03941	3.9
67.05504	46.7
69.03428	6.7
69.07063	11.0
69.97455	9.9
71.04980	5.8
71.07356	3.1
73.02908	2.6
76.59591	2.0
78.70136	2.5
79.05489	36.7
79.15118	2.2
81.03419	16.2
81.07060	42.3
83.04976	13.1
83.08620	12.9
84.08943	2.1
85.02915	9.5
85.06532	4.2
86.09708	22.5
91.03957	4.2
91.05476	29.4
93.07035	32.3
95.04956	21.2
95.08603	17.5
97.02899	5.7
97.06546	7.9
97.10160	13.1
98.98435	3.5
99.04465	2.9
105.07024	22.8
107.04949	7.8
107.08596	23.8
107.56440	2.3
109.02875	3.1
109.06530	4.3
109.10143	13.0
111.04435	8.6
111.08072	7.2
112.08521	2.2
117.07001	12.1
119.08546	14.1
121.06514	9.0
121.10126	14.1
123.08051	6.2
123.11646	3.7
124.99978	13.5
125.09637	10.3
127.19225	2.4
129.06985	6.7
131.08572	14.0
133.06479	2.9
133.10143	23.5
135.08069	5.5
135.11696	10.5
137.09604	3.6
143.08554	4.5
145.06473	6.6
145.10132	8.9
147.08060	7.1
147.11671	3.8
149.09619	3.6
149.13225	3.5
151.11200	5.2
153.09172	2.7
153.12776	5.4
157.10124	5.2
159.08028	4.3
159.11691	5.7
161.05904	2.2
161.09610	2.6
163.11198	12.0
173.09602	3.4
181.12318	4.5
184.07332	51.3
185.67314	2.1
187.14851	3.5
189.11243	6.1
191.10670	4.2
193.12283	7.6
207.13899	4.0
211.13179	3.2
215.14346	4.8
221.53862	2.4
227.12764	6.5
233.15482	3.8
267.16071	2.6
269.17453	8.9
283.15396	11.6
290.13498	2.5
292.74036	2.3
313.55704	2.5
349.21881	3.6
357.24158	5.6
367.22546	13.2
385.23752	34.8
403.24817	7.6
459.27377	98.3
474.44440	2.3
477.28458	100.0
478.28436	3.2
494.28262	2.7
495.29047	8.9
639.33636	2.9
646.76935	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.4
55.01860	6.8
55.05513	21.5
57.03432	6.3
57.07056	3.5
65.03928	5.7
67.05501	81.9
69.03419	29.8
69.07063	26.3
71.04977	6.1
79.05490	62.6
81.03419	32.3
81.06585	5.4
81.07056	100.0
83.04985	12.3
83.08614	15.3
85.02898	6.6
91.05478	62.2
91.06013	2.3
93.07040	65.9
95.04961	21.2
95.08601	42.4
97.02870	7.7
97.06528	9.1
97.10168	7.5
98.21525	6.2
99.04455	2.6
103.05501	4.6
105.07027	40.4
107.04947	7.0
107.08593	31.7
109.02851	7.0
109.06496	9.5
109.10145	16.5
111.04454	6.3
111.08057	4.6
115.05412	3.2
117.06209	3.2
117.07003	25.3
119.08581	26.4
121.06483	6.0
121.10139	26.8
123.08060	4.4
123.11729	6.8
127.03944	4.6
129.07011	11.3
131.08560	28.3
133.06514	6.2
133.10123	24.3
135.08083	5.0
135.11699	17.7
141.06970	6.0
142.07814	3.1
143.08553	11.2
145.10106	15.6
147.07965	4.1
147.11697	15.9
149.09618	5.0
149.13264	17.3
155.08524	10.0
157.06415	3.4
157.10115	10.9
159.08043	3.9
159.11690	16.3
161.09657	5.4
161.13206	5.5
163.11137	4.5
165.12738	2.9
169.10060	3.6
171.08066	2.9
171.11699	6.6
173.13205	4.6
175.11188	4.4
177.12787	6.8
185.13255	4.1
187.14792	3.6
189.12848	3.1
195.11916	2.3
195.13768	13.3
197.13229	3.4
199.14775	3.8
201.12773	3.6
209.13234	3.6
213.14775	3.1
229.57993	4.5
261.22208	4.6
264.07922	3.2
269.17404	17.5
273.22278	3.6
301.21643	7.0
315.23010	4.0
327.23264	3.7
335.25815	5.4
339.18066	3.7
341.24716	3.1
351.23111	6.3
369.24246	10.1
371.25842	2.7
387.25369	6.4
443.27667	3.1
461.28900	6.2
637.40302	7.4
655.41443	5.9
673.42969	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	674.374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.4
55.05515	11.4
57.03435	10.2
57.07073	1.5
58.54086	0.8
59.04990	2.1
61.02919	3.6
67.05502	21.1
68.47956	0.9
69.07074	5.9
71.04986	3.3
73.02933	1.5
79.05492	20.9
80.15073	0.8
81.03421	10.4
81.07054	32.4
83.01328	5.4
83.04971	7.5
83.08623	12.3
85.02903	4.8
85.06550	1.5
91.03949	2.1
91.05485	14.0
93.07041	25.6
95.04975	6.5
95.08617	10.1
97.02891	2.8
97.06535	5.6
97.10152	1.6
99.04456	1.4
105.07029	7.5
107.04966	4.4
107.08588	16.9
109.06509	4.4
109.10163	2.4
111.04450	1.4
111.08086	3.5
117.07058	6.5
119.08575	5.8
121.06493	3.3
121.10137	6.5
123.08062	5.0
123.11700	1.6
123.66437	0.8
129.07004	1.8
131.08595	5.6
132.54959	0.7
133.10139	6.4
135.08067	1.3
135.11705	10.2
145.06459	1.0
145.10109	9.5
147.08025	1.7
147.11708	1.3
149.02496	0.8
149.09631	0.9
149.13272	6.7
151.11205	1.1
153.12755	1.4
155.08566	1.4
159.11642	4.8
163.11177	13.2
173.09593	1.1
177.12804	1.6
181.12238	2.4
191.10675	0.9
193.12314	0.9
195.13799	5.6
195.94057	0.9
209.11754	3.4
211.13383	1.0
213.14809	1.6
227.12709	2.9
267.15912	6.0
269.17474	32.6
283.15387	60.1
284.15573	1.2
285.17056	1.4
459.27426	3.6
477.28455	100.0
478.28595	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	673.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.2
55.01861	7.6
55.05514	25.4
57.03438	6.5
59.14391	2.9
60.79376	3.3
65.03943	6.7
67.05505	87.1
69.03429	49.0
69.03774	5.7
69.07066	26.9
69.90471	11.5
69.90905	8.4
71.04989	5.9
79.05492	67.3
81.03419	24.0
81.07059	100.0
83.04980	12.6
83.08631	18.3
85.02902	5.0
89.06013	3.8
91.05484	62.8
93.07044	75.1
95.04977	29.4
95.08605	52.0
97.02879	4.2
97.06530	10.5
97.10204	4.6
99.04459	4.8
103.05486	3.3
105.07037	40.3
107.04967	9.0
107.08591	52.1
109.02884	6.4
109.06532	8.9
109.10161	17.5
111.04458	7.7
117.07029	22.9
119.08587	33.1
121.06541	5.2
121.10132	23.3
122.60161	3.1
123.08024	5.0
123.11724	6.3
129.07021	16.7
131.08572	31.3
133.06474	4.1
133.10123	20.1
135.08061	6.3
135.11668	17.8
141.06969	4.3
143.08568	13.7
145.06485	3.8
145.10120	17.7
147.08093	4.4
147.11707	16.4
149.13275	20.6
155.08542	9.3
157.10094	11.2
159.11700	22.7
161.09566	3.5
161.13243	5.5
167.08565	4.5
171.08034	3.5
171.11745	8.7
173.13316	9.1
175.11237	6.1
175.14771	4.5
177.12720	4.8
183.11731	8.5
185.13254	4.9
195.13869	12.8
197.13342	5.0
199.14764	4.0
221.11421	3.9
223.14772	3.9
227.12532	4.4
257.80832	3.2
259.20502	6.6
269.17465	17.9
277.21667	4.7
301.21765	6.7
341.96323	3.9
351.23331	4.3
369.24283	14.2
387.25296	8.6
395.21198	3.5
405.26181	4.4
461.28732	7.7
532.50977	4.3
557.83228	3.6
603.35565	3.9
637.40869	4.3
655.41455	4.2
673.42792	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35735	2.3
53.03938	5.7
55.01870	15.7
55.05268	2.3
55.05510	30.9
57.03198	2.4
57.03443	32.1
57.07058	6.4
59.04986	2.3
61.02914	3.3
65.03918	7.4
65.87959	1.9
67.05502	83.7
69.03432	33.2
69.07069	11.7
69.94028	4.4
69.94444	8.7
71.01320	2.4
71.05000	9.8
72.08090	1.8
73.02921	27.1
79.05489	43.1
81.03418	86.1
81.07063	42.8
83.04980	31.9
83.08617	32.5
84.08118	2.1
85.02432	3.5
85.02905	45.5
85.06522	7.6
87.04469	2.3
87.85945	1.9
91.05482	42.0
93.07034	29.8
95.04968	34.9
95.08601	16.3
97.02897	25.1
97.06538	12.9
97.10156	7.9
98.20838	3.4
99.04470	6.5
101.02366	4.2
103.03947	3.0
105.07022	28.1
107.04281	2.9
107.04955	26.7
107.08602	15.2
109.02870	10.7
109.06527	9.5
109.10152	57.4
111.04458	15.3
111.08077	13.8
113.05986	3.0
116.04752	2.0
117.05441	2.1
117.07013	4.3
119.08585	27.3
121.06487	4.5
121.10144	14.3
123.04456	2.8
123.08064	7.8
123.11699	3.4
125.09610	8.1
127.03902	11.2
127.11170	3.8
129.05473	12.3
129.06981	12.5
131.03363	4.4
131.08580	15.4
133.06512	4.5
133.10149	12.8
135.04436	13.1
135.08080	3.8
137.05943	4.6
137.09587	6.7
139.03812	2.6
141.09163	2.0
142.07724	2.6
143.07010	4.6
143.62309	2.3
145.06569	2.1
145.10089	5.7
147.08037	4.7
147.11685	21.7
149.09598	8.2
149.13208	2.1
151.03905	2.3
153.01851	3.3
153.05455	4.0
153.12718	2.9
155.08554	2.4
155.10669	2.7
157.08717	4.5
157.10112	14.9
163.11185	9.5
165.12740	3.9
167.06892	2.9
173.09537	2.0
173.11729	18.3
174.06660	2.5
175.11188	16.5
181.05002	3.2
185.11726	2.9
189.09154	2.8
189.11116	3.2
191.10709	3.7
193.12251	40.9
201.09045	2.1
209.11737	2.6
211.13287	57.4
217.07071	5.7
219.10072	10.8
227.12776	7.3
229.14363	49.3
249.15089	2.1
253.90056	2.2
267.15955	20.8
283.15421	5.2
285.16977	29.6
295.56805	2.5
301.16489	5.2
313.06610	2.0
339.17963	5.0
403.25165	2.4
421.25714	14.4
439.26941	100.0
459.27426	3.6
477.28406	3.8
493.28049	6.1
501.23032	2.5
511.28638	3.0
606.83099	2.5
673.34009	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24862	4.9
51.19158	5.0
52.06627	5.0
70.52781	5.4
71.57854	5.5
71.58267	6.4
81.22313	4.8
126.04282	5.9
148.06018	5.2
239.70421	5.5
431.18594	9.4
433.24249	11.3
445.19641	7.5
459.21655	36.3
460.22202	13.1
461.23129	7.6
519.23969	6.9
547.26831	44.5
606.28387	58.7
607.29150	100.0
613.28949	10.0
631.29987	7.7
641.27814	8.5
644.26740	17.0
645.31769	10.0
673.31580	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00265	1.0
54.24587	1.1
55.05493	4.8
57.03440	5.4
57.07072	37.1
61.02922	13.7
62.34290	1.0
65.84961	1.1
67.05506	13.1
69.03428	2.6
69.07060	8.3
69.53374	7.8
71.08627	30.7
73.02904	4.7
75.04459	1.4
79.05475	2.2
81.03419	1.6
81.07051	16.5
83.08604	11.0
85.02908	13.4
85.10179	17.0
89.06055	1.7
91.03943	11.7
91.05473	2.4
93.07034	2.8
94.00989	1.1
95.08604	23.2
97.02878	7.0
97.10155	5.9
98.21501	1.3
99.11683	1.6
105.06994	1.4
107.08600	2.0
108.20419	1.2
109.10143	12.3
123.11701	5.2
127.03909	4.5
137.13252	2.2
145.04924	7.6
163.05963	8.8
172.06508	1.2
184.07361	1.6
221.22673	2.2
239.23680	26.6
257.24780	3.8
290.16763	1.2
290.20007	1.2
313.27332	100.0
314.27869	1.5
331.28387	23.0
373.97531	1.1
424.28906	1.4
475.32632	2.5
510.60071	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99989	1.4
52.91717	1.4
53.03943	2.7
55.01841	1.4
55.05513	7.7
55.76472	1.1
57.03419	5.0
64.02248	1.2
65.03917	2.2
67.05505	32.1
69.07064	10.8
69.35471	12.4
71.04995	1.9
73.06586	1.5
79.05491	35.2
81.03400	3.9
81.06587	2.4
81.07056	40.7
83.04975	8.8
83.08630	7.1
85.02872	1.9
85.06559	2.7
91.05479	28.0
93.07042	44.9
95.04963	10.6
95.08595	12.8
97.06503	4.5
97.10192	2.3
105.07025	16.2
107.04978	1.9
107.08595	17.5
109.06519	3.4
109.10136	2.8
111.08062	2.8
117.06996	4.1
119.08575	12.2
121.06512	2.0
121.10150	7.1
123.08057	3.1
129.07024	6.3
131.08562	4.3
133.10118	6.7
135.11687	3.3
143.08586	3.6
145.10135	4.2
147.11691	14.4
149.13283	9.9
159.11700	3.9
161.09624	1.3
161.13235	4.0
163.11066	1.5
171.11688	10.4
177.12708	2.6
189.12758	3.4
195.13820	3.6
198.75137	1.2
207.13747	10.4
225.14735	1.8
269.17487	25.8
281.17450	24.2
475.30542	100.0
476.30832	2.9
602.17389	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95023	3.8
51.92356	4.3
53.03941	12.1
55.01855	12.3
55.05512	35.2
57.03419	17.0
59.18401	4.5
65.03937	6.2
67.05177	7.5
67.05505	100.0
69.03437	21.5
69.07080	29.1
70.67006	14.2
71.04973	11.6
72.52872	4.0
79.05491	86.0
81.03415	51.9
81.06591	7.0
81.07051	93.6
83.04961	11.7
83.08606	18.8
85.02906	7.0
85.06525	6.1
90.32751	4.9
91.05479	87.6
93.07040	76.1
95.04975	61.1
95.08601	38.4
97.02872	8.0
97.06512	6.7
97.10152	12.7
99.04453	7.7
103.05457	5.2
105.07037	63.6
107.04953	24.6
107.08586	42.8
109.02869	9.0
109.06506	14.8
109.10137	18.3
111.04442	7.8
115.05463	9.7
117.07006	37.6
119.04923	4.5
119.08578	46.8
121.06527	13.6
121.10173	22.6
122.75304	4.5
123.04403	5.1
123.08038	12.3
123.11693	5.4
125.02422	5.3
125.09647	6.0
128.06178	8.8
129.06963	28.8
131.04921	12.5
131.08586	38.4
133.06477	15.4
133.10121	26.8
135.08060	10.5
135.11684	12.5
135.99300	4.1
136.75076	4.2
137.09589	5.8
141.06967	10.4
143.08525	16.9
145.06487	15.0
145.10135	31.1
147.04309	6.2
147.08075	10.7
147.11694	22.1
149.06015	4.8
149.09557	7.8
149.13228	5.1
155.08507	12.7
157.06459	8.7
157.10106	14.0
159.08043	8.5
159.11668	15.3
161.05998	12.2
161.09618	14.7
161.13260	9.1
163.11142	18.8
163.12411	4.3
167.08603	8.6
169.10109	16.2
171.08041	8.6
171.11681	15.2
173.05980	6.9
173.13307	12.5
175.11176	5.2
179.08531	6.2
181.10120	10.4
183.08086	6.0
183.11659	10.0
185.09602	8.0
185.13226	9.9
187.07478	5.9
187.11124	6.0
189.05432	8.1
189.12773	5.5
191.10417	4.6
195.11691	7.3
196.71143	4.9
197.13293	6.4
199.11246	4.8
199.14738	5.3
209.13232	6.8
211.14879	6.2
213.12715	7.2
221.13226	6.8
235.11151	6.5
259.37851	4.8
269.17496	6.1
271.13300	6.1
273.14758	30.0
301.14337	14.0
303.15891	15.2
319.15353	10.0
335.25558	14.9
351.23077	6.5
367.22537	7.3
369.23929	7.2
393.19144	5.5
441.26529	5.1
543.35114	5.9
617.37445	8.2
635.39459	32.7
653.40790	24.7
671.41730	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	671.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	12.4
55.01880	13.6
55.05509	39.5
57.03431	10.5
57.07076	2.5
58.74769	2.8
60.58877	2.5
62.99923	2.4
65.03949	13.5
67.05504	100.0
68.99785	2.8
69.03433	14.4
69.07061	27.5
69.28094	9.2
69.28515	20.8
71.04986	6.8
76.56530	2.6
79.05493	85.3
81.02984	5.0
81.03421	73.0
81.06586	4.5
81.07058	82.8
83.04980	10.2
83.08601	18.0
85.02875	6.3
85.06549	3.3
91.05478	76.4
91.06021	5.8
93.07042	78.3
95.01305	5.1
95.04965	94.5
95.08614	55.3
97.02893	4.8
97.06499	6.7
97.10162	17.6
103.05465	4.1
105.07030	68.0
107.04952	29.2
107.08589	43.7
109.02845	7.4
109.06515	16.8
109.10156	21.1
110.85295	2.8
111.04439	13.8
111.08078	6.2
113.06026	2.9
115.05467	10.0
117.07004	29.1
119.04969	7.3
119.08579	39.7
121.02074	2.8
121.02875	9.5
121.06516	24.4
121.10150	29.6
123.04425	7.8
123.08070	10.2
123.11714	4.3
125.09637	17.3
127.03857	4.0
128.06223	5.9
129.06985	24.9
131.04890	14.5
131.08580	31.5
133.06474	12.7
133.10127	27.4
135.04449	3.7
135.08040	14.2
135.11716	16.3
137.05960	6.0
137.09526	4.8
141.06989	11.2
142.07835	3.8
143.08577	18.6
145.06483	20.6
145.10112	27.7
147.04422	14.0
147.08052	14.3
147.11685	18.0
149.05991	9.0
149.09615	11.1
149.13344	6.4
153.06996	6.3
153.09148	2.9
155.08562	12.6
157.06483	9.9
157.10080	18.3
159.08034	11.1
159.11684	17.8
160.05203	3.6
161.05975	10.0
161.09589	11.1
161.13240	5.8
163.11168	13.0
165.07034	5.1
167.08562	9.6
169.10120	9.3
171.08043	10.8
171.11665	14.0
173.06007	8.3
173.09589	8.2
173.13307	7.6
174.06767	8.6
175.07579	6.6
175.11185	7.6
175.14919	3.5
177.12755	3.9
179.08575	9.8
181.10109	10.0
183.08020	4.5
183.11739	8.9
184.08778	3.5
185.09566	6.4
185.13261	8.9
187.07535	7.5
187.11191	5.9
187.14766	3.5
189.05481	9.6
189.09099	4.0
189.11223	4.9
189.12787	4.7
192.09355	3.9
193.10190	6.2
193.12286	5.5
195.08134	3.5
195.11758	6.9
197.09607	8.1
197.13292	6.8
199.11179	5.3
201.12752	3.8
205.12251	6.1
207.11755	5.2
209.09715	6.4
209.11485	3.4
209.13332	6.1
211.11212	5.5
213.12752	3.1
215.14488	3.3
223.01355	2.9
223.11325	4.2
223.13199	5.3
225.12828	3.9
233.15446	3.2
237.12782	5.5
239.14320	4.3
241.19598	4.0
245.13312	3.4
245.15526	3.2
255.13785	7.1
257.15268	5.1
259.20618	9.8
261.22076	4.4
267.15784	5.2
271.12976	4.0
273.14871	31.3
283.13138	5.2
285.14789	6.7
289.14264	5.3
301.14301	27.4
303.15894	18.6
306.48160	3.0
315.19476	3.4
319.15375	17.0
333.24265	8.1
335.25800	26.8
337.16409	3.4
339.23007	4.5
347.18112	4.0
351.23163	5.2
375.18011	9.7
375.22614	3.7
391.26282	3.4
393.18991	9.7
395.20309	3.3
447.63910	3.8
460.49017	2.9
515.35040	4.1
525.33716	4.8
530.38770	11.7
543.34845	3.9
555.34564	3.1
561.36145	3.7
581.37708	5.1
607.40021	4.1
617.37964	8.0
623.39301	11.2
635.39209	38.3
653.40271	22.8
671.41418	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00978	2.5
53.03945	13.5
54.85455	2.4
55.01863	10.8
55.05508	42.8
56.45353	2.0
57.03431	14.5
57.07081	3.8
64.22456	2.0
65.03938	6.7
67.05502	100.0
69.03426	17.0
69.07067	27.5
69.67220	14.5
71.04986	8.1
79.05491	96.0
79.53865	2.2
81.03417	84.4
81.07052	97.8
82.07404	3.4
83.04977	19.9
83.08622	25.1
85.02917	16.2
85.06532	5.2
91.05481	88.2
93.07040	77.9
95.04963	55.7
95.08605	54.3
97.02875	13.2
97.06526	10.5
97.10172	12.0
98.21431	5.0
99.04449	4.4
99.08110	2.8
102.04590	2.7
103.05479	4.0
105.07026	69.4
107.04961	22.7
107.08592	36.4
109.02893	15.3
109.06515	12.9
109.10146	20.4
111.04438	10.4
111.08083	7.8
115.03895	3.4
115.05489	8.9
116.06245	2.7
117.07013	33.5
119.04971	4.0
119.08572	47.9
121.02829	2.8
121.06498	11.1
121.10146	34.7
123.04446	8.2
123.08051	6.5
123.11700	7.1
125.02337	7.0
125.09644	7.2
127.03909	10.1
128.06230	11.0
129.06990	30.3
130.07782	3.7
131.04904	6.8
131.08560	42.6
133.06477	10.4
133.10138	31.6
135.04398	3.2
135.08081	7.3
135.11665	20.7
137.05994	4.6
141.06946	11.7
142.07780	6.9
143.08554	18.8
145.06525	12.8
145.10127	27.6
147.04472	3.7
147.08073	9.3
147.11699	28.2
149.05977	7.5
149.09621	7.4
149.13260	7.4
151.11214	2.9
152.52373	2.5
153.12758	2.6
154.07768	3.5
155.08543	14.7
156.09348	2.7
157.06464	6.0
157.10121	21.3
159.08096	7.6
159.11696	18.5
161.06004	6.4
161.09642	6.9
161.13271	7.3
163.11238	5.7
165.12755	4.6
167.08601	5.8
169.10123	10.5
171.08046	5.6
171.11717	11.2
173.06029	3.2
173.09679	8.5
173.13269	10.7
174.06808	3.7
175.11217	14.1
175.14853	2.7
176.50117	2.3
177.09253	2.9
177.12686	3.4
179.08508	2.8
181.10115	8.1
181.12254	3.2
183.08075	4.7
183.11694	6.6
185.09628	4.1
185.13284	4.4
187.07634	4.1
187.11188	4.7
187.14793	5.8
189.05547	3.3
189.11232	3.7
189.12782	3.0
191.10703	2.9
193.10303	4.5
193.12270	24.7
195.11734	5.7
197.09608	4.3
197.13283	7.9
199.11188	4.4
199.14864	3.3
201.12793	5.7
203.10802	3.3
205.12314	2.6
207.11676	6.6
209.09427	2.8
209.13251	7.0
211.11369	5.2
211.13286	15.6
211.14920	2.7
213.12723	4.8
215.14352	3.9
221.13202	3.3
223.11224	4.5
225.12746	2.9
243.13841	3.2
249.14810	4.9
259.20602	6.1
261.22177	7.6
267.15964	23.1
273.14893	10.9
285.17276	2.9
301.14304	7.8
319.15488	8.8
325.21756	2.6
327.23227	2.7
335.25879	30.0
339.23120	3.2
341.24930	4.8
351.23245	11.4
353.25125	3.8
359.67377	2.6
369.24258	18.5
375.17908	2.8
387.25317	3.4
443.28198	3.5
527.37665	11.7
530.39209	13.7
545.38141	10.3
607.39508	2.7
623.39307	3.8
635.39154	11.9
641.39630	3.1
653.40295	27.7
671.41644	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.6
55.01872	6.1
55.05512	19.3
55.61972	3.8
57.03431	7.8
58.89068	3.1
65.03924	5.1
66.44402	3.0
67.05173	5.1
67.05507	66.1
69.03407	4.1
69.07072	17.8
71.58240	5.2
79.05499	34.0
81.03420	56.7
81.07052	61.1
82.03751	5.2
83.04983	8.2
83.08617	14.6
84.70628	3.4
85.06522	5.7
91.05482	46.5
92.05828	4.1
93.07050	36.7
95.04981	32.3
95.08604	35.0
97.02900	6.9
97.10181	9.2
98.22815	3.4
101.96817	3.3
105.07030	34.8
107.04969	8.6
107.08612	18.2
109.02939	7.1
109.06502	3.8
109.10155	13.5
111.04433	4.5
111.08088	5.1
115.05477	4.6
117.07028	12.4
119.04940	3.3
119.08584	20.6
121.06583	7.2
121.10153	13.1
123.08036	4.1
123.11742	5.2
129.07008	10.7
131.08553	18.0
133.06512	5.9
133.10149	13.2
135.11694	8.3
137.06075	4.6
141.06972	4.0
143.08537	8.2
145.06474	4.7
145.10127	9.7
147.08052	4.6
147.11687	11.8
149.09621	9.2
149.13271	4.2
150.89171	3.1
155.08693	3.8
157.06473	3.9
157.10211	10.5
159.11812	4.2
169.10109	6.3
169.19711	3.5
171.11749	3.5
173.13312	8.4
175.11192	5.6
193.12262	13.6
194.12602	5.1
197.13229	4.3
198.14299	4.1
206.06839	3.4
209.13182	4.9
211.13286	10.0
213.12874	3.6
237.16797	4.7
265.84073	3.9
267.15939	10.0
273.14935	4.6
301.14560	4.6
319.15417	5.6
335.25897	11.0
351.23196	4.5
369.24164	10.9
377.25433	3.7
434.05054	3.6
435.29904	3.4
443.27957	4.5
529.38922	6.9
530.31146	5.7
530.39221	100.0
635.38947	5.5
653.40100	12.4
671.41516	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	671.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	14.3
55.01860	14.1
55.05515	51.3
57.03429	17.9
64.79069	4.6
65.03938	5.6
67.05505	63.4
69.03419	19.1
69.07066	20.3
71.04986	20.8
71.58193	7.7
79.05495	59.8
81.03417	96.6
81.06596	4.8
81.07060	61.8
83.04981	39.0
83.08613	29.8
85.02898	19.5
91.05481	52.4
93.07044	50.3
95.04977	46.3
95.08604	28.4
95.26171	3.9
97.02879	15.7
97.06536	18.0
97.10185	37.1
99.04434	8.0
103.05448	6.1
105.07034	33.7
107.04958	33.7
107.08601	37.7
107.84559	4.3
109.02885	10.1
109.06531	23.6
109.10172	23.0
111.04417	15.5
111.08055	12.4
115.05472	4.6
117.07001	13.0
119.08590	34.6
121.06487	19.5
121.10167	24.4
123.08074	11.9
123.11740	6.8
125.09617	31.2
127.03871	10.0
129.06982	11.3
131.04916	17.6
131.08589	22.8
133.06491	8.3
133.10126	19.9
135.08067	16.6
135.11658	5.3
137.05974	11.7
137.09653	7.4
139.07529	4.8
141.06989	9.3
143.08546	12.1
145.06476	13.5
145.10085	12.1
147.08022	5.3
147.11693	11.9
149.09616	12.7
151.07497	5.1
151.11162	6.8
153.09134	7.3
155.08585	6.6
157.10139	14.3
159.08015	7.5
159.11620	6.7
161.09581	6.2
163.11191	10.2
167.06999	4.4
167.78598	4.5
171.11728	6.1
173.04546	9.5
173.09605	8.1
175.11212	15.7
181.04774	4.9
181.12189	5.1
187.11218	7.9
189.11177	14.6
189.12791	5.7
192.52382	4.7
193.12247	29.7
195.11635	4.1
201.12711	5.3
205.12334	3.9
211.13261	19.0
213.12773	5.6
215.14467	6.6
219.13875	6.5
225.14856	8.5
227.12816	18.0
233.15414	12.9
237.14822	5.0
238.11081	4.7
241.12007	5.0
267.15948	45.3
273.14777	6.6
285.88599	4.3
301.36194	4.5
313.11221	4.1
349.21704	8.2
367.22708	33.9
385.23743	43.3
403.24716	21.4
441.26065	9.8
459.27444	100.0
460.27271	5.2
477.28458	98.1
491.30579	20.7
509.31076	16.7
592.62079	4.8
621.32349	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	671.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	15.6
55.01871	11.8
55.05511	53.9
57.03431	10.8
57.07070	4.0
59.76416	3.6
65.03931	11.0
67.05133	5.2
67.05502	90.1
69.03407	13.2
69.07060	25.5
71.04989	7.1
79.05489	83.1
81.03409	71.7
81.07054	87.5
83.04969	14.3
83.08621	19.8
85.02902	10.0
85.06545	4.3
90.49284	3.3
91.05481	91.4
93.07040	78.8
95.01334	3.9
95.04966	100.0
95.08606	56.3
97.02891	12.2
97.06532	7.9
97.10171	17.1
99.04399	5.1
103.05465	6.6
104.40714	3.4
105.04498	4.2
105.07027	69.4
105.07691	6.3
107.04952	27.1
107.08588	41.1
109.02867	6.9
109.06497	9.3
109.10147	23.7
111.04435	14.8
115.05476	12.0
117.07018	36.4
119.04941	7.7
119.08577	41.6
121.02857	16.2
121.06492	20.0
121.10153	24.5
123.04439	12.4
123.08056	10.0
123.11698	4.5
125.03959	3.4
125.09627	11.5
128.06239	6.3
129.06993	34.9
130.07779	4.9
131.04950	15.6
131.08551	32.2
133.06503	18.5
133.10146	23.2
135.04466	6.0
135.08067	16.0
135.11676	13.8
137.05943	5.0
137.09584	7.1
141.07007	9.4
143.08565	26.9
145.06509	20.5
145.10152	23.9
147.04395	16.9
147.08035	12.6
147.11618	17.8
149.05989	7.6
149.09613	8.6
155.08540	15.4
157.06546	6.7
157.10159	13.6
159.08069	12.1
159.11707	17.0
161.05980	14.8
161.09628	11.3
161.13240	8.2
163.07611	4.4
163.11191	16.1
167.08537	8.7
169.10213	10.9
171.08052	7.7
171.11647	7.6
172.23328	3.9
173.05984	11.5
173.09573	8.9
173.13283	5.0
174.06808	11.3
175.07550	6.6
175.11139	7.4
177.12749	7.1
178.07957	4.5
179.08582	5.7
181.06387	3.6
181.10112	7.0
183.08051	9.9
183.11736	12.9
185.13310	8.9
187.07579	8.6
187.11253	6.6
187.14827	3.9
189.05484	14.6
189.11179	6.5
193.10155	5.5
193.12164	5.3
195.08159	4.3
195.11736	7.9
197.09653	7.3
199.14769	6.0
205.12210	10.9
209.13232	7.5
211.07445	4.9
211.11137	5.4
221.13277	4.2
225.12866	4.3
227.12650	5.2
231.13837	5.4
237.12727	6.0
255.13931	9.0
257.15427	6.4
259.13412	4.0
259.20413	8.2
261.22198	4.8
273.14847	42.9
277.14865	3.7
283.13345	4.5
285.14813	9.4
288.08368	4.5
289.14267	7.8
301.14319	43.2
303.15875	22.3
309.22531	3.7
319.15338	19.8
333.24228	6.8
335.19589	3.8
335.25995	24.4
347.18677	9.9
351.23132	6.0
375.17844	10.3
381.20294	5.4
393.19193	5.3
543.34119	4.7
561.35858	6.3
617.37964	12.8
623.39136	15.7
635.39288	42.2
653.40442	24.5
671.41473	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	19.1
55.01869	31.0
55.05508	55.2
57.03434	25.6
57.07063	14.8
59.04995	8.0
59.66662	4.6
61.02900	5.6
67.05502	100.0
69.03429	52.6
69.07069	19.6
70.79738	3.8
71.01338	6.0
71.04983	15.6
71.58205	7.6
73.02916	19.8
79.05067	6.5
79.05489	76.1
81.03420	90.8
81.06593	5.8
81.07049	72.8
83.04993	36.8
83.08619	21.9
85.02895	32.8
85.06525	5.1
91.05473	57.4
93.07037	46.9
95.04967	42.6
95.08597	37.3
97.02879	44.9
97.06521	15.4
97.10165	29.6
98.07271	5.4
99.04449	13.3
103.95359	4.1
105.07040	27.4
107.04965	21.0
107.08592	44.2
109.02869	20.8
109.06510	13.9
109.10148	56.0
111.04438	14.2
111.08086	9.9
113.06010	4.5
115.03924	5.8
116.04731	4.6
117.07014	14.2
119.08565	29.1
121.06454	4.7
121.10136	22.4
123.04406	9.1
123.08056	5.1
123.11724	9.1
125.09635	35.5
127.03895	16.8
127.11233	10.4
128.06277	4.8
129.05501	12.2
129.07008	13.0
131.08540	18.6
133.10118	21.8
135.04390	11.3
135.08069	7.9
135.11687	18.5
136.44759	4.3
137.05969	6.4
137.09579	4.8
143.03412	3.9
143.07048	5.5
143.08525	7.7
143.10683	5.4
145.06505	5.1
145.10103	18.6
147.08029	10.6
147.11687	11.1
149.09558	9.4
153.01733	6.0
153.12669	5.7
155.08487	4.4
155.10629	5.0
157.08730	5.5
157.10118	10.9
161.09612	5.4
163.11131	14.5
165.09169	5.5
165.12840	6.5
166.91795	5.2
167.07037	5.6
171.06531	7.7
173.04468	7.7
173.11719	19.4
175.11201	9.1
177.03969	4.4
181.10295	3.6
181.12224	7.0
185.08134	4.7
189.11185	8.5
191.10609	9.5
193.12253	18.2
199.05927	5.2
199.09724	5.1
199.13242	11.2
209.11693	17.8
211.13264	15.5
227.12814	23.2
229.14296	20.0
267.15909	6.7
283.15359	24.8
283.18765	8.3
285.17041	4.7
301.16653	6.6
397.44681	4.6
410.36133	5.1
419.24072	4.6
437.25137	15.0
459.27618	5.3
459.63971	4.9
493.27948	10.6
543.66486	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	668.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01871	1.6
55.05509	6.1
57.03439	1.4
57.07067	0.7
65.03944	0.7
67.05502	18.9
69.03426	1.3
69.07072	5.0
71.04974	1.1
77.03911	0.6
79.05492	21.4
81.03418	37.4
81.07056	17.5
83.04974	1.9
83.08613	8.9
91.05478	15.1
91.06010	1.0
93.07039	19.9
95.04970	13.5
95.08601	12.3
97.06508	1.8
97.10169	1.3
105.07027	9.8
107.04958	2.5
107.08589	9.2
109.06510	1.4
109.10149	4.7
111.08086	2.4
117.07034	2.8
119.08575	8.6
121.06490	1.3
121.10127	9.3
123.08126	0.9
123.11720	1.1
128.06163	0.8
129.06993	4.8
131.08549	6.4
133.06529	1.3
133.10146	3.8
135.11699	3.3
142.07802	1.6
145.10147	2.1
147.08061	1.3
147.11642	3.2
149.09592	2.0
149.13208	1.2
157.10168	3.8
159.11702	1.1
163.14824	0.8
170.36456	0.6
173.13286	1.2
175.11121	3.4
186.72113	0.6
187.14809	0.7
193.12251	9.2
208.19061	0.6
236.16542	1.4
249.14696	3.1
261.22171	1.3
267.15924	1.6
304.26419	2.5
335.25806	1.7
527.37317	100.0
528.37579	3.9
601.27692	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01869	1.6
55.05507	6.6
57.03433	1.2
57.07076	0.9
64.07680	0.5
65.03932	1.1
67.05502	25.2
69.03424	0.7
69.07068	6.9
69.51198	3.2
69.51610	1.2
71.04990	1.2
71.08627	0.6
72.61117	0.5
77.55524	0.5
79.05491	12.2
80.05870	0.5
81.03416	39.3
81.07054	25.3
83.04986	2.1
83.08617	9.7
85.06494	0.6
90.45243	0.6
91.05479	12.3
91.06017	1.0
93.07046	10.2
95.04973	9.4
95.08606	16.0
97.02892	1.2
97.06543	1.4
97.10153	1.5
98.20770	1.0
103.05482	0.5
105.07025	8.0
107.04964	2.0
107.08589	4.2
109.06493	1.4
109.10146	5.1
111.04452	0.7
111.08078	2.8
115.05449	0.9
117.07020	1.5
119.08572	6.8
121.06495	0.9
121.10149	3.5
122.25611	0.5
123.08113	1.1
123.11740	2.8
129.07011	4.8
131.08554	3.3
133.06467	1.2
133.10133	4.0
135.11671	2.0
137.13260	0.7
142.07790	1.5
145.10135	1.0
147.08020	0.8
147.11668	3.9
149.09647	2.1
157.10121	3.5
161.13237	1.0
163.15016	0.6
175.11200	2.3
175.14835	0.7
193.12234	8.6
236.16428	4.9
249.14857	3.8
249.18690	0.5
254.79326	0.5
263.23737	2.2
267.15982	1.7
306.27972	1.4
319.26578	0.5
337.27515	0.9
357.27560	0.6
529.38873	100.0
530.39288	2.9
638.26263	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31482	3.5
53.03943	8.1
55.01845	4.2
55.05510	22.2
57.03435	11.4
57.07078	59.7
59.69882	3.8
65.03943	3.9
67.05180	4.6
67.05507	51.1
69.03438	24.9
69.07071	18.9
69.26727	3.8
71.04991	7.9
71.08630	37.5
71.57989	3.9
71.58437	5.5
79.05493	22.3
81.03417	100.0
81.07062	59.0
83.04964	15.7
83.08618	32.6
85.02892	13.8
85.10182	15.3
91.05487	28.2
93.07034	21.4
95.04976	19.6
95.08619	42.2
97.02901	21.0
97.06522	7.1
97.10150	12.8
99.04442	5.6
101.50289	4.1
105.07042	15.4
107.04960	10.9
107.08571	14.1
109.02873	23.0
109.06484	5.3
109.10158	19.6
111.04445	11.6
111.08092	8.9
113.29994	3.9
117.07030	8.1
119.08566	14.2
121.06540	4.8
121.10153	11.3
123.11710	9.3
127.03918	18.1
129.07022	6.2
131.08592	8.7
133.06499	5.1
133.10106	9.0
135.11719	6.2
136.24577	3.9
147.11665	20.6
157.10117	11.9
163.11096	5.7
165.12759	4.2
175.11214	15.5
175.35081	5.0
191.10580	4.3
193.12292	41.2
211.13345	60.9
239.23759	6.9
266.46411	4.1
267.15842	9.4
313.27328	39.3
337.16470	6.9
355.17642	10.9
411.20120	9.7
421.29031	4.3
505.38788	7.4
523.39740	14.7
550.95984	4.0
667.44318	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	667.3296
Annotation	strychnogucine B
Peak:m/z	Relative Intensity
55.01885	0.7
55.05510	1.7
57.03420	2.0
61.02920	3.8
62.45593	0.5
67.05507	3.6
69.03415	2.8
69.07056	1.5
71.01340	0.6
71.05000	0.9
73.02914	2.4
79.05475	2.8
81.03413	4.1
81.07056	2.5
81.88346	0.5
83.04984	1.6
83.08624	1.2
85.02904	5.7
91.03957	2.1
91.05467	3.4
93.07028	3.0
95.04982	1.8
95.08618	1.4
95.53754	0.5
97.02888	4.0
97.06534	1.0
97.10167	0.9
99.04431	0.7
101.02370	1.4
105.07056	1.9
107.04961	0.7
107.08605	1.8
109.02898	1.3
109.10179	0.9
111.04481	0.5
111.08154	0.7
113.86961	0.5
119.08593	2.0
121.06529	0.7
121.10135	1.2
123.11672	0.5
127.03913	2.0
129.07042	0.6
131.08641	0.7
133.10132	1.2
135.11714	2.6
137.09596	0.5
143.09772	0.5
145.10156	0.8
147.11685	1.4
157.10144	0.6
175.11250	0.7
181.12242	0.7
185.04121	0.7
193.12224	1.1
209.11723	0.4
211.13327	0.7
221.11565	0.7
243.08388	1.1
248.33070	0.5
251.12706	0.7
265.55646	0.6
439.19293	4.8
468.29428	0.6
469.20465	9.9
469.27094	0.8
588.98010	0.6
667.32959	100.0
668.33258	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	667.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.6
55.01871	3.3
55.05513	19.1
55.93102	1.3
57.03438	9.1
57.07075	46.2
58.37336	1.2
63.02802	1.4
64.41636	1.3
64.66093	1.4
65.03940	1.8
67.05502	37.5
69.03425	21.4
69.07067	13.0
71.04977	7.8
71.08632	33.5
75.43571	1.2
78.99143	1.4
79.05489	21.6
81.03416	100.0
81.07056	45.2
83.04976	16.4
83.08611	30.7
85.02903	10.6
85.06544	3.5
85.10179	18.8
91.05479	28.3
93.07043	16.6
95.04958	18.5
95.08603	37.3
97.02888	28.9
97.06550	4.7
97.10171	7.3
97.85995	1.4
99.04465	6.3
99.08061	1.5
99.11728	2.3
105.07023	16.5
107.04947	10.4
107.08592	5.1
109.02872	20.2
109.06525	5.5
109.10147	16.2
111.04455	13.4
111.08072	6.8
111.11739	2.1
115.05415	1.7
117.07045	5.5
118.59271	1.6
119.08575	16.5
121.06545	3.2
121.10086	7.0
123.08105	2.4
123.11719	5.9
125.09669	2.1
127.03905	15.2
128.06174	2.0
129.07008	10.6
131.08571	10.8
133.06519	3.5
133.10123	9.0
135.11702	3.6
137.13281	1.8
142.07831	2.3
143.08548	1.8
145.06490	2.1
145.10143	5.0
147.08043	3.5
147.11682	20.9
149.05994	1.8
149.09627	4.0
153.12799	2.1
155.08569	1.8
157.10144	9.4
162.39928	1.4
163.11208	6.6
165.12766	8.1
171.11777	1.8
173.04510	2.7
173.09554	1.4
175.11194	13.2
181.12239	2.8
182.90128	1.6
187.11322	1.8
191.10706	5.6
193.12236	41.0
211.13280	57.1
227.12804	5.9
227.14748	2.3
229.14384	2.8
235.13243	2.6
239.23682	11.6
255.13791	4.2
267.15897	17.5
273.14929	4.6
285.17007	3.8
291.16064	2.2
313.27353	39.3
324.06357	1.5
337.16498	6.3
341.26965	2.0
355.17477	12.4
383.28003	4.7
411.20270	12.6
505.39081	8.1
523.39990	18.2
649.43231	1.6
667.44141	79.8
668.44141	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.05498	1.7
57.03423	1.7
57.07088	0.4
61.02927	3.2
67.05173	0.6
67.05503	6.6
69.03427	2.7
69.07072	2.2
69.79775	2.8
70.96030	0.4
71.04989	0.7
73.02908	2.7
79.05491	4.4
81.03419	2.2
81.07056	8.6
83.04983	0.9
83.08619	1.5
85.02913	3.7
85.06543	0.8
91.03952	2.5
91.05473	2.6
93.07039	5.5
94.92513	0.4
95.04961	1.4
95.08597	2.5
97.02893	3.5
97.06517	1.5
99.04449	0.8
99.08103	0.5
101.02375	1.0
105.07027	1.9
107.04939	0.5
107.08573	3.4
109.02873	1.4
109.06525	0.9
109.10169	1.4
111.08109	0.9
115.03976	0.4
117.07008	1.1
119.08588	0.9
121.10149	2.1
123.08047	0.5
127.03919	1.4
131.08549	1.5
132.16385	0.4
133.10095	1.2
135.07986	0.4
135.11703	0.8
147.11674	0.8
149.13257	3.6
157.10194	0.7
159.08015	0.5
159.11713	1.1
173.11816	0.5
185.04257	0.6
195.13885	0.6
203.05167	0.5
218.69356	0.4
235.13089	1.4
243.08464	1.7
269.17444	0.7
275.20114	1.3
285.10410	0.4
291.15723	1.0
309.75168	0.4
328.60373	0.4
332.67358	0.4
412.55823	0.5
453.20959	15.4
503.34402	0.5
562.75220	0.5
665.35040	100.0
666.35297	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.1
57.03431	1.9
61.02914	3.1
67.05509	7.9
69.03417	3.7
69.07057	1.6
71.58064	0.9
71.58447	1.1
73.02905	3.0
79.05481	4.1
81.03420	4.8
81.07053	8.9
83.04972	2.0
83.08608	1.2
85.02917	3.3
87.04449	1.1
91.03951	2.9
91.05476	4.1
93.07045	6.4
95.08613	3.2
97.02876	4.4
97.06523	2.2
99.04459	1.3
101.02393	1.4
105.07021	3.4
107.08625	4.9
109.02855	1.1
109.06498	1.6
109.10154	3.5
110.75233	0.8
117.07064	1.1
119.08585	1.7
121.10173	2.2
127.03946	1.2
131.08585	2.2
133.10144	3.2
135.08069	1.3
145.10197	1.0
147.11694	1.0
149.13341	2.4
157.10085	1.0
159.11742	2.6
163.89088	0.9
173.09546	1.0
173.13295	1.2
195.13773	1.1
210.63554	0.9
235.13100	1.4
243.08435	1.6
269.17493	1.3
275.20129	1.5
453.20978	14.4
553.45758	1.0
602.06183	1.0
665.35052	100.0
666.35431	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01865	0.6
55.05503	2.3
57.03423	1.7
59.05008	0.7
61.02919	3.2
64.21488	0.6
67.05505	7.4
69.03442	3.0
69.07058	2.5
70.63718	1.5
71.04979	0.9
73.02913	2.7
79.05483	4.6
79.43576	0.5
80.02980	0.6
81.03429	2.9
81.07052	7.5
83.04984	1.2
83.08619	2.5
85.02891	4.1
85.06502	1.2
91.03942	2.8
91.05473	3.0
93.07040	6.2
95.04979	1.1
95.08601	2.7
97.02885	4.1
97.06528	1.5
97.10151	0.9
99.04436	0.7
101.02372	1.4
105.07018	2.8
107.08585	2.8
109.02900	0.7
109.06519	0.7
109.10143	2.5
117.07024	2.1
119.08581	1.6
121.10150	2.5
125.09586	0.8
127.03922	1.6
131.08574	2.1
132.76224	0.6
133.10107	2.2
135.11665	1.6
145.10089	0.8
149.13295	2.3
154.09149	0.6
159.11717	1.2
177.12747	0.8
195.13878	0.7
235.13060	1.6
243.08444	2.3
253.12830	0.9
269.17606	0.6
275.19977	1.3
369.41492	0.7
453.20865	13.6
453.26602	1.0
483.61993	0.7
503.33569	0.8
562.03638	0.7
647.36816	0.8
665.35046	100.0
666.35638	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	662.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
55.01863	2.8
55.05507	14.9
57.03434	16.4
59.53881	1.3
61.02927	2.9
65.03929	1.9
66.50381	1.4
67.05504	39.9
69.03423	2.5
69.07070	10.2
69.50580	3.5
69.50986	9.5
71.01351	2.1
71.04987	4.7
79.05062	2.7
79.05494	37.9
81.03415	47.4
81.07053	29.8
83.04990	17.3
83.08613	17.6
85.02903	16.1
85.06519	3.0
86.09696	2.3
88.17041	1.5
91.05480	29.8
93.07038	38.7
93.07629	2.0
95.04959	24.8
95.08609	8.4
97.02888	4.9
97.06519	8.4
97.10171	8.4
98.20783	2.8
98.77644	1.6
99.04440	1.7
99.08096	1.7
104.85960	1.5
105.07031	19.4
107.04964	4.6
107.08594	24.5
109.06516	3.0
109.10147	5.1
111.08063	9.3
113.06018	2.0
117.06970	2.5
119.08562	15.2
121.06503	2.9
121.10111	10.1
125.09654	1.6
128.77504	1.6
129.07030	7.1
131.08524	8.6
133.06506	2.1
133.10114	9.8
135.11688	30.7
137.09576	2.6
145.10139	8.2
147.08064	2.8
147.11668	9.3
149.09590	3.6
157.10127	9.6
161.32561	1.6
163.11188	5.6
165.12823	1.9
175.11163	13.1
181.12160	8.4
184.07349	6.6
193.12225	31.8
193.13864	2.4
199.13383	1.6
211.13289	56.5
221.95975	1.6
248.20560	1.8
249.14868	2.9
255.15889	76.2
267.15927	26.7
285.16928	30.1
303.04941	2.4
304.05313	1.6
417.94696	1.6
421.25513	2.0
447.27417	68.8
448.27551	2.8
465.28482	100.0
466.28836	5.2
660.55261	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.2
58.98861	1.1
65.31247	1.1
67.05504	3.8
71.58133	1.7
72.62703	1.0
79.05480	2.5
81.03417	3.1
81.07050	3.7
83.08637	2.3
85.02908	1.8
86.09700	2.7
87.78318	1.1
91.05476	2.3
93.07044	3.2
95.04955	2.1
101.70802	1.1
105.07034	2.7
107.08570	2.1
119.08582	2.0
121.10130	2.2
124.99997	2.7
133.10144	2.9
145.10480	1.3
147.04167	1.1
153.01859	1.9
184.07323	9.0
185.07747	2.3
211.13353	1.3
255.15924	1.5
259.87320	1.1
377.05048	1.1
378.63077	1.2
386.53027	1.3
463.37482	1.2
466.28677	2.3
607.72040	1.5
663.33429	100.0
664.33813	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.05505	0.2
56.05033	0.9
58.06609	0.3
59.07388	0.2
60.08162	6.4
67.05487	0.9
69.07043	0.2
70.06586	0.2
70.22417	0.7
71.07368	3.9
71.96163	0.2
79.05496	0.9
81.03419	0.7
81.07062	0.6
83.04989	0.2
83.08575	0.2
86.09700	31.7
87.10030	0.5
91.05466	0.7
93.07025	0.7
95.04946	0.3
95.08606	0.4
97.02878	0.2
98.98449	3.4
104.10735	3.0
105.07034	0.3
106.34276	0.1
107.08582	0.4
109.02824	0.2
109.10139	0.2
115.05466	0.2
117.07077	0.2
119.08585	0.4
119.62785	0.2
121.10153	0.3
123.09095	0.2
124.99996	21.2
127.03899	0.2
133.10135	0.4
135.11655	0.3
141.06969	0.5
142.07326	0.3
143.01031	0.4
146.75636	0.2
184.07329	100.0
185.07700	0.8
197.05861	1.1
198.06319	0.6
255.16037	0.3
258.67822	0.2
267.15961	0.2
303.04880	1.2
304.05295	1.0
311.92484	0.2
332.10468	0.2
355.96939	0.2
400.97021	0.2
447.27142	0.3
450.22427	0.2
452.23822	0.2
465.28415	0.8
476.03763	0.2
518.34106	0.2
662.36646	5.2
663.36578	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.2
55.01847	8.2
55.05503	12.6
55.49410	6.4
63.97091	6.5
65.03929	9.6
67.05500	33.7
69.03423	17.3
69.07066	56.4
71.25387	15.6
79.05476	45.0
81.03407	26.3
81.07061	76.4
83.05002	13.2
83.08613	18.3
85.02905	20.4
85.06549	16.1
86.09705	19.8
91.05479	28.8
93.07031	52.5
95.04962	28.4
95.08607	45.2
97.06528	14.6
103.05459	18.9
105.07033	35.8
107.04939	17.5
107.08611	35.1
109.02911	11.6
109.10147	30.3
111.08027	11.3
111.11733	13.3
115.05419	8.8
117.06974	8.1
119.08592	19.8
121.06474	12.6
121.10146	21.2
123.11704	31.3
124.99998	20.6
125.09618	9.4
127.03903	16.8
131.04938	10.3
131.08563	11.7
133.06487	7.4
134.59879	6.7
135.11717	16.4
137.05971	23.3
137.13292	8.5
139.07550	15.8
139.11116	8.1
145.10098	12.5
147.11685	15.1
149.05981	15.0
153.01830	32.4
159.11710	10.6
161.06007	8.5
163.07555	13.9
165.12784	7.2
167.07054	22.3
173.13199	8.2
177.05441	8.0
181.04922	20.6
184.07324	100.0
185.07651	17.8
193.56035	6.9
209.08112	9.0
233.08044	13.0
289.25150	7.7
295.26187	15.3
307.26230	23.2
325.27451	16.7
353.10059	9.3
385.13217	11.3
417.15079	9.3
661.35132	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	661.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.7
55.01860	5.6
55.05494	2.3
67.05500	5.4
69.03402	5.8
69.95014	14.2
74.00597	2.4
79.05482	18.6
80.60278	2.2
81.03399	8.5
81.07036	2.7
83.04988	2.5
83.08608	3.6
85.02884	16.1
91.05478	12.9
93.07028	32.4
95.04963	5.4
95.08577	4.3
97.06526	4.1
105.07006	2.8
106.61149	2.1
107.04926	2.7
107.08559	3.0
109.02846	3.2
109.72504	2.1
111.08057	8.0
117.06985	3.4
121.06480	7.5
127.03892	6.5
129.06952	6.8
131.04929	2.9
131.08572	7.1
131.95045	2.6
137.05939	8.6
139.07536	34.5
139.50920	2.4
141.06960	6.3
145.04837	2.7
153.01868	3.2
157.06519	3.0
158.07164	3.2
159.08011	7.2
159.37111	2.3
163.07506	3.8
169.06488	4.3
170.44421	2.4
174.06763	10.8
175.07512	5.6
181.08730	3.8
184.07173	2.6
187.07716	3.2
189.09113	21.8
193.08563	2.9
198.53839	2.5
201.09108	8.5
219.10150	100.0
265.10663	2.6
283.11929	2.4
283.41144	2.4
618.86597	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	661.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
55.01864	4.7
55.05509	13.3
56.37319	0.9
57.03434	21.0
57.07059	3.3
61.02923	80.6
61.08139	0.9
65.03921	1.5
67.05502	39.8
69.03429	34.3
69.07064	15.5
71.01339	3.9
71.05002	6.2
71.59045	1.7
73.02912	23.4
75.04473	2.1
79.05493	15.4
81.03414	25.1
81.07051	46.2
83.01319	0.9
83.04985	5.1
83.08618	10.8
84.26783	0.9
85.02901	100.0
85.06520	1.8
87.04457	4.1
91.03953	51.1
91.05469	12.5
93.05556	1.2
93.07039	14.1
95.04979	3.9
95.08601	35.9
97.02887	75.8
97.06527	3.2
97.10167	5.7
99.04449	12.6
99.08103	1.5
101.02388	8.2
102.27721	0.9
103.03933	8.9
105.07034	10.7
107.04947	2.8
107.08582	10.2
109.02868	13.5
109.06522	1.8
109.10147	13.6
111.04442	4.0
111.08063	1.8
111.11699	2.3
113.09611	1.7
115.03941	6.4
117.05486	3.5
117.07009	2.8
119.08575	6.4
121.10143	9.5
123.11694	9.2
125.09595	1.6
127.03914	29.8
129.05484	6.1
131.08537	2.7
133.10130	8.3
135.07956	1.2
135.11684	6.4
137.05962	1.1
137.09607	2.3
137.13246	2.8
145.04944	20.6
145.10130	2.1
147.11687	7.5
149.13272	3.6
151.11244	1.3
151.14833	1.3
155.07016	1.3
157.10103	1.2
159.06528	2.6
159.11595	1.5
161.09654	1.0
161.13229	5.4
163.05997	5.9
163.11232	1.5
163.14816	4.3
165.12660	1.7
165.16383	2.1
167.14342	1.4
173.13274	2.0
175.14815	4.9
176.66327	0.9
179.14337	1.4
183.06514	9.4
187.14717	1.1
199.14803	1.0
201.07576	6.9
212.32483	0.9
219.08655	1.1
239.68999	1.0
245.22681	8.4
263.23712	14.4
269.17285	1.0
303.23248	1.1
305.24701	2.1
317.24783	1.4
319.26526	1.9
329.24585	1.8
335.25909	1.4
337.27359	76.6
338.27686	2.7
347.25824	1.6
353.24860	2.1
365.26880	3.4
371.25772	3.1
389.26953	1.3
420.35532	1.1
445.29504	3.3
463.30219	2.6
481.31641	8.1
499.32654	2.1
661.37500	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.8
53.03944	1.1
55.01861	1.9
55.05506	1.0
67.05497	1.9
69.03412	2.4
69.07059	1.2
69.53211	0.6
70.30949	0.6
77.03915	0.7
79.05492	6.4
81.03406	1.3
81.07081	3.5
85.02894	1.8
87.04485	1.0
87.93668	0.7
88.50130	0.8
91.05482	5.5
93.03395	0.7
93.07041	5.2
95.04954	2.1
95.08601	1.5
97.02885	1.4
97.06526	0.8
103.05461	9.3
105.07047	1.5
107.04955	1.2
107.08596	1.4
109.06499	1.9
111.08054	0.8
115.03877	0.7
116.04568	0.6
117.07027	3.8
119.04903	0.9
119.08549	0.8
121.06561	3.4
122.03628	1.3
123.08035	1.2
123.11672	1.0
128.06224	1.2
129.07004	1.8
131.04938	13.2
131.08556	0.9
133.06453	1.5
133.10103	0.9
135.08061	1.7
136.07544	0.7
137.05974	27.6
139.07539	5.1
143.08580	1.0
145.06483	0.8
149.06009	1.0
149.09631	1.0
151.07538	11.9
153.01833	1.6
161.04657	0.9
161.05919	4.5
162.06741	2.4
163.07547	33.5
165.07088	0.8
165.09102	0.9
167.07091	1.0
171.08124	1.1
175.07545	3.6
177.09103	100.0
178.09372	1.2
184.07335	2.6
187.07649	0.9
189.09125	1.9
190.28963	0.7
195.08139	1.3
195.10178	3.7
203.10617	1.2
204.06418	1.1
207.08212	0.8
208.08775	0.7
209.09645	0.8
221.09621	1.4
221.11700	10.6
222.12053	1.0
225.08978	0.7
237.09166	1.1
239.10754	0.9
251.10625	0.9
259.13275	0.8
265.08444	1.6
267.09811	1.2
283.13220	0.8
285.11484	0.9
287.12759	1.4
288.48334	0.7
293.11646	0.8
297.10938	0.7
299.12543	1.2
311.12784	2.9
312.13290	0.8
313.14496	1.7
327.12350	2.1
328.12564	1.9
331.15314	2.9
342.14560	3.7
343.14999	7.8
470.05591	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35788	0.8
53.03947	3.3
55.01862	3.1
55.05499	1.6
57.03435	1.1
66.10036	0.8
67.05489	1.9
69.03429	6.0
70.07971	4.2
71.04976	1.1
79.05489	11.5
81.03394	2.2
81.07037	1.8
83.04979	1.3
85.02887	5.8
88.39826	1.0
91.05492	9.1
93.07038	9.1
94.04183	1.9
95.04966	7.4
95.08604	1.5
97.02859	5.0
97.06544	1.3
99.04459	1.1
103.05463	60.3
105.07024	2.8
107.04943	12.6
107.08605	1.2
109.02895	1.3
109.06512	1.5
111.04456	1.1
111.08080	2.3
115.03932	1.7
115.05449	2.1
117.06998	2.0
119.04929	1.5
119.08625	1.6
121.06534	5.7
122.03662	5.2
125.02359	1.8
125.06010	1.2
129.07025	1.1
131.04924	100.0
133.06512	2.4
135.04408	1.2
135.08047	3.4
137.05971	90.2
138.06291	0.9
138.09171	1.0
139.07535	7.2
141.06952	0.9
143.08578	1.6
145.06474	1.3
149.05984	2.0
151.07516	7.4
153.01802	1.7
153.37703	0.8
159.08055	1.1
161.05974	4.8
161.09575	1.0
161.62299	0.9
162.06754	1.6
163.07541	86.3
164.08080	1.7
167.07082	1.6
175.07500	7.8
177.05481	1.5
177.09079	11.8
178.83444	0.9
181.04959	1.6
181.08565	8.3
181.09789	0.8
189.09088	2.2
191.07013	1.1
195.08112	1.4
195.10175	2.3
201.09062	1.0
203.10698	2.8
207.10184	3.5
209.09676	1.4
219.10158	1.2
221.11681	6.3
223.11212	1.9
227.10551	1.4
229.12306	0.9
239.10712	1.5
241.12180	2.0
248.38000	1.0
255.13872	1.2
257.11761	1.3
283.13190	2.4
285.14920	1.4
301.14609	1.0
303.04889	1.5
303.15866	1.1
313.14334	1.6
318.44434	0.9
323.11453	1.3
331.15494	2.5
352.16269	0.9
461.17755	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46635	1.0
53.03940	1.9
55.01880	1.9
55.05508	7.8
57.03437	5.6
57.07077	1.9
61.02923	2.6
63.32095	1.2
65.03959	1.5
67.05506	29.5
68.05839	1.0
68.82833	1.1
69.03442	1.2
69.07073	10.0
71.04998	3.1
71.58276	1.5
79.05500	15.6
81.03416	3.9
81.07058	41.3
83.04995	3.0
83.08607	9.0
85.02901	2.8
85.06535	2.5
91.05482	14.9
93.07043	25.0
95.04973	3.4
95.08614	11.1
97.02871	1.7
97.06519	5.8
97.10145	1.5
105.07018	8.4
107.04974	2.7
107.08607	13.2
109.06534	1.8
109.10172	6.3
111.08086	3.2
114.69530	1.1
117.07022	6.7
119.08588	4.1
121.06505	2.2
121.10138	9.2
123.11711	2.9
131.08562	8.7
133.10129	10.3
133.21024	1.1
135.08086	1.7
135.11694	6.5
138.09070	1.2
143.08580	1.9
145.10110	2.9
146.10489	1.0
147.11664	2.6
149.13257	9.9
151.11192	2.1
153.01855	1.4
157.10214	1.8
159.11668	6.9
173.89925	1.2
177.12811	2.5
184.07321	1.7
195.12062	1.6
195.13759	6.3
253.14362	4.5
267.15909	1.8
269.17487	25.1
271.15536	1.3
339.17886	1.5
349.16809	2.2
353.24384	2.1
391.10251	1.2
445.29639	14.1
463.30615	100.0
464.31137	1.8
571.32153	1.4
607.34393	3.1
661.31622	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79226	3.4
53.03931	5.0
55.01860	8.3
55.05503	6.9
57.03423	3.4
67.05499	7.4
68.65519	3.1
69.03414	9.1
69.07047	3.9
70.82925	8.3
73.02893	4.7
79.05488	33.6
81.03403	13.0
81.07048	12.4
83.04962	4.6
83.08595	5.7
85.02905	24.9
85.06496	3.2
86.09710	6.4
87.96218	3.2
91.05468	28.1
93.07037	42.9
95.04964	12.4
95.08610	6.7
97.02882	4.8
97.06517	5.7
100.11241	6.9
104.06596	2.7
105.06974	8.4
107.04919	4.3
107.08615	5.5
109.02881	5.0
109.06510	6.3
109.10148	5.3
111.04408	4.6
111.08080	13.4
115.05465	3.7
117.06934	3.6
119.08562	4.7
121.06515	15.4
123.04464	3.7
127.03915	8.9
129.06967	14.3
131.04909	8.7
131.08560	10.3
135.07970	3.7
137.05968	18.8
138.09006	3.3
139.07541	39.6
141.06999	6.5
145.04944	4.4
149.05934	4.6
151.07538	11.9
153.01802	14.3
153.05559	3.6
157.06400	4.6
157.08485	3.9
159.08060	9.4
161.05931	5.9
163.07512	5.2
167.07088	3.6
169.06500	7.8
173.06075	3.6
174.06760	12.6
175.07542	8.5
177.09103	6.3
181.05000	4.7
182.15303	4.0
184.07365	14.5
187.07446	4.7
189.09138	29.6
191.07019	3.7
193.08295	3.4
197.05896	2.7
201.09076	11.4
210.14961	4.9
219.10147	100.0
265.10803	6.2
295.34558	3.7
311.12741	3.3
331.15390	3.9
456.56335	3.1
661.35217	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	660.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88220	0.7
53.03941	1.5
55.05511	6.7
57.03431	7.1
57.07068	2.0
57.24620	0.7
61.02915	1.9
65.03939	1.8
67.05500	38.1
69.07066	12.7
70.32460	2.7
71.04971	2.6
72.41619	0.9
79.05487	19.8
81.03405	3.0
81.07050	49.3
83.04961	3.6
83.08610	10.8
85.02895	1.1
85.06511	2.9
87.05326	0.9
91.03949	0.9
91.05476	12.4
93.07035	35.5
95.04993	4.4
95.08605	10.2
97.02877	1.1
97.06520	6.8
97.10131	1.4
99.08067	2.2
105.07023	5.5
107.08590	19.9
109.06482	1.2
109.10129	3.0
111.08054	3.0
117.07027	4.7
119.08585	1.5
121.06466	1.6
121.10139	9.8
123.11722	1.4
131.08551	5.2
133.10130	6.6
135.08000	1.6
135.11684	6.6
147.11623	1.0
149.13245	16.8
159.11656	7.4
162.45976	0.9
177.12712	4.0
184.80342	0.8
188.57260	0.9
195.13770	10.1
199.16957	1.4
213.14810	1.8
251.16435	2.2
269.17459	56.6
270.17834	1.5
331.83472	0.7
383.52716	0.8
463.30511	100.0
464.30972	4.4
538.05981	0.9
590.08881	0.9
662.93506	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.8
55.01875	2.2
55.05507	7.9
57.03431	4.6
61.02931	3.4
67.05502	28.9
69.03421	1.9
69.07059	12.8
69.40667	13.8
71.04996	3.1
78.85973	1.4
79.05497	20.7
81.03409	2.9
81.07054	43.0
82.07404	1.6
83.04979	4.2
83.08611	11.1
85.02901	4.2
85.06537	2.4
91.03992	1.5
91.05476	13.8
93.07044	32.1
95.04975	4.3
95.08597	10.8
97.02884	2.3
97.06534	4.2
97.10195	2.9
98.21519	3.0
105.07013	8.9
107.08590	15.7
109.06509	2.1
109.10165	3.4
111.08093	3.5
117.07022	7.1
119.08575	4.6
121.06487	2.6
121.10130	8.4
123.11756	1.9
129.07002	2.3
131.07690	1.4
131.08554	8.5
133.06261	1.6
133.10112	7.2
135.11726	6.7
143.08556	2.9
145.10138	2.4
149.13280	12.9
157.10109	2.0
159.11673	7.6
177.12740	2.7
184.07382	2.5
195.13817	6.4
213.14923	1.4
269.17480	31.0
353.24786	1.8
371.25909	2.6
379.32324	1.5
389.27017	1.8
440.41434	1.7
445.29364	12.1
463.30560	100.0
464.30887	4.0
467.76556	1.7
469.72787	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28129	0.7
53.03944	1.8
55.01870	1.8
55.05510	7.6
57.03432	8.6
57.07071	1.8
61.02919	7.0
65.03948	1.2
67.05502	35.0
69.03419	2.1
69.07069	10.3
70.06586	1.8
71.04997	2.1
73.02905	1.5
78.47178	0.6
79.05492	21.6
81.03416	3.3
81.07052	46.5
83.04983	4.0
83.08611	7.9
85.02906	6.8
85.06535	3.3
86.03198	0.8
88.07607	1.5
91.03967	4.1
91.05482	13.2
93.07040	35.1
95.04961	3.5
95.08607	13.4
97.02888	4.9
97.06528	6.5
97.10189	0.8
99.04465	0.8
99.08086	2.0
105.07021	4.5
107.08590	19.7
109.02857	1.0
109.06541	1.8
109.10163	2.1
111.08090	3.5
117.07015	6.7
119.08567	1.9
121.06525	0.9
121.10134	11.6
123.11734	1.8
127.03928	1.7
131.08580	5.8
133.10146	8.0
135.08086	1.1
135.11665	4.2
145.04941	1.2
145.10176	0.9
147.11676	1.3
149.02333	2.2
149.13251	19.9
150.02733	1.1
151.11148	0.9
153.11243	0.8
157.10152	0.9
159.11700	7.8
167.14323	0.8
168.78485	0.8
177.12715	4.1
193.04955	2.8
194.05367	1.3
195.13815	9.6
213.14862	2.3
256.26367	1.3
257.26657	1.6
257.89474	0.8
269.17462	48.8
335.25790	1.2
336.26038	2.1
339.42584	0.8
387.09717	0.9
430.12128	1.0
431.12372	1.7
463.30530	100.0
464.31433	3.9
494.07681	0.9
532.06177	0.8
660.36438	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	660.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01867	1.2
55.05315	0.8
55.05517	8.5
57.03437	8.5
57.07072	2.1
58.08884	0.8
61.02925	8.4
62.96981	0.7
64.79153	0.8
64.79488	0.9
65.03952	1.3
67.05503	37.3
69.03429	4.0
69.07066	10.4
69.50794	7.4
70.06554	1.1
71.04988	3.7
73.02893	2.0
79.05492	22.0
80.35336	0.7
81.03438	4.4
81.07056	53.1
83.04982	3.1
83.08617	11.7
85.02909	9.9
85.06544	2.8
88.07642	0.9
91.03964	4.4
91.04903	1.0
91.05477	15.2
93.07042	32.6
93.16950	0.8
95.04977	4.0
95.08603	11.8
96.08939	0.9
97.02886	5.7
97.06530	5.8
97.10166	1.6
98.20765	1.9
99.08083	1.8
101.02354	0.9
105.07035	7.0
107.08593	17.4
109.02915	1.2
109.06500	1.1
109.10175	2.9
111.08090	4.6
111.68008	0.8
117.07021	6.0
117.25610	1.0
119.08578	2.2
121.06506	1.3
121.10139	10.8
123.11689	4.1
127.03906	2.8
131.08562	5.4
133.10147	11.2
135.08072	1.3
135.11711	6.8
145.10115	1.0
147.11678	0.8
149.02292	1.2
149.09584	1.4
149.13261	11.4
159.11681	7.2
162.58415	0.8
177.12750	3.6
193.04993	1.3
195.13780	12.1
213.14786	1.7
251.16463	2.3
256.26392	1.3
257.26651	1.7
261.22144	0.8
262.22342	1.0
269.17468	60.6
270.17761	1.6
309.64847	0.8
335.25806	1.8
336.26157	2.8
445.29764	1.1
463.30533	100.0
464.30960	5.0
600.10382	0.9
607.34558	1.2
660.36426	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	660.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51208	2.1
53.03942	2.9
55.01865	5.5
55.05516	11.4
55.27607	2.2
57.03437	17.6
57.07054	2.7
61.02916	2.8
62.14916	2.1
67.05508	37.4
69.03419	6.3
69.07062	12.9
71.01353	3.8
71.04964	3.4
71.58212	4.3
76.31770	2.0
77.36393	2.1
78.67655	2.1
79.05067	3.2
79.05492	43.4
81.03426	13.5
81.07061	28.7
83.01308	5.1
83.04552	2.0
83.04980	13.8
83.08623	11.6
85.02901	6.7
85.06527	3.4
86.09678	2.4
91.05476	20.5
93.07045	47.1
95.04977	6.6
95.08613	14.5
97.02924	4.1
97.06537	11.0
97.10149	5.4
103.10549	2.2
104.90464	2.0
105.07026	9.4
107.04932	6.2
107.08592	34.2
109.06499	4.1
109.10155	6.3
117.07037	11.1
119.08559	8.6
121.10120	9.4
123.08050	6.1
125.09618	3.3
130.60495	2.3
131.08519	2.6
133.10133	6.3
133.72701	2.3
135.08034	3.7
135.11682	40.2
145.10141	13.6
149.13261	3.1
163.11145	20.2
181.12206	9.0
184.07336	6.8
191.10657	2.4
209.11778	3.3
227.12854	4.0
255.15921	60.4
264.12064	2.4
269.17389	9.3
283.15399	49.0
445.25522	3.3
463.26416	100.0
464.27576	3.3
600.99927	2.3
606.52423	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	659.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
54.50096	1.0
55.01864	5.5
55.05507	10.5
57.03151	1.3
57.03436	24.2
57.07070	2.4
61.02925	82.4
65.03932	2.0
67.05503	42.2
68.35004	1.2
69.03429	36.4
69.07063	9.3
70.62123	4.4
71.01363	2.9
71.04993	4.7
71.08621	1.1
73.02916	28.5
75.04471	2.3
79.05492	28.6
81.02926	1.1
81.03419	27.1
81.07057	43.0
83.01372	1.3
83.04982	5.1
83.08615	5.5
85.02904	100.0
85.06555	1.8
87.04478	3.8
91.03954	58.1
91.05475	18.0
93.07037	30.1
95.04971	7.8
95.08604	31.7
95.50187	1.1
97.02888	73.8
97.06518	2.7
97.10185	3.7
99.04456	13.5
101.02383	7.6
101.08255	1.0
102.09146	1.2
103.03944	8.2
105.07034	12.5
107.04940	2.4
107.08589	18.0
109.02885	12.2
109.06550	3.4
109.10139	17.2
111.04441	3.9
111.08102	2.4
115.03928	7.0
115.05371	1.1
117.05524	2.6
117.07029	6.4
119.04913	1.1
119.08566	13.8
121.10133	17.7
121.10923	1.7
123.08106	1.6
123.11701	4.9
125.09612	2.5
127.03916	34.6
127.04809	2.1
128.51341	1.1
129.05478	4.7
129.06960	2.5
131.04756	1.0
131.08571	9.3
133.10120	11.8
135.08061	1.3
135.11703	10.7
137.13243	2.3
139.11115	1.1
142.43919	1.1
143.08556	2.3
145.04953	24.7
145.10117	6.9
147.06737	1.0
147.11685	7.6
149.09616	1.1
149.13235	7.2
151.11176	2.1
151.78502	1.0
154.92741	1.0
157.10156	2.6
159.06546	2.9
159.08020	1.3
159.11688	8.8
161.13243	7.5
163.06018	7.9
163.11224	1.2
163.14804	3.0
165.12814	1.2
171.11681	3.0
173.13278	5.0
175.11188	1.3
175.14783	2.5
177.12810	1.5
183.06500	6.6
183.11745	2.2
185.09628	1.4
185.13258	2.5
187.14845	5.4
193.04973	2.1
193.12413	1.1
197.13289	1.2
201.07669	6.0
210.62543	1.1
243.21156	4.5
256.26343	2.3
257.26822	1.5
259.20706	2.5
261.22110	12.7
261.73520	1.1
273.22141	2.0
275.20120	2.1
277.21686	2.0
301.21695	1.4
303.23254	1.9
315.23148	1.4
317.10312	1.1
317.24728	1.2
327.23294	2.2
335.25790	67.9
347.26358	1.1
351.22925	1.1
363.25439	2.6
369.24182	1.5
443.27911	4.1
461.28705	2.1
479.29883	4.8
561.37494	1.9
581.20251	1.2
659.36053	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	658.38
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06376	5.3
55.05499	13.2
57.03425	12.7
57.07079	7.7
67.05495	48.7
69.07050	19.1
69.36770	27.5
69.37199	29.1
70.06582	17.8
78.37514	5.8
78.50607	5.5
79.05488	36.0
81.03420	49.8
81.07065	52.1
83.04967	9.7
83.08614	18.5
86.09709	8.9
88.07626	18.2
91.05478	29.0
93.07060	38.6
95.04971	17.4
95.08591	17.9
97.02859	10.8
97.06512	9.4
102.09164	11.7
105.07014	23.2
107.08598	24.7
108.25417	5.5
109.10137	8.0
111.08071	11.9
117.07053	6.7
119.08555	11.7
121.10103	12.5
129.06972	5.8
131.08582	10.0
133.10153	9.0
135.11690	15.0
147.11879	7.7
149.02325	31.8
149.13231	17.2
179.58305	6.4
184.07292	25.2
193.04984	38.1
193.12224	17.0
225.09576	6.4
237.07573	9.5
237.39195	5.7
256.26407	47.5
267.15933	67.9
269.17438	69.5
341.06354	12.0
385.09247	14.3
429.11713	26.4
461.28973	100.0
658.35883	95.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.8
55.01859	3.9
55.05508	13.3
57.03436	24.5
57.07064	7.7
61.02922	90.2
67.05500	57.2
69.03426	40.3
69.07066	11.4
70.06585	12.1
71.01350	5.2
71.04970	6.7
71.08625	2.1
73.02907	30.5
79.05487	36.0
81.03411	27.8
81.07049	55.5
83.01369	2.3
83.04971	6.3
83.08614	6.4
85.02897	100.0
85.06529	3.0
87.04436	2.5
88.07625	15.6
91.03948	65.9
91.05469	25.1
93.07037	44.9
95.04968	7.3
95.08597	43.4
97.02885	78.0
97.06537	3.5
97.10149	2.8
99.04454	15.8
101.02361	9.8
102.09188	12.1
102.83986	2.1
103.03952	11.6
105.07019	20.1
107.04944	3.6
107.06149	2.0
107.08573	22.8
109.02850	15.6
109.06500	2.1
109.10162	21.2
111.04385	4.8
111.08066	3.1
115.03920	7.0
117.05486	3.1
117.07004	12.3
119.08585	13.3
121.06493	2.3
121.10130	21.5
123.08047	3.4
123.11700	9.6
127.03917	27.8
129.05475	6.5
129.07004	4.5
131.08568	14.9
133.10104	12.2
135.11656	14.5
137.09627	3.3
137.13223	3.3
143.08527	3.3
145.04942	18.3
145.10110	8.2
147.11691	9.5
149.02325	20.8
149.09598	2.3
149.13240	8.3
150.02715	7.5
157.10060	3.6
159.06563	4.1
159.11703	9.9
161.13313	6.6
169.10161	3.4
171.06537	2.8
171.11763	2.0
173.13284	6.8
175.14902	4.9
183.06500	10.6
185.13271	2.3
187.14845	5.1
193.04956	25.1
194.05325	7.1
201.07626	8.4
237.07582	6.1
238.07936	4.1
243.21104	5.3
256.26349	26.1
257.26654	22.9
261.22211	20.3
269.17535	5.9
310.84610	2.2
317.24680	2.1
335.25763	85.8
341.06622	5.1
342.06949	3.4
363.25281	3.4
385.09207	8.5
386.09436	10.7
429.11792	9.2
430.12183	14.8
443.28021	3.2
451.79987	2.2
463.30551	10.1
479.30038	6.2
659.36029	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58538	5.6
53.03933	12.9
55.01859	8.3
55.05506	28.6
55.37355	5.8
57.03436	24.6
57.44160	6.3
59.87032	5.5
67.05502	82.2
69.03437	21.4
69.07067	14.0
71.05016	7.6
71.57854	7.6
74.90683	5.5
79.05479	55.5
81.03423	87.4
81.07051	82.7
83.04978	26.0
83.08586	33.7
85.02902	20.6
88.86302	6.5
91.05478	51.6
93.07037	69.0
95.04973	28.7
95.08576	30.2
97.02899	20.5
97.06590	9.9
105.07021	33.8
107.04974	14.8
107.08581	37.1
109.02834	11.4
109.06525	16.2
109.10158	12.0
111.08072	22.1
117.07009	15.6
119.08578	16.0
121.10131	23.3
125.09605	12.2
127.03921	6.8
129.05499	12.6
129.06998	14.1
131.08569	19.0
133.10126	18.7
135.08104	6.9
138.35388	6.2
143.08539	8.0
145.10086	10.4
147.08058	8.0
147.11679	23.1
149.09625	8.4
149.13312	18.9
153.01906	7.4
157.10088	12.8
159.11679	14.8
175.11197	10.1
175.52620	5.8
177.12663	6.5
191.70866	5.9
193.12219	30.4
195.13808	18.2
198.39264	6.1
211.13342	26.0
228.55856	6.4
267.15945	51.9
269.17456	61.8
270.17755	6.6
285.17041	26.2
389.01166	6.7
398.09628	7.2
413.21573	21.3
426.86432	7.9
461.28952	100.0
479.30099	53.6
512.14050	10.6
605.32477	8.4
623.34174	26.5
659.54352	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	658.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79785	2.8
53.03954	6.8
55.01861	4.2
55.05503	14.5
62.02779	3.2
65.03951	3.5
67.05515	21.3
69.03413	10.6
69.07074	22.9
70.06590	3.5
71.04987	4.5
71.57796	4.7
72.08160	2.9
72.76457	2.9
73.44256	3.1
79.05495	30.6
80.96410	2.7
81.03410	14.1
81.07053	34.5
81.75825	3.3
83.04990	16.9
83.08618	4.5
85.02898	6.8
85.06540	4.0
86.09700	6.1
91.04989	3.6
91.05476	22.9
93.07047	34.2
94.46383	3.3
95.04965	19.0
95.08608	23.6
96.34654	2.8
97.02894	11.6
97.06520	11.7
99.04464	13.5
103.05437	3.3
105.07030	46.1
107.04970	8.7
107.08600	40.0
109.02874	5.5
109.06490	16.1
109.10157	10.7
111.04431	5.1
117.07031	12.8
119.08585	49.1
120.08189	3.4
121.06516	9.0
121.10117	26.0
123.04491	4.4
123.08043	4.2
123.11752	3.8
125.05987	6.6
127.03899	7.4
127.07568	10.2
129.06935	4.2
131.08543	13.1
133.06483	4.8
133.10143	41.7
135.04459	4.2
135.08090	6.2
135.11716	18.2
137.05998	16.9
137.09653	11.3
143.06999	6.1
143.08560	6.4
145.06517	3.6
145.10124	45.3
147.08017	6.2
147.11671	9.6
149.09554	4.2
151.07518	7.6
153.01859	5.4
159.08080	5.3
159.11685	16.2
161.09645	5.5
163.11177	34.3
167.07013	5.6
169.10176	4.5
173.09592	19.7
175.07474	3.5
175.14813	100.0
175.16280	5.5
177.05518	4.1
179.10672	4.8
181.05061	6.3
181.12206	5.3
185.09621	3.4
187.11162	28.0
189.12840	3.8
191.10617	15.6
193.15907	12.9
203.10815	3.6
203.20686	3.5
205.12253	23.2
215.10680	17.2
233.11710	25.7
251.12927	17.9
267.12140	4.3
269.13943	4.3
315.15768	3.3
325.16360	10.1
345.60419	2.8
345.65897	3.0
359.14893	6.7
377.15924	18.0
395.16821	14.5
413.18060	20.1
446.06509	3.7
551.22284	3.4
624.72235	3.4
658.31757	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.05514	6.6
60.18914	1.2
63.08272	1.1
67.05505	7.6
69.03429	4.1
69.07067	40.5
69.41080	5.8
69.41502	4.8
71.05001	1.7
79.01853	3.0
79.05493	4.5
81.03432	6.8
81.07051	19.2
83.04964	2.4
83.08621	4.5
85.02902	5.1
85.06513	3.0
91.05489	3.4
92.95824	1.4
93.07037	7.0
95.04948	2.7
95.08604	11.5
97.02888	5.3
97.06531	3.0
97.10164	1.9
99.08086	2.6
103.05447	1.4
105.07005	6.6
107.01311	1.4
107.04978	1.2
107.08597	8.1
109.02863	5.7
109.06519	2.6
109.10150	10.6
110.10442	1.4
111.11729	10.9
119.08585	4.8
120.08858	1.2
121.10147	5.1
123.08079	1.8
123.11679	9.0
125.02332	2.6
125.05972	1.0
127.03924	8.8
127.11176	2.0
131.08540	1.5
133.10130	2.7
135.11703	3.1
137.06009	2.4
137.13275	2.5
139.11186	10.2
143.03436	5.8
149.13252	2.3
151.14801	1.8
153.01820	100.0
157.12199	2.8
158.69023	1.1
159.11674	1.5
161.13312	2.8
163.11276	1.5
163.14764	1.4
165.09074	11.1
165.12701	1.9
167.07086	2.6
171.02870	9.1
173.13329	1.9
179.14264	2.0
185.06291	1.4
189.09027	1.4
205.12398	1.4
241.72430	1.3
271.24228	1.6
277.25650	1.2
289.25153	2.3
295.26306	12.0
297.06082	2.5
307.26315	18.3
315.07162	9.4
325.27444	4.4
455.96063	1.4
459.26859	1.4
546.03748	1.2
657.33600	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.7
55.01873	31.5
55.05511	40.6
56.96568	4.0
57.03438	48.7
57.03718	6.4
57.07068	8.4
59.04974	3.3
61.02929	4.0
65.03951	3.2
67.05505	100.0
69.03431	39.2
69.07079	23.4
69.27798	14.5
69.28223	18.5
71.01359	5.6
71.04992	9.0
73.02929	22.6
78.24223	3.3
79.05492	58.7
81.02979	5.9
81.03419	62.1
81.07059	91.8
83.04974	48.4
83.08620	21.7
85.02905	30.7
85.06541	7.2
91.04958	5.7
91.05485	51.7
93.07042	55.7
95.04987	23.7
95.08612	30.9
97.02871	26.9
97.06536	21.8
97.10178	11.4
99.04462	8.6
99.08103	4.2
101.05948	4.4
101.79699	3.5
105.07038	30.6
107.04955	14.6
107.08591	33.6
109.02873	9.0
109.06519	6.5
109.10159	37.3
111.04435	13.9
111.08076	12.4
116.04719	17.4
117.07014	13.0
119.08595	21.8
121.06512	6.6
121.10114	19.4
123.08046	9.0
123.11727	8.5
125.09615	11.2
127.03884	14.1
129.05473	50.7
129.06992	9.2
130.07651	3.1
131.03374	3.5
131.08580	20.0
133.04515	3.4
133.06528	4.5
133.10109	20.1
135.04424	4.2
135.08060	3.3
135.11717	15.6
137.09654	5.0
143.07039	18.0
145.04955	3.6
145.10130	7.6
147.08098	3.7
147.11699	21.1
149.09641	6.1
149.13239	16.1
153.05440	5.0
153.12694	3.5
155.08647	3.6
157.08597	28.5
157.10101	10.4
158.05727	4.7
159.11652	9.7
163.11198	8.6
165.12808	4.9
171.06502	5.1
171.10176	5.3
173.04550	14.8
173.11763	9.5
175.11214	10.0
177.12750	11.0
185.11667	6.9
191.10727	3.5
193.12230	18.2
195.13806	13.9
199.09631	3.6
199.13293	7.5
200.14050	3.8
209.11754	3.6
211.13286	12.1
213.14615	3.4
227.12784	10.5
229.14331	32.2
255.15907	4.6
267.16028	6.2
269.17419	26.1
283.15530	8.1
284.16138	3.7
285.17102	4.8
295.72501	3.5
301.16391	9.3
323.22345	3.9
413.03519	3.3
413.21555	5.8
423.27429	28.9
459.27463	3.2
460.27911	5.1
477.28314	6.6
478.28745	3.3
495.29218	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	657.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.1
53.65829	2.5
55.01873	23.6
55.05510	37.9
57.03436	32.5
57.07074	7.5
59.04987	3.2
61.02923	3.1
64.49285	2.1
65.03937	6.7
67.05501	100.0
69.03432	34.6
69.07067	25.4
70.02612	4.8
70.03008	7.0
71.01367	4.2
71.04989	10.0
73.02910	17.9
79.05490	58.1
79.06718	2.2
81.03413	59.2
81.07050	79.7
82.07355	2.3
83.04971	29.9
83.08615	23.8
85.02901	32.4
85.06534	6.0
91.05484	42.9
93.07043	51.4
93.07632	3.1
95.04954	20.7
95.08593	24.7
97.02878	20.0
97.06544	19.8
97.10181	8.9
99.04449	7.3
99.08110	5.1
105.07034	26.1
107.04957	11.5
107.08588	31.7
109.02890	9.3
109.06522	6.9
109.10146	41.8
109.10845	4.2
111.04447	8.9
111.08067	11.1
115.03922	4.5
116.04722	8.8
117.07018	9.9
119.08575	19.1
121.06507	6.4
121.10149	21.9
123.04417	4.2
123.08076	9.2
123.11694	5.3
125.09617	8.7
127.03896	11.1
127.11224	2.7
128.06186	2.9
129.05487	32.7
129.07011	7.8
131.03407	3.4
131.08565	18.2
133.10136	20.6
135.04424	7.0
135.08080	4.4
135.11691	11.8
137.06027	2.2
137.09634	3.1
143.07054	7.8
145.04895	2.4
145.10112	5.3
147.08043	2.6
147.11664	15.3
148.12430	3.1
149.02345	4.9
149.09625	7.4
149.13258	20.2
157.08617	18.0
157.10135	6.3
159.11703	10.2
160.12166	2.2
163.11160	5.0
165.12758	4.0
171.06628	5.8
173.04510	9.7
173.11749	12.3
173.13054	2.4
175.11180	6.3
177.12730	7.5
181.04904	3.8
181.12187	3.4
193.12267	11.4
195.13846	12.0
199.13280	4.1
209.11638	3.1
211.13356	7.8
213.14929	3.4
227.12703	6.1
229.14319	33.1
235.69708	2.3
255.15923	5.3
267.16025	7.0
269.17450	34.8
275.91797	2.2
283.15500	4.4
301.16483	7.4
303.15958	2.4
323.18655	2.8
338.12485	2.6
343.10867	2.3
351.21759	4.0
413.21725	4.2
423.27380	61.2
424.27811	3.2
459.27191	3.2
477.28488	5.1
481.89423	3.0
495.29840	7.2
622.17645	2.7
639.33521	4.2
657.34729	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	656.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.2
55.01864	5.1
55.05514	31.8
57.03454	4.0
61.02929	4.0
66.72391	1.8
67.05508	28.0
69.03435	3.8
69.07067	6.8
70.64630	3.5
71.04998	2.9
79.05495	25.8
81.03423	10.1
81.07055	21.5
83.04965	7.2
83.08619	14.9
85.02912	3.6
91.05485	24.1
93.07051	14.2
95.04972	4.7
95.08584	11.5
97.02881	5.5
97.06548	2.3
97.10169	25.3
103.05465	13.9
105.07034	22.0
107.04952	3.5
107.08613	11.4
109.06501	2.9
109.10191	5.1
115.05472	5.6
117.07023	31.4
119.08594	8.7
121.06493	3.3
121.10140	5.1
125.09628	23.9
127.03905	2.1
128.06245	2.5
129.07013	14.7
131.08565	27.1
133.06488	7.1
133.10118	4.9
135.08047	5.8
141.06979	6.8
143.08565	7.1
145.06491	7.0
145.10153	8.8
147.08025	3.8
147.11650	2.4
149.09647	4.2
149.13261	3.2
153.09058	4.1
155.08562	9.9
157.06540	2.4
157.10107	4.3
159.08113	2.6
159.11633	4.3
163.11099	2.8
167.08548	2.7
169.10136	6.2
171.07979	2.9
171.11714	4.9
173.13342	2.1
181.10104	3.6
187.14844	9.2
189.11238	11.9
197.13306	8.8
199.11238	2.5
213.12732	3.0
214.18022	10.9
215.14314	41.9
217.03017	2.2
221.13284	2.5
227.12766	17.8
233.15509	2.1
245.13919	3.7
255.13641	1.9
263.36563	2.6
267.16083	2.2
271.16977	4.2
349.21622	8.5
367.22708	14.1
385.23892	11.8
403.24756	4.4
423.25714	2.3
441.26382	53.1
459.27383	100.0
460.27908	2.8
477.28568	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	655.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.0
53.03951	8.9
53.04173	1.7
55.01858	5.4
55.05505	25.5
57.03430	13.9
65.03928	2.2
67.05502	62.5
69.03430	20.4
69.07067	9.9
71.04987	42.4
79.05489	36.4
81.03413	100.0
81.07049	83.7
83.04982	24.6
83.08618	25.5
85.02901	25.3
85.06528	8.2
89.63487	2.2
91.05479	50.5
93.07037	27.5
95.04969	33.1
95.08595	16.4
97.02879	12.6
97.06539	10.2
97.10184	6.9
99.04454	4.4
99.08105	2.5
103.05489	2.5
105.07020	38.6
105.07684	3.0
107.04977	9.3
107.08591	18.8
109.02876	17.0
109.06491	7.8
109.10148	10.9
111.04440	13.2
111.08074	7.7
115.05455	2.4
117.07018	6.7
119.08569	18.1
121.06483	5.9
121.10157	12.7
123.04413	2.3
123.08039	4.1
123.11700	11.4
125.09639	3.9
127.03917	8.6
128.06209	1.9
129.05510	3.9
129.07010	9.5
131.08551	13.4
133.06491	4.3
133.10123	25.3
135.04398	2.5
135.11676	4.7
145.10143	2.7
147.08051	4.3
147.11685	16.3
149.06010	2.2
149.09627	7.0
149.13258	8.4
151.11192	9.4
157.10114	11.9
159.11700	7.2
165.12758	6.0
171.06500	3.1
173.04425	10.7
175.11189	11.1
177.12781	4.2
183.13809	6.3
187.13298	15.2
189.11201	3.3
189.12698	2.4
191.10666	2.2
193.12206	37.0
195.11977	2.6
195.13824	6.7
201.14830	3.7
211.13264	56.0
217.15875	1.7
227.12669	5.1
249.14812	2.5
257.17447	3.9
267.15933	16.0
269.17447	3.9
273.14722	3.1
277.14294	2.0
283.15448	2.8
285.17108	3.8
299.18634	4.1
301.14380	2.2
312.78702	2.4
327.17975	2.1
339.18100	7.5
375.17844	2.5
395.20587	3.4
417.26218	3.6
427.23108	4.0
435.27545	12.1
443.27917	2.1
451.30325	2.9
453.28372	17.0
461.29059	14.0
467.29849	10.9
479.30112	4.4
511.32629	14.6
579.31897	2.6
605.33063	3.7
623.34332	11.6
655.36591	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	2.9
53.03947	14.6
55.01868	13.5
55.05511	30.1
57.03445	19.8
57.07055	7.5
59.04992	3.6
67.05178	3.4
67.05505	57.4
69.03429	37.4
69.07052	12.4
70.74367	8.1
71.01350	6.6
71.04980	10.1
72.93848	2.5
73.02914	5.4
79.05492	44.2
80.60381	3.2
81.03413	100.0
81.07059	47.8
83.04980	34.0
83.08612	24.3
85.02907	27.3
85.06537	4.0
91.05474	39.4
93.07033	30.9
95.04965	37.6
95.08609	20.3
95.87759	2.8
97.02888	28.1
97.06518	11.1
97.10145	11.3
99.04426	6.3
105.07014	29.4
107.04985	15.2
107.08604	18.0
109.02870	15.5
109.06512	11.1
109.10155	21.4
111.04421	11.7
111.08063	9.3
115.03873	3.2
117.06995	9.8
119.08582	21.9
121.06425	5.7
121.10132	15.3
121.93237	2.9
123.04401	4.4
123.08053	6.0
123.11700	7.8
125.09641	12.9
127.03917	8.7
128.06219	4.0
129.05493	4.1
129.06987	9.8
131.04858	3.0
131.08569	19.8
133.06477	3.3
133.10123	15.7
135.04463	3.3
135.11649	5.8
137.06026	3.6
143.03389	2.8
143.08553	4.2
145.06490	4.0
145.10110	11.7
147.08099	3.8
147.11693	18.1
149.09628	7.7
153.08911	3.2
153.12642	4.0
155.10712	3.3
157.10129	14.7
159.11726	3.0
161.09697	3.7
163.11163	9.9
165.12723	4.7
173.04434	5.2
173.11746	3.6
175.11165	14.1
181.12183	3.1
191.10669	8.1
193.12219	36.5
209.11722	5.9
211.13261	38.5
227.12775	13.8
229.14287	10.9
231.13687	3.0
235.13353	3.2
249.14653	4.1
267.15924	13.8
280.52591	2.7
283.15411	5.6
285.17053	5.7
411.19949	3.0
411.27390	3.8
421.25558	7.2
439.27042	5.6
493.27783	5.4
509.85327	2.9
655.33020	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	655.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70099	1.0
65.84638	1.1
71.31966	2.3
92.65385	1.0
128.91034	1.2
132.08067	1.1
143.10541	0.8
158.09541	1.0
196.09808	1.3
197.10721	1.7
209.10616	1.1
210.11394	1.6
222.11546	1.3
223.12282	1.8
225.10225	1.4
225.13850	1.9
235.08508	1.2
237.10182	1.6
239.08405	1.3
239.11665	1.8
241.13203	1.3
249.10315	1.3
249.13687	1.1
251.08084	1.4
251.11807	1.3
253.13458	1.5
263.11646	1.4
266.14154	1.7
267.11526	1.0
269.12625	1.1
275.11652	1.1
328.14313	1.5
385.13672	1.2
417.17163	1.5
428.15982	1.9
432.19516	1.8
433.20551	1.1
445.16003	1.3
447.17133	2.1
447.21829	4.7
460.18643	2.9
461.19482	3.8
462.20334	1.8
463.21512	1.7
475.21423	13.5
476.22437	5.6
477.22583	3.6
489.22397	1.0
492.21536	1.6
493.21909	1.0
503.20090	4.7
506.19370	1.0
507.23425	1.1
533.22797	1.0
535.23340	9.2
537.21283	2.3
547.23041	2.2
549.24799	1.4
561.24219	1.4
562.25568	3.2
563.26807	7.2
566.28619	1.6
567.25653	2.8
577.23004	1.5
579.26410	2.0
590.24597	3.5
594.28369	5.7
595.25439	7.7
605.23950	2.2
607.25305	3.2
609.26367	3.3
622.27814	100.0
623.25610	8.3
627.27826	2.9
637.26636	5.3
638.26971	3.5
655.27466	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	655.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.2
55.01879	15.8
55.05513	28.8
57.03439	16.0
57.07063	7.9
58.41374	1.9
59.04981	2.4
61.02932	2.9
65.03927	4.2
67.05502	55.4
69.03433	31.1
69.07066	14.9
69.46885	13.1
69.47295	3.6
69.57713	1.9
70.06606	2.2
71.01357	2.1
71.04974	6.0
73.02897	6.4
79.05056	3.6
79.05492	38.8
81.03415	100.0
81.07053	43.9
83.04981	23.5
83.08616	24.7
85.02905	31.7
85.06517	3.6
91.05480	47.1
93.07038	30.5
93.11223	2.1
95.04961	37.8
95.08608	23.3
97.02882	33.7
97.06515	7.5
97.10167	11.6
99.04436	8.0
99.08058	2.1
101.02350	4.3
103.05454	3.8
105.07031	32.2
106.08205	1.6
107.04942	16.3
107.08601	16.3
109.02876	14.6
109.06506	8.6
109.10143	18.5
111.04440	13.7
111.08070	15.5
113.05959	2.1
115.05444	2.1
117.06985	10.2
119.04950	2.7
119.08604	19.5
120.08051	2.1
121.06503	7.8
121.10146	18.0
123.04437	4.1
123.08077	5.7
123.11720	4.7
125.06026	3.4
125.09629	10.4
127.03930	10.1
127.11208	2.8
128.06204	3.3
129.05466	6.8
129.07010	9.7
131.04907	4.0
131.08539	17.6
133.06453	6.0
133.10109	13.2
135.04353	3.2
135.08023	4.4
135.11688	8.5
137.05994	9.3
137.09627	4.0
139.11153	1.9
142.07784	3.7
143.03426	2.5
143.08546	3.5
145.05032	1.9
145.06448	3.1
145.10129	13.3
147.08058	5.6
147.11708	19.6
149.05946	2.6
149.09615	5.9
153.01807	6.3
153.12744	3.9
157.10144	12.0
159.07999	2.6
159.11697	2.8
161.09538	2.7
163.07605	2.6
163.11157	14.8
165.09084	2.7
165.12718	5.0
167.06975	3.1
167.08490	2.2
169.10100	3.0
171.06575	2.7
173.04431	4.5
173.09570	3.9
173.11754	4.7
175.07680	2.0
175.11203	13.9
181.12233	7.2
187.11215	3.1
189.11258	4.5
191.10660	6.5
193.08643	2.4
193.10623	3.6
193.12256	41.3
209.11717	8.8
211.13297	38.6
217.12192	2.2
227.10762	2.0
227.12817	11.9
229.14378	6.3
249.14937	2.6
255.15930	3.5
267.15948	11.8
273.14914	3.4
283.15387	5.4
285.17084	5.9
289.14233	3.0
353.15933	2.3
355.17603	3.1
374.05124	2.2
421.25674	2.8
439.26575	3.6
475.26614	4.2
493.27896	4.4
583.30878	2.5
637.31305	3.2
655.32660	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	653.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.9
55.01862	24.0
55.05512	75.2
57.03429	15.3
57.07085	6.1
59.04959	5.3
65.03933	12.0
67.05502	100.0
69.03415	13.9
69.07066	33.4
69.25853	70.7
71.04974	6.5
79.05489	89.6
81.03408	48.5
81.07056	86.6
83.04964	13.5
83.08611	24.5
85.06531	6.5
89.89992	5.5
91.05476	93.4
91.28829	6.0
93.07042	73.3
93.36404	5.4
95.01326	7.2
95.04443	9.1
95.04974	83.7
95.08599	66.7
97.02901	9.5
97.06525	10.7
97.10147	20.5
103.05450	8.3
105.07028	65.0
107.04953	19.1
107.08588	51.8
109.02850	14.7
109.06446	12.1
109.10165	34.4
111.04405	7.1
111.76270	6.7
115.05494	14.8
117.06995	35.0
119.04954	15.8
119.08584	35.6
121.02853	13.8
121.06491	18.6
121.10132	27.7
123.04394	9.8
123.08032	13.7
125.09615	24.1
128.06265	12.0
129.06993	26.4
131.04918	20.2
131.08528	35.5
133.06491	22.5
133.10126	26.3
135.08011	12.6
135.11659	10.1
137.05974	7.1
137.09726	5.6
137.80789	6.6
141.06972	14.6
143.08519	33.2
145.02980	6.1
145.06505	29.6
145.10121	27.1
147.04405	23.7
147.08025	16.2
147.11671	12.8
149.05957	9.2
149.09648	7.9
154.07706	6.8
155.08534	18.9
157.06444	13.6
157.10141	17.0
159.08028	10.9
159.11716	17.6
161.06001	35.8
161.09566	6.4
163.07570	7.1
163.11194	14.5
165.07002	6.8
167.08556	15.8
169.06433	6.5
169.10139	11.6
171.08023	12.1
171.11655	13.9
173.05960	26.3
173.09607	9.1
173.13234	8.9
175.07425	8.6
179.08498	9.3
181.10185	10.6
183.08060	9.2
185.09496	9.6
185.13330	7.0
187.07504	10.2
189.05420	36.6
189.09041	6.7
189.11189	8.7
191.06990	7.8
193.10187	9.0
193.12270	7.8
195.11758	15.9
197.09612	7.0
197.13304	10.8
199.07610	7.3
205.10295	6.8
207.11566	8.0
209.09557	8.8
216.09221	9.2
219.11725	5.8
221.13277	7.4
223.11232	9.8
237.12625	10.2
243.13910	8.1
255.13841	9.6
257.15506	6.4
271.13391	10.3
271.91946	7.4
273.14774	43.3
283.13251	14.8
285.14752	12.4
289.14410	16.0
301.14337	75.2
319.15207	11.7
335.25790	22.2
339.15622	7.7
351.23511	5.8
359.18527	7.1
361.63992	6.4
375.18365	13.0
543.34467	9.0
561.36023	7.6
607.39789	9.1
617.38544	13.5
623.39099	15.3
635.39398	75.4
653.29865	9.6
653.40454	93.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	13.8
55.01871	13.1
55.05507	32.1
57.03433	11.7
57.07065	3.4
59.04996	4.8
65.03942	6.7
67.05502	73.9
69.03421	29.7
69.07072	16.9
70.41661	9.5
71.04990	65.4
73.02910	3.0
79.05488	60.0
81.03414	95.4
81.03862	6.9
81.07053	100.0
83.01334	7.1
83.04986	32.4
83.08623	18.0
85.02915	19.1
85.06550	11.4
91.05473	64.7
93.07044	60.5
95.04964	28.2
95.08601	29.4
97.02890	19.2
97.06530	10.3
97.10181	5.9
98.21440	5.0
99.04468	11.2
99.08105	3.9
105.07024	33.4
107.04964	15.4
107.08600	30.5
109.02869	24.6
109.06511	11.7
109.10159	12.1
111.04446	14.1
117.07024	15.4
119.08587	15.5
121.06488	7.5
121.10127	17.3
123.08057	11.0
123.11744	11.5
125.09611	4.6
127.03910	13.3
129.06984	6.6
131.08546	13.0
133.06479	3.8
133.10132	23.2
135.07991	3.7
135.11667	20.6
138.70334	3.2
145.10107	20.4
147.08018	5.9
147.11681	14.0
149.06017	3.9
149.13243	9.7
151.11191	10.4
153.12711	6.2
157.10013	4.8
159.11707	12.2
163.11172	27.8
173.04480	11.3
173.09657	7.4
173.11717	4.2
177.12694	8.8
181.12160	6.9
183.13873	7.6
187.13281	16.9
191.10614	4.4
193.12302	9.7
195.13876	9.4
201.14859	7.0
209.11761	11.4
211.13205	4.6
227.12859	12.5
241.14542	4.7
281.17404	6.9
283.15485	10.5
297.16983	4.2
339.18073	10.5
435.27295	3.7
451.27087	16.0
465.28592	6.4
477.28073	4.1
484.48965	4.1
509.30951	4.9
621.32556	9.8
653.35394	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3526
Annotation	Withanoside III
Peak:m/z	Relative Intensity
50.40961	6.0
51.73532	5.5
53.03932	10.3
55.01845	8.0
55.05514	36.4
57.03424	14.8
63.93360	4.5
65.26050	4.7
67.05182	5.0
67.05505	71.9
68.05834	4.5
69.03410	18.4
69.07054	16.9
71.04981	10.1
76.20045	5.7
79.05490	71.2
81.03418	100.0
81.07062	62.4
83.04980	42.5
83.08601	28.5
85.02914	24.2
91.05479	82.9
93.07038	74.3
95.04966	44.6
95.08610	26.7
97.02880	19.2
97.06525	11.3
97.10143	7.2
105.07028	49.4
107.04928	12.1
107.08601	28.2
109.02863	12.8
109.06478	11.9
109.10159	15.4
111.04438	12.4
111.08073	13.4
111.67023	5.3
117.06991	13.6
119.08587	35.4
121.06538	6.8
121.10136	14.5
123.08080	8.4
127.03895	8.3
129.05475	6.4
129.06979	26.3
131.08582	13.5
133.06454	5.5
133.10110	19.3
135.11699	6.2
137.28625	5.1
143.08527	8.4
145.10117	16.7
147.08006	6.6
147.11678	43.7
149.09586	4.9
157.10149	16.9
159.11810	5.5
161.13205	11.7
163.11079	10.9
165.12856	5.5
171.11681	21.0
175.11186	8.6
181.12225	7.1
189.12770	8.6
193.12253	46.9
207.13864	30.9
211.13258	58.3
227.12872	5.8
267.15933	31.5
281.17465	54.5
284.70251	5.0
285.16928	12.8
287.16647	6.5
355.17471	5.9
359.00870	5.0
429.21045	16.9
473.28955	63.8
490.58456	5.5
491.29810	20.0
545.30743	5.9
635.34308	41.1
653.34033	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	653.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.1
53.37691	2.4
55.01870	23.7
55.05510	34.5
57.03435	18.2
57.07077	8.4
59.04990	4.9
61.57902	2.1
62.25575	2.2
65.03933	6.4
67.05502	62.5
69.03428	36.0
69.07072	16.8
69.37955	1.9
69.92941	8.3
69.93353	5.8
71.01362	5.2
71.04984	15.4
73.02926	3.5
79.05152	1.2
79.05491	57.8
81.03415	100.0
81.07053	55.7
83.01343	5.0
83.04978	28.7
83.08625	19.2
85.02901	23.0
91.05481	51.1
93.07042	44.3
95.01315	2.7
95.04973	33.1
95.08600	25.4
97.02894	39.0
97.06528	12.1
97.10172	16.0
98.07307	2.5
99.04460	9.6
99.08053	2.4
105.07021	29.7
107.04954	22.4
107.08591	27.9
109.02879	22.0
109.06505	10.7
109.10144	15.9
111.04414	14.6
111.08102	7.2
113.06051	2.8
115.03952	2.3
115.05457	3.8
117.07054	17.5
119.08578	22.6
121.06525	6.0
121.10162	18.3
123.04441	8.8
123.08098	8.8
125.02235	2.6
125.05959	2.4
125.09636	15.1
127.03905	14.4
128.06270	3.1
129.05495	3.9
129.07018	9.3
131.04950	2.6
131.08582	16.1
133.06517	4.7
133.10144	14.1
135.04419	5.6
135.08096	8.3
135.11687	16.4
137.06013	4.8
137.09639	4.9
142.07800	2.7
143.03342	2.9
143.08611	4.5
143.10727	2.3
145.06467	4.3
145.10123	16.8
147.04485	3.7
147.08041	7.7
147.11688	13.7
149.05911	3.2
149.09641	7.5
149.13284	3.7
151.11177	3.1
153.12772	6.5
155.08589	2.9
157.10098	6.7
159.11768	3.6
161.09572	3.5
163.11174	26.8
165.12677	3.0
167.06981	3.5
171.11632	3.3
173.04475	6.6
173.09659	4.4
173.11829	3.1
175.11214	4.6
181.12253	8.9
187.11285	2.9
189.11237	3.9
189.12750	3.4
191.10661	10.4
193.12202	11.8
199.06111	2.8
199.13293	3.5
209.11667	13.7
211.13312	7.3
223.13330	2.3
227.12732	18.8
253.14011	2.5
267.16080	3.8
281.17554	3.0
283.15375	17.3
353.15866	6.0
437.25336	3.7
473.28729	3.2
635.31494	3.0
653.31494	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42658	2.2
56.67850	2.3
56.92770	2.3
57.07058	3.4
68.15752	2.2
71.01463	2.1
112.29220	2.6
115.68924	2.2
117.54994	2.2
118.58016	2.2
133.35223	2.4
158.65968	2.4
284.96997	2.4
295.69830	2.7
327.15842	3.2
337.02448	3.9
337.06686	2.4
360.54990	2.4
493.25668	6.1
581.24622	3.2
637.30438	5.3
653.34698	100.0
654.35199	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	651.41
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76971	4.3
53.03934	9.6
55.01860	5.6
55.05513	31.6
57.03432	9.1
67.05176	7.4
67.05507	100.0
69.03425	24.2
69.07063	14.5
71.04994	6.3
71.58640	9.4
79.05490	32.0
81.03423	54.7
81.07060	59.8
83.04982	19.1
83.08611	9.9
85.02885	9.0
91.05486	24.8
93.07040	36.7
95.04932	7.4
95.08601	47.6
97.02890	23.8
97.06525	4.5
97.10150	18.2
99.04472	6.1
105.07033	22.5
107.08579	22.2
109.02895	8.0
109.10172	50.8
111.04472	6.8
117.07020	10.5
119.08588	22.5
121.10165	16.2
123.11711	7.1
125.09629	12.8
127.03909	6.0
129.05458	14.5
129.06966	7.3
131.08571	15.2
133.06468	4.8
133.10117	13.4
135.08057	6.0
143.08435	5.7
145.10117	13.0
147.11674	6.2
149.13269	10.0
157.10106	6.5
159.08119	4.9
159.11670	10.6
169.10159	7.9
173.11723	16.2
173.13121	7.4
189.11215	17.2
199.14832	7.0
227.12737	23.9
229.14410	23.7
266.85953	4.5
319.82916	4.9
335.26059	6.1
337.27310	9.6
369.24246	10.6
633.40247	8.4
651.40662	17.0
665.16718	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	652.114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
56.56050	0.3
57.03427	0.8
67.22483	0.4
69.03432	6.4
71.04987	0.5
71.33887	0.6
73.02910	0.9
78.86902	0.4
81.03419	2.3
85.02914	5.4
97.02866	0.6
98.21088	0.5
99.04451	1.3
103.05466	0.6
105.91125	0.4
109.02851	1.0
112.39536	0.4
127.03918	6.8
128.25699	0.4
147.04419	0.6
153.01813	3.0
154.02176	0.9
157.02858	0.5
170.11954	0.4
175.03912	1.5
185.02365	1.1
187.03906	3.4
196.32684	0.4
201.01743	0.5
203.03346	2.0
213.00096	0.4
213.01811	2.3
215.03377	3.3
219.02776	0.5
229.01343	0.6
231.02884	16.2
232.03166	0.5
241.01332	2.4
247.02345	1.2
259.02383	28.8
260.02756	0.7
274.89935	0.4
275.01868	1.0
276.02673	1.4
277.03430	100.0
278.03809	2.0
286.56384	0.4
303.01343	16.8
303.04816	1.0
304.01886	0.6
321.02408	4.6
355.27881	0.4
357.06400	0.5
363.03445	3.6
385.05466	1.1
411.03482	0.4
429.04230	0.7
465.06638	8.1
487.75241	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.2
55.05506	36.6
57.03432	8.8
57.07054	5.4
57.15629	3.9
67.05499	100.0
69.03416	24.6
69.07072	18.8
70.05880	18.9
71.04984	10.0
77.27143	4.2
79.05487	39.4
81.03413	79.6
81.07052	73.9
83.04971	35.7
83.08617	18.6
85.02901	6.3
85.06527	5.4
91.05464	31.4
93.07043	39.5
95.04972	7.5
95.08595	41.5
97.02871	23.8
97.10173	23.3
99.04427	7.9
105.07022	30.9
107.04917	7.5
107.08575	28.9
109.02886	11.2
109.06535	4.9
109.10155	55.0
111.04446	7.1
111.08039	7.2
117.07018	8.8
119.08594	20.1
121.10127	19.5
123.11709	6.7
125.09608	14.9
127.03941	10.7
129.05481	12.3
129.07014	8.1
131.08543	13.2
133.10098	12.3
135.08012	6.0
135.11674	11.1
143.08551	7.1
145.06531	4.6
145.10107	11.6
147.11679	14.0
157.10182	8.0
159.11710	8.6
161.13261	6.5
163.14813	5.4
169.10126	5.9
173.11723	17.8
173.13147	7.3
175.11295	4.2
189.11186	19.9
200.50803	4.7
223.14943	4.1
227.12648	20.1
229.14348	19.4
243.21109	4.5
245.13774	4.2
261.22202	7.4
263.23669	5.3
301.21576	5.2
335.25803	13.4
337.27353	16.9
351.23322	5.4
369.24353	8.4
371.17242	5.1
373.18814	7.8
381.85287	4.2
387.25180	6.0
450.31033	4.9
489.35770	6.3
507.36472	5.1
633.39740	11.2
651.41156	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	651.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.5
55.01862	6.6
55.05502	39.3
57.03424	11.6
57.07067	7.7
64.95490	2.6
65.03942	3.5
67.05502	100.0
69.03429	26.4
69.07064	19.2
69.47811	15.6
69.48217	6.5
71.04977	9.2
71.08623	4.1
74.78696	2.6
79.05493	39.4
81.03415	69.3
81.06583	4.7
81.07051	70.4
81.07520	3.6
83.04975	28.7
83.08612	19.0
83.14455	2.5
85.02899	7.2
85.06532	5.1
91.05480	28.8
91.40233	2.6
93.07048	39.1
95.04972	10.2
95.08604	49.9
97.02875	24.2
97.06512	4.9
97.10155	16.2
98.21506	3.8
99.04437	4.5
105.07030	19.8
107.04951	6.5
107.08598	24.0
109.02863	11.3
109.06489	4.9
109.10143	52.1
111.04433	7.4
111.08095	4.8
117.07018	9.3
119.08576	21.6
121.06551	4.3
121.10155	16.2
123.11727	8.6
125.09637	16.3
127.03902	10.6
129.05501	14.4
129.07021	6.9
131.08551	14.9
133.10100	16.7
135.08022	4.6
135.11679	7.6
137.13235	3.4
143.08560	9.3
145.10138	13.9
147.08051	4.1
147.11678	9.7
149.13248	6.5
155.08604	4.7
157.10088	7.8
159.11691	10.2
161.09633	3.2
161.13289	3.9
163.11168	4.8
165.09109	3.6
171.11674	4.4
173.09579	4.0
173.11751	15.1
173.13202	6.7
175.11244	4.0
175.14890	4.4
184.07431	4.9
185.13275	4.0
189.09691	3.5
189.11192	22.5
195.11656	3.1
197.13211	3.4
199.14847	3.9
227.12730	16.9
229.14383	21.2
238.16843	3.5
261.22220	7.0
263.23755	4.2
299.14935	2.9
335.25974	15.6
337.27307	13.6
351.23196	5.5
369.24213	7.6
371.16949	9.7
373.18552	5.6
387.25150	6.3
443.27859	4.1
489.35513	6.2
500.25247	3.1
507.36832	7.6
597.37689	4.3
615.39264	4.4
633.39563	12.3
649.58057	3.8
651.40503	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	651.3349
Annotation	Strychnogucine C
Peak:m/z	Relative Intensity
50.87291	0.7
52.59908	0.7
52.93708	0.8
53.03945	1.5
55.05502	2.9
55.19020	0.8
57.03436	2.1
61.02912	3.4
67.05219	0.7
67.05509	7.6
69.03445	1.7
69.07058	2.3
69.60934	5.2
71.04988	1.7
73.02911	2.5
79.05482	5.1
81.03409	4.6
81.07066	6.9
83.04978	1.7
83.08625	1.8
85.02919	4.4
91.03947	2.1
91.05477	4.6
92.03689	0.9
93.07047	7.8
95.04985	1.7
95.08620	4.4
97.02888	5.3
97.03422	0.8
97.06529	1.7
98.21412	1.0
99.04471	1.0
101.02404	1.2
105.07016	2.2
107.08610	4.8
108.91427	0.8
109.02870	0.9
109.10164	1.4
111.04486	0.8
111.08099	0.9
115.76466	0.8
117.07036	1.3
119.08603	1.4
121.10163	3.1
123.08037	1.1
127.03938	2.1
129.07008	0.8
131.08580	1.3
133.06467	0.8
133.10150	1.3
135.11696	3.8
142.07758	1.0
145.10126	1.8
149.13251	1.6
159.11734	1.2
163.11069	0.8
168.07085	0.8
193.12251	1.1
203.05518	0.8
211.13326	1.3
235.13165	1.0
243.08414	1.9
349.66168	0.8
439.19580	6.2
453.20850	6.0
474.77386	0.9
474.84604	1.0
507.33826	1.1
651.33429	100.0
652.33862	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	651.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60039	2.8
53.03940	6.2
53.80696	3.5
55.05512	23.5
57.03429	7.9
57.07065	5.7
60.79678	3.1
65.21997	3.5
67.05499	100.0
69.03424	22.1
69.07057	15.5
70.15913	6.1
70.16312	5.6
71.04995	7.1
79.05489	34.5
81.03410	46.0
81.06584	4.3
81.07050	56.1
83.04974	18.0
83.08611	12.2
85.02885	5.7
85.06518	3.6
91.05454	29.8
93.07037	36.1
95.04964	14.1
95.08607	38.2
97.02880	16.1
97.06558	4.6
97.10155	13.2
99.04411	4.5
99.08072	4.1
105.06996	18.5
107.04928	8.7
107.08580	18.7
109.02885	9.6
109.06499	7.6
109.10155	49.9
111.04410	9.2
117.06987	11.9
119.08576	25.4
121.06490	4.5
121.10127	13.7
123.08109	4.8
123.11691	5.4
125.09567	15.7
127.03941	6.2
129.05458	11.4
129.06973	5.9
131.08545	13.6
133.06444	4.0
133.10158	10.4
135.08067	5.9
135.11664	10.6
137.09608	4.4
143.08557	7.2
145.10117	11.3
147.08020	3.9
147.11633	9.0
149.09608	3.9
149.13205	4.7
157.10103	4.2
159.11694	8.6
161.13248	4.4
171.11665	5.4
173.11714	13.7
173.13158	4.1
180.18687	3.2
184.07320	7.9
185.13260	4.6
189.11220	10.8
194.55928	3.2
213.12610	3.3
227.12689	15.6
229.14343	18.2
245.14012	3.7
261.22250	5.2
299.14618	3.4
301.21338	4.8
326.48923	3.4
335.25897	6.0
337.27228	12.5
345.24124	3.8
351.23026	4.3
369.24219	6.7
371.16806	5.3
373.18295	5.1
479.29883	8.1
527.55206	3.7
615.38879	4.8
633.39484	10.1
651.42548	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	650.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.6
56.37917	0.4
58.06612	0.4
60.08163	6.0
67.05496	0.8
67.81198	0.4
71.07369	3.1
71.45657	0.4
71.58281	0.5
71.58733	0.6
86.09702	27.3
89.00237	0.4
98.98454	2.6
104.01057	0.4
104.10750	2.1
109.10171	0.6
124.99998	19.0
133.10133	0.5
143.00983	0.6
184.07333	100.0
203.74034	0.4
262.35831	0.4
638.68658	0.5
650.43817	4.8
651.33337	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88691	1.5
57.07098	1.5
60.08147	7.5
67.05498	2.6
69.03416	1.8
71.07376	2.2
71.58778	2.4
72.40115	1.5
79.05479	2.1
81.07034	2.2
83.04962	2.0
86.09708	35.4
87.10047	4.6
93.07085	2.0
95.08620	2.7
98.98463	5.1
104.10759	2.6
107.04938	4.0
121.10212	2.2
125.00010	25.2
161.96223	1.8
184.07344	100.0
185.07715	16.2
195.73065	1.6
491.23901	4.7
651.33081	55.0
651.43994	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	651.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28083	0.8
53.03932	1.8
55.01883	0.9
55.05500	2.6
57.03424	2.0
61.02915	3.6
62.84213	0.9
63.16843	0.9
67.05495	6.8
69.03417	3.2
69.07063	2.5
71.04948	1.0
71.58209	1.1
73.02905	2.4
79.05491	6.2
81.03415	5.3
81.07062	7.0
83.04972	2.1
83.08599	1.5
85.02895	3.4
91.03931	1.1
91.05439	4.1
93.07045	7.3
95.04933	1.4
95.08597	3.9
97.02927	4.3
97.06509	1.3
97.10180	1.4
101.02358	1.5
105.07027	2.8
107.08588	4.9
109.02865	1.3
117.07060	1.6
119.08561	1.1
120.53676	0.9
121.10169	2.1
127.03914	1.9
131.08585	2.3
133.10083	1.6
135.11674	5.0
145.10117	1.6
153.01799	1.5
159.11684	1.7
163.11151	1.4
177.12785	1.1
193.12323	1.3
221.11536	0.9
243.08484	1.7
391.60239	0.9
407.12741	0.9
439.19360	8.5
453.20963	7.1
651.33429	100.0
652.33923	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	648.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	27.1
53.45003	11.9
55.01863	31.7
55.05499	54.6
59.51075	15.3
61.16366	12.8
67.05491	57.0
69.07040	29.4
71.58615	16.3
79.05490	69.5
81.03398	42.3
81.07044	51.5
83.04966	30.8
83.08609	19.8
88.09324	12.2
91.05448	60.7
93.07033	82.4
93.28113	11.2
95.04963	61.8
95.08602	34.1
97.10127	16.0
105.07006	33.8
107.04936	100.0
107.08605	26.0
109.06509	15.8
109.10144	24.3
115.05469	14.1
119.08572	21.2
121.06490	40.6
125.09570	24.0
133.10181	19.7
137.09578	50.4
139.07541	24.0
139.11159	23.9
149.09550	16.8
181.94308	12.6
193.12285	36.1
289.17813	13.8
291.19595	16.7
293.21030	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
55.05510	1.5
56.96565	55.5
64.02328	0.9
65.81169	0.9
67.05507	4.9
68.05904	0.9
69.03443	1.3
69.07059	2.1
70.78265	3.2
71.95255	3.9
79.05476	3.5
81.03408	3.4
81.07054	4.3
83.04980	0.9
87.83989	0.9
91.05471	3.3
92.98649	1.1
93.07025	2.3
95.04974	1.0
95.08617	1.5
97.10142	0.9
99.04460	1.0
105.00155	2.1
105.07019	3.0
107.04974	2.7
107.08581	1.9
109.10146	2.6
119.08565	2.5
121.10117	1.8
123.01200	6.8
125.09649	1.5
131.08527	1.9
133.10120	2.0
139.00636	1.8
141.02202	9.0
143.08615	0.9
145.10173	2.3
146.02817	0.9
147.11673	1.1
149.03079	0.9
149.09648	1.4
157.01723	5.0
159.03323	1.4
159.11630	1.1
164.03848	1.1
169.01755	1.0
169.05359	2.2
169.10110	1.3
171.03285	3.1
175.02737	0.9
177.02257	4.8
183.03316	1.3
189.04376	1.1
195.03293	52.3
195.06956	4.2
197.08450	5.5
213.04344	100.0
218.04872	8.4
223.06378	2.5
231.05408	16.8
236.05913	10.8
241.07477	11.7
259.08530	12.3
264.08969	1.9
275.20383	1.2
281.42322	0.8
282.10217	1.2
292.37460	1.0
299.13110	1.7
315.09027	1.7
317.14224	5.8
335.15305	2.4
343.12253	17.6
347.80634	0.9
361.13196	40.9
362.13660	1.9
379.14227	19.9
384.14883	11.1
389.16245	2.7
402.15924	2.1
471.02408	0.9
509.02399	1.0
647.37640	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	647.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04013	0.7
56.96563	57.6
61.63617	0.6
67.05502	3.1
69.07068	1.3
71.04996	0.7
71.33168	1.2
71.95262	5.2
74.97604	2.8
79.05464	1.9
81.03408	1.0
81.07039	2.6
84.96032	0.7
85.41066	0.6
91.05492	1.3
92.98634	6.9
93.07053	1.5
95.08593	1.2
97.06505	0.9
99.66144	0.6
105.00198	0.8
105.07021	1.4
107.04935	2.0
107.08570	1.0
107.97304	0.7
109.10136	1.5
110.99694	1.5
116.00217	1.2
119.08584	1.2
123.01183	1.0
133.10089	1.0
134.61934	0.7
139.00658	1.5
141.02246	1.3
153.02235	3.5
157.01698	4.5
159.03275	1.9
163.11113	0.9
167.03854	0.8
169.05249	0.8
171.03333	3.7
175.02794	1.6
177.02122	6.0
189.04292	1.5
195.03287	56.4
197.04947	0.7
201.04271	1.1
213.04338	100.0
214.04733	1.4
218.04877	9.6
218.06830	1.1
229.07455	2.0
231.05409	16.7
236.05939	10.3
239.09698	1.6
241.07463	4.2
241.22087	0.7
254.06941	0.7
257.10590	1.9
259.08533	8.4
264.09039	0.9
275.20111	1.7
299.12851	1.0
305.86487	0.7
315.09012	3.0
317.14255	2.3
333.10022	1.5
343.12204	5.1
361.13190	42.1
362.13458	1.5
379.14288	22.2
384.14822	10.6
402.15829	2.4
407.17523	1.4
466.97055	0.7
647.37817	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	646.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01878	1.6
55.05513	7.8
57.03437	10.2
57.07074	1.6
61.02913	2.9
65.03919	1.6
67.05502	32.1
69.03428	2.1
69.07070	12.3
70.18922	2.5
70.19337	2.1
71.01335	1.5
71.04990	2.7
79.05494	26.2
81.03410	2.8
81.07056	34.4
83.04974	4.8
83.08618	5.8
85.02902	2.9
85.06541	2.6
91.05479	12.0
93.07043	37.0
95.04950	4.0
95.08611	10.0
97.02880	2.2
97.06528	8.1
97.10170	4.9
98.20787	0.9
99.04455	1.4
99.08129	1.2
102.76855	0.8
105.07048	5.2
107.04956	1.4
107.08597	23.0
109.06528	1.8
109.10162	3.7
111.08086	2.4
117.07024	5.0
119.08592	4.2
121.06461	1.2
121.10143	8.1
125.09606	1.3
127.03954	1.3
131.08569	3.0
133.10097	4.2
135.08047	1.5
135.11697	23.6
137.09631	1.1
139.38098	0.8
145.10117	3.8
149.02356	1.3
149.13269	10.6
159.11685	5.5
163.11197	2.9
177.12747	2.2
181.12163	5.1
195.13815	4.6
255.15904	35.0
269.17474	27.1
286.81271	1.0
294.60654	0.9
429.11697	1.5
431.27664	1.3
449.28976	100.0
450.29092	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	646.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.05511	4.0
57.07073	15.2
57.45266	1.5
63.12737	1.4
67.05505	11.4
69.07054	5.6
71.03398	1.3
71.08633	11.5
71.12265	1.3
71.57515	2.7
79.05499	5.0
81.03417	36.2
81.07052	11.9
83.08618	10.2
85.10165	5.4
91.05479	7.4
93.07037	2.1
95.04982	9.9
95.08586	8.7
97.10165	3.0
105.07010	6.8
107.04924	1.8
107.08579	3.1
109.10161	7.5
111.08057	2.9
119.08559	4.9
121.06509	1.5
121.10140	3.3
123.11741	2.5
129.06993	4.6
131.08554	2.5
133.10081	2.1
147.11703	1.6
149.09630	1.7
157.10085	4.1
163.86334	1.2
175.11224	3.2
191.30434	1.5
193.12210	8.0
236.16368	3.2
239.23564	3.7
249.14742	2.1
256.72861	1.5
282.28030	2.0
451.81757	1.5
505.38849	100.0
506.38870	1.5
587.90558	1.6
647.30383	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77097	1.0
71.31127	0.9
126.73568	0.9
137.77884	1.0
142.36510	0.9
174.72429	1.0
301.58902	0.9
355.88220	1.0
379.24786	1.1
418.21213	1.3
429.16986	2.2
431.18240	1.6
433.23792	4.4
443.18512	1.2
444.19312	3.5
445.20123	3.3
459.21753	30.6
460.22577	7.6
461.23254	4.6
469.98694	1.2
472.22797	0.9
473.23071	2.5
503.58420	1.2
505.25784	1.1
519.23505	6.4
531.23810	2.1
547.26959	15.7
574.25464	1.9
591.25769	2.2
606.28339	100.0
607.28552	6.2
617.25470	2.2
630.03369	1.3
646.30255	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	646.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.4
56.05026	1.0
58.06606	0.4
60.07881	0.4
60.08161	6.6
60.28404	0.3
64.44370	0.3
67.05500	1.6
68.07248	0.4
69.07074	0.3
71.07365	2.8
79.05474	0.9
81.03395	0.7
81.07040	1.3
83.08608	0.4
86.09704	33.1
91.05461	0.8
93.07024	1.1
98.51221	0.3
98.98453	3.0
100.89478	0.3
104.10746	3.2
105.07003	0.3
107.08571	0.7
116.99430	0.4
119.08566	0.5
121.10126	0.5
125.00001	20.4
131.20972	0.3
133.10178	0.5
135.11668	0.4
143.00967	0.4
184.07333	100.0
185.07655	0.9
229.86639	0.3
269.17508	0.4
385.09134	0.4
431.27844	0.4
449.29169	2.3
465.67188	0.4
467.29984	0.4
547.60229	0.4
646.36957	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	645.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17507	1.7
53.03934	5.2
54.43341	1.5
55.01864	9.1
55.05512	22.6
56.64286	1.6
57.03436	3.6
57.07067	6.9
59.04983	4.5
67.05176	2.3
67.05507	32.4
69.03416	9.0
69.07066	49.6
71.04989	5.2
71.08611	2.4
71.57860	1.7
71.58234	3.5
73.02920	2.3
79.05062	3.2
79.05492	40.4
81.03409	11.9
81.07055	100.0
82.07375	2.1
83.04965	3.9
83.08214	2.0
83.08620	22.1
85.02904	15.0
85.06536	14.2
91.05481	26.2
93.07042	71.3
93.07636	3.7
93.94399	1.7
94.07384	2.1
95.04971	14.0
95.08607	79.8
97.02887	5.5
97.06535	13.3
97.10168	6.8
99.04459	3.0
99.08099	6.2
101.02424	2.2
103.05478	3.9
105.04514	1.9
105.07026	14.0
107.04936	6.8
107.08588	28.6
109.02875	7.0
109.06515	5.3
109.10157	31.0
111.08070	20.4
111.11716	13.7
113.10821	1.9
117.07055	3.5
119.08599	10.1
121.06500	13.1
121.10161	16.8
123.08086	3.3
123.11720	32.5
125.06002	1.8
125.09582	2.0
125.13277	4.2
127.03906	7.9
127.11202	5.2
129.07022	2.5
131.08517	5.0
133.10156	6.2
135.08072	3.5
135.11681	13.6
136.07515	2.1
137.05969	4.4
137.09602	4.4
137.13243	22.9
139.07536	23.6
139.11177	3.4
141.06976	2.6
141.74556	1.8
143.08528	2.2
143.79459	2.1
145.04974	3.2
145.06467	2.5
147.08058	2.2
147.11684	4.6
149.05913	2.4
149.09644	2.3
149.13258	29.0
151.07535	2.3
151.14865	4.3
153.01784	2.3
153.12741	13.8
155.14288	5.6
157.08623	3.6
157.09995	1.8
161.13235	4.9
163.07549	4.7
163.14859	9.9
167.07036	15.0
167.14307	5.9
168.07430	2.6
170.39281	1.7
171.13770	4.2
173.05933	2.1
173.15385	5.0
175.14832	1.9
177.16322	2.6
179.14296	2.2
181.04924	7.0
182.05298	2.4
184.07402	2.1
189.09117	2.2
191.07007	3.2
191.17824	1.9
194.23360	2.0
205.08562	2.6
235.20631	2.5
253.21741	3.2
265.10785	4.3
273.25674	2.0
279.26852	7.8
283.11765	4.1
291.26663	14.2
297.27908	5.1
309.24640	3.0
309.27850	25.6
314.27338	2.1
314.42642	1.8
315.29321	2.7
327.25369	9.0
327.28754	3.2
345.30170	2.8
406.84256	1.8
417.15103	2.1
419.15970	2.6
489.22308	2.2
490.19324	2.4
645.35052	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	645.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52102	1.1
53.03936	1.4
55.01886	1.3
55.33241	1.5
62.05658	1.4
67.05504	5.6
69.07039	1.9
71.09948	2.4
79.05497	3.6
81.03392	1.9
81.07040	3.9
91.05472	3.1
93.07037	7.5
94.06580	9.4
95.04980	2.7
95.07370	6.5
95.08604	2.4
96.08134	12.0
97.06526	1.3
103.05480	2.1
105.07009	1.5
108.04465	2.0
108.08112	8.3
109.06541	1.4
109.08893	1.7
110.09673	23.1
119.08639	1.2
120.04443	1.7
120.08105	14.0
121.10153	2.3
122.06013	12.1
131.04892	1.7
132.04417	1.3
135.06778	1.3
136.07579	7.6
138.09142	27.5
148.07596	5.0
149.06062	1.3
150.09145	1.9
152.07056	2.3
160.03909	7.8
164.07094	4.7
166.08629	35.5
167.07013	4.7
172.03973	1.7
178.04980	2.9
181.04929	2.7
188.38982	1.3
191.07039	3.0
199.08661	1.8
209.10527	1.3
211.08673	3.5
211.12315	2.3
212.09328	2.2
213.10124	2.2
221.10776	1.8
222.11418	1.8
223.08684	4.3
223.12193	2.4
224.09450	1.7
225.10217	13.8
226.11005	6.5
227.11780	4.6
235.06429	1.2
235.08636	2.3
235.12399	2.1
237.10202	7.2
237.13837	2.1
238.10963	4.5
239.08154	6.5
239.11787	13.3
240.12584	3.9
249.10181	7.2
250.11008	5.9
251.08107	4.5
251.11841	16.2
252.09079	2.0
252.12532	3.5
253.09700	5.7
253.13383	11.9
254.10519	12.0
255.11028	2.0
255.14742	2.3
263.11823	10.4
264.09222	1.4
264.12561	7.7
265.09766	5.1
265.13348	15.1
266.10645	3.3
266.13889	2.1
267.11270	5.6
267.14786	1.8
269.12604	2.1
271.10971	2.0
277.09659	2.2
279.07245	1.5
279.11292	5.6
281.12891	11.7
282.13513	3.2
283.10822	3.9
283.14496	4.9
285.12332	11.1
291.11270	3.2
293.12762	6.3
294.13593	2.2
295.10812	4.7
295.14240	1.6
296.11597	3.4
297.12347	5.7
299.13913	12.0
309.12299	64.7
310.12820	3.4
311.13895	18.9
319.10806	2.8
321.12259	5.1
325.11923	2.1
326.12628	1.6
327.13382	100.0
328.13879	3.5
337.11807	11.4
338.12427	3.1
339.13400	11.1
341.14984	4.4
357.14456	5.1
358.15143	2.4
359.15997	12.0
369.14453	35.7
370.15091	2.9
371.16000	26.2
372.16373	1.4
404.19540	2.7
416.19638	5.5
430.17892	6.3
432.19159	15.0
442.17529	2.2
448.18631	26.1
460.18704	40.5
474.20416	4.2
480.21313	27.5
492.21274	59.2
492.28494	3.0
493.21414	3.1
595.25244	1.9
613.26221	4.1
645.35382	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	5.1
65.03919	4.8
67.05503	13.5
69.03435	6.5
69.07072	10.0
69.88647	20.1
72.43031	3.4
79.05505	14.4
81.03400	8.6
81.07043	22.6
81.69154	3.7
85.02913	6.7
85.06512	3.8
91.05477	13.7
93.07039	22.6
94.06556	21.0
95.04960	8.0
95.07379	7.0
95.08624	13.4
96.08116	25.9
97.06542	7.4
103.05492	6.2
105.07043	12.2
106.06561	8.6
107.01353	3.6
107.04973	6.5
107.08589	9.5
108.08111	33.5
109.02868	6.9
109.10148	6.5
110.09691	42.3
111.04482	3.6
115.05473	3.5
119.08618	6.3
120.04439	4.9
120.08106	31.4
121.08910	3.8
121.10211	4.1
122.06042	18.1
122.06829	3.7
124.07585	15.4
127.03928	9.0
131.04919	4.1
131.08615	5.6
134.06049	9.4
136.07576	63.1
136.08549	5.3
137.06012	9.5
138.09129	55.1
144.04485	6.3
146.05992	11.8
148.07568	29.5
148.58647	4.3
150.05563	4.2
150.09187	13.6
152.07050	38.5
153.01863	17.4
153.05426	4.1
161.06038	6.5
162.05518	4.4
163.07574	6.5
164.07065	13.7
166.08644	69.1
167.07074	23.6
171.03027	4.7
172.03914	29.0
173.06056	4.5
177.05510	4.3
181.05002	13.3
190.04973	27.7
191.07092	17.3
195.10330	3.9
198.11586	8.7
204.06569	49.6
209.08313	6.3
209.10797	3.6
210.11572	14.4
211.12347	19.5
212.13242	4.2
213.10330	6.5
223.12328	15.7
224.09323	4.0
225.10168	29.5
226.10994	22.6
227.11781	8.9
235.08783	5.9
237.10249	30.9
238.11055	22.5
239.11742	27.5
247.09444	5.1
249.10298	11.8
250.11008	9.9
251.08302	8.2
251.11826	39.5
252.08945	5.1
252.12447	9.5
253.09743	10.9
253.13426	12.4
256.12036	11.5
257.12769	5.6
262.11096	14.3
263.08072	6.8
263.11743	22.6
264.08835	11.8
264.12613	6.6
265.09766	26.6
265.13336	20.0
266.10455	19.8
267.11301	44.9
269.12894	18.5
271.10907	5.8
271.14380	12.5
273.12375	10.1
277.09900	4.3
278.10657	7.7
279.11267	61.1
280.12015	11.5
281.12775	22.9
283.10892	18.2
284.11575	18.2
285.12308	93.0
287.13812	5.2
289.15375	4.2
291.11374	12.6
292.11890	5.3
293.12808	20.3
295.10999	7.2
295.14313	5.7
296.11618	13.1
297.12332	100.0
298.13113	11.0
299.13953	13.1
307.10770	6.3
309.12299	34.6
310.13113	7.5
311.10294	12.8
311.13733	6.3
312.10999	8.1
313.11990	7.4
319.10818	15.3
321.12399	30.6
323.10052	22.3
325.11777	36.8
327.13406	36.8
337.11789	97.6
338.12418	8.3
339.13480	8.5
343.12711	6.7
357.14459	18.6
359.16223	9.7
369.14401	9.1
371.16235	6.8
390.18185	5.2
392.19727	6.0
400.16583	7.6
402.18237	7.9
404.19727	12.5
418.16946	5.2
420.19211	8.1
422.20593	8.5
429.29630	5.3
430.17719	26.0
432.18869	19.3
446.20715	11.8
448.18591	69.9
449.19452	61.9
450.20166	53.2
460.18585	44.3
461.19214	5.4
462.20074	11.6
474.20078	11.3
476.18079	28.9
477.19116	21.3
478.19751	19.8
490.12332	5.4
490.19608	98.6
491.20532	32.5
492.21240	56.8
493.22253	7.3
509.21460	6.5
522.22223	27.1
523.23157	51.1
524.24402	9.0
527.17316	5.0
567.26044	7.0
595.25897	18.8
613.26538	86.5
614.26703	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.1
55.01867	10.4
55.05508	38.7
57.03437	12.2
65.83475	6.6
67.05496	77.1
69.07056	22.5
69.60534	46.5
79.05492	56.7
81.06644	7.4
81.07063	67.8
83.04964	5.3
83.08613	14.3
85.06547	11.0
85.10164	5.9
91.05483	46.9
93.07048	52.1
95.04962	37.4
95.08594	52.3
97.06523	14.9
97.10174	17.1
105.07011	32.5
107.05006	8.5
107.08588	40.1
109.06515	25.7
109.10136	32.5
113.06021	14.3
117.07011	18.4
119.08579	23.2
121.10162	23.8
122.87618	6.1
123.08101	6.1
125.09632	13.8
129.06987	7.6
131.08589	29.1
133.10129	23.9
135.08052	34.5
135.11687	19.1
138.63643	5.5
143.08563	9.5
145.10104	18.9
147.11641	7.5
149.09607	6.6
157.10159	12.0
159.11684	9.4
161.13210	7.5
163.11215	9.9
185.13478	5.4
187.13374	8.1
189.11154	6.9
217.15932	9.9
227.12794	10.6
261.22061	11.1
273.18423	31.0
291.19534	100.0
325.36069	6.4
335.25702	44.1
365.23087	31.9
545.38239	12.4
595.92456	6.6
625.44177	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68982	5.9
53.03934	5.3
55.01862	7.9
55.05510	6.9
67.05491	14.1
69.03433	7.9
69.07058	12.3
71.04974	5.9
71.58249	7.2
74.12852	4.0
79.05483	20.8
81.03429	8.4
81.07081	23.1
83.08620	4.5
85.06489	4.1
88.33634	4.5
91.05479	16.7
93.07036	30.0
93.92384	4.3
93.92964	4.1
94.06578	16.6
95.04958	12.2
95.07397	5.5
95.08607	17.7
96.08111	24.7
97.06532	6.3
99.04499	4.4
105.07012	10.0
106.06582	5.9
107.08588	12.6
108.04433	4.1
108.08126	23.7
109.02895	5.7
109.10172	12.4
110.09671	31.4
111.08105	7.4
119.08674	7.9
120.04453	6.7
120.08109	26.5
121.06502	6.9
121.10146	4.6
122.06006	23.3
122.09635	4.4
124.07600	19.9
127.03870	6.0
134.05962	6.4
135.11615	5.4
136.07561	61.5
137.05911	7.4
138.09152	46.6
146.06041	13.6
147.11678	7.9
148.07539	32.1
149.05963	5.1
150.09093	10.2
152.07054	40.9
153.01865	6.4
164.07040	8.3
166.08655	67.8
167.07045	19.6
172.03941	27.6
174.09123	4.7
176.07056	5.5
177.05463	5.9
181.05060	7.5
190.04944	24.5
191.06990	7.2
193.60255	4.4
197.10825	5.7
198.09201	4.4
198.11479	9.6
204.06544	37.2
206.36559	4.1
210.11557	20.4
211.08704	5.5
211.12335	20.5
212.13109	8.2
223.12318	18.9
225.08119	4.6
225.10110	24.3
225.14047	4.9
226.11009	16.5
227.11868	12.0
235.12088	6.8
237.10362	20.9
238.11072	28.9
239.11835	21.7
241.13455	6.7
249.10315	14.4
250.10945	11.6
251.11797	33.3
252.12535	8.4
253.13364	14.4
255.11185	10.4
256.12186	9.7
262.11145	11.8
263.11795	29.5
264.08807	11.7
264.12411	5.3
265.09738	16.9
265.13419	11.8
266.10559	16.7
267.11343	48.4
269.12979	14.2
271.10840	6.5
271.14362	14.9
278.10696	5.4
279.11301	67.5
280.11932	13.0
281.12802	13.5
283.10861	17.5
284.11588	20.9
285.12341	91.3
289.15466	9.1
291.11264	19.8
292.11887	6.6
293.09653	4.3
293.12811	21.2
296.11606	15.8
297.12323	100.0
298.13107	6.8
298.46561	4.3
299.13998	9.2
309.12320	36.5
310.13181	8.2
311.10458	8.7
311.13681	6.2
319.10745	16.7
321.12341	30.9
323.10233	18.1
325.11801	41.2
327.13409	21.3
337.11786	78.9
338.12073	5.8
339.13449	11.9
345.06052	13.5
356.13733	6.1
357.14502	16.9
358.15042	6.8
359.15829	8.4
360.17288	5.7
369.14539	6.2
371.16116	7.3
385.13486	5.1
390.18106	7.3
392.19406	8.0
404.19742	6.5
420.19058	5.8
421.20203	6.0
430.17426	25.9
432.19168	18.4
436.18701	6.2
442.18127	7.0
446.20749	14.6
448.18637	72.1
449.19501	70.3
450.20267	50.2
460.18698	45.7
461.19168	7.7
462.19904	8.4
474.19949	10.8
476.18246	20.7
477.18735	16.3
478.19760	24.6
490.13150	7.3
490.19736	90.7
491.20270	30.1
492.21393	33.2
493.21976	6.4
522.22211	29.4
523.23273	14.4
595.25604	36.2
613.26495	80.8
614.26917	6.2
645.36694	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	643.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.1
55.01865	6.7
55.05504	13.0
57.03416	3.1
57.07066	5.2
65.03935	4.2
67.05494	16.6
69.03419	9.4
69.07068	82.1
69.24482	21.4
71.04981	2.8
75.04472	1.8
79.05498	25.6
81.03417	9.2
81.07051	50.2
83.04973	5.4
83.08600	12.9
84.07899	1.8
85.02912	12.2
85.06545	3.6
91.05473	16.3
92.02697	2.0
93.07044	33.3
94.74814	2.3
95.04948	14.6
95.08604	29.4
97.02882	3.0
97.06532	8.5
97.10179	3.1
99.04462	2.2
99.08089	4.4
103.05451	9.9
105.07042	14.7
107.04269	2.0
107.04962	7.4
107.08564	13.8
109.02848	4.6
109.06518	5.6
109.10148	22.8
111.04475	2.6
111.08071	7.1
111.11724	22.0
115.05455	5.7
117.07025	8.7
119.04925	2.7
119.08574	8.5
121.06515	8.4
121.10132	12.2
121.62465	2.5
123.04433	6.3
123.08035	3.5
123.11687	20.6
125.06022	3.5
127.03915	4.1
127.11202	3.8
129.06958	2.3
131.04924	6.8
131.08519	3.2
133.02814	2.1
133.06525	5.4
133.10147	5.5
133.17628	2.0
135.08020	2.7
135.11702	7.8
137.05986	6.4
137.13242	3.9
139.07552	11.4
139.11179	19.8
145.06476	13.9
145.10153	4.9
147.04515	2.4
147.08054	2.5
147.11685	7.3
149.05977	4.0
149.13295	6.5
151.03969	2.8
151.07576	4.7
151.14841	2.8
152.04578	2.4
153.01822	7.1
153.05513	4.2
155.06042	3.5
157.12244	3.9
159.08047	2.8
159.11691	5.5
161.05995	2.4
161.13231	6.6
163.07542	6.8
165.05490	3.3
167.07039	100.0
167.14362	3.4
168.07373	3.5
171.06535	4.2
173.05963	20.5
175.07558	3.3
177.05460	3.4
179.14322	3.5
181.04953	58.0
182.05339	3.7
191.07034	28.9
193.15919	3.5
201.05449	2.4
203.07011	3.7
205.08640	6.1
207.06422	2.3
209.07971	3.2
211.13257	2.4
219.10225	4.3
225.07570	4.5
233.08185	10.2
235.09636	5.8
263.09140	5.5
289.25128	5.1
295.26233	18.5
307.26315	34.8
313.06488	2.3
325.27380	5.8
357.13141	3.5
378.71658	2.2
385.12704	14.7
387.14209	6.7
394.65347	2.1
399.13846	2.6
417.15439	32.8
643.23560	9.4
643.32611	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	643.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54777	0.9
53.00435	0.9
53.03945	1.0
55.01874	2.2
55.05494	1.5
57.07747	0.9
65.03936	3.7
67.05491	3.2
69.03429	3.0
69.07056	4.3
71.04993	0.9
71.58132	1.3
71.58501	1.3
78.04707	2.5
79.05086	1.3
79.05489	6.9
80.55647	0.9
81.03410	4.2
81.07056	4.4
85.02884	3.2
91.05471	9.3
93.07043	5.6
94.06554	4.1
95.04977	5.7
95.08604	3.8
96.08120	4.2
97.06541	3.0
97.10147	1.0
99.08021	1.0
103.05458	5.3
105.03322	1.2
105.07032	4.8
106.04183	1.7
107.04951	5.6
107.08600	2.2
108.04501	2.0
108.08111	6.3
109.02883	1.9
109.06553	2.5
109.10139	3.5
110.03642	1.3
110.09671	4.0
111.00606	0.9
111.04433	1.5
111.08094	0.9
112.24280	0.9
115.05465	4.8
117.07024	6.6
118.04079	0.9
119.04964	1.1
119.08548	2.6
120.08100	4.4
121.06496	1.9
121.10111	2.3
122.06000	2.8
123.04413	7.2
123.11714	1.6
124.05205	3.4
124.07582	4.3
125.05970	2.8
125.09634	1.1
127.03915	15.6
131.04910	6.0
131.08609	1.7
133.02834	1.5
133.06491	2.6
133.10110	2.9
134.03662	1.4
134.05956	2.3
135.08002	1.2
135.11740	1.3
136.07556	5.5
137.05989	3.0
137.09558	1.3
138.09103	5.6
142.02652	1.5
144.04376	2.3
145.06499	12.5
146.06041	2.4
147.04456	1.3
147.08041	1.1
148.05127	1.2
149.06049	1.2
149.09665	1.2
151.03929	2.2
152.04753	2.4
152.07109	1.6
153.01846	4.2
153.05470	2.6
155.06006	2.7
159.07990	1.1
160.03947	1.7
161.05920	2.5
162.05495	1.7
163.07535	6.1
165.05397	1.7
165.08992	2.1
166.08632	7.8
167.07042	100.0
168.07394	2.1
171.06558	2.6
172.03958	11.3
172.05302	1.8
173.05977	19.3
175.07591	1.5
176.04614	1.7
176.07047	2.4
177.05431	1.5
179.07036	1.6
181.04962	49.9
190.04984	9.8
191.07018	20.4
195.06519	3.2
197.10851	1.3
203.06912	1.4
204.06561	20.5
205.08614	4.5
207.06534	2.2
207.10074	1.1
209.07954	1.4
211.08763	1.7
217.08662	1.3
219.10204	1.3
225.07521	3.6
225.10179	5.9
227.11771	7.9
233.08134	8.9
235.09636	4.1
237.10281	1.7
239.11769	2.7
241.13547	1.2
251.11841	1.7
253.09721	3.4
263.09189	5.8
269.12930	9.9
271.10889	4.9
271.13705	1.1
273.12265	4.0
279.11191	2.4
283.10721	2.9
284.11554	3.2
285.12338	2.0
287.13919	9.4
295.09741	1.4
297.12244	4.5
299.14090	1.3
314.12912	1.9
323.10080	3.5
325.11746	14.5
327.13690	2.0
328.10867	1.5
331.16931	1.2
338.12115	1.2
341.11746	1.3
342.12320	4.4
343.12964	5.9
344.13586	1.4
356.14105	2.9
357.13855	4.9
358.15402	3.3
368.10443	1.1
370.15726	2.5
371.15405	1.2
382.11887	2.9
383.12735	2.2
384.13281	3.0
385.12985	6.2
386.18799	2.0
387.14352	13.0
390.17960	2.5
398.15027	11.2
399.15793	12.1
400.15982	1.3
404.16098	2.2
412.16678	1.6
414.18231	1.6
416.16092	9.6
417.15442	43.7
418.15530	1.6
422.16760	1.7
428.15955	1.4
430.17615	1.4
440.15982	2.7
441.14728	1.6
446.17139	10.4
458.17117	25.7
490.19724	4.8
551.22961	1.3
567.25562	2.2
569.23938	6.1
583.25848	1.2
593.23700	6.5
611.25018	38.2
626.24762	1.8
643.23340	3.4
643.34204	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.5
53.03933	6.0
55.01878	7.2
55.05502	2.7
56.96537	1.6
57.03431	3.7
61.02906	1.6
65.03950	2.0
67.05511	8.0
69.03428	11.5
69.37775	13.5
71.04973	2.7
73.02897	2.2
77.03899	2.1
79.05490	17.7
81.03416	14.7
81.07054	8.4
83.04955	4.3
85.02901	12.1
89.35411	1.4
91.05470	22.9
93.07036	29.7
94.04154	3.6
95.04970	12.3
95.08606	4.8
97.02879	5.9
97.06521	3.9
99.04428	3.1
103.05470	32.9
105.04490	2.4
105.07039	11.1
107.04946	14.6
107.08559	2.4
109.02862	6.9
109.06533	7.7
111.04430	4.5
111.08069	6.6
115.05450	6.1
116.06255	1.7
117.06992	8.9
117.08852	1.3
119.04932	4.4
119.08566	3.5
121.02877	1.4
121.06484	13.9
122.03638	6.1
123.04414	6.4
123.08076	5.4
125.02352	2.4
125.05983	2.8
127.03917	6.8
128.06177	1.5
129.06975	3.9
131.04921	50.5
131.08612	2.0
133.06465	7.7
133.10141	1.6
135.04387	2.7
135.08052	3.9
137.02357	2.2
137.05971	100.0
138.06255	1.5
139.07542	24.5
141.06943	3.3
143.08603	1.4
145.06441	10.7
146.03638	3.4
147.04390	4.2
147.07988	4.6
149.05966	6.0
151.03929	3.0
151.07544	26.6
153.01813	8.2
153.02892	1.9
153.06953	1.7
155.05997	2.8
157.06459	4.3
157.08606	2.1
159.08084	2.0
161.05988	14.2
161.09607	4.4
163.03857	1.6
163.07539	61.1
165.05461	2.4
165.06950	2.0
165.09088	4.3
167.07048	56.1
167.08418	1.9
169.06422	1.6
171.07988	2.7
173.05997	9.4
173.09540	1.8
174.06744	2.3
175.07532	16.9
177.05531	3.1
177.09105	15.5
179.06967	2.0
181.04979	18.4
181.06483	2.8
181.08580	5.3
181.10091	1.6
183.08037	2.2
185.06017	1.6
185.09607	1.7
187.07510	5.8
189.09128	8.6
191.07040	4.8
193.08623	4.5
195.08078	4.1
195.10139	12.7
195.11690	2.0
199.07532	5.3
201.05507	2.3
201.09081	5.6
202.07962	2.2
203.07010	1.9
203.10658	3.5
205.08464	1.9
207.10141	6.6
209.08054	4.2
211.07506	2.3
211.09491	2.6
212.08156	2.4
213.09091	4.5
215.10675	2.5
217.08559	3.7
219.08241	1.9
219.10159	6.4
221.09624	2.2
221.11659	3.8
222.06776	1.8
223.11166	3.7
224.08261	3.0
225.09169	3.6
227.10632	4.1
229.08507	2.1
233.08018	3.7
235.07530	2.4
237.09091	3.2
239.10655	4.9
241.08505	2.4
241.12299	3.0
243.10197	1.9
249.09059	1.7
250.14766	1.7
251.10699	5.2
253.12228	1.6
254.65532	1.7
255.10207	2.5
255.13683	2.8
257.11679	3.9
265.08585	3.2
265.12222	2.4
267.10175	3.0
269.11725	14.6
271.13315	4.1
279.10074	2.3
281.11746	2.7
283.13235	6.6
284.10046	1.6
287.05469	2.6
287.12836	2.7
293.11667	2.1
297.11179	3.4
297.14261	1.7
299.12671	5.3
303.05038	15.6
308.10684	1.7
309.11337	1.7
311.12796	4.1
313.14322	8.0
315.12384	1.7
323.12769	2.7
327.15817	4.5
329.13791	4.7
331.15378	3.1
339.15851	2.0
341.13931	1.5
353.13864	1.9
355.04483	3.6
356.57721	1.6
385.12744	13.3
387.14297	2.1
417.15582	5.1
431.17245	1.8
437.08081	2.3
445.19025	2.3
463.20822	4.5
465.22610	2.0
475.19376	1.9
481.22269	8.4
511.12430	14.2
551.75873	1.6
604.60516	1.6
625.26337	2.5
643.25751	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	643.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53853	1.1
70.23076	5.4
78.64694	1.0
92.40978	1.2
93.44555	1.1
144.04706	1.1
177.23257	1.0
195.44855	1.2
206.30797	1.3
271.66498	1.1
279.93552	1.3
385.32269	1.1
396.11713	1.7
410.13687	1.6
411.14523	5.2
412.15503	3.9
413.16159	1.8
423.14932	1.5
424.15323	1.9
425.16403	8.7
426.17062	6.0
427.17590	3.0
438.12830	1.7
439.13632	13.0
440.18558	4.9
441.19296	29.6
442.19812	2.6
452.14969	4.0
453.15326	13.0
454.16275	4.6
457.14825	1.6
467.17154	20.7
468.18048	13.5
469.18967	9.3
481.14856	9.9
482.15408	2.3
495.16394	1.7
496.17050	12.3
509.18332	2.4
514.22095	2.0
527.22626	3.3
555.22394	30.0
556.22546	2.1
583.21863	100.0
584.22015	8.3
587.24817	2.6
611.21539	2.2
615.24542	14.2
643.23938	48.9
644.24078	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	643.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.3
59.02337	1.5
67.05495	4.9
69.07097	1.7
69.56390	14.3
78.75388	1.7
79.05486	3.0
81.07048	6.6
85.91950	1.6
91.05506	2.8
93.07036	3.5
95.04958	2.2
95.08611	4.2
105.07024	3.4
107.08620	2.6
109.10159	2.3
119.08615	1.7
121.10088	2.2
133.10158	2.3
161.82729	1.6
261.22192	2.0
540.14789	2.5
643.25256	100.0
644.25806	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.1
55.01859	2.6
55.05504	10.4
57.03422	2.2
67.05507	25.0
69.07064	11.0
70.29535	4.3
70.29935	4.8
79.05492	17.7
81.07066	23.7
83.08614	5.9
85.02934	2.0
90.10957	2.4
91.05488	20.7
93.07044	16.3
95.04949	4.3
95.08604	14.5
97.06532	5.4
97.10160	2.3
105.07034	19.9
107.04937	2.4
107.08586	12.8
109.06538	2.7
109.10167	3.0
117.07000	11.3
119.08579	13.4
121.10144	4.8
123.08052	3.0
129.06993	5.0
131.08542	12.8
133.10135	9.1
135.11649	4.8
141.06934	3.9
143.08585	4.2
145.10146	6.7
147.08078	2.1
155.08542	3.5
157.10133	3.9
159.11691	6.2
173.13237	3.3
183.11731	2.6
197.13295	2.8
262.46222	2.0
275.20111	3.4
276.20282	2.4
353.24783	4.1
371.25754	3.8
389.26770	5.8
445.29504	100.0
446.29706	4.8
463.30511	31.6
544.36597	2.5
621.35931	2.3
642.28857	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	5.8
60.65914	1.3
61.02917	2.5
63.61798	1.4
64.27531	1.2
67.05508	14.8
69.07053	5.2
71.11142	1.2
71.58119	2.0
74.43551	1.2
79.05502	9.9
81.03413	2.6
81.07053	17.3
83.04949	2.6
83.08609	3.1
85.02894	1.7
91.05478	18.1
93.07043	16.1
95.04956	3.3
95.08604	11.1
97.06516	1.9
104.07729	1.3
105.07024	16.9
107.04971	3.0
107.08597	7.7
109.10155	3.4
110.70646	1.3
117.07015	6.6
119.08563	9.5
121.06506	2.0
121.10113	5.3
122.56976	1.2
128.06264	1.4
129.06999	4.1
131.08574	9.4
133.10100	6.5
135.11757	1.5
143.08557	6.2
145.10121	9.4
147.08057	2.0
147.11699	2.2
149.09618	1.6
155.08481	1.4
157.10149	5.0
159.11708	3.9
163.11124	1.4
169.10088	3.8
171.11649	2.6
185.13136	2.0
187.14732	1.4
195.11664	1.6
209.13373	1.9
236.13390	1.5
258.19299	1.3
275.20078	3.0
276.20596	2.3
325.25128	1.8
353.24707	3.2
371.25739	4.3
389.26514	6.8
445.29520	100.0
446.29776	4.0
463.30576	22.5
464.30862	2.2
544.36694	2.1
643.27515	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10917	3.1
53.03939	13.6
55.01866	5.8
55.05508	34.2
57.03449	17.6
65.03938	6.4
67.05502	76.9
67.61386	3.0
68.05855	3.6
69.03442	19.1
69.07063	24.1
71.04980	14.5
72.23194	3.3
73.02887	6.0
79.05491	61.5
81.03416	96.5
81.07055	100.0
83.04984	50.2
83.08623	29.4
85.02905	25.9
85.06538	7.6
91.05487	56.1
92.05781	4.0
93.06483	4.4
93.07044	58.4
95.04966	37.8
95.08602	21.4
97.02913	19.5
97.06516	13.7
97.10179	8.5
99.04443	9.5
105.07027	35.6
107.04940	13.8
107.08599	28.3
109.02882	11.3
109.06505	6.7
109.10162	7.6
111.04469	17.4
111.08054	18.8
117.07015	11.9
119.08586	21.2
121.06538	5.0
121.10148	21.0
123.11695	7.0
125.09648	6.0
127.03917	13.2
129.05505	16.6
129.06990	14.5
131.04893	4.0
131.08574	19.9
133.06441	4.5
133.10121	21.1
135.11684	12.6
143.08545	4.4
145.10103	6.0
147.11705	19.8
149.09628	6.6
149.13271	26.8
157.10106	13.6
159.07985	4.2
159.11699	13.6
163.11174	7.5
165.12712	5.4
175.11194	12.9
177.12688	7.0
193.12224	44.8
195.13763	22.6
211.13275	66.4
227.12720	7.0
267.15897	20.4
269.17477	42.7
285.16974	17.6
293.33820	3.7
339.17932	7.8
369.24347	4.1
395.20740	3.9
406.60394	3.7
413.21622	11.8
461.29099	31.5
479.30051	55.7
605.32782	4.6
623.34167	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	641.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.4
54.33064	1.9
54.78122	1.6
55.01868	4.1
55.05514	20.8
57.03437	10.1
57.07097	2.1
59.04985	2.1
61.02922	1.9
65.03946	3.8
67.05507	66.2
69.03430	20.8
69.07079	10.5
71.01373	2.0
71.04992	43.9
78.76353	1.9
79.05063	2.8
79.05495	33.3
81.03415	80.6
81.07056	43.0
83.04980	23.8
83.08620	17.8
85.02908	19.2
85.06541	4.5
91.05482	40.9
93.07043	34.4
95.04974	22.8
95.08596	22.2
97.02892	13.3
97.06537	8.2
97.10168	4.4
99.04465	5.3
105.07030	22.9
105.17041	1.9
107.04953	10.6
107.08593	16.7
109.02882	15.7
109.06512	8.4
109.09459	3.5
109.10157	40.9
111.04446	8.9
111.08086	9.6
112.33398	1.6
113.06019	1.8
117.07015	6.7
119.04899	3.0
119.08590	24.8
121.06493	5.2
121.10129	16.1
123.04388	2.4
123.08094	3.2
123.11729	3.5
125.09631	4.2
127.03928	10.9
128.06308	2.4
129.05486	4.6
129.06996	9.5
131.08539	11.5
133.06506	3.8
133.10139	14.3
135.08072	4.3
135.11678	15.0
137.05983	4.0
137.09657	12.4
143.08615	2.0
145.06511	3.2
145.10133	8.0
147.08017	2.7
147.11671	11.9
149.09671	5.2
149.13287	3.7
151.11212	2.4
153.01910	2.4
157.06512	2.0
157.10139	7.8
157.15710	2.0
159.08066	2.6
159.11700	3.9
161.09653	2.7
163.11195	7.7
165.12779	4.1
167.07072	4.0
167.08350	2.4
169.10126	2.1
169.12257	2.5
171.06540	2.5
173.04460	10.7
173.11766	12.3
175.11206	8.0
177.05598	2.2
178.96115	1.8
179.10669	2.6
181.04984	5.4
181.12262	7.5
184.07307	2.2
187.13287	4.1
189.12749	1.9
193.12256	32.8
195.13744	3.0
211.13283	52.0
229.14192	2.8
229.67448	2.4
243.15898	4.1
253.14143	3.0
267.15912	8.9
269.17380	2.2
285.17004	7.6
296.75479	2.3
301.14334	2.2
313.16507	2.3
325.16306	5.5
381.19006	3.0
393.19342	2.3
413.21857	3.2
421.25882	8.2
439.26758	7.8
447.27344	6.1
453.28412	10.1
461.28961	3.6
461.35913	3.7
465.28586	3.9
468.12994	2.1
479.29663	6.6
488.18201	2.5
497.31042	6.9
591.32117	2.8
609.32581	7.7
623.33777	3.8
641.34814	30.9
641.45886	100.0
662.96039	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77603	0.7
55.01864	1.5
55.05504	2.6
57.03426	2.1
65.12902	0.6
67.05507	6.1
69.03423	3.0
69.07053	2.3
70.83242	0.6
71.04986	1.6
71.58022	1.0
74.41402	0.7
79.05492	6.3
81.03414	7.8
81.07058	8.9
83.04972	2.9
83.08620	1.7
85.02902	2.4
85.06538	1.2
91.05488	5.0
93.05798	1.0
93.07040	5.6
94.06580	1.5
94.62238	0.6
95.04974	3.2
95.08599	3.0
97.02888	2.1
97.06519	1.5
97.47482	0.6
105.07038	3.3
107.04968	1.1
107.08601	2.8
108.08121	7.9
109.02888	0.7
109.06567	1.1
109.10183	3.5
111.04467	1.3
117.07013	1.5
119.08607	2.3
120.08976	0.6
121.06512	0.8
121.10143	1.8
123.08029	0.9
123.11729	1.1
127.03938	1.4
129.07025	1.0
131.08589	1.6
133.06439	0.6
133.07338	0.6
133.10165	2.8
135.08115	0.8
135.11707	1.3
136.07561	9.0
137.05997	0.7
137.09625	0.8
144.50366	0.6
145.06554	1.1
147.11700	1.8
149.13309	1.1
157.10139	1.2
164.07130	1.8
167.07066	1.2
177.05521	1.2
181.04922	1.1
192.13791	0.7
193.12297	0.9
204.06618	1.6
211.13269	1.8
227.12721	0.6
233.10741	0.7
236.09529	1.0
237.10435	0.8
248.09488	1.2
249.10254	3.0
250.10973	1.9
251.11761	1.8
261.10281	1.1
262.11102	1.5
263.11786	3.8
265.09787	2.3
265.12726	0.6
267.15942	1.6
269.17612	0.7
277.09744	2.9
278.10388	1.1
279.11276	3.9
285.12393	1.1
289.09677	1.3
291.11179	3.8
292.12350	0.8
293.12869	2.4
295.10818	1.7
298.13409	1.0
299.14246	1.3
308.83316	0.6
309.12363	1.1
312.15009	0.8
314.16580	1.1
319.10919	1.1
324.11154	1.5
325.12125	3.0
325.15765	0.8
327.13766	0.8
337.11984	1.2
338.12860	1.1
339.13754	0.9
340.14325	4.8
342.15982	1.4
352.14267	1.3
353.11438	0.7
354.12387	1.6
354.16232	1.6
355.13358	1.7
356.13986	1.7
356.17755	1.0
366.12494	0.9
368.13803	4.3
368.17941	0.8
369.14783	1.4
370.15497	2.9
372.17346	1.0
380.13980	1.2
381.14673	1.2
382.15570	2.0
383.16171	1.9
384.17105	2.4
386.18851	2.4
396.13043	1.1
396.17407	1.2
398.14987	2.0
400.16702	2.9
408.13333	0.8
410.15140	1.5
412.16632	2.1
413.17358	1.1
414.13696	1.1
414.18478	1.1
418.17703	1.2
428.16061	3.8
442.12900	1.1
442.18369	1.6
443.18375	1.3
444.19577	1.5
446.17194	2.4
452.15848	1.0
460.18900	1.3
469.16565	0.8
470.17279	4.8
486.16592	2.1
487.17395	15.0
488.18167	70.2
489.18484	2.1
518.19214	1.3
609.23828	2.2
623.33716	1.8
641.46051	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1497
Annotation	Quercetin 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
51.00938	0.5
63.02374	0.8
66.59564	0.7
69.30756	6.4
71.04935	0.7
79.05535	0.6
81.03409	0.7
87.70900	0.7
88.94973	0.6
89.03915	10.2
91.05459	1.1
93.07024	0.7
98.21504	1.2
117.03376	24.8
118.98653	0.6
119.04983	0.6
134.03633	2.0
135.04376	2.3
137.02385	2.8
145.02843	56.9
146.03200	1.3
149.05981	8.7
153.01831	7.2
163.03876	1.0
165.01855	1.5
177.05466	100.0
178.05867	1.5
186.05507	1.2
191.76350	0.7
201.05428	1.4
217.15782	0.8
229.05025	3.3
257.04547	1.1
267.67606	0.6
285.04123	0.9
303.04987	57.8
304.05408	1.7
321.09656	1.1
339.10687	6.3
345.06229	1.0
377.88593	0.6
563.10516	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28004	0.2
53.03933	0.4
55.12115	0.2
56.21252	0.2
56.38839	0.2
63.02377	0.6
65.03933	0.4
65.23459	0.2
67.05504	0.2
68.99803	0.3
69.03419	0.9
71.02617	0.6
78.04710	0.6
79.05494	0.3
81.03417	1.1
81.07023	0.2
85.02887	0.7
89.03916	9.0
91.05461	1.0
93.07037	0.4
95.04932	0.4
97.02888	0.4
99.04445	0.3
103.05500	0.3
105.07015	0.3
106.04192	0.3
107.04975	0.4
109.02876	0.5
111.00780	0.7
111.04546	0.2
111.92062	0.2
117.03379	23.1
118.03685	0.4
119.04944	0.2
119.27260	0.2
121.02880	0.7
121.06490	0.2
121.10164	0.2
123.04446	0.3
127.03924	0.3
128.66576	0.2
131.08572	0.2
134.03633	1.7
135.04420	2.3
137.02336	2.4
137.05960	1.0
145.02841	57.4
146.03177	0.8
146.77357	0.2
147.04358	0.3
149.02316	0.2
149.05981	8.4
151.07515	0.2
153.01822	2.9
153.05382	0.2
158.06052	0.4
161.06046	0.3
162.03053	0.3
163.03946	1.1
163.07466	0.2
165.01828	1.3
173.06006	0.3
175.07434	0.3
177.05466	100.0
178.05786	1.5
183.02879	0.6
183.04391	0.3
186.05533	1.3
187.03922	0.3
195.06468	0.2
201.05418	1.6
229.04938	2.9
247.06046	0.5
257.04419	1.9
261.07590	0.6
268.89163	0.3
274.04715	0.4
279.08722	0.6
285.03931	0.6
303.04987	47.6
304.05328	1.1
321.09796	1.5
339.10748	4.9
340.11011	0.3
345.05914	0.5
495.13644	0.3
546.34363	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
53.03940	1.3
53.80744	0.3
55.01889	0.3
55.05492	0.3
57.03413	0.5
58.61346	0.3
63.02373	1.1
67.05495	0.5
69.03430	4.9
69.07047	0.3
71.04986	1.8
71.57841	0.5
78.04704	0.9
79.05489	1.5
81.03421	9.6
81.07037	1.0
83.08564	0.3
85.02907	1.4
89.03915	13.2
90.92525	0.3
91.05474	2.2
93.07035	1.2
95.04955	1.1
95.08577	0.8
97.02885	3.3
99.04477	1.8
103.05479	1.4
105.03395	0.3
105.07021	1.1
106.04176	0.6
107.04947	0.4
107.08582	0.6
109.02876	6.8
109.06534	0.6
109.10160	0.6
117.03374	31.5
119.04935	1.0
119.08575	0.6
121.02893	0.8
121.06470	0.8
121.10124	0.3
124.05200	0.5
127.03883	1.9
129.03331	0.3
129.07022	0.4
131.04909	0.9
133.02861	1.9
133.06520	0.6
133.10088	0.4
134.03650	2.9
134.99706	0.4
135.04413	2.6
137.05959	3.5
145.02840	59.8
147.04427	1.4
149.05975	9.8
151.03876	0.7
151.07448	0.4
153.01816	1.9
157.02863	0.7
158.06000	0.7
161.02327	1.6
161.05925	0.8
163.03940	1.7
165.09000	0.3
167.07054	0.5
169.06447	0.4
175.03873	1.0
175.07504	0.7
177.05463	100.0
178.05878	0.6
181.06451	0.5
185.02315	0.7
186.05449	2.4
187.03918	2.6
189.09064	0.5
191.07065	0.6
193.04971	3.5
195.06543	0.8
201.01801	0.7
201.09015	0.5
203.03371	1.9
205.08487	0.4
213.01831	1.8
215.03389	2.2
219.10121	0.7
229.01315	0.6
229.04976	0.6
231.02878	11.2
241.01335	2.0
247.02309	1.0
259.02371	16.9
275.01971	1.6
276.02609	2.6
277.03421	47.0
285.00311	0.7
287.05460	2.8
289.03455	0.5
289.20953	0.3
296.34995	0.3
299.05460	4.3
303.01404	8.0
303.04877	1.4
321.02396	0.9
321.09628	2.6
331.00992	0.3
363.03583	0.5
446.89310	0.3
479.13263	1.3
641.11499	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	641.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.5
55.01860	0.5
55.05487	0.5
61.44408	0.4
61.89734	0.4
63.02380	0.6
64.39952	0.5
65.03915	0.7
66.39220	0.4
68.99809	0.5
69.03399	1.1
69.07024	0.6
69.35487	4.8
75.66112	0.5
78.75480	0.4
79.05497	1.1
81.03399	1.9
81.07035	1.7
85.02896	1.1
85.06485	0.5
86.65090	0.5
89.03404	0.8
89.03917	10.6
91.05453	1.2
93.07050	1.2
95.04947	1.4
95.08571	1.5
97.02911	0.5
103.05489	0.8
105.07021	0.7
106.04166	0.5
107.04946	0.7
107.08611	0.6
109.02865	1.6
109.06496	0.6
111.00798	0.8
117.03378	29.5
121.02824	0.8
122.03748	0.5
124.05145	0.6
127.03921	1.6
131.04878	0.5
134.03621	1.9
135.03539	0.5
135.04402	3.3
137.02364	3.5
137.03236	0.6
137.05969	4.2
143.03342	0.7
145.02843	61.7
146.03145	0.8
147.04359	0.6
149.05984	9.7
149.13242	0.8
151.03835	0.8
153.01820	12.1
153.02998	1.1
158.05995	0.8
161.05969	1.0
163.03899	1.4
165.01836	2.2
165.09145	1.1
167.07018	0.5
177.05463	100.0
178.05823	1.0
181.04868	0.8
183.02859	1.3
186.05515	1.9
201.05484	1.9
205.04787	0.6
219.06544	0.7
229.04964	4.4
247.05867	0.6
257.04456	2.0
260.04068	0.5
274.04788	0.8
285.04025	1.4
287.05646	0.7
295.92685	0.6
303.04987	82.8
303.73044	0.5
304.05280	2.2
315.04904	0.6
321.09753	0.9
339.10513	1.2
341.13626	0.7
345.06107	1.1
421.18433	0.5
451.10248	2.3
479.09677	2.2
630.07971	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.3
55.01867	8.9
55.05512	25.4
57.03432	9.6
57.07070	3.6
65.03932	4.5
67.05505	88.2
69.03427	26.5
69.07060	18.6
71.04994	35.9
71.58009	3.8
74.46104	2.6
79.05496	50.5
81.03415	64.2
81.07052	100.0
81.07528	6.3
83.04979	12.7
83.08624	15.9
85.02894	14.9
85.06540	8.3
91.05479	47.7
93.07037	59.6
95.04972	18.9
95.08596	26.3
97.02881	14.9
97.06524	15.3
97.10181	8.1
99.04474	9.1
105.07028	30.6
107.04974	13.2
107.08594	34.9
109.02884	23.0
109.06545	6.5
109.10149	16.1
110.04405	2.6
111.04460	12.6
111.08078	8.2
117.07014	16.3
119.08575	12.7
121.06483	6.4
121.10139	15.6
123.08128	4.6
123.11716	12.7
125.09599	4.4
127.03896	14.4
129.05550	3.3
129.07019	7.6
131.08577	20.0
133.10124	21.0
135.08035	6.0
135.11707	11.2
142.07803	3.8
143.08563	5.1
145.10150	7.4
147.08061	3.7
147.11688	10.6
149.09604	6.3
149.13266	22.4
151.11279	4.0
157.10072	3.5
159.11722	13.4
161.13266	4.1
163.11191	7.7
165.12733	7.1
171.06599	4.0
171.11661	4.6
173.04437	13.2
175.11189	5.5
177.12752	9.4
183.06549	3.9
183.13873	5.2
187.13313	11.5
191.10625	4.4
193.12289	6.4
195.13779	14.6
209.11772	7.2
211.13344	4.4
223.17075	2.8
227.12849	7.7
267.16098	3.8
269.17511	10.1
273.18515	5.8
275.20215	2.7
293.17789	3.3
303.15912	4.4
321.17184	4.1
339.17987	4.9
353.16187	3.2
395.20660	6.8
427.23114	3.3
437.29156	12.9
443.27948	2.8
451.30362	5.8
459.27545	3.4
463.30698	4.1
477.28433	5.9
607.34698	9.7
621.33093	3.4
639.35382	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	639.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.1
53.93916	2.1
55.01865	6.9
55.05513	19.3
57.03432	10.9
59.04995	2.3
62.18687	2.0
67.05502	27.7
69.03429	15.4
69.07059	6.0
69.43298	21.8
69.43663	3.4
71.04984	6.6
79.05489	30.8
81.03414	100.0
81.07057	30.1
82.23604	2.0
83.04978	21.0
83.08623	21.1
85.02899	18.1
85.06541	2.9
91.05476	30.7
93.07043	18.5
95.04965	35.9
95.08604	12.5
97.02889	15.4
97.06538	5.6
97.10153	6.7
99.04455	4.3
101.31926	2.4
105.07019	18.8
107.04973	8.1
107.08604	12.0
107.46172	2.2
109.02886	16.9
109.06531	5.3
109.10136	4.7
111.04458	13.9
111.08083	8.8
117.07053	4.0
119.08578	21.4
121.06512	3.0
121.10135	9.7
123.08092	3.4
123.11718	2.4
125.09631	3.8
127.03913	6.2
129.06987	9.9
131.08562	10.8
133.06496	4.4
133.10126	9.1
135.11694	3.3
137.05989	2.6
137.09604	2.9
142.07800	2.5
145.10086	4.0
147.04404	2.6
147.08015	4.5
147.11699	14.6
149.09601	5.4
150.53902	2.1
155.08533	2.8
157.10139	9.5
163.11215	6.1
165.12749	6.2
173.04514	3.1
173.09721	2.9
175.11183	14.2
181.12276	3.9
191.10686	3.5
193.12233	48.8
211.13297	58.6
227.12804	5.9
235.13409	2.6
267.15933	13.6
283.63873	2.2
285.16946	8.6
319.15393	2.6
355.17505	6.3
403.25653	2.8
411.20169	3.7
459.27322	7.8
477.28397	9.0
492.93442	2.8
495.29471	12.2
511.27356	2.4
585.29938	3.1
621.33215	4.0
639.33710	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.9
53.03944	13.5
55.01877	13.6
55.05511	30.2
57.03237	1.3
57.03439	13.7
57.07086	8.3
59.04995	2.9
65.03915	5.3
67.05507	78.6
69.03426	28.1
69.07070	21.8
69.31978	15.1
69.32384	3.0
71.01318	2.1
71.04990	24.1
72.49860	1.7
73.02924	2.3
79.05492	51.4
79.64856	2.1
81.03419	79.8
81.07059	100.0
83.04980	19.7
83.08617	20.8
85.02898	16.4
85.06538	7.2
87.04466	2.1
89.26780	1.7
91.05480	54.8
93.07043	58.0
95.04967	28.3
95.08614	28.1
97.02895	21.6
97.06539	13.2
97.10189	8.2
99.04449	7.7
99.08101	4.3
101.05921	1.8
103.05467	2.4
105.04530	2.3
105.07031	35.8
107.04974	11.3
107.08591	28.9
109.02874	12.7
109.06509	7.8
109.10150	13.2
111.04420	10.6
111.08086	10.6
115.03934	3.4
115.05453	3.6
116.06227	1.8
117.07021	15.0
119.08592	15.7
121.06516	8.4
121.10152	19.3
123.04345	2.0
123.08037	5.5
123.11723	8.1
125.06004	2.3
125.09627	5.8
127.03925	10.5
128.06209	2.1
129.05452	4.3
129.07022	10.3
131.03297	1.8
131.08595	14.7
133.06529	2.6
133.10141	18.1
135.08058	5.4
135.11691	11.7
137.05949	3.7
137.09624	2.7
139.11179	3.0
143.08554	3.0
145.10107	7.4
147.08058	3.8
147.11668	13.2
149.09584	5.2
149.13261	15.4
151.11223	3.8
155.08516	3.2
157.10118	7.1
159.11720	9.2
163.11168	6.2
165.12740	4.2
169.76271	1.6
171.06577	4.0
171.11635	2.4
173.04449	11.6
173.09541	2.8
173.11737	3.2
173.13165	1.9
175.11232	5.4
177.12721	8.8
181.12305	3.1
183.06561	2.7
187.13300	3.8
189.11201	3.8
191.10735	2.7
193.12245	8.3
195.13768	13.4
209.11813	3.5
211.13300	9.0
213.14839	2.7
227.12766	7.8
229.14336	2.4
237.48552	1.7
247.13185	1.9
251.16495	1.9
267.15924	3.6
269.17584	8.5
283.15353	2.1
285.16943	3.4
303.15872	2.9
321.16901	3.6
339.17944	6.8
395.20581	7.0
423.27228	2.5
437.28845	9.4
451.30392	2.6
463.30341	2.4
477.28757	4.2
495.33542	2.1
607.34442	5.6
621.32574	2.8
639.34436	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.3
55.01862	9.5
55.05509	21.5
57.03436	13.3
67.05504	29.7
69.03426	18.7
69.07063	12.6
70.64442	6.2
71.04980	9.0
73.02921	2.5
79.05490	38.3
81.03416	100.0
81.07055	44.0
83.04974	21.1
83.08618	25.2
83.33695	2.5
85.02898	25.8
91.05484	41.4
93.07035	30.3
95.04968	34.5
95.08598	16.4
97.02891	19.4
97.06523	7.4
97.10149	8.5
99.04435	6.5
99.08167	2.8
101.28918	2.4
105.07027	33.9
107.04955	9.5
107.08611	13.8
109.02858	22.9
109.06507	8.0
109.10134	10.9
111.04453	13.5
111.08076	13.7
117.07017	5.5
119.08556	25.3
121.06477	5.8
121.10152	13.5
123.04406	3.0
123.08072	6.4
123.11676	6.8
125.09646	5.9
127.03922	16.0
128.06215	3.4
129.06990	12.9
131.08537	13.8
133.06505	5.0
133.10130	13.4
135.11676	7.2
137.05957	5.8
137.09604	3.0
145.06490	3.5
145.10150	9.0
147.08040	4.1
147.11665	26.4
149.09628	9.5
153.01836	4.3
153.12747	3.4
157.10120	10.4
159.11737	3.4
161.05937	3.4
163.11165	6.8
165.12749	11.0
167.07091	3.7
173.04485	3.3
175.11212	14.6
181.12228	4.4
193.12248	46.3
211.13264	63.9
227.12729	8.5
227.18610	2.8
229.14406	4.8
249.14868	3.5
250.92586	2.5
267.15848	17.0
273.15012	3.6
285.17014	13.7
337.16223	3.9
339.12076	2.9
355.17413	5.6
385.23486	3.5
393.18774	3.0
411.19989	6.3
425.25546	2.8
459.27414	8.3
477.28326	13.0
495.29245	8.8
597.16272	3.0
603.31458	3.3
621.32428	9.4
639.33911	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	639.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	15.8
53.53598	1.9
55.01873	17.8
55.05513	42.4
57.03437	15.7
57.07066	3.5
59.04992	2.4
65.03938	6.0
67.05502	100.0
69.03078	3.3
69.03426	40.4
69.03757	1.4
69.07068	25.6
69.24074	1.8
71.01340	6.5
71.04990	17.9
73.02914	4.1
76.95332	2.0
79.05492	63.5
81.03416	95.8
81.07056	98.6
83.01373	2.1
83.04982	29.8
83.08620	22.1
84.02814	2.4
85.02900	18.9
85.06532	2.4
87.04476	4.0
91.05479	47.3
91.06011	3.6
92.05780	2.2
92.06886	1.8
93.06467	4.6
93.07042	71.3
95.04967	25.0
95.08605	35.9
95.09179	3.8
97.02886	33.2
97.06539	15.7
97.10163	11.4
98.21526	5.5
99.04461	9.4
99.08101	6.2
101.02388	2.3
103.03930	2.5
105.04543	2.0
105.07038	28.1
107.04952	14.5
107.08595	38.1
109.02882	30.7
109.06510	8.7
109.10149	28.2
111.04431	14.0
111.08104	9.3
111.21784	1.8
113.06007	2.1
115.24918	2.0
117.07015	13.4
119.08576	18.5
121.06527	5.8
121.10152	25.0
123.04413	5.3
123.08060	5.5
123.11678	5.0
123.31927	1.9
125.09627	13.7
127.03916	23.7
128.06245	2.8
129.05479	3.0
129.07007	8.4
131.08556	20.2
133.06474	3.3
133.10153	14.4
135.08075	6.2
135.11673	18.4
135.33305	1.9
137.09625	3.5
139.11136	2.4
143.08568	4.7
145.06488	4.3
145.10085	14.4
147.04404	2.8
147.08055	4.7
147.11681	5.1
148.21417	2.0
149.09708	4.7
149.13249	17.8
151.11232	2.4
153.12718	12.0
156.59207	2.0
157.10126	3.0
159.08081	2.4
159.11678	11.8
161.09615	5.7
161.13242	3.2
163.11218	23.8
165.12761	2.9
169.10199	2.5
173.04472	31.9
173.09666	4.6
173.11749	8.5
175.11185	4.3
177.12700	5.6
181.12306	6.1
183.06526	4.2
189.11197	4.9
191.10658	10.1
193.12260	3.7
195.13783	14.8
209.11699	29.4
227.12793	32.3
229.14291	4.6
269.17468	15.7
271.13193	2.2
281.13779	2.3
283.15417	9.2
301.16455	4.1
335.14828	3.5
353.16013	9.2
377.19635	3.8
409.18561	4.2
423.27368	9.1
427.19556	7.6
431.36493	2.6
459.26880	4.0
477.28531	14.5
495.29507	9.4
603.32135	2.6
621.32690	12.3
639.33496	43.7
639.43469	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.4
53.75501	2.1
55.01869	9.2
55.05505	20.3
57.03425	11.2
57.07065	2.5
67.05503	37.0
69.03431	18.7
69.07076	13.2
70.71236	8.0
71.01349	2.1
71.04987	8.3
77.90422	1.8
79.05490	31.6
81.03413	100.0
81.07056	42.9
83.04981	22.5
83.08604	25.7
85.02899	17.7
85.06536	4.7
87.04468	2.2
87.56947	2.1
91.05477	38.0
93.07030	27.1
95.04970	32.7
95.08602	20.4
97.02887	20.4
97.06542	9.7
97.10175	7.6
99.04459	7.3
105.07023	28.1
107.04961	8.8
107.08595	19.9
109.02879	21.1
109.06512	7.4
109.10145	5.9
111.04430	11.5
111.08081	14.2
113.06003	3.4
117.07025	8.1
119.08556	22.5
121.06530	4.8
121.10130	14.1
123.04426	5.3
123.08054	3.9
123.11696	2.0
124.65677	2.3
125.09634	8.3
125.33734	2.5
127.03909	12.1
129.05452	3.6
129.06989	14.8
131.04901	2.9
131.08545	13.8
133.06502	5.0
133.10149	11.0
135.08066	2.7
135.11662	5.9
142.07768	3.0
145.10129	6.5
147.08075	4.3
147.11662	18.2
149.09630	6.7
149.13249	3.4
153.01805	5.1
155.08548	2.7
157.10112	13.6
159.08075	2.5
159.11693	2.6
161.09665	3.6
163.11185	7.4
165.09111	2.5
165.12747	5.1
173.04416	5.7
175.11162	13.3
181.12218	4.2
191.10667	6.8
193.12250	44.7
209.11780	3.2
211.13281	63.5
227.12827	8.2
229.14363	2.9
249.15022	2.5
267.15903	21.5
273.14984	2.8
282.59021	2.3
283.15588	3.5
285.17032	10.3
301.14383	4.3
337.16452	3.0
355.17462	7.0
367.23047	3.3
385.23468	3.6
393.19073	3.2
398.52762	2.5
403.24686	3.9
411.20105	5.2
429.21591	2.5
459.27399	9.1
477.28366	15.0
495.29321	17.5
621.32318	11.8
639.33673	45.0
640.34393	2.5
662.90009	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	3.2
51.02383	2.3
53.03944	14.0
55.01869	21.7
55.05513	31.4
57.03434	14.6
57.07074	14.0
58.26151	2.2
58.63857	2.1
59.05008	3.2
65.03932	4.1
67.05503	91.6
68.02646	2.4
69.03428	39.4
69.07063	27.0
70.53078	5.7
71.01337	4.7
71.04993	18.7
73.02898	5.6
79.05490	68.4
81.03417	100.0
81.07053	98.9
82.04206	2.9
83.04976	28.8
83.08621	20.9
85.02905	24.9
85.06539	7.7
91.05477	59.7
91.06017	4.5
91.63341	2.3
93.07040	60.8
95.04967	36.6
95.08604	32.0
97.02892	29.1
97.06525	13.8
97.10168	10.0
98.07302	3.5
99.04475	12.2
99.08080	5.4
105.04486	2.9
105.07021	32.2
107.04945	20.4
107.08585	32.0
109.02891	15.2
109.06520	10.3
109.10155	18.5
111.04432	12.6
111.08090	12.9
115.03937	4.1
115.05414	4.3
117.07013	16.2
119.08585	24.1
121.06489	16.3
121.10134	29.1
123.00587	2.1
123.04446	4.6
123.08051	6.1
123.11698	6.8
124.15706	2.2
125.09644	9.0
127.03899	13.4
127.11178	4.5
129.05452	5.8
129.07010	10.5
131.08551	20.3
133.06505	4.9
133.10104	20.5
135.04433	4.3
135.08049	6.8
135.11681	13.7
137.05968	2.9
137.09608	4.8
141.07005	2.5
141.74368	2.1
142.07755	3.5
145.10127	8.4
147.11679	14.6
149.06015	2.4
149.09616	8.2
149.13214	15.5
151.11142	2.3
153.12753	3.6
155.08626	2.9
157.06418	2.6
157.10110	8.8
159.11690	13.7
163.11197	8.9
165.09096	2.5
165.12778	7.3
169.10072	2.7
171.11578	2.9
173.04474	10.9
173.11813	4.4
173.13341	2.7
175.11217	5.3
175.89694	2.2
177.12805	6.1
181.12202	4.6
183.06464	2.2
183.11945	2.4
183.13815	3.1
187.11098	3.6
189.11255	2.5
191.10715	6.4
193.12242	9.7
195.13727	10.8
199.13264	3.1
209.08153	2.6
209.11690	7.0
211.13300	8.0
213.14813	2.5
227.12779	9.5
255.15923	2.8
261.14975	2.4
267.15869	6.8
269.17603	10.3
273.14941	2.7
283.15311	4.6
339.17944	6.6
395.20587	3.4
423.27469	4.8
427.20023	3.5
477.28326	8.7
621.32635	6.7
639.33673	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.3
53.03947	5.5
55.01867	3.2
57.03440	1.1
58.83679	0.8
65.03935	2.2
67.01864	2.0
68.99783	2.2
69.03431	7.5
70.04179	1.6
70.04590	2.7
71.01348	1.3
79.01850	3.4
81.03412	61.4
83.01336	0.9
84.77182	0.7
85.02895	4.3
92.99781	1.3
95.01304	5.0
97.02889	2.7
99.04449	1.3
101.02419	1.2
109.02874	36.2
111.00815	1.0
111.04414	1.0
113.02383	2.4
115.77335	0.7
119.01287	2.6
121.02864	3.5
123.00776	3.8
125.02357	1.1
127.00259	0.9
127.03899	8.4
127.04684	0.9
132.91901	0.7
137.02338	2.0
139.03880	1.2
140.41196	0.7
141.01840	2.4
147.00827	1.6
149.02371	4.5
150.48262	0.7
151.00275	2.2
153.01776	1.0
154.99748	0.8
163.03891	1.6
165.01845	12.1
167.03392	5.0
169.01352	1.9
177.01839	2.2
178.99536	0.8
181.01318	0.8
182.99248	1.9
187.03860	0.8
189.01631	0.8
191.03413	1.5
193.01315	93.0
194.01656	1.3
195.02821	1.9
201.71442	0.8
203.03291	1.0
205.01367	3.4
211.02394	3.1
217.01244	1.6
219.02867	1.9
221.00795	100.0
222.01079	2.8
231.02811	4.0
239.01830	6.9
245.00838	1.9
247.02379	15.9
259.02478	1.8
261.03922	1.3
263.01929	1.7
267.01352	1.2
273.00281	3.4
273.03986	0.8
275.01904	6.6
287.01627	1.0
289.03433	1.3
291.01483	1.5
297.40765	0.9
301.03506	2.1
302.00613	1.0
303.01294	10.1
319.00787	1.2
319.04553	0.9
365.05084	1.9
419.06335	1.1
429.04333	1.5
431.02563	2.0
447.05670	1.7
449.03476	3.6
459.01907	3.9
477.03058	7.4
603.05872	2.4
621.07208	6.9
639.08319	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	639.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11210	5.4
54.51045	5.3
56.70330	5.1
61.17123	5.2
84.60588	6.3
85.29599	6.2
100.51989	5.9
121.20005	6.3
130.84682	5.4
133.82324	5.4
201.87308	6.0
223.12338	6.7
224.13048	11.1
225.10376	7.4
225.13904	6.5
247.80060	5.6
249.84901	6.2
431.18115	8.9
444.19275	16.4
445.19989	8.3
448.18787	10.0
459.21677	81.2
460.22415	16.2
461.23883	10.7
475.21021	10.4
515.98169	7.2
519.24182	7.5
547.26984	34.9
551.26093	9.7
570.71869	6.2
579.25140	11.9
596.25793	9.5
606.28418	100.0
607.25433	34.8
611.28656	16.0
621.26703	7.9
624.25610	7.7
639.27789	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2806
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
59.79993	3.1
64.60959	3.0
70.75404	8.2
83.95640	2.4
142.22134	2.6
151.42056	2.7
391.18829	5.1
392.19955	6.0
405.20871	14.5
406.21478	5.5
407.22263	12.6
419.22577	8.1
420.23129	5.7
421.23898	20.1
433.23907	4.4
451.21478	19.3
452.21954	3.2
464.21716	3.6
465.22961	22.9
473.19455	3.2
475.25052	5.0
487.22275	4.0
488.22150	4.4
501.22580	4.2
503.24515	16.9
507.27411	13.1
508.28683	3.9
520.25055	3.5
535.27069	21.6
537.25055	6.4
551.26685	6.2
552.27356	33.5
561.24817	8.4
569.40033	2.9
577.68707	4.0
579.26117	14.8
580.26447	4.8
595.29395	14.2
621.27063	26.7
622.26605	3.4
639.27960	100.0
640.28583	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	639.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.4
55.01868	1.7
57.03432	1.7
59.54669	0.7
67.01853	1.0
69.03431	10.3
69.77280	1.2
69.77689	3.2
70.46630	0.7
81.03415	100.0
83.01327	1.4
85.02893	2.9
95.01321	3.6
97.02883	3.6
99.00816	5.3
99.04462	1.1
101.02357	0.7
106.66660	0.7
109.02872	51.1
113.02420	0.9
117.01820	1.1
127.03899	8.6
133.02779	0.9
137.02365	2.5
138.57314	0.7
139.03935	2.0
141.01819	2.0
149.02356	1.3
153.01904	0.9
155.03375	0.9
163.03935	2.3
165.01863	7.1
167.03433	2.9
177.01860	2.0
183.02916	1.5
188.98244	0.7
189.01865	2.0
191.03423	3.4
193.01312	17.2
193.02933	1.2
195.02913	1.5
201.01964	1.0
203.03497	1.5
205.01424	1.2
211.02411	1.9
217.01276	4.5
218.02289	0.9
219.02884	5.5
221.00803	52.5
222.01079	0.8
231.02937	2.0
239.01852	22.2
245.00864	6.9
245.55571	0.8
247.02336	5.6
252.68880	0.8
259.02472	1.2
263.02020	1.4
273.00308	4.9
274.01184	1.0
275.01898	7.5
277.03372	1.3
303.01389	3.1
431.02545	0.8
449.03436	12.4
477.03000	24.8
495.03885	3.7
553.67249	0.9
621.07404	7.7
639.08203	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.4
53.03947	7.7
55.01863	4.6
57.03425	1.7
65.03932	1.8
67.01823	1.9
68.99752	1.5
69.03426	10.6
71.04996	1.4
79.01847	3.3
81.03414	79.4
83.01326	1.8
85.02917	3.8
92.99755	2.5
93.03419	1.6
95.01315	6.4
97.02891	3.3
98.12330	1.4
98.21525	2.7
99.00826	3.1
99.04477	1.6
101.61195	1.5
109.02874	44.2
111.04450	1.6
113.02341	2.3
119.01318	3.3
121.02847	4.8
123.00768	3.3
125.02357	1.6
127.03899	9.2
137.02316	2.2
141.01804	3.9
149.02324	2.6
151.00262	2.9
153.01736	2.3
165.01837	13.8
167.03435	5.2
177.01794	2.4
182.99242	2.0
189.01865	2.0
191.03448	2.0
193.01317	80.5
195.02963	2.2
201.01723	2.2
203.03455	2.6
205.01392	2.1
211.02383	3.2
217.01271	1.4
219.02919	3.8
221.00790	100.0
231.02852	2.7
239.01834	13.6
245.00858	4.0
247.02361	15.5
259.02380	3.3
263.01746	2.1
273.00342	2.6
275.01782	10.5
296.28064	1.3
301.03354	2.5
303.01398	10.0
319.00726	2.4
365.05136	2.3
403.02802	1.6
431.02081	2.0
449.03412	6.6
459.01749	2.4
477.02887	12.1
495.03918	1.9
603.05884	1.6
621.07281	9.4
639.08246	12.7
639.24390	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14466	1.1
55.05510	2.0
57.07081	10.2
58.35384	1.2
65.03978	1.4
67.05496	1.4
70.84159	2.6
81.07061	1.3
83.04983	13.3
91.05499	2.1
93.26732	1.4
98.98537	1.3
105.07053	2.3
119.08598	1.5
141.06975	2.4
147.11670	10.0
149.82823	1.1
151.01607	2.1
159.08098	1.9
169.07738	1.3
175.01593	1.8
239.04755	2.8
284.00568	1.2
327.16058	1.8
331.74307	1.2
333.20319	1.5
337.02386	9.9
393.08636	5.9
469.12057	3.5
471.27292	2.3
525.17981	8.7
581.24341	35.1
582.24762	1.5
593.38367	2.0
612.76678	1.3
637.37341	100.0
638.37616	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15988	2.0
50.81305	2.1
53.03934	5.7
55.01863	2.9
55.05496	7.0
57.03439	16.0
57.07077	30.6
61.02929	56.8
67.05502	11.9
69.03427	27.1
69.07053	8.0
71.01347	2.2
71.04968	3.4
71.08630	19.9
71.58179	3.8
73.02915	15.0
79.05482	9.2
81.03408	19.3
81.07069	17.2
83.04977	3.3
83.08606	9.5
85.02901	70.8
85.10161	9.2
89.06020	2.7
91.03952	36.6
91.05465	6.7
93.07036	7.3
95.04960	3.5
95.08598	17.3
97.02888	58.7
97.10147	6.1
99.04440	9.2
101.02369	5.1
103.03922	5.9
105.07037	5.3
109.02878	12.4
109.10123	11.3
115.03930	6.0
115.15691	2.2
117.05502	2.9
119.08584	4.0
123.11716	3.3
127.03905	20.0
129.05527	4.1
131.08525	2.7
133.10149	3.3
145.04918	14.8
145.10098	3.0
159.06602	2.4
163.06056	5.3
183.06500	7.2
201.07558	8.1
227.20160	2.8
228.36876	2.1
239.23715	18.2
257.24664	2.7
259.63434	2.0
313.27359	100.0
319.68268	2.1
341.26724	3.7
439.30600	4.4
457.31464	10.1
470.95734	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	13.3
55.01871	11.8
55.05506	27.4
57.03444	14.3
59.05001	2.6
67.05497	36.2
69.03429	20.9
69.07061	10.0
70.83781	5.7
70.84118	3.0
71.01354	3.9
71.04994	14.6
71.95602	2.6
79.05499	35.4
81.03414	100.0
81.07057	41.3
83.01350	4.7
83.04978	23.9
83.08592	22.1
85.02910	17.0
85.06548	4.5
91.05477	33.5
93.07038	32.2
95.04964	29.8
95.08613	16.6
97.02888	18.9
97.06520	7.5
97.10169	9.1
99.04437	8.2
99.08111	4.5
103.05489	3.1
105.07035	24.6
107.04945	13.5
107.08579	24.2
109.02877	21.0
109.06503	9.2
109.10152	11.3
111.04436	14.3
111.08088	8.8
117.07023	8.3
119.08591	23.8
121.06524	8.8
121.10144	14.2
123.04457	3.5
123.08092	6.3
123.11658	3.0
125.06013	3.3
125.09650	5.5
127.03931	13.5
128.06207	3.3
129.07001	8.9
131.08521	13.3
133.06520	3.3
133.10149	9.1
135.08078	5.1
135.11681	10.5
137.09615	4.0
143.08598	4.9
145.06470	4.2
145.10103	17.4
147.08038	5.0
147.11624	13.2
149.05913	3.7
149.09584	6.7
149.36203	2.6
151.07390	3.0
153.01813	2.8
153.12764	10.4
157.10136	8.3
159.11737	4.4
161.13126	2.7
163.11185	24.6
165.09103	2.8
165.12772	4.8
170.76735	2.4
173.04462	7.4
173.09613	6.2
175.11182	8.4
181.12242	7.0
189.09212	2.5
189.11217	5.0
189.12799	2.8
191.10710	8.7
193.12225	31.8
205.12346	3.4
209.11784	9.7
211.13271	42.0
227.12787	15.6
249.14601	3.4
267.15900	10.7
273.14819	5.4
283.15454	10.8
289.14352	5.0
301.14331	5.3
337.16309	5.2
353.16119	5.4
355.17368	6.4
375.18213	3.3
383.22165	7.0
393.19284	2.9
401.23157	3.2
409.18695	3.7
411.20145	3.3
439.26126	2.9
457.25659	10.6
475.26648	22.2
493.27795	12.0
577.59161	3.0
619.30811	5.2
637.31830	52.4
665.76202	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	637.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.4
53.60894	1.7
55.01854	8.2
55.05509	21.9
57.03424	8.2
57.07062	2.1
57.63293	1.9
59.04982	2.4
61.02903	2.1
65.03539	1.6
65.03931	4.3
65.10761	1.6
67.05505	56.1
69.03432	20.0
69.07080	11.2
69.62411	14.2
71.04989	46.5
73.02930	2.0
79.05491	45.2
81.03418	100.0
81.07056	71.0
83.04987	14.4
83.08617	18.1
85.02918	12.7
85.06554	8.8
87.04430	1.9
91.04912	3.1
91.05476	62.5
93.07045	35.4
95.04964	37.2
95.08602	18.9
95.26886	1.8
97.02895	17.2
97.06512	7.9
97.10151	6.1
98.20792	3.7
99.04435	5.3
99.08097	2.9
100.88499	2.0
103.03934	2.1
103.05466	4.6
105.06317	2.0
105.07027	34.1
107.04939	12.0
107.08590	22.5
109.02882	21.4
109.06501	5.3
109.10155	8.7
111.04408	7.9
111.08111	8.7
115.05458	2.8
117.07009	10.7
119.04924	4.2
119.08587	17.6
121.02871	2.8
121.06489	7.7
121.10142	12.8
123.04422	5.2
123.08070	4.6
123.11683	8.2
125.09621	3.9
127.03911	7.2
128.06247	2.9
129.06996	13.5
131.04935	12.8
131.08566	14.6
133.06465	6.3
133.10126	22.5
135.04402	2.7
135.08057	4.4
135.11658	7.3
137.09601	2.6
142.07828	2.8
143.08528	5.1
145.06482	3.3
145.10107	5.7
147.04391	5.3
147.08044	4.1
147.11699	13.6
149.05904	2.3
149.09601	4.5
149.13290	10.8
151.11163	8.1
153.01781	2.3
155.08502	3.0
157.10126	9.6
159.08026	2.3
159.11696	11.6
161.05952	3.9
161.09569	4.3
163.11163	6.1
165.09103	3.7
165.12715	2.7
165.83229	1.7
167.08534	2.6
169.12274	2.0
171.07986	2.9
171.11674	3.8
173.04433	8.2
173.06006	4.7
175.11162	8.7
177.12781	6.9
183.13820	7.4
187.07559	3.0
187.13263	6.2
189.05527	2.5
189.08923	2.9
189.11195	3.7
193.12241	21.9
195.13818	5.6
201.14763	3.1
205.12173	2.4
206.12953	2.0
211.13280	7.6
225.78477	2.1
227.12897	2.9
235.13339	4.3
243.15948	2.7
249.14891	4.5
255.13789	3.2
257.17462	2.4
267.15921	7.7
269.17346	3.5
273.14847	12.9
281.17554	3.8
289.14490	3.0
301.14398	15.5
301.20132	3.0
303.15860	3.2
309.05908	2.1
319.15335	6.4
321.16785	2.4
327.11597	1.7
337.16669	3.1
339.18036	2.5
367.22696	2.1
375.17996	5.4
393.18954	4.9
427.23270	2.6
435.27649	3.8
449.29025	4.4
461.28775	3.3
467.30045	3.3
495.27136	2.0
543.29443	2.5
561.30640	2.9
569.30408	2.3
587.32117	2.8
589.33972	2.3
601.33667	3.2
605.32935	6.9
619.34137	4.2
637.36023	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48312	1.5
67.05494	3.4
70.16569	8.0
79.05507	2.2
81.03400	2.0
81.07070	3.3
90.60335	1.7
91.05455	1.5
93.07050	2.0
94.91218	1.7
119.08562	1.8
133.06775	1.5
142.27483	1.5
147.35907	1.6
168.63585	1.5
171.96965	1.6
275.52020	1.8
286.50079	1.6
386.15417	1.7
393.20557	2.3
399.16327	2.1
400.17142	3.1
401.17920	2.9
403.19586	1.9
407.22113	3.5
413.17731	2.1
414.18372	4.4
415.19043	8.3
416.20355	2.0
421.19983	1.7
425.17731	2.6
427.19113	1.9
428.20139	3.1
429.21396	7.8
441.17010	2.4
443.22778	4.5
444.19037	4.3
445.19858	2.6
457.20126	6.3
458.20975	5.9
471.22052	7.7
472.22910	4.7
473.19647	5.3
485.19885	4.2
486.20502	5.9
487.21399	3.0
489.23169	2.3
497.15063	1.7
499.21390	9.4
500.21814	3.5
503.24521	3.0
516.21576	1.9
517.21881	2.5
527.20673	2.3
531.23834	12.3
559.23401	100.0
560.23395	2.6
587.22925	15.4
619.25464	88.1
620.25916	1.8
637.27081	9.1
637.40869	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	637.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
63.53187	3.3
64.96601	2.8
67.05492	7.2
69.07063	3.9
70.18790	14.4
72.90418	3.1
79.05466	6.8
81.03373	5.7
81.07050	7.9
93.07018	4.2
95.08611	5.0
97.10155	3.6
105.07039	3.9
109.10123	3.6
129.06984	3.5
377.17502	4.9
391.19254	6.7
393.20596	8.7
401.17453	4.3
407.22110	8.1
413.17511	3.7
414.18250	7.2
415.19247	8.1
419.18155	4.0
421.19876	4.2
427.18552	3.6
428.20297	4.9
429.20618	11.6
435.21744	8.1
447.17920	3.9
448.18668	4.2
457.20334	4.4
458.21146	4.6
463.21063	3.9
471.21341	9.8
485.19653	7.7
486.20508	4.7
489.22006	4.2
490.19611	6.1
499.20859	10.7
503.24347	3.9
513.18811	6.4
516.21008	3.7
517.22217	14.7
531.23431	10.9
549.24774	9.5
559.23230	90.7
587.23059	17.2
591.25958	4.0
605.23572	13.4
619.25391	79.3
637.26508	100.0
637.36603	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	637.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.8
55.01869	11.0
55.05509	25.8
57.03438	11.9
57.07069	1.9
59.04997	3.0
65.03926	3.3
67.05501	73.9
68.05835	3.9
69.03429	23.4
69.07075	11.0
71.01351	3.5
71.04980	8.8
71.57706	1.6
71.58181	2.3
73.02906	3.3
77.77316	1.6
79.05060	2.7
79.05492	39.8
81.03416	100.0
81.07052	39.5
83.04986	23.0
83.08613	22.8
83.72095	1.7
85.02898	25.6
85.06535	4.4
87.96197	1.4
91.04908	2.1
91.05476	35.9
92.05775	1.8
93.07040	28.5
94.26546	1.5
95.01376	1.5
95.04960	29.3
95.08600	16.9
97.02886	19.3
97.06542	8.2
97.10156	11.1
99.04463	7.6
100.63837	1.7
101.02350	2.5
105.07029	25.7
107.04962	18.4
107.08582	16.0
109.02881	19.3
109.06490	9.3
109.10157	30.9
110.10474	4.1
111.04446	14.6
111.08089	11.0
115.05433	3.8
115.32200	1.7
117.06998	11.2
119.08585	18.7
121.02837	3.1
121.06460	7.9
121.10124	13.2
123.04411	5.2
123.08070	4.9
123.11687	2.1
125.02309	2.1
125.06001	3.1
125.09602	8.1
127.03917	13.8
128.06253	2.6
129.06996	10.8
131.04951	4.0
131.08566	13.5
133.06474	6.0
133.10136	8.5
135.04419	4.4
135.08081	3.9
135.11639	8.1
137.05959	3.6
137.09608	3.5
141.07001	1.8
142.07750	3.0
143.08553	3.2
145.06482	3.8
145.10138	11.1
147.04366	2.6
147.08031	5.6
147.11682	15.1
149.09622	6.9
151.03885	2.8
151.11226	2.1
153.01846	2.0
153.12758	5.5
157.10123	10.6
159.08009	1.8
161.05971	2.2
161.09663	3.3
161.13277	1.9
163.11172	14.3
165.09120	2.8
165.12715	2.3
171.11740	1.6
173.04482	5.2
173.05963	2.0
173.09613	4.0
173.11722	7.2
173.13167	2.6
175.11166	9.4
181.12222	6.6
187.11116	2.5
189.11223	5.8
191.10649	7.8
193.12236	28.4
194.12582	3.2
207.74393	1.7
209.11703	5.7
211.13271	38.5
211.15262	2.4
212.13640	7.5
219.13777	2.7
227.12685	12.6
229.14325	15.9
230.14766	7.7
247.13303	3.2
249.14836	1.9
265.14392	2.6
267.15936	9.6
273.14877	4.1
283.15442	5.1
285.17056	8.1
286.17297	3.6
289.14331	3.9
301.14050	3.4
307.15305	2.1
337.16733	1.9
353.15729	3.7
355.17648	4.3
381.31195	1.9
383.22025	4.1
391.23901	1.9
401.23218	2.1
421.25565	4.3
422.26215	3.4
439.26740	8.5
440.27216	21.6
457.25650	2.1
475.26746	10.1
493.27835	4.0
569.23065	1.8
619.30676	5.2
637.32080	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	1.0
56.74163	0.6
66.91557	0.8
67.05509	1.0
67.10161	0.7
69.59159	6.2
72.09422	0.7
72.76751	0.6
79.05462	0.7
81.07027	1.0
92.16773	0.7
98.20734	1.0
105.06954	0.8
107.08594	0.7
125.37192	0.6
174.15523	0.8
259.76944	0.8
327.15610	2.4
327.89893	0.8
331.18835	2.3
376.17764	0.7
469.25568	2.7
487.26813	0.9
573.14276	0.8
591.36658	2.2
635.35370	100.0
636.36115	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	636.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61321	0.8
53.03950	2.3
55.01862	2.9
55.05511	13.2
57.03437	11.2
59.04994	3.0
61.02924	6.1
65.03939	2.9
67.05505	71.1
69.03421	5.8
69.07063	4.7
70.25684	3.4
71.04977	4.4
73.02908	1.8
75.60059	1.0
79.05483	13.3
81.03413	38.9
81.07053	25.7
83.04977	8.8
83.08611	15.4
85.02903	16.5
85.06551	3.8
91.03942	2.4
91.05478	22.3
93.07033	12.2
95.04968	16.6
95.08599	10.8
97.02888	3.7
97.06522	2.1
97.10173	2.9
105.07030	12.0
107.04947	4.2
107.08591	6.5
109.06484	3.2
109.10152	58.7
111.04440	1.2
111.08080	8.1
114.57537	1.0
117.06983	2.0
119.08580	12.4
121.06493	1.4
121.10146	5.6
123.08112	2.1
123.11692	1.4
125.09682	1.0
129.07011	6.5
131.05153	1.0
131.08537	7.9
133.06442	1.3
133.10150	5.9
137.09598	4.0
142.07808	1.3
145.10156	2.2
147.08110	2.4
147.11702	8.3
149.09598	3.4
155.10637	2.9
157.10141	8.4
159.62537	1.0
165.12779	2.5
173.11739	15.4
175.11121	7.9
193.12244	29.9
196.93300	1.0
211.13292	46.0
221.80415	1.0
229.14340	62.7
267.15903	13.5
285.16956	38.0
403.24762	1.3
421.25937	16.4
439.26895	100.0
440.27136	2.9
583.06915	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05778	1.2
53.03936	4.1
55.01863	3.3
55.05508	12.1
57.03435	12.7
57.07072	1.5
59.04999	4.1
61.02914	3.1
65.03929	2.0
67.05501	76.3
68.97726	1.2
69.03423	7.0
69.07070	5.4
71.04995	7.4
73.02923	1.4
79.05492	20.3
81.03416	51.7
81.07053	27.9
83.04983	13.2
83.08619	19.3
85.02901	18.9
85.06536	4.1
91.03963	2.1
91.05475	29.2
93.07043	16.8
95.04967	20.5
95.08601	12.0
97.02895	7.2
97.06545	4.1
97.10177	3.9
98.21524	2.4
99.04441	2.7
99.08066	1.2
100.52500	1.1
103.05423	1.7
105.07026	12.4
107.04951	6.3
107.08594	7.1
109.02867	5.0
109.06503	4.0
109.10152	65.3
111.04447	3.8
111.08073	9.4
111.59446	1.2
115.05436	1.7
117.07026	2.5
119.08575	18.6
121.06522	2.2
121.10137	7.3
123.08044	3.3
123.11690	1.5
125.09632	2.2
127.03868	3.0
128.06195	1.4
129.07001	6.6
131.04912	1.4
131.08597	7.4
133.06439	1.3
133.10138	8.3
135.11690	2.8
137.09610	3.8
142.07748	2.0
145.06500	1.5
145.10132	3.2
147.08076	3.9
147.11664	10.3
149.09615	4.3
155.10677	4.0
157.10109	8.1
163.11258	1.9
165.12753	3.6
173.09628	1.4
173.10106	1.4
173.11746	19.9
173.13194	2.4
175.11171	10.3
189.67395	1.1
193.12222	29.2
211.13286	46.4
218.36795	1.2
227.12752	2.3
229.14337	63.1
230.14688	1.1
231.13702	1.2
240.48016	1.2
249.14774	1.4
267.15924	15.5
285.14035	2.5
285.16983	31.2
374.74820	1.3
403.24869	1.5
421.25833	16.9
439.26889	100.0
440.27258	3.4
636.31793	1.5
637.32086	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	635.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.8
55.01862	16.5
55.05275	1.4
55.05512	25.8
56.18327	1.4
57.03428	7.8
57.07070	1.5
59.04999	3.0
65.03944	2.6
67.05135	1.6
67.05500	30.0
69.03425	22.4
69.07066	8.7
69.60092	10.3
71.01353	3.4
71.04978	12.1
79.05069	2.6
79.05495	40.3
79.05943	1.3
81.03416	100.0
81.07048	31.9
83.01349	9.8
83.04980	25.7
83.08613	14.7
85.02894	12.3
85.06569	2.1
91.05479	28.7
93.07043	35.8
95.04967	20.1
95.08600	17.9
97.02898	19.8
97.06538	8.6
97.10144	6.8
98.20807	3.2
99.04463	11.5
101.87830	1.6
105.07019	20.5
107.04963	16.0
107.08585	25.8
109.02219	2.1
109.02875	20.9
109.06534	9.9
109.10161	13.2
111.04445	11.8
111.08083	7.1
115.05447	2.1
117.07010	12.9
119.04944	1.5
119.08583	21.2
121.06490	5.9
121.10139	17.8
123.04364	2.5
123.08064	9.5
123.11729	3.6
125.05994	4.1
125.09633	5.4
127.03925	18.1
129.07019	5.9
131.04884	3.1
131.08560	8.1
133.10129	7.4
135.08028	5.3
135.11684	17.6
137.09605	4.7
143.08545	3.4
145.10150	21.1
147.08014	3.2
147.11658	5.3
149.09598	3.0
153.12762	13.8
155.08598	1.8
157.10135	3.1
159.11656	4.8
161.09648	1.9
161.13361	2.0
163.09860	2.4
163.11176	42.1
165.09111	7.7
167.06949	1.9
171.11700	2.4
173.04483	3.5
173.09660	4.9
177.09071	1.7
179.84282	1.7
181.12221	12.0
183.06470	2.1
185.13258	1.8
189.09143	2.7
189.11104	3.7
191.10678	7.3
193.12273	2.3
196.45851	1.9
205.12088	1.9
205.15869	4.1
209.11691	13.2
211.13245	1.9
219.13618	1.9
227.12733	22.3
269.22717	1.7
283.15317	4.3
287.23697	4.9
289.14392	2.0
335.14865	2.7
353.15973	18.9
399.21552	2.0
409.18527	5.3
440.44183	1.7
482.30103	1.8
491.26642	5.2
561.26422	2.6
589.41040	2.0
635.30322	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	635.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	14.3
55.01862	7.1
55.05507	26.6
57.01876	1.9
57.03432	6.9
58.02065	1.9
65.03931	4.3
67.05504	54.5
69.03429	18.6
69.07079	11.7
71.04987	8.5
75.75885	2.5
76.00154	2.3
79.05017	2.6
79.05488	63.0
81.03416	100.0
81.07051	55.7
83.04967	23.2
83.08611	18.2
84.45821	2.2
85.02913	15.5
85.06530	2.5
91.05475	62.2
91.31378	1.9
93.07040	56.9
95.04959	31.7
95.08596	24.4
97.02882	14.3
97.06521	5.4
97.10144	4.3
99.04453	5.3
103.05479	2.1
105.07022	49.0
107.04966	10.4
107.08586	19.3
109.02876	15.0
109.06520	7.2
109.10147	9.1
111.04446	13.7
111.08076	11.2
115.05483	3.2
117.07012	9.4
119.08581	28.2
121.06493	5.2
121.10113	11.7
123.04429	2.1
123.08053	4.8
123.11710	2.9
125.09642	3.2
127.00483	2.2
127.03920	12.9
129.06996	18.0
131.08601	10.2
133.06464	4.4
133.10143	10.2
135.11703	5.3
137.09560	3.1
143.08588	8.1
145.10114	11.6
147.08029	5.0
147.11678	40.7
149.09630	6.4
153.12744	4.8
155.08426	2.2
157.10144	10.0
159.08092	2.3
161.09579	5.6
161.13222	8.7
163.11195	4.7
169.10048	2.7
171.11665	24.6
173.04518	2.4
175.11205	8.5
181.12222	4.4
189.12686	10.4
193.12225	32.2
207.01715	2.3
207.13788	20.6
209.11722	2.3
211.13274	47.4
222.84174	2.1
225.14586	2.5
227.12769	7.3
249.08582	2.3
250.09798	2.5
267.15894	8.1
281.17471	16.3
327.91455	2.9
337.16409	3.4
342.85095	2.2
355.17596	11.7
373.53589	2.3
399.25638	3.6
411.20026	4.8
473.28888	8.9
491.29959	8.9
600.39941	2.3
617.32410	4.4
635.34113	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.01865	6.8
55.05508	18.4
57.03431	15.1
57.07065	1.3
59.04998	5.4
61.02923	7.0
65.03954	1.7
67.05502	77.7
69.03423	3.8
69.07067	5.3
69.78580	1.4
71.04980	5.9
71.57607	1.5
71.58126	2.3
79.05493	18.3
81.03410	11.2
81.07053	25.5
83.01339	4.0
83.04965	9.4
83.08612	14.9
83.27117	1.5
85.02901	11.9
85.06504	3.5
86.34641	1.2
88.33227	1.7
91.03957	3.1
91.05485	13.0
93.07040	21.3
95.04956	6.0
95.08593	13.3
96.17344	1.5
97.02892	5.1
97.06528	3.2
99.04451	3.8
105.07023	7.8
107.04945	6.5
107.08591	13.2
109.02844	2.3
109.05859	1.3
109.06478	7.3
109.10150	79.8
111.04443	1.6
111.08073	5.0
117.07037	6.6
119.08585	16.7
121.06491	3.2
121.10138	7.3
123.08062	6.5
125.05991	2.4
129.07021	2.8
130.07777	2.0
131.08528	2.2
133.10135	3.9
135.08105	1.6
135.11662	10.1
137.09608	5.4
143.08577	1.5
145.10117	13.1
147.08005	3.3
147.11723	2.1
153.12746	2.3
155.08588	2.0
155.10635	2.8
163.11176	22.3
173.09637	3.5
173.11758	23.7
181.12279	3.3
191.10651	3.3
196.42920	1.5
209.11691	5.7
227.12755	4.3
229.14340	94.4
283.15375	79.7
437.25342	100.0
438.25598	1.9
634.40002	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	635.286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60679	3.0
57.07060	5.2
61.14810	2.9
71.01110	7.5
71.08622	3.8
71.35072	3.4
78.70952	3.5
192.68396	3.3
215.26216	3.3
241.57025	2.9
243.62990	3.6
248.05717	3.1
250.19002	3.3
416.37582	3.9
431.18448	3.8
433.23944	5.8
445.20212	8.0
459.21677	5.4
460.22214	5.0
461.23090	6.6
489.22906	3.8
523.39722	10.6
533.40271	3.7
547.26715	10.2
575.26440	27.3
635.28406	100.0
635.36462	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	633.1075
Annotation	Myricetin 3-(6''-galloylgalactoside)
Peak:m/z	Relative Intensity
52.81969	0.5
53.03934	2.0
55.01860	1.4
57.03437	1.3
67.01859	0.8
68.99797	1.3
69.03424	5.6
69.93011	0.9
69.93429	3.0
71.04994	1.5
79.01833	4.5
81.03414	12.3
85.02908	5.8
91.05501	0.8
91.45122	0.8
97.02879	6.7
99.04434	2.3
102.52991	0.6
107.01315	1.9
109.02881	7.0
111.00752	0.8
111.68932	0.6
113.02353	3.5
121.02873	1.5
123.04429	0.8
125.02356	5.4
127.03930	6.6
131.04831	0.8
137.02332	4.6
141.01869	1.7
143.03410	6.7
149.02362	0.9
153.01820	100.0
154.02209	1.1
163.03879	0.7
165.01846	1.9
169.01314	43.3
171.02881	8.7
177.05415	0.7
181.01358	0.8
183.02893	0.9
187.02368	2.7
201.05484	1.4
205.04808	0.7
217.05028	1.3
229.04919	5.0
232.17589	0.6
245.04497	1.7
257.04431	2.7
273.03995	2.0
274.04538	0.6
285.03955	1.0
286.97116	0.7
297.06036	9.0
301.03558	0.7
303.04974	94.5
304.05289	1.6
313.05478	2.0
315.07089	2.5
317.02783	0.6
318.03418	0.7
319.04462	53.9
328.45657	0.6
331.10150	2.2
335.24121	0.6
377.01816	4.4
395.02744	2.3
475.32861	0.6
530.54742	0.7
633.14038	9.8
649.09967	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01866	3.5
55.05515	19.8
57.03435	5.3
57.07074	2.1
59.05006	3.5
64.83754	1.2
65.03950	3.9
67.05506	100.0
69.03431	30.4
69.07059	12.0
71.01334	1.6
71.05000	5.6
71.19455	2.4
79.05493	36.9
81.03426	21.7
81.07060	38.4
81.29659	1.3
83.04993	6.9
83.08615	9.7
85.02921	5.4
85.06528	2.9
85.86443	1.2
91.05482	30.3
93.07045	31.9
93.50211	1.4
95.04967	10.8
95.08604	28.2
97.02895	5.5
97.06538	3.3
97.10161	6.7
99.04450	2.3
105.07044	23.0
105.22729	1.2
107.04967	4.5
107.08601	18.6
107.23957	1.4
109.02881	5.5
109.06530	6.1
109.10157	54.3
111.04456	5.9
111.08098	4.8
113.05990	1.3
115.05453	2.4
117.07021	14.3
119.08590	21.1
121.06550	3.7
121.10144	12.4
123.08070	4.1
123.11671	2.1
123.22730	1.2
125.05959	1.5
125.09649	4.4
127.03914	3.6
128.06212	3.1
129.06999	10.5
131.08569	19.3
133.06505	3.5
133.10133	12.8
135.08055	3.8
135.11696	7.7
137.09636	6.4
141.07010	2.8
142.07755	2.1
143.08528	8.6
145.06482	2.4
145.10126	12.9
146.07280	1.4
147.08044	3.5
147.11713	8.1
149.09566	3.9
149.13255	4.8
151.07520	1.9
151.53247	1.5
155.08575	3.9
155.10693	3.2
157.06468	1.9
157.10176	7.7
159.08054	3.6
159.11703	10.6
161.09657	5.4
161.13275	4.8
163.11215	1.8
167.08591	2.8
169.10156	4.2
171.08064	2.3
171.10338	2.0
171.11687	6.5
173.09657	2.2
173.10326	2.0
173.11755	16.2
173.13252	4.4
175.11159	3.2
175.14835	2.0
179.10745	1.7
181.10185	1.4
185.09781	2.8
185.13298	4.8
187.11244	3.3
187.14842	2.0
189.11221	4.0
189.12819	2.0
195.11732	2.5
197.13347	3.1
199.11250	1.7
199.14828	3.0
209.13434	2.1
219.11758	1.6
219.13814	1.7
223.14923	1.7
227.12683	1.9
228.72823	1.6
229.14323	16.4
243.90005	1.7
244.83954	1.4
259.20657	3.1
261.22101	1.9
271.15259	1.5
277.21674	4.0
283.20520	1.6
289.21655	2.1
299.14935	2.0
301.21698	6.4
315.23099	2.8
319.22717	3.1
327.15735	4.4
327.22986	2.2
328.15921	6.1
329.16486	4.0
333.21838	1.8
339.23215	1.7
341.24756	3.9
345.24191	2.0
346.11084	1.4
351.23157	6.3
353.24826	2.7
355.17392	2.5
369.24304	9.2
387.25165	6.6
405.26337	3.2
443.27863	3.0
461.29022	4.6
541.36279	1.6
585.37598	2.0
597.37677	5.8
615.38727	9.0
633.40698	32.2
634.40234	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1077
Annotation	Myricetin 3-(2''-galloylgalactoside)
Peak:m/z	Relative Intensity
51.02380	0.6
55.01869	0.8
65.03936	0.6
68.99775	1.2
69.03431	1.8
70.82111	1.2
71.04984	0.5
79.01835	3.6
81.03406	1.7
85.02899	2.9
85.99589	0.5
95.01318	1.2
95.04984	0.7
97.02879	2.9
101.23983	0.5
107.01346	1.3
109.02890	2.8
109.26250	0.6
111.00758	1.2
113.02359	2.3
121.02824	1.3
123.04464	0.8
125.02357	3.6
127.03883	2.8
128.01077	0.7
137.02365	4.3
137.06015	1.4
143.03389	7.4
145.06395	0.6
149.02299	0.8
149.25487	0.5
153.01823	100.0
154.02164	1.1
161.05946	0.8
163.03911	1.3
165.01866	2.4
169.01321	37.4
171.02896	1.0
177.05505	0.6
179.03384	0.7
181.01294	1.2
183.02992	0.8
191.03455	0.8
195.02939	1.2
201.05383	1.4
211.02344	2.4
214.03931	0.6
217.04921	1.3
229.04985	3.1
245.04510	2.2
250.42545	0.5
257.04510	2.0
263.05527	0.6
273.04056	2.6
285.03720	0.9
297.05917	1.0
301.03464	1.3
303.04977	76.5
304.05350	1.5
315.07129	4.7
319.04480	63.2
320.04831	1.0
321.05966	0.7
471.14755	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55677	9.0
50.68818	8.5
53.03938	19.5
55.01858	10.3
55.05511	11.1
65.06396	8.8
67.05492	15.6
68.84793	12.5
69.07059	20.1
69.24922	100.0
79.05489	41.0
81.03419	18.2
81.07036	19.5
83.08615	8.9
83.09267	7.6
91.05473	28.6
93.07024	29.6
95.04972	39.0
95.08608	10.7
98.38065	9.1
105.07032	13.4
107.04924	10.1
119.08592	11.1
121.06491	20.8
131.08612	10.6
139.07535	36.0
149.09589	8.5
151.11201	17.2
156.66846	10.1
163.11157	9.4
169.34421	8.5
193.12245	66.7
221.76974	9.3
237.09477	8.9
273.18570	12.9
291.19482	72.7
309.20508	16.4
430.82941	9.4
441.80344	8.8
468.41403	10.2
625.56342	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	632.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.3
55.01866	17.9
55.05513	42.4
62.21672	4.0
67.05503	38.3
69.03432	5.0
69.07063	16.7
71.05009	5.3
79.05493	45.3
81.03411	16.9
81.07051	77.2
83.04983	14.7
83.08618	23.0
91.05489	30.4
91.26166	5.1
93.07041	35.5
94.05843	4.0
95.04971	55.2
95.08601	13.5
97.06541	4.8
97.10177	21.1
105.07044	13.0
107.04953	76.7
107.08599	16.1
109.06531	8.5
109.10163	14.4
111.04447	17.4
111.08097	15.4
117.07038	13.3
119.08557	23.0
121.06519	17.0
121.10154	15.0
123.08076	12.0
125.09620	20.0
129.06943	4.9
131.08536	11.8
133.10107	9.1
135.08061	6.9
135.11699	13.8
139.07564	17.5
143.08580	8.5
145.10138	16.2
147.08060	12.1
147.11751	6.4
149.09621	27.9
151.11214	4.9
153.09128	9.4
153.12749	8.4
159.11682	6.7
163.11191	20.8
180.83742	4.1
181.12213	10.6
189.11218	16.5
191.10695	14.1
205.12308	4.7
209.11581	6.5
216.73154	4.0
223.13251	26.4
227.12785	17.1
229.25999	5.2
249.14915	7.8
250.01660	4.3
257.19196	4.8
273.18445	24.0
275.19992	16.4
291.16498	7.7
291.19543	95.8
293.21103	100.0
309.20599	6.2
389.62570	4.0
469.34000	4.3
500.93277	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	631.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01866	0.6
55.05510	18.6
58.99849	0.7
62.44195	0.4
67.05504	2.2
69.03411	0.7
69.07075	0.7
77.00900	4.6
79.05491	12.1
81.03403	1.3
81.07051	1.3
91.05473	3.3
93.07034	5.1
95.01946	4.8
95.04954	4.2
95.08630	1.3
98.21534	0.9
98.82628	0.5
100.02489	0.7
105.04497	0.7
105.07021	1.6
107.04949	100.0
107.08609	1.4
109.10091	0.6
119.08566	1.1
121.06546	1.3
121.10113	2.4
125.04491	7.0
129.07019	1.0
131.08556	2.8
133.10155	0.6
135.08034	0.5
141.03946	2.3
143.05499	0.8
145.10112	1.0
147.08119	0.9
149.09610	13.4
151.14941	0.5
155.05559	0.6
155.08568	0.7
157.09993	0.5
159.05031	4.7
159.11649	0.8
161.04462	0.7
167.05556	1.7
167.08252	0.4
169.10112	0.6
171.05035	0.6
171.11661	0.6
173.06613	1.6
179.05513	2.3
185.06624	3.9
185.13313	1.0
185.16370	0.4
195.05026	1.1
197.06589	44.4
198.06908	0.5
214.30922	0.5
215.07629	16.1
216.07942	0.5
220.08189	7.4
225.09741	3.6
229.38611	0.6
238.09357	0.7
243.10800	9.9
248.11398	0.9
266.12408	1.2
283.15311	0.9
285.09692	1.0
289.12903	0.5
299.11322	2.8
299.14609	1.0
301.16443	3.5
309.13354	0.8
317.12344	3.4
317.15765	0.9
319.17526	2.0
324.18036	1.3
327.14340	5.0
335.13547	1.0
340.14310	0.7
345.15454	22.6
347.21063	0.6
355.17520	1.6
363.16501	18.2
368.17078	6.5
373.18555	5.2
386.18042	1.9
391.19598	5.1
396.20233	1.2
414.21045	0.6
465.21616	0.9
493.24448	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.05269	1.1
55.05510	19.6
67.05500	3.2
69.03445	0.7
69.07037	1.3
71.57670	1.1
77.00909	4.1
79.05489	10.5
81.03468	0.9
81.07035	1.9
83.04973	0.9
91.05472	3.4
93.07033	3.5
95.01941	3.3
95.04977	4.3
95.08604	1.1
105.04488	0.8
105.07021	2.8
107.04948	100.0
107.08599	1.8
118.03516	0.7
119.08572	1.5
121.06478	0.8
121.10153	1.9
125.04528	4.4
125.05960	0.8
131.08569	2.3
133.10112	1.4
135.11737	0.9
141.03987	2.8
143.08620	0.7
149.09615	5.6
151.07553	0.9
155.05592	1.2
159.05049	7.2
161.04401	0.6
167.05577	2.4
173.06613	1.3
179.05568	3.0
185.06625	4.2
195.05066	1.1
196.08290	0.8
197.06587	63.2
198.06706	1.7
215.07637	29.5
220.08202	9.9
225.09712	1.3
238.09250	2.2
243.10759	7.4
264.53473	0.8
279.10913	0.8
285.09610	0.8
299.11215	4.8
301.16449	1.7
317.12402	3.9
319.17804	1.0
327.15463	5.5
335.13406	1.2
345.15454	21.5
355.16922	0.8
363.16476	21.0
368.16956	5.4
386.18051	2.4
391.19507	3.7
465.21252	1.6
493.24445	1.3
511.25244	1.5
631.31293	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86200	2.2
53.03930	8.8
55.01870	14.4
55.05503	7.5
57.03445	3.1
57.07068	2.3
65.03925	4.3
67.05518	11.1
69.03433	13.9
69.07056	5.7
71.04985	3.1
71.58118	3.0
74.38438	2.0
76.09750	1.9
77.03905	2.2
79.05492	39.1
81.03422	20.3
81.07060	23.3
83.04977	5.5
83.08607	3.5
85.02909	27.1
85.06565	4.5
91.05474	44.8
93.03381	2.6
93.07043	44.7
94.04164	4.6
95.04958	19.4
95.08618	13.5
97.02881	8.2
97.06523	6.0
99.04439	3.8
99.08143	2.8
103.05457	6.2
105.07037	17.0
107.04941	8.5
107.08603	12.5
109.02869	7.3
109.06524	12.6
109.10172	4.8
111.04433	10.7
111.08055	9.2
113.22771	2.4
115.05449	5.4
117.07014	10.0
119.04953	14.2
119.08557	7.4
121.05724	3.8
121.06490	22.6
121.10159	7.0
122.03649	7.1
123.08044	7.5
123.11674	2.9
125.05966	4.0
125.09615	2.7
127.03885	13.3
127.07576	2.4
128.06175	2.9
129.07001	12.5
131.04909	13.8
131.08539	6.7
133.06480	7.5
133.10104	4.2
135.08044	8.8
135.11684	2.8
136.05228	2.5
137.05968	100.0
137.09583	5.0
138.06313	3.0
139.07515	30.1
141.06964	2.8
145.04915	2.8
145.06479	8.8
145.10167	2.3
147.04370	4.3
147.07938	5.1
149.05995	9.1
151.03920	7.1
151.07541	91.2
151.11157	2.5
153.01823	10.1
153.06978	4.2
155.08548	3.4
157.06503	12.7
157.10072	2.6
159.08086	4.0
159.11665	2.9
160.05179	2.7
161.05983	15.9
161.09622	3.0
163.07547	24.5
165.06995	7.0
165.09122	7.2
167.07079	5.8
167.08556	10.5
169.06462	4.0
171.08035	3.4
173.06033	2.3
173.09601	2.5
174.06757	5.7
175.07523	17.9
177.09082	13.6
178.07816	2.9
179.07098	4.3
179.08517	3.7
181.04980	3.0
181.06448	4.5
181.08589	2.4
181.10132	3.2
182.07263	3.5
183.08011	5.5
185.09669	3.2
187.07550	8.1
189.09074	25.4
191.10666	6.4
193.06505	3.9
193.08530	2.6
193.10167	4.0
194.07207	4.4
195.08067	13.7
195.10162	25.2
196.08789	2.7
197.05948	3.0
197.09554	3.9
199.07538	3.9
199.11232	2.3
200.08408	2.6
201.09070	7.0
203.06837	2.3
203.08601	4.0
203.10431	2.6
207.08185	2.3
207.10109	5.5
209.09642	6.6
210.06801	3.5
211.07448	2.9
212.08250	3.8
213.09129	5.6
215.10577	3.7
217.08640	3.9
217.12283	3.2
219.10030	4.3
220.08884	2.6
221.06053	4.7
221.09596	8.0
222.06711	3.1
223.07524	3.9
224.08372	2.2
225.09126	9.1
227.10645	16.2
237.09058	3.8
239.10788	5.3
241.12207	2.8
243.10172	5.2
249.09064	3.0
251.10667	6.5
253.08646	7.0
253.12119	6.3
254.09444	2.9
255.10100	11.3
257.11847	4.4
265.08456	3.0
267.10147	3.2
269.08258	2.9
269.11743	8.1
281.11792	5.6
281.24771	4.3
285.11365	9.1
287.12784	36.0
291.09943	4.6
295.13739	3.3
299.12863	5.1
303.05035	5.4
309.11349	4.3
311.12820	5.5
313.14285	21.0
331.15475	35.5
335.12640	3.5
341.13962	2.5
343.15436	4.3
347.12558	2.5
352.41190	2.2
367.15518	3.8
401.17325	3.3
433.19925	8.8
451.21277	19.2
469.21832	3.5
577.15631	2.6
577.23877	10.5
595.25476	6.3
613.26196	8.2
631.25269	3.3
631.36835	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.0
55.01863	13.7
55.05507	37.1
57.03434	2.2
64.14992	1.8
67.05504	17.9
68.59051	2.1
69.07063	6.8
69.24858	15.0
69.25281	9.9
79.05491	46.2
80.05824	2.2
81.03413	5.4
81.07052	63.4
83.04969	8.6
83.08615	8.2
85.02897	4.4
87.42411	1.9
91.05473	23.9
91.15070	2.0
93.07034	23.6
95.04959	22.8
95.08620	10.0
97.06547	3.9
97.10159	11.5
98.20777	3.6
103.05469	3.9
105.07021	15.1
107.04951	100.0
107.08576	11.5
108.05274	3.9
109.06520	5.6
109.10166	7.0
111.04440	14.6
111.08062	7.3
117.06999	9.9
119.08565	15.6
121.06487	13.5
121.10143	8.4
123.08102	10.2
125.09631	9.4
129.06990	3.7
131.08575	10.5
133.06509	3.2
133.10143	3.5
135.08037	5.8
135.11665	6.0
137.09587	5.1
139.07527	9.5
143.08551	5.2
145.10159	11.3
147.08046	13.2
149.09598	30.7
153.09090	3.3
153.12723	4.5
157.10121	3.6
159.11800	2.7
161.09669	4.0
163.11145	9.0
165.09106	4.9
167.08568	2.4
171.11693	2.5
173.09537	4.1
181.12251	7.2
185.09671	2.9
189.11237	9.9
191.09079	2.1
191.10707	7.2
199.11273	2.4
204.56482	2.0
207.77344	2.2
223.13287	10.4
227.12817	8.3
227.17822	3.4
245.19044	3.2
249.14815	3.5
250.42703	2.2
255.17316	2.1
271.77112	2.9
273.18448	25.5
291.19528	83.9
309.20584	6.7
327.15695	18.5
449.83716	2.4
493.25336	2.1
631.32269	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	629.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41990	1.2
67.05495	11.3
69.07060	1.3
69.50796	1.2
79.05487	3.8
81.03400	3.3
81.07043	4.8
83.08596	2.2
85.02898	2.8
91.05481	3.8
93.07040	4.1
94.06544	11.1
94.57776	1.2
95.04983	1.5
95.08610	4.4
97.02867	2.1
105.07013	4.3
106.06544	4.6
107.07327	12.9
108.08104	4.8
109.10148	2.7
119.08549	1.4
120.04475	2.3
121.10140	1.8
122.06020	15.8
122.09660	19.6
134.05971	3.6
135.06784	3.7
136.07571	8.8
137.05963	2.1
137.96744	1.5
138.09071	2.7
142.17358	1.4
144.08073	1.5
145.10065	1.8
146.05989	1.6
148.07564	2.3
149.13223	1.6
150.09131	86.3
152.07034	2.9
153.01839	2.5
160.03947	4.4
163.11035	1.4
164.07063	7.7
166.08598	5.6
167.07092	2.1
172.03922	2.5
174.72827	1.3
199.08740	2.9
204.06595	2.6
210.11530	1.4
211.08615	3.4
211.12283	2.7
213.10258	3.8
221.10783	3.4
222.11459	3.5
223.08676	10.9
223.12251	3.1
225.10242	19.1
225.13823	2.2
226.11034	6.3
227.11856	2.4
235.08696	4.1
235.12305	3.9
236.09433	3.6
236.13057	2.8
237.10199	13.1
237.13869	5.7
238.11011	9.0
239.08154	7.5
239.11758	15.0
240.12596	3.7
241.09622	2.3
241.13420	1.8
248.09534	6.2
249.10201	19.6
250.10919	12.8
251.08206	11.2
251.11778	34.1
252.08896	3.0
252.12547	6.8
253.09802	3.5
253.13361	14.6
254.10515	8.6
255.11279	1.6
255.15102	1.9
262.11057	2.3
263.11829	22.5
264.08987	2.5
264.12564	18.0
265.09747	14.7
265.13354	39.7
266.10562	4.2
266.14258	4.0
267.11215	7.2
267.14862	3.2
268.11938	1.6
271.10718	1.4
275.11844	2.3
276.10101	1.5
277.09680	5.8
277.13165	1.3
278.10550	5.1
279.11224	16.6
280.12012	2.7
281.12872	11.5
282.13510	3.6
283.10788	9.5
283.14362	6.6
284.11523	1.8
285.12329	8.6
291.11212	7.4
292.11902	1.6
293.12793	15.9
294.13593	8.1
295.10733	10.2
295.14001	2.6
296.11536	8.4
297.12357	6.7
299.13840	8.6
304.51486	1.4
305.09216	2.1
309.12320	78.4
310.12991	7.8
311.13885	41.5
319.10791	7.2
320.11401	3.1
321.12323	13.2
324.11090	3.5
325.11981	3.3
326.12723	2.3
327.13361	77.5
337.11758	27.2
337.15756	1.6
338.12552	13.2
339.13391	28.1
341.15012	2.3
344.13913	2.1
357.14459	9.1
359.15912	4.9
369.14429	70.5
370.15012	4.4
371.15988	55.4
388.20389	1.8
404.19699	6.5
414.18158	2.9
416.19632	15.7
430.17352	6.5
432.19128	40.2
432.24799	2.1
442.17545	5.6
448.18616	20.4
449.19312	1.4
458.20703	4.0
460.18671	100.0
461.18915	3.0
476.21793	42.8
478.19626	2.4
480.21152	13.4
492.21295	56.8
493.21481	3.1
579.25580	1.6
597.27258	11.0
611.28223	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39045	1.8
57.47385	1.6
58.94566	1.8
58.94896	1.7
67.05494	9.6
68.11689	2.3
69.03447	2.6
69.07059	2.9
71.58167	3.9
72.43761	1.9
72.45835	1.6
77.32828	1.7
81.03417	2.5
81.07043	5.3
81.89156	1.9
81.99680	1.9
82.22396	2.1
85.02918	3.8
85.39948	1.7
91.05501	4.0
93.07040	4.0
94.06561	5.7
95.04939	2.7
95.08596	4.9
97.02900	3.5
105.07019	3.4
106.06544	2.4
107.07315	9.5
107.08583	3.5
107.21198	1.8
108.08098	3.8
109.10134	2.9
114.36636	1.7
117.06969	2.0
119.08561	3.3
121.10049	2.5
122.06048	13.8
122.09649	11.8
134.06067	2.5
136.07600	7.5
145.10110	2.9
147.01871	2.0
150.09132	57.3
150.10341	2.9
151.07578	2.2
160.03911	4.8
164.07011	9.2
166.08740	4.5
167.07059	2.6
188.94756	2.1
213.10136	2.5
222.11494	2.4
223.08711	7.4
225.10229	19.7
226.10931	4.3
226.41368	2.1
227.11662	3.4
235.08411	2.5
235.12186	2.1
236.09468	3.7
237.10149	7.4
237.13936	2.3
238.11003	7.0
239.08138	6.4
239.11749	14.0
240.12633	2.9
243.11290	2.4
248.09409	4.9
249.10336	6.0
250.10991	9.4
251.08037	5.8
251.11790	27.8
252.12585	7.4
253.09714	4.8
253.13332	4.7
254.10568	4.5
263.11829	17.4
264.12451	5.7
265.09708	6.1
265.13354	28.9
266.10562	2.8
266.14053	4.7
267.11163	5.2
278.10660	4.7
279.11264	9.3
281.12766	10.6
283.10864	10.4
283.13873	2.0
285.12277	7.5
291.11185	6.0
293.12720	10.1
295.10910	2.2
296.11597	7.4
297.12253	7.0
298.13028	3.6
299.13895	7.3
300.38248	2.8
309.12277	39.7
309.28598	2.2
310.12967	4.3
311.13879	40.0
311.17255	3.4
326.12708	2.3
327.13370	32.5
337.11755	9.9
339.13449	6.7
341.15005	6.2
355.13354	2.2
359.15958	11.8
369.14420	95.8
370.15027	8.7
371.16000	73.6
372.16440	4.3
416.19901	3.8
432.19299	15.1
433.19836	2.5
448.18384	5.5
460.18555	15.6
476.21988	11.4
480.21393	14.7
492.21252	100.0
493.21594	3.0
508.24088	2.4
553.55316	2.4
597.26630	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	629.224
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
67.05415	0.9
69.32478	2.8
69.32912	4.8
78.13924	0.7
78.48909	0.7
79.05439	1.0
81.06987	1.0
109.10107	0.7
146.33662	0.8
181.25325	0.7
396.12439	1.7
397.13138	1.9
399.14639	1.1
410.13458	3.7
411.14594	7.7
412.15280	3.8
413.15936	5.1
414.17050	0.9
423.14484	2.1
424.10629	1.2
424.15280	2.8
425.16257	17.1
426.16891	8.1
427.17523	2.7
428.18408	3.5
438.12634	4.8
439.13718	21.6
440.19144	6.7
441.19315	34.9
442.19446	2.2
452.14667	5.1
453.15408	23.7
453.21069	1.2
454.15820	4.8
456.17902	1.6
457.14371	0.9
467.17230	25.8
468.17886	19.8
468.35925	0.7
469.18771	10.7
470.19174	0.8
471.16376	2.1
472.16998	1.4
475.15204	0.8
480.17419	0.9
481.14609	9.8
482.15717	2.6
484.20996	2.9
485.18369	2.3
486.19070	0.9
495.16541	2.5
496.17068	13.9
497.17935	1.7
498.18915	1.9
500.20490	4.7
508.19690	1.2
509.18283	1.3
510.18961	1.0
512.20380	2.6
513.20978	3.8
514.22290	0.9
522.18036	1.0
523.19556	2.5
526.18512	1.4
528.19495	1.2
531.22809	1.1
539.19354	1.0
541.20874	51.0
542.21259	2.2
553.20355	1.0
569.20294	100.0
570.20502	5.0
572.19043	0.9
573.23590	3.2
587.21033	1.4
597.19781	25.0
598.19971	1.0
600.21667	1.9
601.23071	11.6
615.21216	1.4
629.22302	60.9
630.22491	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10876	0.7
57.03438	1.1
57.77826	0.8
58.65513	1.0
61.02919	1.7
69.03408	2.6
70.72935	3.3
71.04972	0.9
74.58693	0.8
81.03401	1.9
85.02898	12.3
88.30532	0.9
94.46132	0.9
97.02879	3.9
100.72994	0.9
102.87729	0.8
109.02875	2.4
111.00808	1.1
127.03902	2.6
137.02328	3.5
145.04921	2.8
153.01811	4.3
165.01770	2.2
194.59787	0.8
201.05463	2.4
215.03450	0.9
229.04910	3.9
247.05977	0.9
257.04453	3.1
285.03891	1.6
303.04977	100.0
315.05002	1.9
345.06097	2.8
465.10144	1.7
485.21954	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01624	2.4
51.02370	2.8
53.03940	4.8
55.01871	14.6
55.05510	32.5
57.03428	8.8
57.07048	4.9
59.05003	2.0
64.54883	1.9
65.03932	4.4
67.05502	79.2
69.03430	2.8
69.07065	28.8
70.45597	2.2
71.04981	4.8
79.05490	71.8
81.03418	4.2
81.07053	100.0
83.04462	1.9
83.04977	5.5
83.08618	14.8
85.06527	4.5
91.04905	3.0
91.05479	60.0
93.07039	68.7
95.04958	18.3
95.08603	55.7
97.06526	15.9
97.10176	6.3
99.08070	2.3
105.07022	48.1
107.04965	13.6
107.08587	43.5
109.06510	10.8
109.10149	26.5
111.08107	4.2
115.05483	2.4
117.07012	16.9
119.08577	37.8
121.06527	3.9
121.10130	28.4
123.08053	6.1
123.11701	9.3
125.09608	6.8
129.07007	8.3
131.08565	23.9
133.06514	2.9
133.10138	27.1
135.08058	5.5
135.11679	16.8
137.09636	6.0
137.13177	2.4
143.08545	8.0
145.10106	22.5
147.08043	2.8
147.11681	22.9
149.09631	15.4
149.13226	6.8
151.11235	4.0
153.75275	1.8
155.08549	4.2
157.10086	11.0
159.11676	20.1
161.13255	6.6
163.11131	5.1
163.14790	3.6
165.12773	3.6
167.08435	3.1
169.10114	5.5
171.11659	8.2
173.11884	2.2
173.13191	9.9
174.31091	2.0
175.14864	4.3
177.12785	2.2
178.44437	1.9
179.14339	3.7
183.11713	5.1
185.13220	6.7
187.13257	2.8
187.14809	5.2
189.11206	5.1
193.12376	2.3
195.11757	2.5
197.13332	3.2
199.14996	2.8
201.12767	2.6
208.07703	2.4
211.14726	2.5
219.14194	2.2
227.12726	5.7
229.19588	4.0
239.17914	5.3
257.18973	8.9
259.20511	5.7
261.22211	5.9
275.20026	39.9
277.21573	2.9
284.04279	2.1
293.21069	4.5
300.43256	2.5
335.25833	20.9
349.23618	17.5
423.32526	2.5
529.38660	4.2
535.41492	3.4
553.42773	3.4
567.24414	2.5
609.45026	29.2
627.46527	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	627.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01857	0.4
57.03423	0.4
61.02911	1.2
61.43562	0.3
68.99774	0.6
69.03417	2.1
69.21507	0.3
71.05013	0.3
71.13348	0.5
73.02888	0.4
81.03405	1.2
85.02431	0.5
85.02906	6.7
87.04465	0.3
89.87702	0.3
91.03966	0.3
97.02877	2.0
99.04456	0.3
109.02876	1.2
111.00797	0.7
116.14035	0.2
118.30141	0.3
121.02879	0.9
123.30978	0.3
127.03904	1.4
135.30667	0.3
137.02327	2.9
145.04930	1.0
148.55176	0.3
149.02310	0.5
150.62988	0.3
153.01834	3.2
161.05995	0.4
163.03845	0.5
165.01811	2.0
173.06038	0.4
183.02890	0.7
198.11272	0.3
201.05481	1.6
205.05023	0.3
229.04948	3.7
247.06056	0.7
253.04271	0.3
257.04459	2.6
274.04684	0.8
285.03940	1.4
303.04987	100.0
304.05276	1.2
315.49628	0.3
328.56738	0.3
423.07660	0.3
465.10321	5.1
566.46759	0.4
591.23901	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1551
Annotation	Myricetin 3-robinobioside
Peak:m/z	Relative Intensity
53.03912	0.8
55.01863	0.7
55.05531	0.6
57.03434	1.4
61.02920	1.3
67.05518	0.6
68.99792	0.6
69.03422	2.5
69.45368	4.2
71.01344	0.5
71.04993	11.9
73.02888	0.6
75.04466	0.6
79.05492	0.6
81.03406	1.6
81.07052	0.7
85.02901	19.2
88.83202	0.5
95.04986	0.7
97.02892	2.5
98.20747	0.7
105.07069	0.7
109.02852	0.8
111.04427	0.7
127.03891	1.8
129.05489	3.9
137.02292	3.0
137.05957	1.5
145.04964	1.2
147.04398	0.7
147.06461	1.0
150.93326	0.5
153.01854	2.4
163.03914	1.1
167.06856	0.5
169.01328	2.5
171.03035	0.6
171.04402	0.6
181.01320	0.9
186.79883	0.6
199.03931	1.0
203.03398	0.6
217.04930	1.4
227.03534	0.6
229.05013	0.8
245.04469	3.1
273.03934	2.3
281.29065	0.5
301.03412	1.4
303.04974	10.7
319.04468	100.0
320.04691	1.3
465.10159	0.8
481.09943	0.7
627.23145	0.5
637.81799	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.134
Annotation	Quercetin 3-(6''-caffeylgalactoside)
Peak:m/z	Relative Intensity
58.19616	0.4
62.99920	0.4
66.30159	0.4
68.99783	0.6
69.03410	0.5
71.53381	0.9
79.05474	0.8
81.03423	0.6
89.03922	5.7
107.04922	2.0
107.68872	0.4
117.03378	8.1
121.02879	0.4
127.03915	0.4
135.04416	18.7
137.02321	1.9
145.02850	13.2
145.04004	0.6
149.02341	0.4
153.01845	2.1
163.03902	100.0
164.04201	1.3
165.01819	0.7
183.02902	0.5
201.05447	0.7
201.10233	0.4
229.04880	2.3
257.04446	1.8
274.04828	0.6
300.89423	0.5
303.04987	44.4
304.05435	0.5
307.08276	0.6
315.05023	0.8
317.73233	0.6
325.09204	4.0
345.06186	0.8
397.20047	0.5
405.05829	0.7
465.08014	0.7
599.89832	0.5
627.23535	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29345	0.7
52.46010	0.6
69.03421	6.5
71.19383	1.6
79.05507	1.6
81.03413	1.8
81.07021	1.5
85.00357	0.7
85.02894	2.1
86.51094	0.7
89.03914	7.0
93.06992	0.9
95.04982	1.4
97.02901	1.7
105.07008	1.1
107.04939	2.0
107.08596	0.9
109.02881	1.8
117.03371	7.7
121.02894	0.8
121.06468	0.8
122.02461	0.7
127.03919	3.6
131.04953	0.7
133.10124	0.8
135.04413	20.1
136.07561	0.8
137.02303	2.2
137.05980	2.3
142.20570	0.7
145.02843	12.6
145.06519	0.7
149.13217	0.9
151.03917	0.8
151.07487	0.7
153.01826	7.6
163.03899	100.0
164.04269	1.2
167.07089	1.4
175.03722	1.6
177.05408	1.9
181.04994	1.2
184.34505	0.7
229.04948	2.0
234.08568	1.0
257.04477	2.0
287.05505	1.9
303.04974	44.9
304.05359	1.1
307.08032	3.4
315.04977	1.2
325.09186	2.7
385.12573	1.1
397.13055	1.0
399.13766	1.2
405.05872	2.5
411.06641	0.7
437.08438	1.7
465.07956	0.9
627.23920	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	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67333	4.6
53.03946	6.3
55.01869	44.6
55.05510	41.9
57.03428	18.1
57.07076	5.4
62.07908	3.9
65.03922	8.6
65.31999	4.3
67.05505	81.9
68.05827	4.5
69.03422	8.0
69.07067	100.0
69.44762	37.1
71.04999	9.1
71.08643	4.8
74.96409	4.3
79.05064	7.3
79.05492	78.1
80.82127	4.1
81.03407	12.0
81.07055	84.4
83.04969	18.1
83.08617	13.6
91.05481	85.2
93.07048	79.0
95.01266	4.6
95.04965	18.2
95.08605	67.9
96.99110	4.1
97.06524	63.7
97.10181	10.7
98.20705	8.0
101.80347	3.6
103.05492	3.9
105.07031	97.4
107.04963	32.1
107.08592	35.5
109.06512	10.7
109.10138	23.6
109.63214	4.4
111.08105	7.1
112.75220	4.7
117.07028	40.3
119.08570	61.4
119.09351	5.6
121.06511	12.6
121.10155	28.0
121.10921	4.4
123.08067	8.5
123.11760	5.0
125.09618	9.0
128.06223	10.4
129.07022	31.7
131.08563	59.2
133.10132	47.7
135.08093	6.8
135.11679	13.7
137.09566	5.6
139.07568	6.2
141.06976	15.8
142.00612	4.7
142.01747	4.4
142.07816	8.0
143.08582	30.1
145.10117	55.7
146.83659	4.7
147.08018	6.3
147.11685	31.2
149.09590	15.7
152.11038	5.0
155.08485	22.0
155.95618	4.2
157.10141	30.4
159.11688	42.4
161.09584	8.9
161.13287	26.0
163.11108	6.1
163.14803	5.3
167.08627	10.5
169.10117	24.5
171.11679	33.5
173.13324	26.6
175.11176	5.0
175.14821	17.9
177.12759	5.8
179.08537	5.0
179.14305	6.8
179.51151	4.3
181.10150	13.6
182.10818	4.5
183.11711	17.0
185.13225	23.2
187.14845	9.3
193.10152	5.0
195.11699	14.4
197.13177	20.2
199.11223	5.4
199.14825	16.5
207.76746	4.3
209.13329	9.8
211.14674	9.0
213.16362	7.4
221.13390	4.6
223.14897	7.4
225.16457	6.4
229.19501	5.0
237.16267	8.9
241.19569	20.2
251.17752	7.0
257.19040	11.2
259.20581	21.2
268.46634	4.2
273.18555	14.5
275.20084	43.5
291.19537	6.8
299.23538	5.1
315.23166	7.0
320.92868	4.6
333.24283	18.1
349.23785	23.8
353.24463	6.3
419.33426	6.8
435.32578	11.3
437.34180	24.7
509.36438	4.4
511.37772	17.4
513.35785	6.1
515.38940	6.6
527.37384	8.4
529.38550	9.4
533.39716	10.1
547.18896	4.7
550.37903	4.7
551.41370	7.8
555.36652	4.8
556.37598	8.9
607.43689	61.7
625.44678	92.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.6
55.01875	36.8
55.05516	45.9
57.03435	14.3
57.07071	4.0
65.03941	5.3
67.05508	100.0
69.03419	5.7
69.06723	6.5
69.07072	83.7
69.29574	32.1
71.04997	8.7
79.05498	75.2
80.72427	3.2
81.03410	11.5
81.07057	98.2
83.04977	12.2
83.08627	19.8
85.06554	7.1
91.05482	79.7
91.06023	6.3
93.07045	68.5
94.07371	3.4
95.01321	4.5
95.04994	17.5
95.08607	58.7
97.06535	52.0
97.10168	6.8
98.20728	5.6
99.08089	4.8
105.07036	87.0
107.04955	15.7
107.08601	41.9
109.06515	11.1
109.10162	30.8
111.08038	5.2
117.07014	38.5
119.08590	60.5
121.06524	7.3
121.10160	31.4
123.08083	5.8
123.11740	6.9
125.09596	4.0
128.06259	5.0
129.06989	22.7
131.08574	54.3
133.06503	6.3
133.10144	42.2
135.08069	9.9
135.11746	17.8
137.09622	4.6
139.11182	3.1
141.07019	11.5
143.08583	34.4
145.06487	6.6
145.10121	50.5
147.08046	8.0
147.11681	27.9
149.09593	13.5
149.13269	9.8
154.07774	4.0
155.08574	22.8
157.10164	29.1
159.08096	4.8
159.11710	36.1
161.09651	6.6
161.13266	15.5
163.11211	7.8
167.08543	7.3
168.09311	4.6
169.10144	21.5
171.11700	30.6
173.09650	3.8
173.13228	19.8
175.11203	5.7
175.14839	11.7
179.08528	4.4
179.14188	4.1
180.09505	3.4
181.10101	16.3
182.10992	3.0
183.11664	22.1
185.13293	24.5
186.93697	3.0
187.11223	6.1
187.14793	7.1
193.10193	3.8
195.11734	13.5
197.13237	15.9
199.14838	14.9
207.11716	8.6
209.13246	15.4
211.11234	3.9
211.14827	9.3
213.16341	4.9
217.15883	3.8
221.13179	4.3
223.14868	9.0
225.16345	7.5
235.14771	3.9
237.16385	4.7
238.72214	3.8
239.18082	5.4
241.19504	15.1
249.16461	3.1
254.33430	3.1
257.18961	8.9
259.20569	21.2
271.20346	3.4
273.18521	12.1
275.20096	36.2
277.21863	3.4
293.21222	5.9
315.23004	5.5
323.23721	5.0
325.25342	3.8
333.24396	18.9
335.25980	3.4
347.22284	4.1
349.23792	21.7
409.30911	5.2
417.30945	4.3
419.32861	5.3
435.32657	9.1
437.34503	15.2
455.35516	3.9
501.35504	4.9
505.40652	4.5
511.37888	10.8
513.35657	11.0
515.38818	12.2
527.37146	11.9
529.38977	5.3
533.39832	13.2
551.41132	15.6
555.36938	6.1
597.45221	4.5
607.43610	67.1
608.44592	3.8
625.34473	6.0
625.44580	99.4
626.44525	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	625.446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01731	2.9
53.03942	8.0
55.01869	14.9
55.05514	48.8
57.03434	12.0
57.07069	4.6
64.44833	3.2
65.03934	3.6
67.05169	5.8
67.05504	64.3
69.03431	3.3
69.07062	34.1
69.46124	3.1
71.04994	5.9
71.57703	4.3
79.05059	5.7
79.05491	59.8
81.03415	10.1
81.07053	73.3
81.63538	3.4
83.04987	9.4
83.08617	18.4
85.06542	6.0
86.09706	7.7
91.05479	62.7
93.07040	55.6
95.04950	19.0
95.08599	47.2
95.61557	2.8
96.28549	2.8
97.06544	13.1
97.10178	9.5
97.68942	2.7
99.08103	4.9
105.07012	51.9
107.04956	10.5
107.08578	38.8
109.06518	9.3
109.10142	21.4
111.08047	5.0
115.05412	5.0
117.06994	27.3
119.08573	38.0
121.06519	7.4
121.10139	23.2
123.08068	8.3
123.11690	7.8
125.09652	5.2
128.06209	6.2
129.06985	18.8
131.08571	40.3
133.10132	31.0
135.08066	3.6
135.11729	13.1
137.09607	3.7
140.14410	4.3
141.06981	6.8
143.08527	20.4
144.09238	3.1
145.10110	35.3
145.90758	3.3
147.08057	7.4
147.11642	18.7
149.09639	9.5
149.13307	5.1
155.08572	13.7
157.10138	22.3
159.11667	21.2
161.09648	6.6
161.13272	11.6
163.11165	4.9
167.08607	5.0
169.10146	17.7
171.11696	20.9
173.09698	3.6
173.13283	12.6
175.11159	3.8
175.14853	4.3
179.14514	3.0
181.10205	8.1
183.11720	17.8
185.13261	14.6
187.11282	4.7
187.14900	7.7
193.10086	4.3
195.11769	12.1
197.09602	4.0
197.13335	12.4
199.11110	3.6
199.14888	10.6
201.12904	3.5
201.16428	6.2
207.11749	4.1
209.13263	6.7
210.30336	2.7
211.14879	6.6
213.16374	3.6
221.13261	3.7
223.14792	3.5
225.16406	6.3
235.14998	3.8
237.16435	4.1
239.17892	5.1
241.19582	6.4
257.19125	8.1
259.20599	9.0
261.22116	3.1
271.20566	3.6
273.18671	8.7
275.20084	10.9
289.21655	6.2
291.19589	3.3
311.23462	3.6
333.24265	4.3
349.24222	4.1
365.28351	5.0
383.29654	3.8
439.32272	3.9
513.35870	19.6
515.38751	5.6
527.37512	9.8
533.40161	14.0
551.40887	6.0
597.43378	4.7
607.43524	48.4
625.44568	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79692	4.3
53.03935	6.4
55.01868	8.9
55.05505	35.4
56.16456	4.7
57.03426	9.9
67.05179	6.3
67.05503	100.0
69.07050	20.9
70.02050	28.3
70.20383	4.7
71.49529	5.0
71.55920	4.5
77.03940	5.3
79.05486	83.0
81.03408	6.0
81.07056	88.3
83.04969	15.0
83.08595	18.7
86.73410	5.3
91.05476	65.9
93.07030	74.8
94.07333	6.2
95.04964	28.8
95.08591	47.1
96.13627	4.8
97.06483	9.5
97.10153	11.3
98.20885	7.3
105.07014	32.3
107.04948	14.0
107.08598	40.0
109.06506	22.4
109.10136	23.6
111.08070	9.2
117.07015	22.9
119.08562	44.2
121.06570	6.6
121.10133	24.9
123.11651	5.7
125.09598	11.0
128.06248	8.6
129.06996	11.7
131.08572	29.8
133.06470	6.1
133.10129	19.1
135.08029	11.9
135.11665	13.8
137.09656	7.2
143.08504	9.4
145.10149	26.5
147.08037	8.6
147.11659	13.1
149.09497	8.0
149.13266	9.4
159.11687	8.3
161.09587	10.2
169.10031	7.2
171.11661	8.4
173.13229	8.5
175.11110	7.6
183.52554	5.0
189.10895	5.8
201.12874	5.6
223.13290	9.6
245.18814	8.8
263.19885	7.3
273.18518	39.3
291.19501	85.5
335.25677	12.3
347.22263	12.7
421.24161	6.0
553.87482	6.6
585.70959	6.2
607.43091	16.1
625.29755	12.6
625.44696	97.9
626.44678	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	625.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98824	9.7
54.87873	9.9
55.05497	40.9
57.03433	12.5
65.03932	13.5
67.05499	83.5
69.07056	24.7
69.76146	65.8
79.05491	68.2
81.03400	28.4
81.07050	75.8
81.69991	8.8
83.04967	15.9
83.08615	19.2
85.02951	11.8
91.05478	57.4
93.07029	57.2
95.04942	18.2
95.08610	42.8
96.06667	10.1
98.20837	16.7
105.07050	48.7
107.04919	13.5
107.08591	28.6
109.10148	18.3
117.07020	28.0
119.08594	31.8
121.10172	12.4
131.08601	29.7
133.10132	27.2
135.11714	17.0
145.10097	26.6
155.08556	12.4
157.10153	18.3
159.11688	17.7
171.11728	10.6
223.09190	10.7
257.18924	10.7
300.95160	11.8
353.24054	10.5
368.19852	10.0
371.25815	11.9
445.29422	100.0
463.30426	43.1
527.37183	29.2
625.34521	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	625.446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46100	3.0
53.03926	5.0
55.01865	10.6
55.05515	23.4
55.61927	2.6
57.03434	24.9
57.20093	2.7
58.81362	2.4
65.03931	5.1
67.05506	76.4
69.03422	4.6
69.07063	14.4
69.25743	2.5
70.84308	8.0
79.05492	66.5
81.03407	5.0
81.07059	61.4
83.04984	4.1
83.08609	7.9
83.37894	3.0
85.06551	14.3
89.28684	2.7
91.05486	46.8
93.07038	59.9
95.04967	57.0
95.08617	33.6
97.06560	6.5
97.10188	8.2
100.75727	2.9
105.07030	34.4
107.04947	9.4
107.08592	35.0
108.08908	4.0
109.06519	62.0
109.10139	11.9
113.06003	45.1
117.07009	27.7
119.08585	28.9
121.06514	3.7
121.10144	17.5
123.08096	6.3
125.09634	3.6
129.07037	8.8
131.08568	27.3
133.10144	14.4
135.08044	42.8
135.11679	12.5
141.07007	3.2
143.08554	6.9
145.06453	3.9
145.10101	20.8
147.08087	7.1
147.11710	5.7
149.09630	6.6
149.13292	3.8
157.10109	11.3
159.08044	4.0
159.11725	8.7
161.09642	10.1
161.13210	6.3
163.11279	4.0
171.11705	4.4
173.13330	5.6
173.45576	3.4
175.11230	3.4
183.11665	4.3
185.09709	3.2
185.13284	3.3
189.11179	4.7
199.14786	3.8
201.12766	4.9
217.15854	17.8
227.18149	2.8
245.19186	4.0
255.17500	4.1
271.16971	3.6
273.18469	40.6
279.15720	2.9
290.18134	3.5
291.19547	100.0
308.68793	3.2
335.25806	10.8
347.22186	7.7
449.16116	3.2
567.39850	4.3
607.43304	7.4
625.44562	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1547
Annotation	Kaempferol 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
53.03942	0.3
55.10065	0.3
57.03434	0.3
63.02374	0.5
69.03420	1.7
69.93983	1.4
70.10904	0.3
71.34878	0.3
76.43729	0.3
78.04720	0.7
81.03413	3.3
85.02901	0.9
89.03403	0.6
89.03916	6.9
97.02888	0.3
98.43241	0.3
99.04474	0.6
103.05451	0.4
109.02859	1.0
111.00846	0.4
117.03374	22.1
121.02861	0.9
122.75661	0.3
127.03918	0.7
134.03607	1.6
135.04410	1.9
137.06000	0.4
145.02838	51.0
147.04347	0.4
149.05978	7.9
153.01826	1.2
163.03867	0.9
165.01752	0.6
177.05461	100.0
178.05792	0.9
186.05527	1.3
195.06433	0.7
213.05406	0.4
258.05243	0.4
287.05484	27.8
321.09659	5.8
339.10767	2.7
484.30975	0.4
534.71130	0.3
618.29840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3578
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
50.10310	6.3
53.03928	6.8
55.01867	14.8
55.05515	34.7
57.03432	15.4
67.05501	100.0
69.03422	14.5
69.07068	30.6
71.04967	11.1
71.58402	7.3
71.58793	8.5
79.05496	62.5
81.03391	27.1
81.07054	84.7
82.17793	5.2
83.04974	18.5
83.08604	24.0
85.02884	7.4
86.42307	6.1
91.05471	65.0
93.07035	62.6
95.04963	12.7
95.08578	39.3
97.06511	15.0
97.10143	15.6
104.28503	5.8
105.07037	59.3
107.04932	10.3
107.08569	36.8
109.06532	11.5
109.10141	26.9
111.08134	6.6
115.05441	10.5
117.06989	23.7
119.08566	34.0
121.06491	9.0
121.10109	17.7
123.08109	6.8
125.09619	11.6
127.03838	8.6
129.06976	25.6
131.08580	37.5
133.10167	32.2
135.11687	13.9
141.06944	8.0
143.08528	19.6
145.10107	39.5
147.11673	15.1
155.08572	17.2
157.10100	22.2
159.11694	17.1
161.09525	7.8
161.13245	11.3
167.08557	7.2
169.10083	23.5
171.11679	20.6
173.13254	18.8
181.10167	10.5
183.11690	12.7
185.13234	16.7
187.14777	9.9
195.11691	11.3
197.13182	7.1
213.16309	7.1
225.16240	9.1
234.59042	6.2
241.19595	8.6
275.20068	9.1
299.23859	8.2
301.25150	8.1
302.06583	6.6
326.69415	6.7
389.26620	7.3
445.29562	31.7
453.33621	12.5
463.30484	15.0
513.35944	11.7
527.37457	47.0
533.39673	8.3
607.43854	29.5
625.36780	8.9
625.44220	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	625.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95995	0.5
55.01867	0.7
63.02366	1.1
67.05499	0.9
68.99792	0.9
69.03421	1.6
69.07050	0.9
70.69960	2.3
71.60887	0.6
79.05472	1.8
81.03408	1.9
81.07043	1.8
83.08624	0.6
85.02908	1.0
89.03914	9.6
91.05461	1.5
93.07037	1.2
95.04967	0.7
95.08591	1.5
97.02882	0.6
98.98450	1.6
103.05449	0.7
105.03390	1.1
105.07018	0.9
107.04943	0.7
109.02843	0.8
111.00791	0.6
117.03381	26.4
119.04942	0.6
119.08567	0.9
121.02855	2.6
121.06533	0.7
123.11711	0.8
125.05975	0.8
127.03848	1.4
131.04912	0.7
132.76093	0.6
134.03625	2.7
135.04413	2.7
137.05968	1.8
145.02838	58.5
147.04391	1.2
149.05974	7.3
151.07532	0.7
153.01849	7.4
158.06088	0.7
161.05908	1.0
163.03937	0.8
165.01797	1.8
165.05460	0.7
167.07095	1.1
175.07426	0.7
177.05463	100.0
178.05862	0.7
181.04921	1.4
183.02858	1.0
185.05971	0.8
186.05475	1.3
194.38766	0.6
213.05420	1.5
231.06532	1.0
241.05064	0.7
258.05325	1.1
287.05487	97.4
288.05746	1.8
321.09573	1.2
339.10760	1.4
416.14490	0.9
468.03061	0.6
625.27863	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	623.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92755	3.3
51.02404	3.8
53.03952	8.2
53.55287	3.5
55.01868	11.3
55.05507	48.5
56.36337	4.2
57.03428	11.0
65.57680	3.6
65.62294	4.7
65.62640	3.8
67.05506	75.4
69.03393	5.5
69.07058	22.2
71.04996	3.9
71.08637	4.1
71.58383	5.4
79.05490	74.6
81.03415	15.7
81.07059	63.3
83.04979	100.0
83.08633	10.2
85.06576	5.4
89.58277	3.4
91.05474	63.2
93.07043	75.1
95.04963	24.0
95.08602	50.9
97.06507	8.7
97.10165	14.5
105.07006	41.2
107.04958	11.0
107.08593	27.4
108.75562	4.1
109.06541	6.3
109.10147	21.4
112.11315	3.8
115.05438	5.2
117.06993	28.0
119.08582	49.7
121.06497	7.3
121.10159	19.7
123.08064	4.6
125.09641	8.1
129.06979	16.0
131.08540	28.3
133.10094	19.1
135.08067	16.2
135.11697	10.0
137.09656	6.7
143.08572	12.1
145.06487	12.4
145.10155	22.6
147.08063	9.8
147.11664	18.7
149.09622	6.3
155.08571	7.9
157.10149	15.4
159.08034	21.8
159.11687	12.5
161.09653	9.5
161.13257	5.1
163.11188	13.3
169.10155	15.3
171.08107	4.2
171.11589	7.1
173.09625	12.5
173.13240	6.2
175.11264	6.2
181.10110	8.8
183.11662	12.0
185.13199	6.1
189.11186	5.4
193.12228	12.4
195.11705	6.0
197.13326	5.9
199.14713	4.8
207.11783	4.7
211.11153	4.7
225.12820	6.1
243.17468	6.8
253.15895	5.8
261.18536	10.0
268.32068	4.3
271.16833	21.7
273.18533	4.8
275.20047	5.8
289.17972	73.7
304.36517	3.8
329.80957	4.0
345.20575	9.6
531.38782	6.0
557.01953	4.1
585.19843	4.2
605.42487	5.3
623.27905	8.4
623.43195	92.5
624.43567	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	623.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	3.7
53.03944	13.2
54.97248	2.7
55.01883	18.5
55.05514	57.5
56.57505	2.8
57.03426	11.7
63.06853	2.9
65.03927	7.6
67.05505	95.3
69.03429	9.4
69.07068	41.5
71.04974	5.9
71.58318	6.5
79.05492	83.5
81.03416	87.7
81.07053	80.3
83.04979	11.0
83.08624	24.3
91.05481	75.4
92.05790	3.4
93.07042	65.4
95.01318	3.8
95.04968	31.6
95.08603	54.2
97.06520	11.0
97.10151	24.7
100.26180	2.9
101.09622	3.3
103.05439	7.5
105.07030	67.5
107.04954	15.3
107.08582	47.0
109.06518	9.5
109.10153	23.6
111.08040	5.3
115.05453	18.0
117.07021	42.1
119.08585	41.0
121.06508	7.3
121.10143	19.1
123.08042	6.0
123.11687	9.4
125.09649	22.7
128.06221	9.8
129.06993	36.4
130.07811	5.3
131.04912	7.8
131.08556	33.2
133.06500	11.2
133.10092	23.1
135.08035	10.9
135.11697	10.5
137.09547	3.8
141.07010	14.4
142.07800	9.9
143.08533	19.8
145.06500	13.4
145.10132	26.9
147.04416	5.9
147.08002	6.6
147.11700	12.8
149.09665	7.2
153.07019	6.2
154.07771	6.1
155.08531	19.1
156.09341	3.6
157.06470	4.2
157.10123	17.1
159.04495	4.9
159.08034	9.7
159.11667	20.7
160.05194	11.7
161.04848	3.7
161.06010	22.4
161.09665	12.9
161.13234	10.3
163.11151	6.5
165.06967	4.7
167.08571	14.5
169.10135	23.7
171.08031	4.8
171.11647	17.1
173.05995	14.0
173.13257	10.0
179.08545	7.6
180.09348	5.3
181.10143	18.3
182.10950	5.0
183.11674	16.2
185.13271	11.8
187.07552	9.9
187.11195	4.1
187.14796	5.0
189.09041	4.0
189.11224	16.3
193.10201	7.0
193.12221	4.7
195.11739	15.8
197.13272	14.8
199.14815	11.2
203.10753	3.4
205.90602	4.4
207.11688	6.7
209.13228	9.0
211.11157	3.9
211.14815	9.4
213.16454	4.5
219.11632	6.4
221.13249	3.9
223.14940	7.9
225.16370	6.5
227.12794	9.3
237.16348	6.7
239.17900	10.2
253.15637	4.2
257.19150	4.3
259.20599	9.2
271.13284	12.8
271.16882	10.9
273.14743	7.9
275.20099	6.1
289.14072	7.1
291.19604	13.3
297.22052	3.6
333.24127	5.1
335.25827	8.7
345.17108	6.2
377.17798	3.3
379.30014	7.2
426.88394	4.6
427.18561	4.4
429.20865	4.7
451.21664	3.3
471.21466	6.2
489.22290	4.5
490.19910	7.3
499.21527	7.9
517.22412	6.2
525.36029	5.0
527.20667	4.8
529.22430	9.4
531.38129	4.5
545.21771	33.6
546.21893	6.3
549.38898	5.8
554.35858	4.2
555.36157	4.7
573.21149	8.1
605.23907	60.9
605.41492	17.2
606.23547	10.0
606.41895	5.1
623.25562	45.2
623.43494	100.0
624.25183	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	623.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.8
55.01880	8.0
55.05269	1.7
55.05515	24.7
55.79831	1.5
57.03421	6.3
57.07061	2.0
65.03932	4.2
67.05506	54.1
67.68731	1.5
68.83031	1.4
69.03429	3.3
69.07068	17.1
70.03097	3.1
70.03520	6.0
70.08031	1.4
71.04993	3.0
72.18437	1.4
77.03954	1.6
79.05067	3.2
79.05497	51.7
81.03420	100.0
81.07059	43.3
83.04993	4.3
83.08605	8.9
85.06532	2.9
88.89703	1.6
91.05481	45.1
91.69237	1.3
93.07042	36.0
95.01337	3.4
95.04976	26.8
95.08611	33.1
97.06552	4.3
97.10161	8.1
98.20811	2.8
103.05447	4.2
104.06175	1.7
105.04504	1.9
105.07030	36.5
107.04935	13.2
107.08604	20.6
109.06534	4.7
109.10146	12.4
111.04485	2.0
111.08080	3.4
115.05444	14.7
116.06255	2.0
117.07026	28.5
119.04947	4.0
119.08577	21.7
121.06537	7.6
121.10152	13.0
123.08058	5.7
123.11728	3.1
125.09619	6.9
128.06216	5.2
129.07001	13.7
130.07751	2.3
131.04956	8.6
131.08575	15.3
133.06506	8.8
133.10141	15.8
135.08041	7.0
135.11674	7.0
137.06003	3.1
137.09599	1.8
141.06966	4.8
142.07832	2.0
143.08586	13.1
145.06482	16.8
145.10121	15.5
147.04445	8.4
147.08057	4.9
147.11688	8.1
149.09604	3.9
149.13242	3.7
153.09088	1.9
155.08563	8.2
157.06512	3.3
157.10139	9.8
159.04439	3.4
159.08086	5.3
159.11702	9.5
160.05214	16.0
161.05994	25.1
161.09665	9.6
161.13231	5.8
163.11160	4.6
165.07057	2.0
167.08565	4.6
169.10144	6.8
171.08025	4.1
171.11720	6.9
173.05980	23.5
173.09634	3.9
173.13246	4.4
175.11169	3.2
175.14851	1.7
177.12675	2.7
179.08586	1.7
181.10118	4.3
183.08096	2.3
183.11606	3.0
185.09616	3.7
185.13304	3.4
186.06784	1.7
187.07532	6.3
189.09155	2.4
189.11214	6.1
193.10240	2.1
193.12213	1.8
195.11665	2.4
197.09459	2.6
197.13274	4.6
199.14859	2.1
203.10661	3.9
205.12173	3.7
207.11761	2.1
209.13074	2.3
225.16397	2.0
227.12672	4.1
231.11415	1.7
243.13771	5.6
243.17532	2.1
253.07283	1.7
259.20612	4.9
261.22205	3.0
271.13287	15.7
271.16928	23.7
273.14865	8.3
275.20120	5.4
289.14377	7.7
289.17969	5.0
333.24307	6.1
335.25800	19.0
339.23315	2.1
345.16971	6.6
345.20724	4.3
347.18542	3.4
365.24725	1.7
379.25943	2.1
547.26563	2.4
562.53448	1.8
605.40765	7.0
623.26239	7.1
623.39520	32.8
624.39355	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	12.6
55.01856	19.5
55.05516	38.2
57.03434	13.4
60.70314	6.6
61.44761	6.3
67.05506	77.4
67.74889	5.9
68.90509	6.6
69.03425	19.4
69.07061	37.0
71.04990	10.7
71.58317	12.9
71.58698	8.4
79.05495	60.3
81.03418	100.0
81.07053	84.1
83.04956	35.1
83.08611	28.1
85.02914	28.3
91.05468	69.2
93.07036	63.8
95.04954	33.3
95.08601	35.1
97.02882	16.5
97.06541	17.1
97.10186	12.3
105.07048	48.3
105.79053	8.4
107.04946	17.2
107.08589	34.2
109.02893	21.6
109.06496	13.8
109.10154	20.4
111.04427	11.7
111.08089	14.2
117.07045	23.8
117.67822	7.6
119.08602	44.7
121.10146	23.8
123.08057	10.8
127.03929	11.8
129.06992	19.7
131.08557	29.6
133.10149	23.9
143.08636	8.5
145.10130	11.3
147.08119	10.7
147.11743	21.4
149.13268	15.7
155.08440	7.4
156.38066	7.8
157.10124	11.3
159.11693	12.8
169.10126	8.0
175.11148	14.3
176.87953	7.7
183.06232	7.0
183.11691	8.8
193.12239	39.6
199.14868	8.4
211.13139	36.5
267.15921	11.8
275.20074	17.0
299.23807	7.1
301.14761	7.0
375.21738	12.0
387.25632	7.9
398.72284	7.9
443.28000	7.5
461.28891	27.9
479.29944	10.3
623.33954	63.2
623.42902	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	623.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02410	2.5
53.03923	11.9
54.04714	2.2
55.01860	8.2
55.05509	32.6
57.03439	14.1
60.66110	2.5
65.03945	4.8
67.05502	63.5
69.03426	21.3
69.07071	18.7
71.04994	9.9
73.02898	2.7
79.05489	54.8
81.03416	100.0
81.07053	77.1
83.04976	23.1
83.08614	24.6
84.08573	2.2
85.02897	24.6
85.06536	3.8
91.05476	48.9
93.07037	49.9
95.04964	30.1
95.08591	25.0
97.02897	15.2
97.06529	12.5
97.10166	7.8
99.04445	4.7
99.08095	3.5
105.07027	35.7
107.04945	10.9
107.08588	28.0
109.02876	20.9
109.06514	9.5
109.10138	6.4
111.04445	15.7
111.08081	9.5
111.49558	2.3
115.05513	3.0
117.07031	10.0
119.08578	25.8
121.06501	5.3
121.10128	18.9
123.04407	5.9
123.08070	2.5
123.11738	5.7
125.09664	3.9
127.03924	11.7
129.07019	11.9
131.04926	3.3
131.08571	18.8
133.06490	4.2
133.10141	13.5
135.08069	3.5
135.11691	7.1
141.06932	3.0
142.07820	4.2
143.08612	4.2
145.06487	3.6
145.10167	5.4
147.08080	5.1
147.11685	18.9
149.05968	2.9
149.09637	3.7
149.13252	15.0
157.10152	14.1
159.08080	3.6
159.11720	9.7
163.11255	4.6
165.12787	7.1
171.11705	3.2
173.04384	2.1
173.13246	2.2
175.11224	8.2
177.12779	8.3
181.12276	3.3
183.11642	2.5
189.11198	2.9
191.10643	2.3
191.64308	2.4
193.12219	32.3
195.13789	7.5
211.13287	51.4
213.14917	3.8
221.13080	2.5
227.12787	6.0
235.13324	2.7
235.16978	3.1
267.15912	13.2
269.17548	8.9
273.14911	4.5
285.17023	4.8
301.14465	3.0
309.16812	2.4
313.57675	2.2
337.16528	3.5
339.18024	7.4
351.22888	2.9
355.17432	5.5
369.24496	4.2
387.25232	2.9
395.20670	4.9
396.92230	2.8
411.19983	2.8
443.27921	6.4
461.28885	18.4
479.29965	15.4
486.37387	2.3
521.94281	2.6
569.30872	3.2
587.31793	4.0
605.33014	5.4
623.34222	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80330	1.9
53.03943	10.0
55.01873	7.1
55.05310	2.4
55.05513	27.3
55.64227	2.1
57.03444	11.7
65.03936	4.0
67.05502	65.6
69.03425	19.4
69.07066	20.7
69.25732	2.5
69.26067	3.0
69.26619	4.0
69.27018	23.4
71.04987	12.1
77.21116	2.2
79.05488	58.4
81.03417	100.0
81.07055	82.7
83.04971	24.3
83.08616	28.9
85.02901	20.4
85.06546	7.2
91.05473	41.7
93.07040	50.4
95.04973	27.5
95.08611	21.7
97.02897	21.3
97.06544	11.7
97.10158	3.8
99.04459	6.1
99.08065	2.8
104.54485	2.1
105.07014	22.6
107.04948	8.3
107.08592	33.1
109.02873	21.5
109.06535	8.1
109.10162	8.1
111.04442	17.7
111.08089	13.9
117.07006	11.4
119.08578	17.9
121.06491	5.3
121.10142	21.4
123.04471	2.3
123.11685	3.1
125.09650	6.0
127.03954	13.2
129.06975	12.1
131.08557	17.0
133.06493	2.6
133.10129	10.9
133.84520	2.4
135.08018	2.7
135.11685	10.1
137.06052	2.4
143.08578	3.7
145.10146	3.5
147.11699	16.5
149.09622	5.4
149.13266	24.6
153.12796	4.0
155.08533	2.5
157.10115	11.3
159.11685	12.2
163.11188	6.4
165.12796	6.6
173.09645	2.8
175.11211	8.7
177.12761	5.6
181.12256	5.4
191.10709	5.8
193.12238	38.4
195.13797	11.6
211.13292	61.6
227.12804	9.3
250.32875	2.5
267.15933	8.1
269.17508	11.7
269.20074	2.3
283.15436	2.9
285.17224	2.7
337.16431	3.6
339.17947	5.6
355.17621	13.0
395.20532	2.9
411.20343	5.7
443.27533	3.7
461.29025	16.3
479.30264	14.1
605.33386	4.7
623.34277	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	14.7
55.01865	13.9
55.05515	33.2
57.03437	10.0
61.02922	28.7
65.03944	5.1
67.05500	72.8
69.03425	25.0
69.07061	28.4
70.83333	7.9
71.04995	9.7
73.02920	5.1
74.75816	3.0
75.00703	2.9
77.13887	4.6
79.05490	69.8
81.03419	74.2
81.07053	100.0
83.04980	24.9
83.08617	26.1
85.02899	35.3
85.06538	9.3
88.18147	3.5
91.03959	12.5
91.05476	74.8
91.06020	7.0
91.33292	2.9
93.07034	71.7
95.04969	33.6
95.08598	42.8
97.02888	27.8
97.06526	17.6
97.10160	7.6
99.04457	9.4
99.08108	4.5
100.17132	3.8
103.05492	3.2
105.07030	55.1
107.04948	14.7
107.08604	36.9
109.02888	14.4
109.06516	11.1
109.10137	23.9
111.04442	11.3
111.08081	14.5
115.05462	5.3
117.07010	29.8
119.08584	43.9
121.06473	16.2
121.10155	21.6
123.08087	11.1
123.11735	4.9
124.25331	3.1
125.05988	8.2
125.09631	4.7
125.43429	3.5
127.03920	12.5
128.06190	8.7
129.06996	43.6
131.08569	46.7
133.06572	7.4
133.10117	27.0
135.08118	6.1
135.11678	20.3
137.09654	6.5
141.06984	18.7
142.07779	6.9
143.08536	22.7
145.06490	11.9
145.10129	31.9
147.08057	9.8
147.11679	18.1
149.06052	4.2
149.09615	11.5
149.13254	15.8
151.11200	5.0
155.08560	24.0
157.10147	30.0
158.07277	3.4
159.08060	8.8
159.11688	21.1
161.09639	3.8
161.13235	4.8
163.11194	10.3
165.07056	3.7
165.12663	5.4
167.07153	4.7
167.08577	7.0
169.10141	13.1
171.11719	12.1
171.90733	3.6
173.09624	11.6
173.13290	6.4
175.11194	8.4
175.14767	4.1
177.12743	6.1
179.08492	4.8
180.09377	3.8
181.10046	7.1
181.12265	4.1
183.11778	7.3
185.13190	5.7
187.11198	12.6
187.14778	3.9
191.10706	8.4
193.12247	23.3
193.15887	5.9
195.11740	9.8
195.13821	9.1
197.13257	12.2
203.14444	4.7
205.12282	10.6
207.11749	5.6
209.13280	8.2
211.13231	35.0
211.15001	3.7
211.16888	11.7
213.12857	3.7
213.14777	4.1
215.10674	8.9
215.14351	5.3
221.13269	7.0
223.14914	3.9
225.12721	3.9
227.12767	4.0
233.11618	5.2
239.14288	7.1
241.15880	5.1
243.13887	4.5
251.12784	4.3
257.15396	7.6
262.70474	3.5
267.15897	5.2
269.17548	7.4
271.16623	4.6
305.22626	3.6
323.23691	5.9
333.22000	13.0
339.18091	6.0
341.24637	7.8
351.23151	46.2
355.17725	4.0
369.24197	34.4
387.25281	15.1
411.20331	3.7
425.26886	7.3
443.27936	75.7
461.28864	48.6
479.29831	7.2
605.33289	7.0
623.34100	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27691	2.1
51.02356	2.1
53.03946	12.5
55.01867	7.5
55.05512	33.4
57.03437	8.2
65.03937	3.7
67.05502	66.3
69.03429	25.8
69.07070	21.0
69.94019	9.0
71.04986	14.6
79.05493	47.9
81.02921	4.9
81.03417	100.0
81.06582	4.0
81.07059	78.1
83.04974	26.3
83.08619	24.6
85.02903	22.2
85.06532	4.8
91.05479	48.9
93.07043	59.4
95.04968	32.4
95.08607	30.2
95.64485	2.0
97.02894	18.1
97.06543	12.2
97.10175	6.1
99.04458	7.3
99.08102	3.7
105.07018	31.9
107.04971	8.6
107.08595	25.9
109.02886	15.8
109.06535	8.4
109.10141	14.6
111.04429	13.7
111.08095	8.4
115.05450	4.0
117.07021	14.7
119.08588	25.5
121.06504	7.6
121.10143	16.4
122.10785	2.0
123.04455	2.6
123.08090	6.5
123.11691	5.1
125.05994	2.2
125.09625	3.4
127.03936	11.9
128.06155	3.3
129.05473	2.7
129.06987	10.8
131.04973	1.8
131.08591	17.9
132.52475	2.1
132.91631	2.0
133.06506	6.5
133.10147	17.0
135.08038	3.9
135.11717	11.1
137.05966	3.6
137.09589	4.2
141.07005	2.3
143.08562	2.7
144.93419	2.2
145.04967	2.2
145.06458	5.0
145.10085	9.6
147.08041	4.9
147.11684	18.4
149.09634	5.6
149.13258	20.0
151.11208	2.6
155.08571	2.7
157.10062	12.1
159.11707	9.9
163.11232	6.0
165.12775	5.0
169.10155	2.6
171.08084	2.5
173.04465	3.1
173.09616	2.7
175.11177	10.8
177.12773	6.9
181.12256	4.2
187.11223	3.3
189.11189	4.1
191.10617	4.4
193.12231	34.8
195.13844	8.8
211.13274	51.3
213.14926	2.2
227.12808	4.2
229.12024	2.0
235.13350	3.9
253.19847	2.6
267.15970	7.1
269.17520	8.7
273.14764	3.8
275.16528	2.6
285.17197	4.2
301.14294	4.3
303.16153	3.1
337.16376	2.5
339.18118	8.9
342.99426	2.2
355.17734	4.5
369.24200	4.7
395.20828	5.0
411.20386	5.1
443.27621	3.8
461.28934	13.8
477.27789	2.4
479.30029	16.7
569.31055	2.4
605.32806	6.3
623.34100	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2863
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
55.05510	2.5
57.03444	2.2
65.25336	1.2
67.05497	7.7
76.37709	1.1
77.63680	1.1
78.60318	1.1
79.05507	6.3
81.07066	4.2
83.05004	3.0
86.59616	1.4
91.05468	5.7
93.07037	6.4
93.08064	1.4
95.08619	3.7
97.93567	1.3
105.07004	2.8
107.04981	4.6
107.08605	1.8
117.07013	2.7
119.08582	3.7
121.10181	2.5
131.08603	2.5
135.08043	2.5
135.11679	1.8
145.10213	1.3
156.92239	1.3
159.11746	1.3
206.86966	1.3
233.15469	1.8
261.18607	1.5
271.17099	1.5
289.17963	5.9
390.99973	1.2
404.19852	1.2
415.19168	1.8
419.22409	1.3
429.20758	6.2
430.21927	2.1
439.82391	1.3
443.22754	2.5
444.23260	4.1
447.21658	2.8
449.23279	1.8
459.21976	3.8
461.19659	1.4
466.59412	1.5
472.22501	3.3
473.23340	2.7
476.21603	2.5
477.22745	2.3
485.23529	4.9
486.23907	2.0
487.24799	2.6
503.24414	2.4
517.25842	3.8
519.24042	1.4
531.24194	3.8
535.26355	1.5
545.25470	46.5
546.26147	2.2
563.26080	14.7
605.27649	3.5
623.28540	100.0
623.43231	6.1
624.28992	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.7
67.05500	1.4
69.72246	4.9
79.05487	3.0
81.07065	1.6
83.08665	0.9
85.98164	0.7
91.05476	2.3
93.07042	1.9
94.06245	0.7
95.08615	1.5
105.07040	1.2
107.08632	1.5
108.40874	0.8
117.07033	1.1
119.08583	5.1
120.06306	0.7
121.10198	0.8
125.09622	1.2
145.10109	1.0
159.07999	1.6
189.11357	1.6
271.17072	1.6
281.06479	0.8
289.18127	1.0
307.10080	0.7
403.19360	1.1
405.20755	2.0
407.22180	0.7
417.16434	0.9
417.21332	1.3
419.22293	2.1
431.18402	2.1
433.20419	3.1
438.77090	0.8
443.18698	1.1
444.19412	1.0
445.20258	2.8
446.21152	1.6
447.21838	1.6
458.21146	3.2
459.21609	1.6
460.22870	1.9
518.23376	2.6
533.25732	3.2
545.25165	0.9
563.26563	2.8
605.27539	6.5
621.55145	0.8
623.28638	100.0
624.28723	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
53.06312	1.1
55.01875	9.5
55.05504	8.9
56.18847	1.1
57.03447	2.0
67.05505	20.2
69.07064	12.4
71.58451	0.9
79.05492	18.8
81.03408	16.3
81.07054	17.5
83.04984	4.0
83.08617	3.1
91.05476	23.2
93.07043	15.7
93.82085	1.1
95.01340	3.1
95.04972	8.0
95.08602	12.0
97.06513	15.0
97.10174	3.4
103.05459	1.9
105.07025	19.6
107.04931	6.6
107.08602	6.3
109.06519	2.3
109.10162	5.0
111.08125	1.4
115.05417	2.4
117.07024	6.3
119.08568	11.9
121.06461	1.4
121.10158	3.8
125.09660	1.9
129.07027	3.4
131.04947	1.3
131.08562	9.0
133.06441	1.6
133.10123	10.2
135.08047	2.6
135.11713	2.2
137.09637	1.9
141.07043	1.6
143.08577	3.0
145.06477	2.5
145.10095	7.3
147.04396	1.2
147.11668	5.4
149.09624	4.1
155.08556	1.9
157.10167	2.8
159.07985	1.3
159.11714	3.8
160.05225	2.6
161.05989	4.6
161.09645	1.1
161.13271	2.1
163.11214	3.1
165.09152	1.5
167.08565	1.4
169.10097	3.0
171.11703	2.2
173.06036	2.9
173.13300	2.5
175.11287	1.8
177.12738	1.4
178.20905	1.2
179.14297	5.1
185.13298	1.8
187.11249	1.6
188.78790	1.0
194.93256	1.2
195.11841	1.1
197.13292	1.6
229.19501	1.5
239.18028	1.5
247.20798	1.4
257.19116	3.0
268.22403	1.2
271.13300	2.9
273.14905	2.4
273.17938	1.3
275.20056	20.3
289.14313	1.6
374.15311	1.2
389.18164	1.5
403.19400	2.5
404.20013	1.3
405.20816	1.9
415.19711	1.5
417.16980	3.3
419.22418	5.6
431.18530	3.7
432.19168	1.5
433.20145	2.2
443.18817	3.7
444.19305	2.0
445.19971	7.2
446.21066	4.5
447.22375	5.6
449.23587	1.8
458.21100	1.4
459.21832	4.4
462.20551	2.2
463.21536	1.9
475.21255	1.9
476.22296	4.0
477.22882	6.0
489.22775	2.1
490.23520	1.5
503.24460	1.8
521.21790	1.6
533.25500	14.8
563.26447	13.9
593.27435	3.2
623.28632	100.0
623.44067	9.3
624.28687	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	623.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90819	2.6
63.26281	2.5
67.51484	2.3
69.56033	15.9
69.56449	6.1
70.52834	2.5
73.18141	2.4
73.18565	2.6
98.85799	2.2
121.75914	2.4
160.98822	2.7
165.05226	3.1
217.95255	2.5
263.92026	2.4
313.45972	2.4
377.17807	2.8
391.19406	4.3
392.19940	4.9
405.20731	5.0
406.21423	4.2
407.22430	17.3
413.17575	3.1
415.19211	5.7
421.23959	9.2
428.19971	3.6
429.20837	10.9
430.21887	2.9
443.22397	8.6
444.23080	5.1
444.32727	2.9
445.20267	3.3
447.18176	3.3
458.24683	6.9
459.21771	8.1
461.19382	4.0
472.22556	7.8
475.20816	5.4
476.22012	6.9
485.23633	14.2
489.23096	6.0
499.21625	3.5
503.24350	8.8
517.26202	7.5
529.25903	4.4
535.26807	6.6
545.25452	96.3
573.25012	20.4
605.27570	100.0
606.27448	3.2
623.28613	91.1
623.37585	3.5
624.29089	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	623.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
62.16174	5.9
71.19968	14.8
75.19855	6.9
79.18804	6.3
181.08958	7.1
242.50369	6.6
243.61212	6.3
476.21826	11.8
545.25183	17.4
563.26105	11.0
609.47705	7.8
623.28424	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
65.40404	2.7
82.31858	3.1
115.95040	2.8
170.99358	3.2
172.23505	2.6
406.21664	3.8
435.21771	4.4
437.37372	2.9
448.18167	4.4
449.23212	4.7
461.19708	3.5
463.21249	8.8
476.21988	5.3
477.22757	10.6
535.24792	3.7
563.26385	18.7
591.25818	4.5
594.24493	4.0
606.28790	3.2
623.28516	100.0
623.38696	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	623.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
68.67690	5.1
71.58673	5.7
99.97382	4.4
186.91327	5.7
368.66666	5.1
398.59366	5.9
455.34323	5.6
463.21136	9.5
476.21851	8.4
563.26477	22.4
564.26874	8.6
591.25970	9.7
621.38074	6.3
623.28522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65583	2.5
53.03933	10.2
55.01861	9.4
55.05507	21.7
57.03430	9.6
57.88338	2.9
59.04973	2.9
65.03932	4.3
67.05502	41.9
69.03410	11.3
69.07056	8.6
70.69856	6.1
71.01350	2.3
71.04983	6.7
79.05492	38.8
81.03415	100.0
81.07051	37.7
83.04974	17.4
83.08611	19.4
85.02909	24.6
85.06543	3.1
86.11637	2.3
91.05480	39.0
93.07043	28.3
95.04964	40.1
95.08614	14.6
97.02883	15.8
97.06502	7.5
97.10174	7.3
99.04462	5.0
99.08050	4.0
103.03954	3.0
103.05481	2.7
105.07027	22.0
107.04292	2.9
107.04927	15.1
107.08615	13.5
109.02891	18.7
109.06506	6.7
109.10146	6.9
111.04431	8.6
111.08089	8.5
117.07012	9.9
119.04922	4.1
119.08583	19.5
121.02842	2.4
121.06503	9.8
121.10146	12.9
123.04435	9.8
123.08086	7.4
123.11668	6.1
125.09560	5.7
127.03918	11.4
129.06993	12.3
131.04887	5.5
131.08537	18.9
133.06496	9.5
133.10123	10.9
135.04472	3.5
135.11597	5.3
137.05960	5.0
143.08568	5.4
145.06474	6.4
145.10120	11.0
147.04399	5.6
147.08055	6.7
147.11661	15.0
149.09563	4.7
153.01813	4.1
153.09164	2.9
155.08563	3.7
157.06464	2.7
157.10123	10.8
159.08046	3.5
159.11612	3.2
161.05969	7.5
161.09706	4.6
163.11163	8.2
165.12779	4.1
167.08548	3.2
171.11725	3.7
173.04527	5.2
173.09605	3.7
175.11189	15.2
181.12221	3.1
189.05489	4.3
189.11186	4.9
193.12228	34.2
205.12259	3.1
211.13269	32.0
213.12683	3.3
215.14156	3.1
224.51064	2.5
227.12747	6.6
235.13336	3.3
247.13348	3.1
255.13783	3.7
267.15848	9.9
273.14886	9.8
277.14157	5.1
283.13278	3.9
285.17047	6.8
289.14270	3.9
301.14392	15.3
303.05038	7.9
319.15378	7.6
337.16632	3.6
367.22284	4.0
375.18335	2.9
385.23697	7.6
403.25055	2.9
459.27243	13.2
477.28397	5.2
567.29285	3.9
585.30438	11.6
603.31219	10.0
621.32739	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47715	0.3
57.11441	0.3
70.79613	0.9
90.30521	0.3
132.08057	0.8
144.08115	0.6
146.28067	0.4
152.78447	0.3
170.09538	0.4
180.78490	0.4
195.09216	0.5
199.08685	0.4
207.09184	0.4
208.09734	0.4
209.10744	1.3
210.11368	0.4
220.10106	0.4
221.10742	0.9
223.12328	1.1
224.12845	0.4
225.10168	0.4
225.13901	1.0
234.11359	0.4
235.08699	0.7
235.12267	0.9
237.10268	0.8
237.13977	1.0
247.12299	0.6
249.10228	0.6
249.13907	0.5
251.08153	0.5
251.11867	0.7
262.10483	0.4
263.11838	0.5
301.12848	0.5
309.12579	0.5
324.15247	0.6
326.12677	0.4
328.14526	0.6
338.12827	0.8
340.14667	0.6
350.16757	0.5
352.14484	0.7
354.12418	0.7
356.14023	0.5
362.16330	0.4
363.16107	0.5
366.15939	0.6
368.13858	0.4
370.15884	0.5
373.14819	0.5
375.16272	0.9
376.17480	0.6
377.18008	0.5
387.16324	0.5
388.17822	0.4
389.17752	1.7
391.19116	1.3
400.16766	0.6
401.17819	0.5
402.14203	0.5
402.19083	0.9
403.14828	2.2
403.19507	1.3
404.15738	0.7
404.20175	1.2
405.21432	2.3
406.21561	0.5
415.15445	0.7
416.16284	0.8
417.16824	4.7
418.17435	2.9
419.17944	2.2
420.23407	0.9
429.17484	1.2
430.18115	1.3
431.18930	2.7
432.19427	3.1
433.20718	4.0
434.21042	0.9
443.18652	1.1
444.20456	0.5
445.15662	3.0
446.16516	3.4
447.18057	6.8
447.22470	3.8
448.18906	2.1
449.23474	1.3
455.74701	0.4
456.19165	0.5
459.17868	1.5
459.22812	0.8
460.18155	4.2
461.19482	8.6
462.20407	6.3
463.21921	0.9
473.19781	1.9
474.20413	2.2
475.21280	23.0
476.22046	11.4
477.22879	8.1
478.23599	0.7
487.21255	0.5
488.22314	0.8
489.23230	3.1
490.24228	0.8
491.21448	0.5
492.22250	0.4
501.18927	0.6
502.22617	0.6
503.20358	4.4
504.21164	0.5
505.22263	1.3
507.23840	1.7
515.20782	0.7
516.21326	0.8
517.22430	0.9
519.23840	1.5
521.25653	1.1
532.20929	0.5
533.22345	1.5
534.26508	2.5
535.23193	15.6
536.24194	2.5
545.25458	0.9
547.23279	3.7
548.24414	2.1
549.25049	1.9
550.25885	0.6
561.25098	0.6
562.25439	14.6
563.26477	17.7
564.26202	1.1
566.28986	1.2
575.23157	1.2
579.25867	2.0
589.25439	0.5
590.25134	8.2
591.25653	0.7
593.25238	6.3
594.28180	6.4
605.28052	0.8
607.25409	5.3
622.27783	100.0
623.28229	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.27
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.16563	0.9
55.97395	0.9
62.10144	1.0
63.32913	1.0
67.05496	1.0
70.29160	3.7
73.62556	1.0
81.07063	1.9
85.10580	1.0
93.07053	2.5
95.08588	1.1
102.00346	0.9
121.34715	1.0
128.10728	1.2
140.10696	3.2
250.53793	1.1
388.17224	1.4
389.17740	3.4
390.18390	2.3
401.17999	1.1
403.19455	5.4
404.20007	2.6
405.20706	1.6
416.15894	1.8
417.16895	3.9
417.20966	4.2
418.21979	1.9
419.22461	7.7
429.17462	1.2
430.17642	1.6
431.18051	5.9
432.19522	3.1
433.20041	2.2
445.20105	5.2
446.21301	5.8
447.21729	10.7
459.22067	1.4
460.22787	1.5
474.20526	5.9
475.21194	8.6
487.21387	1.9
501.22830	1.4
505.26584	1.3
533.25525	14.9
561.24969	20.4
589.24091	1.4
593.27441	4.1
621.27020	100.0
622.27087	5.1
649.80646	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	15.6
55.01872	16.2
55.05508	31.4
57.03438	13.1
59.05014	3.0
65.03941	5.0
67.05505	72.4
69.03423	32.0
69.07071	17.8
71.01350	5.1
71.03667	4.4
71.04656	2.1
71.04982	12.4
79.05489	63.9
81.03416	100.0
81.07057	77.5
83.01346	8.4
83.04977	29.8
83.08619	18.7
85.02898	13.1
85.06541	5.9
91.05479	41.9
93.07042	67.8
95.04960	20.4
95.08606	29.1
96.67993	2.4
97.02891	20.5
97.06519	9.9
97.10154	10.5
99.04455	10.0
99.08147	3.8
103.05555	3.1
105.07027	30.1
107.04961	16.7
107.08593	36.7
109.02870	23.2
109.06509	9.8
109.10187	8.0
111.04449	18.4
111.08102	8.6
115.05471	3.1
116.83905	1.9
117.06998	20.2
119.04965	3.7
119.08555	21.3
121.06538	8.3
121.10136	16.7
123.04431	3.5
123.08047	10.1
123.11752	4.3
123.44659	2.0
125.09666	6.4
127.03909	17.1
128.06264	3.3
129.07037	8.7
130.07782	2.1
131.04947	2.9
131.08554	17.7
133.06537	5.2
133.10138	14.3
135.04449	3.3
135.08073	5.5
135.11693	21.2
137.05966	2.6
141.07047	2.2
143.08595	5.2
145.06522	5.7
145.10135	19.7
147.08104	5.2
147.11731	10.1
149.05992	3.0
149.09549	3.2
149.13237	14.8
151.11223	2.7
153.12726	9.8
155.08624	5.6
157.10127	3.1
159.08069	2.3
159.11774	7.1
161.09674	3.6
163.11182	24.4
165.12796	5.0
169.10110	3.2
171.11629	3.4
173.04515	8.9
173.05881	2.6
173.09671	6.5
173.13324	2.9
175.11258	6.3
177.12802	6.6
181.06612	2.2
181.12321	9.6
183.06656	3.0
189.11252	2.3
191.10715	9.1
193.12364	6.1
195.13751	15.8
209.11678	13.0
222.59048	2.2
227.12762	17.4
233.15477	3.1
256.68991	2.3
267.15994	5.1
269.17612	5.4
275.16486	2.7
283.15503	8.8
303.16000	2.9
321.17053	6.8
339.18085	10.5
353.16037	8.5
395.20804	8.0
409.18509	2.7
459.27451	7.1
477.28204	10.2
529.28040	2.3
603.31702	7.1
621.32867	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.6
53.03948	8.2
55.01873	9.6
55.05513	18.0
55.32831	1.2
57.03435	9.8
59.05000	1.7
65.03926	2.4
65.27265	1.2
65.89537	1.0
67.05502	30.7
69.03083	1.4
69.03424	14.3
69.07072	9.1
71.01344	2.7
71.05003	6.3
75.41146	1.0
78.81382	0.9
79.05067	2.3
79.05495	32.3
81.03420	100.0
81.07060	36.1
83.04988	17.1
83.08623	19.2
85.02908	20.0
85.06555	2.2
91.05482	43.6
93.07043	23.2
95.04970	34.6
95.08619	12.4
97.02900	16.5
97.06509	6.2
97.10168	6.8
99.04460	5.3
103.05475	2.3
105.06392	2.3
105.07036	29.3
107.04961	14.5
107.08604	11.3
109.02879	20.8
109.06534	6.8
109.10148	5.4
111.04450	13.8
111.08076	9.6
113.05999	1.4
115.05437	3.0
116.06262	1.3
117.07026	8.0
119.04964	2.7
119.08578	22.9
121.02869	1.5
121.06488	6.5
121.10165	9.9
123.04423	7.1
123.08106	3.5
123.11693	1.9
125.02372	2.1
125.09630	5.6
127.03917	9.1
128.06239	2.6
129.07011	16.1
131.04897	4.1
131.08585	16.2
133.06502	5.8
133.10127	12.6
135.04488	1.9
135.08049	3.9
135.11711	3.3
137.02356	1.3
137.06007	3.5
137.09583	2.8
141.07005	2.1
142.07797	3.3
143.08560	4.6
145.06491	4.9
145.10100	7.1
147.04428	2.9
147.08060	5.0
147.11688	14.4
149.05911	2.2
149.09608	8.4
151.07520	1.8
151.11211	2.6
153.01816	4.0
153.12743	3.2
155.08556	2.1
157.06511	1.8
157.10129	13.8
159.08049	3.6
159.11691	2.7
161.06018	2.9
161.09679	2.0
163.11142	7.0
165.12785	4.2
169.10095	1.9
171.08058	1.9
171.11656	3.0
173.04495	2.9
173.05969	1.9
173.13359	1.4
175.07545	1.6
175.11215	12.7
177.12732	1.8
181.12309	3.5
183.06729	1.3
183.11681	1.8
185.09561	1.6
187.11218	1.3
189.05385	2.2
189.11208	2.8
189.12813	1.8
191.10693	3.8
193.12242	42.3
197.13330	1.5
205.12238	1.2
209.11813	1.5
209.15474	1.2
211.13290	43.6
213.12737	2.0
217.12321	1.4
223.13318	2.3
227.12788	5.0
231.13881	1.4
235.13350	3.6
249.14928	2.8
255.13878	1.4
259.13474	1.8
267.15869	11.1
272.84140	1.3
273.14877	10.1
279.16098	1.5
283.13098	2.0
285.16937	8.0
287.05649	1.8
289.14371	1.8
291.15955	2.0
301.14352	14.3
303.15906	1.4
309.16974	1.3
319.15329	7.3
337.16507	3.8
355.17450	4.4
367.22977	2.4
375.18076	4.2
385.23770	4.9
393.19125	3.9
411.20129	2.9
452.04037	1.4
459.27313	6.5
477.28531	4.6
495.29395	2.8
543.29755	1.8
567.30054	1.7
573.30347	2.1
585.30713	6.6
603.31628	7.6
621.32660	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.27
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
52.73273	0.4
69.55896	3.8
81.85887	0.4
121.97392	0.4
204.06731	0.5
207.09079	0.4
218.13567	0.4
373.14877	0.7
375.16089	0.8
387.16098	0.8
388.16824	1.1
389.17487	3.3
390.18677	0.8
391.19510	1.0
395.83185	0.5
401.18085	0.7
402.18512	1.2
403.14899	0.6
403.19467	5.0
404.19965	2.6
405.20831	2.6
416.16455	1.6
417.17072	3.4
417.21051	2.7
418.22137	0.8
419.17679	0.6
419.22455	7.9
420.22858	0.8
429.16888	0.7
430.17676	1.1
431.18130	7.6
431.23627	0.8
432.19016	2.6
433.20084	3.0
443.18448	0.7
445.20178	6.5
446.20871	7.4
447.21820	10.0
448.22525	0.7
457.19812	0.8
459.22507	3.5
460.18521	0.9
461.19705	1.2
463.20914	0.7
473.19107	1.2
473.24646	0.8
474.20276	6.5
475.21259	8.9
487.21326	3.4
488.21951	1.0
491.20236	1.0
501.23059	2.1
505.26672	1.1
519.20020	0.9
533.25464	15.8
534.26019	0.9
561.24927	22.8
562.25616	0.8
589.24060	0.8
593.27679	5.2
621.27057	100.0
622.27167	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	621.27
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82032	2.7
52.37597	2.8
54.36378	2.7
69.40451	6.9
69.40869	19.2
76.69215	2.9
81.34316	2.6
103.69679	3.2
214.64120	2.6
235.61116	2.9
263.24713	2.6
271.08331	2.9
279.73846	2.9
321.60806	2.8
403.19186	8.0
417.16632	5.5
419.22211	7.4
431.18515	5.6
445.20230	8.8
446.21320	4.6
447.22034	13.0
474.20667	10.3
475.21481	16.0
524.48315	3.1
525.90918	3.2
533.25586	11.4
552.30145	4.4
561.24994	86.2
562.26141	4.0
589.24725	3.7
621.27039	100.0
622.27600	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	621.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01857	0.6
55.05510	6.2
65.03934	1.5
65.83208	0.5
67.05503	1.2
68.99823	0.8
69.03432	5.5
71.56911	0.8
71.57280	0.8
75.31865	0.5
79.76035	0.5
81.03405	1.4
83.04977	24.1
85.02896	4.4
93.03385	3.5
95.04948	0.6
97.02921	2.6
109.02886	1.8
111.00778	1.2
111.04431	10.1
111.05196	0.6
121.02863	2.8
123.04439	0.6
127.03957	2.8
137.02359	3.9
139.03900	9.6
145.04918	1.0
153.01823	10.8
153.03003	1.0
154.02185	2.8
155.02251	2.5
156.02592	0.6
157.04958	7.4
163.03870	0.9
165.01826	1.8
183.03024	0.5
199.05971	0.5
201.05467	2.2
229.05006	5.0
247.06009	1.1
257.04379	2.7
274.04575	0.8
283.08139	2.1
285.03940	1.7
299.24292	0.5
301.09311	1.0
303.04984	100.0
304.05386	4.1
305.05676	2.5
306.05679	0.8
307.05966	1.4
319.10272	2.8
382.38440	0.6
410.16049	0.6
621.21161	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01857	0.6
55.05510	6.2
65.03934	1.5
65.83208	0.5
67.05503	1.2
68.99823	0.8
69.03432	5.5
71.56911	0.8
71.57280	0.8
75.31865	0.5
79.76035	0.5
81.03405	1.4
83.04977	24.1
85.02896	4.4
93.03385	3.5
95.04948	0.6
97.02921	2.6
109.02886	1.8
111.00778	1.2
111.04431	10.1
111.05196	0.6
121.02863	2.8
123.04439	0.6
127.03957	2.8
137.02359	3.9
139.03900	9.6
145.04918	1.0
153.01823	10.8
153.03003	1.0
154.02185	2.8
155.02251	2.5
156.02592	0.6
157.04958	7.4
163.03870	0.9
165.01826	1.8
183.03024	0.5
199.05971	0.5
201.05467	2.2
229.05006	5.0
247.06009	1.1
257.04379	2.7
274.04575	0.8
283.08139	2.1
285.03940	1.7
299.24292	0.5
301.09311	1.0
303.04984	100.0
304.05386	4.1
305.05676	2.5
306.05679	0.8
307.05966	1.4
319.10272	2.8
382.38440	0.6
410.16049	0.6
621.21161	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86956	1.6
53.03942	2.8
53.36808	1.6
55.05503	4.5
56.05036	3.1
57.03429	1.5
59.12272	1.6
60.04527	2.8
64.99281	1.7
67.05500	11.4
69.07063	3.6
71.04993	2.6
75.37804	1.6
79.05496	11.0
80.05038	3.0
81.03397	3.7
81.05782	2.3
81.07073	12.9
82.06573	3.0
83.08597	2.4
87.04458	2.6
91.05476	4.8
93.07035	14.8
94.06557	19.7
95.04977	3.7
95.08613	16.0
96.08130	2.7
97.06518	5.0
105.07001	9.7
107.07319	2.3
110.09692	8.7
111.08074	12.9
116.78752	1.6
122.09661	30.8
123.08062	26.0
128.10712	30.2
138.48364	1.8
140.10699	100.0
141.09087	12.3
144.51888	1.8
145.10168	2.5
158.11780	8.1
170.69308	1.7
223.96967	1.8
300.28958	4.5
401.17535	2.4
403.19458	2.3
410.36209	7.5
417.16766	3.9
419.22263	3.2
422.36307	19.6
431.18289	3.1
440.37372	36.7
445.19888	3.2
446.21121	5.3
447.21655	7.8
464.15097	2.1
474.19858	4.3
475.21173	5.7
487.21042	2.7
533.25342	7.7
561.24902	16.9
593.27661	2.9
620.38910	2.3
621.26990	80.4
635.97516	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.6
53.03939	0.9
55.01868	2.0
57.03440	0.7
57.29037	0.3
61.38832	0.3
63.02342	0.3
65.03934	1.4
67.01863	0.9
69.03429	100.0
70.03777	0.6
71.01363	0.4
71.24424	0.6
79.01857	1.2
81.03420	7.6
83.01347	1.1
83.04984	0.5
85.02915	1.0
91.01842	0.4
92.99775	1.8
93.03391	0.8
95.01325	2.8
95.04973	0.4
97.02895	2.2
99.00814	0.8
99.04472	0.8
101.02390	0.9
105.03399	0.3
109.02879	4.5
111.00809	1.0
111.04466	0.6
113.02389	0.6
114.47542	0.3
119.01296	0.6
121.02866	4.0
123.00792	1.5
125.02364	1.8
127.03920	30.4
135.30125	0.3
137.02327	3.0
139.00253	1.0
139.03973	0.5
141.01834	1.0
147.00801	0.4
149.02325	3.0
151.00291	1.0
153.01857	2.4
163.03859	0.5
165.01833	7.8
166.99786	2.1
167.03398	3.0
169.01318	1.4
171.04462	0.4
177.01834	0.9
181.01289	0.7
182.99254	1.2
183.02844	0.5
185.00876	0.5
187.02350	0.6
189.05534	0.4
191.03438	0.8
192.00563	0.3
193.01328	45.5
194.01744	0.5
194.99275	1.3
195.02925	1.0
199.04005	0.4
202.99559	0.4
203.03386	0.7
205.01305	0.6
207.03014	0.6
209.00829	1.2
211.02353	1.5
215.03384	0.7
217.01437	0.7
217.04990	0.6
219.02893	2.1
221.00813	29.9
222.01138	0.6
222.98677	0.5
223.02292	0.4
229.04991	0.4
231.02959	1.4
233.04704	0.4
239.01823	3.4
243.02834	0.5
245.00865	1.4
245.04341	0.4
247.02403	1.7
249.00151	0.4
259.02399	1.0
261.03992	0.7
263.01999	0.5
267.01367	3.7
271.02408	1.1
273.00333	1.5
273.03876	0.6
275.01837	2.6
287.01556	0.4
289.03397	1.6
300.99872	0.4
301.03485	0.5
303.01395	1.3
304.83093	0.4
319.04410	0.6
327.01300	0.6
337.05527	1.5
347.03903	3.0
365.05145	1.0
401.05112	0.6
429.06049	0.4
431.02417	1.0
433.04184	0.4
449.03452	3.3
459.01886	2.6
467.04617	0.5
477.03061	9.1
495.04239	0.8
513.05157	0.6
603.05884	0.6
621.07214	35.4
622.07135	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.05510	8.5
57.03440	9.1
59.05000	2.3
61.02922	2.8
65.03935	2.9
67.05505	62.1
69.03420	3.0
69.07062	8.9
71.04974	3.7
72.47177	1.1
74.99102	1.3
79.05497	14.8
81.03431	10.9
81.07059	37.8
81.30365	1.0
83.04965	3.3
83.08600	6.5
85.02895	2.9
85.06538	2.1
87.92902	1.1
89.39192	1.2
91.03896	1.1
91.05492	14.6
93.07041	18.5
95.04967	2.9
95.08614	11.2
97.02875	2.1
97.06504	3.3
105.07027	5.3
107.04964	2.1
107.08596	11.2
109.02859	1.3
109.06507	2.2
109.10161	41.0
111.04417	1.4
111.08083	3.4
117.07021	3.6
119.08569	5.2
121.10155	4.5
123.11729	1.4
131.08540	4.2
133.10138	2.9
135.11693	3.2
145.10149	1.8
147.04482	2.0
149.02348	6.1
149.13245	10.3
153.01788	1.7
155.10628	1.4
159.11664	5.3
173.11743	11.6
177.12708	2.7
193.04932	3.3
195.13806	5.9
227.12796	1.5
229.12082	2.5
229.14351	39.2
229.73906	1.7
237.07538	1.5
246.81166	1.3
269.17493	36.6
423.27426	100.0
532.32990	1.4
607.67950	1.2
621.16443	2.6
621.32434	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
62.11147	2.9
65.71352	3.0
66.16210	3.3
68.13876	2.9
69.56200	12.2
69.56632	12.2
87.04462	3.1
89.54390	3.4
111.39938	3.1
112.29002	2.8
138.34126	3.2
152.45587	3.0
327.15686	12.9
406.35706	3.5
468.22513	3.2
513.52112	3.3
619.35376	100.0
620.36188	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	619.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95887	6.6
55.05510	61.6
57.07084	12.7
66.93316	6.3
67.05502	42.8
69.03435	14.8
69.07059	10.9
71.04998	9.8
71.58526	12.9
75.06364	6.9
79.05480	34.0
81.07047	63.3
83.04961	17.0
83.08615	83.2
85.06525	15.1
87.04462	17.4
91.05464	46.9
93.07047	78.2
95.04962	22.8
95.08608	44.3
97.06544	35.5
99.04298	7.1
105.07030	100.0
106.55936	6.0
107.08581	89.4
109.06503	19.5
109.10154	58.9
111.08069	10.3
113.09652	15.2
114.82447	7.7
117.07018	21.6
118.76908	6.9
119.08580	92.4
121.10145	61.7
123.08078	24.6
123.11697	10.4
125.09644	16.2
129.06984	9.9
131.08583	38.0
133.10124	63.7
135.08063	15.8
135.11671	24.7
137.09610	14.6
139.11197	22.3
141.06969	9.4
142.07726	17.6
143.08566	36.2
145.10109	59.5
146.15877	6.9
147.07983	12.8
147.11676	32.7
149.09599	13.0
149.13277	11.6
151.07571	9.9
155.08600	11.9
155.10684	17.7
156.09261	7.7
157.10147	61.9
159.11691	44.3
161.13220	11.2
163.11191	16.7
165.09114	14.6
169.10139	23.7
171.11691	24.0
173.13199	16.9
175.14876	15.7
179.08485	9.4
179.14378	8.7
181.10199	12.6
181.12244	42.4
183.11690	26.1
185.13292	18.0
187.14812	8.4
191.14275	13.4
195.11710	14.4
197.13254	19.5
199.14818	31.4
207.11722	8.4
209.13394	18.0
211.14917	15.6
221.13341	17.3
221.15358	62.0
223.14835	17.1
225.14851	24.4
233.15411	15.0
273.45703	8.2
283.20599	9.8
287.20297	12.5
300.20734	9.0
301.21680	9.7
367.26013	9.4
393.27667	7.8
454.44241	8.0
458.16483	9.0
539.36646	9.8
583.41376	16.4
601.41791	14.2
619.42926	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	619.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.3
50.34894	0.2
51.02378	1.0
51.30831	0.2
53.03944	0.4
55.01860	0.4
55.05511	0.3
67.05504	0.6
69.03423	1.0
69.07057	0.2
70.93403	0.5
71.05009	0.3
73.02917	0.2
79.01849	6.4
79.05479	0.7
80.02201	0.2
81.03405	1.5
81.07051	2.7
85.02905	0.5
85.06540	2.0
85.34276	0.2
91.05491	0.9
93.07024	0.4
95.04955	0.6
95.08626	0.2
97.02887	2.8
99.04460	0.3
105.07014	0.2
107.01305	1.3
107.04927	0.3
109.02879	3.3
109.06512	3.0
110.37957	0.1
111.04436	0.2
113.05981	0.3
121.02875	0.2
123.00755	0.3
125.02344	4.1
127.02970	0.2
127.03915	4.3
127.07547	1.7
137.02325	0.5
137.05962	1.9
143.03394	9.4
145.04951	1.1
153.01826	100.0
153.02823	4.2
154.02162	1.4
155.07025	4.7
159.04402	0.2
163.03888	0.6
165.01826	0.3
171.02866	0.2
173.08130	1.1
177.05487	0.2
183.02922	0.2
191.03419	1.6
201.05463	0.4
205.05005	0.2
209.04480	0.5
213.03915	0.7
219.03032	0.3
227.09114	0.4
229.05029	0.6
233.04454	0.5
237.03934	4.0
252.36159	0.2
257.04520	0.3
261.04016	0.5
279.04984	1.0
281.10214	0.6
297.05978	0.2
299.11069	0.2
303.04974	11.0
345.06018	0.2
354.85654	0.2
449.07129	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.3
50.10805	0.1
51.02383	1.0
53.00309	0.2
54.83627	0.2
62.59671	0.1
69.03428	0.4
71.57104	0.2
71.57514	0.3
73.31571	0.2
79.01853	6.4
81.03405	0.8
84.14764	0.2
97.02886	1.4
107.01308	1.3
109.02874	0.6
110.80174	0.2
123.00790	0.2
125.02342	4.2
127.03931	1.7
143.03400	8.7
153.01825	100.0
153.02803	3.8
154.02142	1.5
187.03983	0.3
205.04984	0.2
233.04385	0.5
261.03912	0.6
279.04932	0.6
293.79718	0.2
297.06061	0.3
305.02859	0.3
449.07202	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.4
51.02377	0.7
52.70381	0.2
55.01873	0.3
55.69568	0.2
55.89892	0.2
56.05135	0.2
56.39749	0.2
65.34885	0.2
67.18006	0.2
69.03413	0.4
69.47423	1.4
74.14349	0.2
79.01855	6.8
81.03407	0.7
85.28139	0.2
87.62852	0.2
92.09592	0.2
94.05310	0.2
97.02881	1.3
107.01328	1.2
109.02844	0.8
123.00803	0.3
125.02349	3.9
127.03931	2.1
143.03395	9.5
144.03728	0.2
153.01828	100.0
153.02815	4.1
154.02173	1.5
205.04985	0.2
213.01863	0.2
213.03882	0.2
233.04448	0.6
237.04007	0.3
261.03967	0.4
277.03387	0.3
278.94769	0.2
279.04846	0.7
297.06033	0.3
305.02887	0.2
449.07181	0.7
541.93555	0.2
584.29852	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	617.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17274	7.8
55.01870	13.1
55.05497	36.3
59.91030	7.7
61.36172	7.7
62.42946	7.5
67.05499	39.5
69.07054	28.5
69.51876	57.1
69.52285	12.1
79.05484	24.0
81.03397	33.3
81.07058	39.7
83.04972	13.5
83.08607	25.1
91.05475	21.9
93.07032	29.0
95.04959	69.8
95.08601	22.0
97.10120	19.8
105.07037	14.3
107.04965	11.3
107.08566	23.4
107.72874	7.2
109.06516	10.6
109.10152	14.2
111.04440	18.7
111.08092	17.6
112.49593	8.6
119.08579	15.0
121.10084	8.5
123.08067	8.6
125.09621	29.9
130.91443	8.7
131.08508	13.3
139.07504	12.8
145.10083	15.8
146.31616	7.6
147.04340	13.4
147.08043	8.2
149.09639	17.0
151.11128	21.3
153.09120	10.7
163.11159	23.0
166.43356	8.6
177.12717	8.4
189.11194	20.0
221.15405	10.3
223.13271	29.3
259.13348	14.3
275.20065	17.5
293.21173	100.0
576.66199	9.2
617.39917	35.4
617.49805	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	618.436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26077	3.2
51.76001	3.6
53.03940	6.5
54.05919	3.4
55.05503	8.0
57.07067	15.3
61.31310	3.4
67.05492	20.7
69.07046	11.8
69.17397	3.1
70.90852	8.3
76.24001	3.4
79.05496	14.7
81.03410	16.6
81.07057	20.2
83.04987	8.1
83.08611	5.8
85.10188	31.0
87.04455	10.3
91.05466	19.4
93.07052	24.0
95.04957	13.0
95.08589	15.8
97.10130	5.1
105.07006	14.6
107.04952	11.4
107.08595	8.8
109.06503	5.2
109.10138	5.8
113.09624	43.1
119.08627	7.4
121.10123	10.9
123.11672	6.0
131.08615	4.7
133.10117	10.0
139.07524	4.5
145.10103	5.2
147.11656	8.9
149.09619	8.4
151.11172	10.7
163.11220	8.6
165.12785	42.6
171.11700	4.0
221.82312	3.6
277.21579	47.0
285.18900	4.7
292.21768	3.7
295.22638	100.0
337.57446	4.8
393.29694	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	619.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.4
51.02365	0.8
51.76797	0.2
53.03951	0.1
55.01866	0.3
55.25846	0.1
57.40201	0.1
64.30504	0.1
69.03429	0.4
71.16068	0.1
71.16396	0.3
79.01848	5.8
81.03403	0.6
81.07054	0.3
91.05508	0.2
93.07049	0.1
93.96494	0.1
97.02898	1.5
99.04444	0.2
103.44655	0.1
105.07050	0.2
107.01334	1.2
107.04958	0.2
109.02892	0.7
109.06501	0.2
123.00814	0.2
124.06696	0.1
125.02332	3.9
127.03919	2.6
133.10092	0.1
143.03391	9.3
153.01820	100.0
153.02805	3.8
154.02133	1.3
163.03848	0.7
188.03783	0.2
191.03407	1.6
205.04872	0.2
209.04474	0.5
213.03938	0.5
217.32249	0.1
219.02928	0.4
221.04291	0.2
224.79556	0.1
233.04472	0.4
237.03934	3.6
237.06212	0.3
237.91266	0.1
246.90500	0.1
259.49960	0.1
261.03952	0.5
279.04971	0.9
284.63455	0.2
297.06030	0.4
303.05014	0.4
362.42688	0.1
449.07098	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.5
51.06505	0.4
52.29381	0.4
53.03939	0.5
65.97012	0.4
68.99792	0.6
69.03416	0.8
73.93413	0.5
79.01849	4.7
79.38934	0.4
81.03400	0.7
85.02892	1.4
87.44926	0.4
93.03407	0.5
97.02887	1.6
98.20683	0.6
107.01319	1.3
109.02878	1.8
110.52375	0.4
111.00783	0.7
121.02876	1.0
121.95185	0.4
125.02339	4.2
127.03903	1.8
137.02324	2.8
143.03384	7.9
145.04942	0.5
153.01822	100.0
153.02800	3.8
154.02126	0.9
163.03972	0.5
165.01836	1.7
171.02901	1.4
173.05986	0.5
177.23004	0.4
183.02963	0.7
195.02933	0.8
201.05489	1.8
229.04935	3.3
232.59332	0.4
233.04202	0.6
248.98427	0.4
257.04340	2.2
285.03857	0.7
297.06107	0.8
303.04971	66.3
304.05258	1.0
315.07114	4.6
345.06046	0.9
369.06274	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1129
Annotation	Quercetin 4'-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
51.02382	1.0
53.03938	0.6
59.82434	0.5
64.25531	0.5
67.67748	0.5
68.67792	0.5
68.99776	0.6
69.03414	1.8
69.40981	0.4
70.70111	1.5
79.01849	3.8
80.89940	0.5
81.03410	6.5
85.02899	1.8
97.02888	4.1
99.04419	0.7
107.01321	1.4
109.02879	4.4
124.40559	0.6
125.02312	3.2
127.03912	6.2
137.02332	1.4
143.03381	6.0
145.04951	1.5
153.01820	100.0
154.02246	0.6
165.01842	1.4
171.02878	11.4
171.04263	0.9
201.05424	1.4
229.05019	1.8
241.61702	0.4
255.05089	0.5
257.04398	0.8
285.03983	0.8
297.06039	11.6
303.04974	66.2
304.05307	1.3
315.07025	3.0
345.06143	0.6
374.44687	0.5
449.56113	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1132
Annotation	Quercetin 3-(2''-galloylgalactoside)
Peak:m/z	Relative Intensity
66.49775	0.7
69.03431	9.3
69.70940	3.3
69.71349	1.3
79.01836	3.2
90.26058	0.6
91.66722	0.6
97.02888	1.4
107.01311	1.2
109.02926	1.2
125.02378	2.1
127.03882	4.7
137.02246	1.1
143.03403	6.6
143.56796	0.6
153.01825	100.0
154.02209	1.0
159.04405	1.0
163.03845	0.8
165.01825	0.9
171.02872	1.5
179.03445	1.5
181.41533	0.7
191.03419	1.6
205.05022	0.7
207.02911	1.2
229.04980	0.9
229.31398	0.6
233.04500	1.3
237.03955	2.3
297.06064	2.7
303.05002	24.3
315.07169	4.2
329.96921	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1135
Annotation	Quercetin 4'-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
51.87820	0.6
53.03933	1.4
55.01864	0.5
61.02913	1.4
68.99789	0.9
69.03426	5.1
70.90885	1.0
71.04967	1.1
74.95109	0.4
79.01857	3.2
81.03414	3.1
85.02898	5.3
87.66991	0.4
91.56499	0.4
93.03365	0.5
93.07078	0.5
97.02889	15.3
99.04438	1.5
102.67107	0.4
107.01328	1.3
107.04958	0.5
107.67524	0.5
109.02886	3.9
111.00774	0.7
111.52698	0.5
121.02841	0.6
125.02369	2.4
127.03913	4.8
135.27771	0.4
137.02319	4.3
137.05972	0.6
143.03394	5.2
145.04962	3.3
149.02345	0.7
153.01823	61.3
155.04823	0.6
159.28207	0.5
163.03879	0.4
165.01833	2.6
171.02864	7.4
183.02832	0.8
201.05453	1.7
229.04959	4.1
247.06061	1.0
257.04437	2.6
277.03400	1.0
285.03885	1.3
297.06116	1.2
303.04984	100.0
304.05301	1.7
315.04715	0.6
341.68546	0.6
395.15952	0.6
617.21710	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.0769
Annotation	Phyllanemblinin A
Peak:m/z	Relative Intensity
50.01595	0.7
50.48748	0.5
51.02371	0.9
51.25273	0.4
53.03932	0.6
55.93776	0.6
59.93007	0.6
60.00464	0.5
69.03426	5.9
69.69646	3.3
70.33178	0.5
71.04967	0.7
74.99036	0.6
79.01853	7.9
81.03407	4.0
85.02907	1.5
97.02887	3.1
97.19046	0.6
99.04469	0.8
102.48161	0.5
103.05487	0.9
107.01323	2.1
109.02868	2.4
122.35617	0.6
125.02338	5.7
127.03909	5.9
129.03282	0.8
137.02209	0.7
137.05977	2.2
143.03386	11.1
153.01825	100.0
153.02832	4.1
153.21019	0.6
154.02156	0.8
157.02835	1.0
163.03876	0.9
171.02882	1.2
175.03949	1.2
185.02377	0.8
187.03917	3.6
191.03409	1.9
201.01788	1.4
203.03362	3.7
207.02963	0.7
213.01814	2.5
215.03352	2.8
229.01274	1.0
231.02866	14.9
237.03951	1.1
241.01332	2.5
247.02405	1.9
257.00885	1.5
259.02390	24.6
275.01813	2.3
276.02594	1.9
277.03427	91.7
278.03802	1.8
279.05084	0.7
285.00143	1.4
297.06113	1.4
303.01401	21.1
303.04880	3.0
321.02484	1.7
354.23138	0.6
363.03397	2.4
532.17566	0.5
617.07837	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59494	9.8
55.05505	41.9
57.07058	15.3
59.20313	10.6
67.05512	23.8
69.07070	25.4
71.08049	26.5
74.12297	11.1
77.58632	9.0
79.05484	31.4
81.03404	11.4
81.07056	21.8
83.08610	16.0
85.10181	31.0
91.05463	40.2
93.07035	55.2
95.04963	38.4
95.08575	28.3
105.07021	31.7
107.04956	79.6
107.08605	15.5
109.06545	16.5
113.09627	35.7
117.07053	11.7
119.08560	29.9
121.64807	11.0
133.10115	25.5
143.08464	13.7
145.10135	20.8
147.11656	19.9
149.09596	43.6
150.41533	11.8
151.11214	19.2
163.11163	28.3
165.12746	36.8
171.11569	13.2
180.69893	12.8
221.15323	19.7
275.19995	76.6
277.21518	50.8
293.21210	25.1
295.22614	100.0
378.40884	12.6
390.29749	11.0
468.78442	11.9
603.95544	11.9
616.40704	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	615.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	16.4
55.05506	32.3
57.07070	24.4
67.05489	61.3
69.07057	21.2
70.84103	39.1
79.05484	58.1
81.07047	52.7
91.05471	37.5
93.07030	85.3
95.04941	30.8
95.08586	55.3
103.05498	16.0
105.07038	74.3
107.08593	63.4
108.39030	16.0
109.06531	19.2
109.10165	45.1
117.07068	21.6
119.08578	81.4
119.29124	14.8
121.10130	38.1
123.08035	30.9
123.11688	18.1
125.09606	24.2
131.08569	19.3
133.10127	59.5
135.11679	23.3
137.09633	20.9
145.10120	61.5
147.08064	20.2
147.11719	25.0
149.09610	27.6
151.07549	38.4
157.10114	35.1
159.11684	37.5
161.09682	17.8
161.13248	27.6
163.11137	18.4
165.09145	39.2
171.11720	22.4
173.13239	19.0
175.14684	40.0
181.12152	26.2
185.13217	19.4
189.12712	24.1
193.10130	21.8
197.13211	16.7
199.15004	24.1
203.14349	24.1
211.11279	17.8
221.15280	100.0
286.19318	18.0
587.47583	19.2
615.44501	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.6
55.01867	9.9
55.05523	28.3
57.07055	4.7
67.05508	19.8
69.07061	8.0
69.64215	24.3
71.05000	5.2
71.08606	3.3
79.05495	39.9
81.03414	10.0
81.07049	32.3
83.04988	8.8
83.08614	12.7
85.06557	4.5
91.05491	18.5
93.07044	28.8
95.04966	37.6
95.08587	11.6
97.06554	3.7
97.10189	10.7
98.21503	4.2
101.24855	3.3
105.07034	16.5
107.04953	100.0
107.08579	12.2
109.06506	7.3
109.10203	7.4
111.04453	15.6
111.08050	4.3
117.07001	7.2
119.08557	20.7
121.06508	11.4
121.10123	10.5
122.88427	3.1
123.08095	8.0
125.09636	11.4
131.08569	14.5
133.10143	19.0
135.11662	5.5
139.07529	8.9
143.08591	5.3
145.10162	8.0
147.11726	7.3
149.09639	57.7
151.07555	5.0
151.11197	7.3
153.09087	6.7
157.10126	6.4
159.07965	3.2
159.11687	7.6
163.11208	15.3
173.09695	3.7
175.11082	3.3
176.26271	3.5
177.12762	7.8
181.10159	4.4
181.12247	6.0
189.11188	6.4
191.10667	6.1
197.13263	3.4
203.10690	10.8
221.15384	8.2
223.13229	12.3
227.12741	5.0
273.18585	7.5
275.20068	12.6
287.16449	7.6
291.19568	16.6
293.21100	59.5
556.68219	3.4
615.43512	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	614.462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	35.5
57.07069	28.1
57.08165	14.0
67.05511	85.9
68.75465	14.2
69.07046	44.4
71.18899	23.0
71.19221	22.2
79.05492	45.3
81.03418	78.2
81.07042	62.8
83.08624	25.0
85.10172	41.6
89.06021	26.1
91.05463	54.4
93.07025	43.3
95.04977	37.0
95.08600	56.3
97.06512	23.7
105.07038	47.9
107.04932	36.3
107.08615	17.4
109.10146	36.1
111.23438	15.2
113.09615	34.5
119.08583	30.6
121.10149	27.4
129.07013	21.0
133.08589	20.4
135.11646	19.7
145.10146	17.9
147.11618	18.1
149.09624	23.5
163.11165	24.1
165.12755	44.4
204.57271	13.7
241.74509	17.0
267.15851	100.0
277.21704	31.3
295.22699	41.9
337.27454	82.4
385.02313	17.3
460.72675	16.8
529.38843	56.4
614.81238	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	0.4
52.03145	0.3
53.03938	1.2
55.01859	0.8
57.03425	0.5
65.03932	2.4
65.27946	0.3
67.01866	0.3
67.05499	1.6
68.99786	0.4
69.03425	1.4
69.66949	0.2
69.67275	2.3
71.01345	0.3
76.65266	0.3
79.05469	0.4
81.02980	0.5
81.03416	5.6
81.07059	0.6
85.02888	1.8
91.05463	0.6
93.03389	0.7
93.07000	0.4
93.45038	0.3
95.04960	1.4
97.02892	1.6
99.04477	0.7
105.07033	0.5
107.04951	0.7
108.02092	2.1
109.02870	2.6
109.06526	0.3
110.03709	0.4
111.00854	0.4
111.04433	3.8
121.02861	0.7
121.04019	0.3
121.10159	0.3
123.04383	0.6
125.06003	2.6
127.03872	1.6
131.08601	0.3
133.02809	0.3
135.04333	0.4
136.01465	0.4
137.02361	1.6
137.05965	1.2
139.07562	0.3
141.05469	4.0
143.49278	0.3
145.02895	0.4
147.04355	0.3
151.03899	100.0
151.04970	6.1
152.04265	0.7
153.01801	3.7
154.57065	0.3
163.03848	0.5
163.93314	0.3
165.01854	1.0
169.03563	0.4
169.04962	7.6
175.07529	0.3
177.05400	0.6
181.04921	0.4
181.08633	0.3
183.02913	0.3
201.05417	0.7
213.75867	0.3
228.04236	0.3
229.04907	1.8
241.12390	0.4
247.05937	0.4
257.04379	1.2
285.04187	0.5
295.08109	6.3
303.04977	30.9
304.05304	0.9
313.09219	2.0
345.06165	0.9
499.42099	0.3
615.21851	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.7
55.05510	31.9
67.05494	18.0
69.07068	11.7
71.04990	2.5
71.18904	6.7
71.19268	3.6
75.41714	2.5
75.76077	2.9
79.05489	27.9
79.70356	2.6
81.03414	7.8
81.07056	21.9
83.01240	3.1
83.04987	7.1
83.08621	15.5
89.06025	5.8
91.05477	17.7
93.07026	23.7
95.04971	24.2
95.08595	9.3
97.06541	6.0
97.10193	4.8
105.07030	21.3
107.04950	100.0
107.08600	11.5
109.06538	3.9
109.10178	5.5
111.08052	6.8
117.07034	7.4
119.07844	3.6
119.08563	21.1
121.06520	7.0
121.10153	11.6
125.09646	3.7
129.06993	3.7
131.08533	10.1
133.08592	3.8
133.10155	19.5
135.11676	5.9
137.09579	3.0
139.07516	6.1
145.10120	15.7
147.08031	3.7
147.11687	10.6
149.09637	32.1
155.08435	3.8
159.11700	9.2
161.09547	3.9
163.11186	14.3
167.10663	3.2
169.10220	3.5
173.09749	3.2
173.13258	3.7
175.11188	3.7
177.12790	3.0
203.52469	2.8
223.13309	12.0
239.17998	7.8
240.08627	3.1
257.19006	13.3
275.20084	73.7
293.21115	26.5
306.26752	2.9
332.92114	3.0
337.27448	4.6
378.43695	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	613.4824
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02417	1.0
53.03939	2.7
55.05508	20.4
57.03442	7.1
57.07070	5.0
58.17139	1.1
65.03943	3.0
67.05505	59.0
69.07067	21.9
70.83719	2.6
70.84090	2.4
71.04981	2.0
71.08617	2.5
79.05490	31.5
81.07057	63.5
83.08621	10.7
84.53356	1.1
85.06555	1.8
91.04904	1.5
91.05480	24.9
93.07041	40.1
93.07632	2.0
95.04976	3.8
95.08604	52.2
97.06528	3.3
97.10181	5.5
99.08074	1.5
100.19193	1.2
103.05510	1.3
105.06322	1.5
105.07032	26.9
107.08595	26.0
109.10154	26.5
111.11736	1.5
115.05508	1.5
117.07016	13.3
117.26895	1.2
119.08582	28.6
121.10144	25.1
123.11706	14.2
125.09660	2.0
129.07028	4.6
131.08557	20.4
131.09494	1.2
133.10132	25.5
135.11685	17.7
137.13248	5.2
139.11159	1.6
141.06999	2.0
143.08540	6.6
145.10118	22.7
145.11282	1.2
147.11676	19.8
149.13226	10.1
151.14816	1.4
155.08546	2.9
157.10141	7.1
159.11682	18.4
161.13249	13.7
163.11157	1.4
163.14816	5.5
165.12724	1.3
169.10133	3.0
171.11700	7.1
173.13261	14.6
175.14825	8.0
183.11717	3.4
185.13266	6.6
187.14783	8.1
189.16412	2.3
195.11699	1.5
197.13321	1.8
199.14845	6.4
201.16428	4.3
203.17981	2.7
211.14812	2.0
213.16422	3.4
215.17995	3.3
217.19635	1.7
225.16542	1.6
241.19652	3.0
243.21138	2.9
247.20665	1.6
257.18964	1.3
259.20566	12.6
261.22119	16.8
263.23749	3.2
271.20517	1.6
273.22360	1.6
277.21652	1.9
281.22244	1.1
299.23889	1.7
301.25256	1.9
313.25153	2.0
315.23145	1.9
317.24847	3.0
323.25970	1.5
327.26886	2.0
333.24252	7.2
335.25787	22.2
337.27374	8.0
341.28293	2.8
357.27597	1.5
369.31454	1.6
503.36920	2.1
521.43378	8.1
529.38629	1.6
539.44244	2.8
595.47180	12.4
613.48224	100.0
614.48596	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	613.4821
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03926	2.5
55.01853	2.5
55.05513	25.1
55.83124	1.9
57.03435	5.7
57.07061	5.8
58.13605	1.8
65.03945	3.7
67.05501	72.0
69.07066	27.5
70.88299	2.7
70.88619	3.4
70.97311	1.9
71.08639	2.8
74.09685	1.9
74.11706	2.0
79.05488	34.6
81.06581	4.3
81.07051	81.0
83.08624	11.2
85.06525	2.7
91.05465	29.4
92.34366	2.2
93.07040	41.7
95.04959	4.9
95.08601	54.0
97.06557	4.0
97.10184	4.9
99.08134	2.9
105.07027	27.9
107.08582	29.6
109.10159	29.5
111.11748	2.7
117.07019	12.0
119.08573	30.2
121.10143	27.5
123.11691	12.5
127.01845	1.8
129.07045	5.8
131.08562	26.7
133.10126	30.8
135.11688	18.6
137.13281	3.2
143.08574	7.8
145.10107	25.5
147.11668	16.2
149.13260	11.3
151.11110	2.1
155.08492	2.6
157.10162	8.1
159.11688	17.7
161.13232	13.1
163.14854	4.4
169.10104	5.5
171.11707	8.0
173.13202	13.9
175.14838	4.7
177.16302	2.7
183.11775	3.5
185.13260	7.5
187.14810	6.7
188.49120	2.5
189.16428	4.2
199.14841	6.6
201.16425	6.5
203.17921	2.2
213.16399	3.6
215.18065	2.7
217.19421	2.3
218.05733	2.0
231.20923	2.4
241.19640	5.0
243.21103	3.0
259.20502	10.1
261.22137	14.1
273.22263	3.1
333.24396	5.3
335.25824	16.6
337.27353	8.1
347.96500	2.6
355.30255	2.2
490.36673	2.1
503.37106	3.8
521.43475	6.3
539.44800	2.7
595.47223	15.8
613.48181	100.0
614.48572	3.1
630.50366	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.7
53.03943	5.8
54.89027	1.8
54.89294	2.0
55.01863	5.6
55.05513	28.2
57.03430	1.6
67.05508	11.4
69.07072	2.6
69.27377	4.6
69.27787	14.8
70.37089	1.5
71.04993	1.9
79.05489	41.7
81.03407	3.3
81.07057	24.6
83.04974	5.2
83.08624	5.4
91.05486	13.6
93.07053	15.9
95.04976	14.1
95.08604	5.9
97.10176	7.4
105.07039	6.8
107.04954	100.0
107.08601	5.9
109.06513	2.8
109.10143	2.6
111.04455	9.0
111.08062	1.9
114.55116	1.7
117.07034	7.9
119.08562	8.9
121.06499	6.6
121.10143	6.0
123.08065	3.8
125.09611	5.0
129.07002	4.7
131.08565	6.8
133.10141	4.3
135.11693	2.6
137.09610	2.3
139.07536	4.5
143.08569	4.1
145.10109	7.9
147.07980	3.3
149.09618	43.8
149.10759	3.2
149.13185	1.7
153.09059	2.1
153.12755	1.7
157.10112	3.8
159.11688	2.3
161.09576	3.5
162.47633	1.6
163.11185	6.3
165.67239	1.8
175.11176	2.4
177.12782	3.2
185.13293	2.4
189.11212	4.1
195.11882	2.0
203.10655	4.2
223.13278	3.2
227.12744	3.3
241.15834	1.8
255.17473	2.6
269.15286	3.3
273.18427	11.3
287.16434	6.0
291.19522	31.1
292.16025	1.9
294.65900	1.7
300.13312	1.9
305.17596	1.7
372.45047	2.0
613.38916	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.3
53.03941	7.6
55.01862	7.2
55.05507	7.5
55.88551	1.8
57.03426	6.1
65.03941	4.3
67.05508	9.8
69.03434	15.1
69.07057	4.8
69.94244	4.9
69.94655	9.3
71.04994	8.1
73.02925	4.0
79.05499	20.5
81.03422	19.6
81.07072	11.2
83.01358	2.0
83.04996	5.4
85.02905	25.6
91.05475	36.3
93.07049	22.2
95.04971	15.1
95.08603	7.0
97.02882	10.5
97.06559	3.0
99.04465	3.5
101.06020	2.7
103.05448	12.8
104.91503	2.0
105.07016	13.4
107.04954	12.9
107.08612	5.5
109.02888	7.6
109.06507	9.3
109.10157	3.0
111.04437	7.9
111.08073	4.9
115.05461	14.4
117.07030	15.8
119.04951	10.8
119.08591	6.4
121.06512	15.7
121.10143	2.5
121.81664	1.9
122.03638	9.0
123.04419	7.4
123.08070	11.6
125.05964	4.3
127.03902	10.3
128.06224	5.1
128.64827	1.9
129.05460	3.8
129.07001	9.0
131.04936	21.0
131.08569	7.6
132.05751	2.3
133.06493	5.4
135.04378	3.2
135.08047	8.5
136.05157	4.0
137.05981	98.1
139.07541	11.0
141.06946	6.8
143.04903	6.9
143.08481	2.3
145.06465	18.0
147.04433	8.2
147.08054	4.8
149.05972	6.9
149.09598	5.4
150.06728	3.5
151.03943	12.7
151.07549	100.0
153.01822	9.7
153.05452	3.8
153.06963	4.4
155.06044	4.0
155.08585	5.7
157.06485	9.6
157.10039	2.0
158.07298	2.2
159.08031	4.6
160.05212	6.0
161.05997	17.4
161.09674	2.9
162.06667	3.1
163.07561	30.9
165.05508	3.0
165.07016	7.6
165.09097	10.1
167.07043	59.8
167.08560	10.4
168.07343	3.0
169.06506	8.7
169.10118	3.3
171.06590	2.3
171.08032	8.0
173.05984	12.6
174.06729	4.0
175.07552	33.1
177.09103	28.8
179.07031	6.4
179.08531	4.9
181.04950	17.7
181.06500	10.1
181.10207	5.0
183.08034	13.0
184.08836	2.8
185.05952	3.5
185.09680	3.5
186.06741	2.8
187.07599	18.1
188.08350	2.7
189.05505	2.5
189.09093	22.4
191.07001	8.9
191.08566	6.3
191.10661	5.9
193.06647	2.4
193.08612	6.6
193.10260	3.6
194.07185	3.7
195.08105	10.0
195.10159	62.7
196.08737	3.5
197.06001	4.1
197.09615	6.3
198.06660	2.4
199.05974	3.3
199.07559	5.7
200.08325	3.8
201.09079	21.6
203.07004	3.1
203.08730	2.4
203.10675	6.3
205.08461	4.6
205.10254	3.5
207.08066	6.9
208.08743	3.2
209.06097	2.3
209.07948	4.7
209.09848	11.6
209.11533	3.7
210.06830	3.2
211.07516	6.0
212.08322	4.0
213.09058	16.2
215.08765	2.9
215.10622	10.5
217.08517	3.6
218.07170	2.5
219.08025	7.6
219.10182	7.6
221.09621	8.9
223.07669	2.8
223.11253	2.7
224.08281	3.3
225.09003	16.2
227.10619	16.7
229.08403	4.0
229.12285	3.4
231.10178	7.4
233.09787	3.2
235.07498	2.5
235.11229	5.2
237.09068	9.5
239.10664	7.4
241.08696	6.0
241.12248	11.4
242.76474	2.3
243.10210	10.7
245.11829	9.6
247.07521	3.3
248.08301	4.1
249.09030	5.5
251.07048	2.3
251.10698	13.7
253.12338	4.9
254.09445	3.2
255.10178	8.0
257.09488	3.1
257.11700	16.1
259.13461	3.3
261.08954	3.1
261.11307	3.6
262.09866	3.1
263.10739	3.7
265.12311	4.2
267.10205	7.4
269.11743	21.4
271.13559	3.1
272.07898	2.5
273.08960	3.2
275.10559	3.3
276.07639	3.6
277.08731	3.0
277.12259	5.0
278.09299	3.4
279.10101	2.0
281.11719	6.7
283.13464	3.6
285.08966	3.6
287.12906	6.0
291.10187	8.9
293.08246	3.1
293.11850	4.7
295.13431	4.3
299.13110	3.0
299.16425	2.5
302.09335	3.1
303.10049	4.9
304.10724	2.4
305.11655	4.2
307.09952	3.7
307.13168	4.9
308.10358	4.0
309.11304	5.4
309.14755	3.4
311.13049	3.8
313.14468	3.3
315.10187	4.2
315.13596	3.1
316.10895	2.8
317.11755	7.5
319.09534	3.6
319.13004	2.6
320.10367	3.2
321.11230	8.2
327.10123	3.0
327.16104	5.4
329.11298	2.9
330.12323	4.1
331.13110	4.5
333.11209	4.3
334.12064	2.5
335.12762	8.8
345.14767	2.6
346.11877	2.8
347.12827	3.0
349.14157	5.8
351.16055	2.6
353.13864	3.8
356.13699	2.8
357.14267	4.6
358.11935	2.5
359.12762	4.2
361.14240	5.2
365.13870	4.3
367.15533	17.1
373.14261	5.7
374.15256	2.3
377.17532	3.0
383.16272	3.6
385.13028	9.9
387.14792	11.4
389.17191	4.6
391.15247	3.8
399.15668	4.4
401.17575	18.4
403.15018	3.0
405.16440	7.6
407.18314	7.2
409.20090	3.1
415.18781	4.5
417.16315	13.1
419.18039	6.0
421.16241	3.7
423.21848	6.0
426.63498	2.6
431.18204	11.9
433.20221	33.1
445.19867	3.3
449.19580	16.9
451.21213	76.7
452.21283	2.7
457.20023	2.8
460.19315	2.4
461.19571	4.2
467.20660	2.9
469.22131	6.3
475.20840	7.1
491.19980	2.6
493.21692	4.2
517.22351	3.6
529.21887	3.1
533.21399	2.2
535.22900	2.3
551.22754	2.2
559.23016	4.7
577.24799	10.6
583.21777	3.1
595.25378	23.2
613.26501	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	20.4
57.03432	8.2
63.04944	2.3
63.74342	2.6
67.05500	49.0
69.07072	17.7
70.84029	7.7
71.92023	2.8
79.05490	32.6
80.82066	2.9
81.07051	47.5
83.08638	5.6
85.06497	2.7
91.05472	35.2
93.07046	41.9
95.04967	5.0
95.08595	40.5
96.52347	2.5
97.06545	4.0
97.10188	3.9
99.83089	2.2
102.78864	2.4
105.07032	37.0
107.08601	21.8
109.06573	3.5
109.10159	15.9
110.56908	3.1
115.05493	2.6
117.07018	17.6
119.08572	27.8
121.10142	19.5
123.11701	6.4
128.06256	2.9
129.06989	12.2
131.08559	22.9
131.50897	3.3
133.10132	23.3
135.11659	15.0
143.08549	12.4
145.10141	18.1
147.11691	12.0
149.13293	4.6
155.08557	8.5
157.10147	14.3
159.11719	11.7
161.13271	16.4
169.10115	8.4
171.11681	13.4
173.13237	15.8
175.14833	5.4
181.10069	3.2
183.11711	7.0
185.13300	11.4
187.14883	7.0
195.11589	3.1
197.13252	5.2
199.14838	10.2
201.16487	4.1
209.13322	3.4
211.14679	4.7
213.16444	4.2
215.17941	5.9
225.16360	2.9
241.19518	8.7
259.20526	15.9
282.87112	2.8
333.24319	7.2
335.25836	9.8
353.28580	2.9
519.41705	9.0
537.42859	5.6
593.45618	4.6
611.46649	100.0
617.83240	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	611.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42447	1.7
51.02360	1.8
53.03942	4.2
55.01865	2.2
55.05508	24.4
57.03429	7.6
57.07067	5.7
65.03931	3.0
67.05502	58.0
69.07076	18.1
71.04972	2.0
71.19475	2.1
71.19822	2.9
79.05492	38.2
81.07053	58.3
83.08620	10.1
85.06526	3.8
91.05472	38.0
91.06012	2.8
93.07042	45.4
95.04980	5.0
95.08603	41.5
97.06524	2.7
97.10197	4.0
99.08072	2.7
105.07030	35.5
105.07687	2.9
107.08594	26.4
109.06551	4.3
109.10150	19.5
115.05472	2.1
117.06997	15.1
119.08579	33.3
121.10123	20.0
123.08060	3.2
123.11720	7.4
128.06253	2.0
129.07019	15.5
131.08565	26.9
133.10123	28.1
135.11674	12.7
137.09689	1.9
141.06993	2.7
142.07813	3.1
143.08543	15.3
145.10117	25.9
147.11691	19.0
149.09552	1.9
149.13271	7.5
154.07637	2.1
155.08568	6.4
156.09395	2.8
157.10126	13.5
159.11688	23.1
161.13248	18.1
163.14778	4.1
167.08546	2.1
169.10175	7.9
171.11688	17.7
173.13252	13.8
175.14844	7.7
177.16415	2.3
181.10052	4.3
183.11693	6.6
185.13206	10.4
187.14871	6.3
189.16403	2.6
192.59346	1.7
195.11734	3.4
197.13309	7.5
199.14894	6.7
201.16463	3.4
209.13307	2.2
211.14827	4.5
213.16478	4.4
215.17944	3.0
225.16473	2.8
227.18030	2.8
229.19580	2.2
239.17999	3.3
241.19633	10.3
243.21019	3.4
257.18939	4.3
259.20575	17.8
261.22214	4.7
279.18011	2.0
333.24008	9.9
335.25775	19.2
337.27573	2.3
357.28125	2.1
501.35260	3.2
519.42108	8.8
537.43353	2.9
541.39075	2.4
550.38983	2.6
565.88715	1.8
593.45587	10.1
611.46643	100.0
612.47156	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	611.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
53.47373	1.7
55.00389	2.1
55.05510	17.5
57.03424	6.1
57.07069	5.7
67.05174	3.6
67.05501	44.2
69.07061	16.7
69.51686	5.8
69.52106	12.2
71.04983	3.2
71.25233	2.6
75.38939	2.1
79.05489	30.8
80.05728	2.5
81.07053	53.4
83.08614	8.6
85.06538	3.2
91.05480	32.9
93.07042	38.9
95.04968	4.1
95.08599	34.1
97.06517	2.5
97.10159	3.2
99.08108	2.3
105.07010	28.5
105.07673	2.4
107.08572	17.4
109.09505	3.0
109.10117	16.3
115.53989	2.0
117.07024	14.6
119.08576	27.7
121.10147	17.2
123.11694	8.2
129.07021	10.4
131.08569	25.7
133.10123	16.8
135.11702	13.9
141.06998	3.4
142.07661	2.4
143.08546	13.0
145.10109	25.4
147.11668	16.7
149.13274	6.2
155.08585	6.6
157.10086	13.0
159.11711	17.6
161.13293	12.3
168.09460	2.1
169.10092	5.8
171.11711	9.7
173.13252	11.3
175.14842	3.8
181.10228	4.8
183.11665	8.5
185.13353	10.0
187.14780	5.1
195.11754	3.6
197.13266	3.8
199.14830	6.5
201.16447	3.8
211.14714	5.9
213.16393	4.4
215.18097	2.6
225.16451	3.2
241.19579	8.5
257.19016	5.3
259.20636	16.2
277.21692	2.4
315.23248	2.6
329.43610	2.2
333.24252	6.7
335.25806	11.1
381.30817	2.5
519.41791	7.7
537.43323	4.5
593.45526	8.0
611.46582	100.0
612.46844	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.8
54.66227	1.8
55.01875	3.6
55.05509	18.1
57.03430	8.6
57.07072	2.0
58.02302	1.9
58.26561	1.7
67.05502	45.8
69.03408	2.1
69.07073	12.4
71.04993	2.6
71.58488	2.4
71.58845	2.2
75.04481	2.1
79.05492	38.2
81.03413	6.2
81.07055	44.1
83.04978	3.0
83.08620	8.6
91.05463	28.4
93.07038	30.6
94.38961	2.0
95.01330	27.1
95.04960	13.3
95.08604	27.3
97.06546	2.5
97.10195	7.1
105.07020	18.2
107.04946	6.3
107.08598	17.1
109.06547	3.0
109.10146	12.0
115.05439	5.0
117.06999	12.3
119.04961	4.2
119.08559	11.3
121.06483	4.4
121.10133	13.5
123.04389	3.0
124.56660	2.2
125.09660	3.8
128.06187	2.6
129.06984	7.7
131.04973	3.0
131.08562	12.4
133.06494	4.0
133.10146	6.4
135.04375	2.7
135.08075	2.5
135.11679	5.9
143.08594	2.9
145.06503	5.0
145.10124	8.7
147.04407	100.0
147.08095	3.0
147.11601	3.7
149.05992	2.3
149.13271	2.8
151.11192	2.4
155.08591	2.4
157.06517	3.3
157.10164	2.4
159.11676	5.1
161.05988	7.5
161.13269	2.8
163.11211	2.6
169.10077	3.2
171.04482	2.1
171.08092	3.5
171.11732	3.3
173.06006	2.9
173.13251	3.8
175.07492	1.9
181.10153	3.1
197.09564	2.6
198.75626	1.9
223.11249	3.5
227.12804	2.2
259.13300	85.1
261.22147	4.6
262.78934	2.1
277.14340	4.6
289.14352	7.4
297.14871	3.1
315.15933	5.2
333.16919	21.0
335.25781	28.0
587.17267	2.1
593.38037	5.7
611.38293	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	611.1603
Annotation	Cyanin
Peak:m/z	Relative Intensity
53.03946	0.2
55.01874	0.3
56.30688	0.2
57.03434	0.4
60.92290	0.2
61.02915	0.7
65.59460	0.2
68.99765	0.4
69.03436	2.0
69.68122	0.3
69.68525	0.9
71.04997	0.2
73.02938	0.2
76.89758	0.2
81.03428	1.1
85.02907	5.0
87.04462	0.2
91.03928	0.4
93.46362	0.2
97.02904	1.8
99.04408	0.3
105.03352	0.3
107.04938	0.4
109.02868	0.6
111.00789	0.6
112.10042	0.2
121.02872	2.3
127.03907	1.1
133.02879	0.4
137.02333	0.8
145.04953	0.7
145.06444	0.2
147.04417	0.5
153.01839	3.5
157.06491	0.3
165.01849	1.3
172.10655	0.2
179.49605	0.2
183.02933	0.8
185.05966	0.4
213.05530	1.1
231.06557	0.7
241.04922	0.7
258.05228	0.6
259.05869	0.4
287.05496	100.0
288.05759	1.8
303.05130	0.3
380.43320	0.2
435.18793	0.2
449.10800	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1601
Annotation	Rutine
Peak:m/z	Relative Intensity
55.11039	0.7
57.03431	2.2
59.75287	0.8
62.54081	0.7
70.25289	0.7
71.02836	1.9
71.04991	13.7
71.72070	0.8
73.63004	0.7
74.81483	0.7
75.04463	1.1
85.02436	1.0
85.02908	17.0
97.02890	2.4
97.74155	0.8
99.54668	0.8
117.92729	0.8
121.02897	1.2
127.03934	1.2
129.05472	3.5
137.02368	2.8
145.04912	1.2
150.85760	0.9
153.01817	3.3
165.01755	1.5
173.05943	1.0
201.05472	1.1
211.62032	0.7
229.04947	3.5
247.06287	0.9
257.04553	2.4
285.03998	0.8
303.04984	100.0
304.05374	1.7
402.37888	0.7
414.89801	0.9
414.96432	0.8
500.20068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1392
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
53.64086	0.9
55.05503	1.0
57.03429	0.7
67.05489	0.9
69.03435	1.7
70.93024	2.1
79.05495	2.6
81.03419	2.4
81.07037	0.8
85.02911	1.8
89.03923	3.9
91.05464	1.5
93.07069	1.3
95.04973	1.4
95.08615	1.4
105.07023	0.9
107.04941	2.6
109.02897	1.2
111.04477	0.9
117.03382	8.0
121.02863	3.0
127.03901	1.3
135.04404	17.3
137.02275	1.0
137.05983	2.2
145.02834	11.9
147.04414	2.0
151.07530	1.1
153.01839	6.3
163.03899	100.0
165.01891	1.4
167.07048	1.2
177.05501	1.0
213.05600	1.3
225.09068	1.0
241.04790	1.0
271.20270	0.7
287.05484	70.2
288.05899	1.5
299.05527	3.0
303.04883	2.4
325.09241	3.5
449.10849	1.2
479.10156	0.8
611.24872	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1389
Annotation	56343-26-1
Peak:m/z	Relative Intensity
53.03933	0.9
55.01878	0.6
55.05496	0.7
55.27631	0.4
65.03929	1.7
67.05482	0.7
68.99790	0.5
69.03424	1.1
69.07053	1.0
70.83917	1.3
79.05475	0.8
81.03400	1.6
81.07030	1.4
85.02885	2.1
86.40674	0.6
91.05462	13.4
93.07046	1.0
95.04937	1.0
95.08622	0.9
97.02889	1.2
97.06506	0.5
98.20804	0.5
105.03413	0.5
105.07005	1.1
107.04965	1.4
107.08625	0.6
109.02882	1.1
109.10175	0.9
111.00776	0.7
111.04421	0.8
115.67458	0.6
117.07014	0.5
119.04932	29.9
119.08577	0.8
121.02835	0.7
121.06493	0.8
121.10130	0.9
127.03867	1.2
131.04921	0.8
133.10091	0.7
135.04384	1.2
137.02315	2.4
137.05949	3.2
145.06398	0.8
147.04395	100.0
148.04808	0.5
151.03911	0.6
151.07547	0.6
153.01826	6.5
161.06000	1.0
161.52716	0.5
163.03867	2.0
165.01834	1.8
167.06984	1.6
173.05963	0.7
174.71552	0.5
177.05396	0.7
179.03394	0.6
181.04938	1.7
183.02931	0.5
187.03961	0.7
189.05211	0.6
201.05493	1.8
208.63509	0.6
229.04938	3.6
248.65939	0.5
257.04376	2.2
285.03931	1.0
287.05487	2.6
291.08618	0.9
303.04965	63.8
304.05267	0.8
343.04312	0.6
421.08997	3.3
449.08521	2.0
458.17657	0.5
516.59943	0.6
533.81958	0.6
611.24152	1.9
611.33459	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1392
Annotation	56343-26-1
Peak:m/z	Relative Intensity
53.03936	0.7
53.48560	0.5
63.02386	0.5
65.03931	1.0
69.03418	2.1
69.53941	4.5
73.94725	0.5
79.05495	1.5
81.03415	5.5
85.02896	1.3
89.03905	6.2
91.05476	10.8
95.04954	0.7
97.02899	0.9
99.04459	0.6
107.04942	1.3
109.02870	2.2
117.03365	5.8
119.04941	25.0
121.02836	1.2
127.03881	1.4
135.04413	15.0
137.02310	0.8
142.65364	0.5
145.02850	10.5
147.04405	100.0
148.04721	0.7
153.01805	2.5
158.72018	0.5
163.03903	79.7
165.01822	1.0
165.05452	3.6
176.83636	0.5
181.04922	2.1
183.03018	0.8
192.86935	0.6
213.05508	0.8
229.05043	0.9
231.06693	0.6
235.54321	0.5
258.05225	0.6
274.37366	0.5
287.05496	25.5
289.82666	0.6
291.08511	4.9
297.75687	0.5
303.04990	17.7
307.08182	4.4
309.09787	1.5
325.09201	1.6
402.84140	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01853	2.0
55.05508	17.5
57.03423	4.8
57.07061	3.0
67.05499	28.6
69.03436	1.1
69.07066	16.6
71.04983	1.6
71.08624	1.5
78.19055	0.9
79.05487	22.4
81.07054	29.9
81.20711	1.0
83.04989	1.5
83.08622	8.6
85.06551	1.5
91.05463	18.0
93.07034	20.9
95.04955	2.8
95.07986	1.3
95.08603	26.5
97.06516	3.5
97.10170	4.2
105.06348	0.8
105.07022	21.6
107.08579	14.6
109.06493	1.4
109.10148	10.5
111.08054	1.5
111.11715	1.3
113.63687	1.0
115.05465	2.1
117.07008	12.3
119.08567	16.4
121.10123	10.6
123.08066	2.2
123.11700	3.6
125.09629	2.3
128.06219	4.6
129.06996	12.5
130.07698	1.5
131.08563	16.0
133.10121	12.8
135.11711	4.9
141.06987	8.9
142.07759	4.8
143.08543	16.6
145.10109	19.8
147.11696	8.6
149.09596	1.2
149.13278	2.8
153.06984	1.9
154.07878	1.6
155.08540	17.0
156.09335	1.6
157.10104	17.3
159.11694	13.2
161.13258	3.6
163.14841	1.5
165.07007	1.9
166.07788	1.2
167.08549	7.5
168.09372	2.5
169.10110	22.9
170.10873	1.1
171.11678	16.6
173.13245	8.9
175.11304	1.0
175.14900	2.8
179.08569	3.7
180.09285	1.6
181.10078	12.3
183.11678	18.6
185.09723	1.1
185.13239	13.5
187.14784	4.3
189.16411	1.5
191.08470	1.4
193.10139	4.4
194.10896	1.4
195.11688	12.6
197.13226	16.8
199.14828	9.2
201.16434	2.7
205.10153	1.6
207.11670	3.9
209.13266	9.6
211.14812	10.5
213.16409	5.5
215.18060	1.4
219.11780	1.8
221.13312	4.2
222.14075	1.0
223.14803	8.5
225.16353	6.2
227.18083	4.9
229.19566	1.4
235.14835	3.9
237.16310	6.1
239.18007	4.6
240.80394	1.1
241.19672	2.2
247.14874	1.7
249.16576	2.3
251.18033	3.3
253.19713	2.1
263.17996	2.3
265.19595	2.8
265.63718	1.0
269.18900	1.8
271.16980	1.1
275.20172	1.3
279.20926	1.9
283.20590	1.6
307.20642	1.7
309.22278	2.2
311.19727	1.5
313.21539	1.1
323.23550	2.6
327.23022	1.2
335.23526	2.5
337.25223	2.0
339.23199	1.5
349.25415	1.6
351.27036	3.2
363.26535	1.2
365.28473	2.3
379.25998	1.3
391.29907	1.9
391.86011	1.1
393.31830	2.1
403.29745	1.2
405.31757	1.6
409.30777	1.6
447.32654	2.4
449.34247	1.7
455.35211	1.3
461.34164	1.6
475.35892	2.0
499.39465	2.4
511.38126	1.4
517.40405	18.8
535.41553	10.8
539.37189	1.2
541.38342	1.1
553.42194	1.8
565.42432	1.5
573.42883	3.5
591.43994	18.4
591.52777	1.7
609.45081	100.0
610.45313	2.9
613.22723	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.01864	5.2
55.05511	7.2
57.03435	2.9
61.02918	2.9
67.05490	4.8
69.03422	10.3
69.07058	16.8
70.06584	3.8
70.46317	11.5
71.04985	6.3
75.56464	2.8
79.05496	20.0
81.03399	5.9
81.07070	15.1
83.04974	22.4
85.02897	16.1
85.06568	3.6
90.44681	3.3
91.05433	16.4
93.07017	14.7
95.04958	12.5
95.08591	3.5
97.02859	8.3
97.06528	44.4
99.04454	20.5
105.07029	31.2
107.04933	11.2
107.08585	22.3
109.02885	5.6
109.06510	13.2
110.36667	2.8
117.07006	9.1
119.04941	15.0
119.08575	8.8
121.06500	24.5
125.05997	35.9
127.03899	6.1
128.06239	3.3
129.07013	4.6
130.07779	4.8
131.08556	13.6
133.06500	8.4
133.10133	7.1
135.08047	4.7
135.11668	4.3
137.05940	7.2
139.07475	3.6
142.07751	3.4
143.07018	53.3
143.08536	7.1
145.06528	7.7
145.10114	82.7
145.84842	2.9
147.04454	4.0
147.11624	4.9
149.05896	4.8
151.07610	4.1
153.01826	11.9
154.07759	4.6
155.08498	2.9
157.08607	5.0
158.07207	5.4
159.08035	5.8
159.11659	24.4
161.09547	3.4
163.03947	3.3
163.11169	100.0
169.10130	10.7
173.09628	48.8
175.07442	3.3
177.12802	3.2
187.11169	52.9
189.12814	3.2
191.10625	23.9
197.09604	6.3
199.22546	2.9
205.12216	67.5
206.62704	2.9
209.11745	4.1
215.10661	62.4
233.11716	99.0
250.96764	3.1
251.12794	62.2
262.24503	2.8
269.13791	43.5
287.05496	9.2
303.04910	7.1
327.08817	3.1
355.06946	3.5
360.94595	2.9
377.15924	3.7
395.16928	9.5
582.35968	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	609.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08363	10.1
55.05497	26.7
60.70699	11.3
65.35158	11.2
67.05511	75.3
69.07063	32.8
69.31064	99.8
69.31482	25.9
79.05492	100.0
81.07047	63.7
91.05467	67.1
93.07026	78.9
95.01340	15.2
95.04958	23.3
95.08602	43.4
97.06516	19.0
105.07024	67.1
107.04946	24.5
107.08590	41.1
108.41155	10.4
109.10136	21.0
117.07003	30.2
119.08537	42.3
131.08574	25.7
133.10118	35.4
135.11703	13.0
145.10117	17.0
158.23758	11.1
159.11636	20.9
159.86795	12.8
163.91499	10.0
179.14343	13.1
196.79944	11.3
203.74565	10.9
219.17439	17.5
275.20053	75.5
326.79709	10.4
609.44769	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	609.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01859	2.7
55.05508	17.1
57.03424	3.8
57.07066	1.7
65.03906	1.8
67.05501	26.1
69.07062	12.4
70.17734	2.3
70.18143	1.5
79.05486	20.8
81.07053	23.2
83.04986	1.4
83.08608	6.8
85.06557	1.7
91.05473	17.2
93.07035	19.3
95.04967	3.5
95.08602	25.6
96.82371	0.8
97.06536	2.8
97.10171	4.5
99.08072	1.4
105.07022	17.4
107.04953	3.3
107.08580	12.8
109.06506	1.4
109.10151	10.7
115.05473	1.1
117.07005	10.1
119.08584	15.2
119.09377	1.6
121.06513	2.3
121.10135	8.4
123.08061	1.9
123.11697	2.9
125.09676	2.3
125.32620	0.8
128.06226	3.5
129.07008	13.4
130.07755	1.6
131.08560	15.3
133.10110	12.7
135.11708	5.5
141.06996	6.9
142.07768	3.4
143.08557	17.3
145.10109	15.3
147.11703	7.7
149.09648	1.9
149.13271	3.6
153.07063	1.1
154.07782	2.8
155.08539	12.9
156.09367	2.3
157.10120	15.8
159.11693	12.8
161.13283	2.9
165.07043	2.3
166.07823	1.6
167.08582	6.3
168.09343	1.7
169.10112	17.8
170.10835	1.0
171.11674	14.7
173.13252	5.4
175.14851	2.0
177.16345	0.8
179.08557	2.7
180.09344	1.3
181.10098	10.5
182.10878	2.0
183.11676	16.0
185.13275	11.1
187.14842	3.3
189.16434	1.6
193.10181	3.7
194.37370	0.9
195.11678	10.5
197.13264	13.9
199.14816	7.3
201.16394	2.6
207.11671	2.9
209.13242	8.1
211.14833	8.7
213.16460	4.7
215.17940	1.1
219.11658	1.7
221.13298	3.3
223.14818	6.1
225.16283	7.2
227.18034	3.7
235.14813	2.4
237.16402	4.9
239.18015	4.2
241.19582	2.8
249.16487	1.9
251.17955	4.3
253.19681	2.2
257.19138	2.0
263.17746	1.0
265.19565	2.1
267.21143	1.1
269.18872	1.0
271.16995	0.9
275.20099	1.7
276.27823	0.9
279.21295	1.5
291.20990	1.1
293.22665	1.3
295.20471	1.3
304.77328	0.9
313.21661	1.2
321.22083	1.4
323.23666	1.9
327.23300	1.7
337.25256	2.1
341.24777	1.1
349.25302	1.7
351.26877	3.2
355.26523	1.1
365.28458	2.2
377.28311	1.4
379.30167	1.6
391.30200	1.9
393.31821	1.1
395.29443	1.2
405.31552	1.4
409.31168	1.3
433.30972	1.1
435.32288	1.0
447.32520	2.5
448.22159	0.9
473.33664	1.0
475.34558	1.0
499.39185	2.3
501.35843	1.2
509.36282	1.3
517.40381	16.6
525.35638	1.2
535.41516	9.5
539.37323	1.8
553.42859	1.1
573.42975	2.9
591.44073	17.1
609.45081	100.0
610.45410	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	609.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.4
53.03948	11.2
55.01857	7.1
55.05507	32.0
57.03424	10.9
57.07064	3.1
65.03916	4.2
67.05502	75.5
69.03429	18.2
69.07069	13.2
69.41129	14.7
69.41556	7.9
71.01340	5.5
71.04978	10.7
79.05492	59.6
81.03413	100.0
81.06589	3.2
81.07052	52.6
83.04974	25.6
83.08612	19.1
85.02889	16.1
85.06537	5.2
91.05473	43.6
93.06470	4.1
93.07038	58.7
95.04971	30.9
95.08585	19.8
97.02883	19.3
97.06541	13.9
97.10173	11.6
99.04441	8.4
105.07024	27.9
106.07346	2.7
107.04937	7.9
107.08593	33.6
109.02870	19.1
109.06510	9.2
109.10122	15.1
111.04415	16.1
111.08080	10.4
115.05397	2.7
117.07005	10.1
119.08593	27.1
121.06480	5.1
121.10133	13.3
123.04398	2.8
123.08012	3.9
123.11665	2.5
125.09595	5.6
127.03896	10.7
129.07004	10.3
131.08548	15.6
133.06505	3.5
133.10155	14.7
135.08087	3.0
135.11693	37.8
142.07742	3.1
143.08656	2.7
145.10124	13.6
147.08066	4.2
147.11713	13.9
149.09605	6.4
149.13254	3.8
153.12650	4.0
157.10110	12.0
159.11641	3.7
163.11168	13.9
165.12770	5.5
175.11188	11.2
181.12196	15.7
182.65900	2.7
191.10738	4.3
193.12265	29.1
209.11601	3.0
211.13287	49.6
227.12773	8.7
229.14323	3.0
255.15819	11.8
267.15997	7.4
275.20239	2.4
337.16507	3.2
355.17435	8.3
373.23770	3.3
381.18982	2.6
404.55228	3.0
411.20148	5.6
421.25613	2.8
439.26801	4.2
447.27371	6.5
465.28772	11.3
591.31769	6.8
609.32672	64.3
631.09167	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.1
54.91186	2.4
55.01880	18.2
55.05506	33.4
56.35479	3.0
57.03428	15.6
57.07071	5.2
59.04984	6.4
62.42984	3.0
67.05503	100.0
68.05824	3.7
69.03432	9.7
69.07062	23.4
70.20764	13.1
71.04973	11.2
79.05499	42.3
79.56145	2.6
81.03418	65.7
81.07058	59.9
83.04970	17.8
83.08614	28.6
85.02906	31.9
85.06517	5.8
91.05473	46.6
93.07040	33.8
95.04966	26.3
95.08594	21.5
97.02885	5.1
97.06522	12.5
97.10180	7.1
105.07026	32.2
107.04951	8.2
107.08595	18.5
109.06517	7.2
109.10148	55.0
111.08075	11.7
113.05991	3.1
115.05472	2.8
117.07027	5.5
119.08588	23.9
121.10153	16.9
123.08088	6.0
125.09616	6.1
129.06990	12.0
131.08575	16.1
133.06546	5.5
133.10132	17.5
135.08009	3.6
135.11691	4.4
143.08574	3.8
145.10121	9.9
147.08122	5.7
147.11720	18.9
149.09615	9.0
149.13223	4.7
151.11194	3.0
157.10138	11.0
159.11673	5.3
171.06532	5.1
173.11755	11.6
175.11218	13.3
181.12277	3.6
193.12210	42.9
211.13275	44.0
211.59451	3.0
227.12834	4.1
227.95370	3.0
267.15869	5.9
273.18335	4.9
285.16998	6.6
291.19534	6.4
339.18106	7.0
348.02927	2.9
365.23145	3.5
393.36417	3.0
421.00446	3.0
439.21140	6.0
439.26923	84.3
467.29987	5.7
609.36554	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	609.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29115	2.5
52.76439	2.4
53.03935	11.1
53.66106	2.3
55.01857	12.1
55.05515	23.6
57.03441	16.8
67.05501	63.3
69.03436	16.9
69.07062	16.6
69.42738	2.4
69.43766	21.5
71.01341	3.6
71.04986	8.6
79.05491	55.1
80.31982	2.9
81.03417	100.0
81.07048	43.3
83.04980	22.7
83.08617	19.6
85.02910	20.0
85.06547	5.7
86.66306	2.2
91.05478	39.8
93.07043	48.7
94.77873	2.9
95.04965	27.7
95.08600	13.9
97.02898	19.5
97.06520	14.4
97.10165	10.3
99.04467	5.8
99.08085	3.9
105.07029	25.6
107.04933	10.2
107.08585	28.1
109.02883	16.8
109.06518	5.8
109.10188	13.1
111.04438	14.5
111.08056	10.1
117.07011	11.2
119.04975	3.3
119.08557	18.1
119.19485	2.1
121.06479	6.5
121.10164	14.1
123.08011	2.8
125.09631	4.9
127.03901	13.7
129.07001	10.7
131.08594	13.5
133.06502	6.1
133.09247	2.5
133.10103	14.0
135.08020	3.5
135.11685	38.5
137.05963	3.1
137.09540	3.7
145.06500	3.6
145.10088	14.0
147.08040	3.7
147.11688	11.1
151.11238	4.2
151.25073	2.6
153.12712	5.6
157.10123	10.2
163.11186	10.9
165.12720	4.7
175.11142	8.8
181.12241	15.5
189.11217	3.2
191.10735	7.5
193.12221	38.9
196.08493	2.5
211.13300	56.6
227.12817	9.2
228.48953	2.6
255.15935	11.3
267.16019	6.1
283.15332	3.0
319.15704	2.7
337.16315	4.5
355.17508	11.7
411.19989	5.8
419.27963	2.7
429.26089	3.4
447.27341	13.1
465.28464	14.6
591.31683	4.9
609.32635	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.7
53.03953	10.0
55.01861	3.4
55.05511	25.1
57.03429	6.6
59.05001	1.7
60.35486	1.9
60.55542	1.9
62.19707	1.7
63.59896	1.8
65.03949	3.7
65.42309	1.6
67.05505	72.7
67.65228	1.7
69.03425	15.4
69.07069	23.1
71.04997	8.4
71.30453	1.9
78.82891	1.7
79.05492	56.1
81.03416	66.9
81.07056	100.0
83.04979	16.8
83.08615	14.6
85.02921	6.0
85.06551	5.8
91.05476	43.4
93.07040	68.6
95.04958	17.0
95.08613	26.2
97.02903	10.1
97.06536	14.4
97.10178	2.6
98.20802	5.2
99.04446	6.1
105.07018	25.6
107.04969	4.0
107.08589	32.2
109.02883	11.3
109.06525	5.4
109.10145	7.5
111.04457	7.8
111.08104	7.0
113.09631	2.3
117.07028	16.0
119.08591	11.4
120.27824	1.8
121.06534	5.7
121.10139	20.8
123.08095	2.0
123.11723	4.6
127.03930	7.8
129.07013	4.9
131.04895	2.0
131.08565	16.6
133.06500	3.4
133.10126	12.6
135.08037	4.0
135.11719	11.9
136.06149	2.9
139.11215	2.5
143.08623	2.9
145.10124	4.7
147.08051	2.9
147.11696	12.8
149.09608	1.9
149.13258	26.6
151.11194	3.0
153.44568	1.7
155.08530	3.0
157.10161	3.2
159.11687	13.8
163.11285	2.3
165.12778	6.8
169.10320	2.2
173.13356	2.2
177.12776	7.2
183.06592	2.9
192.31165	1.9
195.13847	17.8
198.34053	1.9
213.14827	4.9
239.14372	2.4
266.83966	1.9
267.16129	3.0
269.17453	12.6
297.16827	2.1
303.15897	2.0
321.17114	4.7
339.17926	12.8
395.20514	9.6
463.30670	9.8
484.08344	2.2
589.33289	2.4
607.34808	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	3.0
53.03947	11.8
55.01871	7.4
55.05261	2.5
55.05515	28.0
57.03437	9.0
57.07072	3.9
59.99132	1.7
61.02913	2.7
62.94566	2.2
63.77779	1.8
65.03931	6.4
67.05503	72.1
69.03432	17.4
69.07063	23.0
69.29632	3.1
69.29981	21.8
71.04994	10.2
79.05491	45.4
81.03067	1.6
81.03418	72.1
81.07057	100.0
83.04977	17.3
83.08620	19.4
85.02888	9.2
85.06545	5.1
91.05478	46.1
93.07041	62.9
95.04977	13.9
95.08606	26.8
97.02869	11.6
97.06525	14.5
97.10165	2.9
99.04459	5.8
99.08107	4.2
101.43404	2.1
105.04520	1.9
105.07030	26.7
107.04962	6.6
107.08593	36.6
109.02859	13.9
109.06518	7.5
109.10183	7.1
111.04465	8.9
111.08098	9.0
113.05994	1.9
114.83396	1.7
115.05479	2.7
117.07012	12.7
117.37579	2.5
119.08589	15.5
121.06530	8.1
121.10128	17.7
123.08049	4.3
123.11758	6.8
125.09678	1.9
127.03938	12.3
128.58173	1.7
129.07039	5.4
130.07785	1.9
131.04947	3.5
131.08560	17.5
133.06532	4.9
133.10118	15.1
135.08070	5.6
135.11717	12.2
137.06024	2.4
143.08569	2.5
145.06566	2.4
145.10153	6.8
147.08128	2.2
147.11702	15.6
148.62988	1.9
149.09624	4.0
149.13264	26.7
151.11206	2.3
153.01828	2.5
155.08577	3.8
157.10167	5.8
159.11694	13.5
161.13257	2.7
163.11246	2.2
165.12788	5.3
170.93442	1.8
171.07948	2.0
171.11687	3.4
172.05296	1.8
173.04549	2.4
173.13309	2.8
173.73662	1.7
175.11186	3.3
177.12790	11.2
183.06483	4.5
183.11710	4.1
184.07373	5.2
193.12384	2.6
195.13815	18.5
213.14851	4.4
233.45909	1.9
267.16113	4.3
269.17490	10.4
285.17191	2.6
303.16006	2.1
321.17059	6.1
339.18027	13.5
377.19833	2.7
395.20667	7.7
445.29288	5.9
463.30563	10.7
589.33630	5.0
607.34717	91.9
639.51782	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	11.4
55.01864	5.9
55.05513	24.4
56.82256	1.8
57.03431	7.9
57.07061	2.1
65.03926	3.3
67.05503	76.4
69.03427	16.2
69.07066	20.9
69.24920	5.6
69.25340	17.2
71.04989	8.1
79.05492	52.7
81.02927	3.3
81.03416	73.8
81.07056	100.0
83.04989	19.2
83.08620	15.5
85.02904	7.6
85.06519	4.4
91.05483	40.4
91.06021	3.5
93.07039	61.9
95.04965	15.4
95.08608	26.2
97.02885	9.7
97.06509	13.1
97.10168	4.5
99.04453	5.4
99.08102	3.6
105.07031	23.7
107.04950	6.6
107.08602	34.1
109.02876	14.6
109.06510	6.0
109.10162	8.1
111.04432	10.5
111.08069	7.2
113.09575	1.8
117.07031	13.2
119.08590	14.5
121.06527	5.0
121.10142	17.5
123.04450	2.1
123.08096	2.9
123.11726	6.5
125.09644	2.8
127.03932	8.4
129.06990	4.1
131.08577	13.9
133.10110	14.5
135.08063	4.0
135.11700	11.5
139.11232	2.5
143.08612	3.4
145.10120	3.5
147.08051	2.3
147.11699	11.1
149.09622	2.5
149.13235	25.3
151.11197	2.1
155.08568	2.6
157.10162	4.0
159.11688	17.1
163.11162	2.1
165.12772	4.3
169.10208	1.9
173.04492	3.9
173.09702	2.2
177.12807	7.3
195.13811	19.3
213.14915	6.7
229.14249	2.0
230.24847	2.0
231.46233	2.1
267.15875	5.7
269.17508	10.5
297.17062	2.7
316.32776	1.9
321.17029	4.5
339.17966	15.6
377.19870	3.6
395.20541	15.0
445.29431	3.2
463.30527	10.5
571.32391	2.1
589.33667	2.1
607.34790	82.6
608.35529	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75227	2.0
51.02368	2.5
53.03947	10.3
55.01870	9.3
55.05508	29.1
57.03431	9.0
57.07069	2.2
60.70532	1.7
61.27851	1.9
64.35036	2.1
65.03947	5.1
67.05506	76.3
69.03445	18.4
69.07072	22.8
69.32025	15.1
69.32430	5.1
71.04991	9.7
79.05492	52.5
81.03417	67.6
81.07056	100.0
83.04966	22.6
83.08614	15.0
85.02900	5.6
85.06527	6.9
88.96785	1.8
91.05485	47.9
93.07044	64.9
94.05489	1.8
95.04955	16.7
95.08615	28.3
96.27650	2.0
97.02880	14.5
97.06516	12.7
97.07066	2.0
97.10162	4.9
98.21512	4.3
99.04469	8.6
99.08125	3.2
101.43437	2.2
103.05434	3.0
105.07030	26.8
105.07674	2.6
107.04961	7.5
107.08599	39.2
109.02891	12.1
109.06518	8.0
109.10146	7.6
111.04435	10.0
111.08096	8.3
115.05452	2.8
117.07024	13.5
119.08595	14.9
121.06512	6.4
121.10141	22.7
123.08083	2.9
123.11743	6.9
125.09686	2.2
127.03924	12.3
127.06343	1.9
129.07033	5.1
131.08569	16.6
133.06529	4.0
133.10118	14.1
135.08049	4.7
135.11641	13.1
137.09595	3.0
139.11215	2.4
143.08636	2.9
145.06538	3.1
145.10144	4.8
147.08119	3.1
147.11705	10.7
149.09584	4.1
149.13255	32.1
155.08597	4.5
159.11703	16.0
161.13263	3.2
165.12782	3.7
173.04376	3.7
175.11162	3.5
177.12804	10.0
183.11812	2.3
195.13834	20.2
202.66980	2.6
213.14871	3.3
219.13942	2.8
233.15442	2.9
252.28925	2.4
267.15967	4.1
269.17560	13.4
285.14816	2.3
303.16000	3.5
321.16992	3.7
339.18051	11.9
377.19931	2.9
395.20636	13.3
445.29755	6.0
463.30850	8.9
547.33722	2.1
589.33905	5.9
607.34796	81.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.291
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
51.77045	1.4
53.33089	1.4
71.49789	2.7
98.43632	1.7
102.19995	1.5
138.58295	1.6
157.88129	1.8
248.52470	1.5
291.25409	1.8
314.05630	1.7
403.19162	2.4
411.55814	1.8
417.20621	1.9
430.17834	1.8
431.18460	9.7
433.23962	14.0
445.19482	7.9
446.21027	4.9
447.21924	6.8
459.21970	7.3
460.22433	24.8
461.23386	32.1
462.23856	1.9
473.23459	7.5
474.24237	3.4
487.24905	5.5
492.01462	1.8
505.22366	5.2
519.28320	1.9
547.27069	79.3
548.27087	3.9
607.29102	100.0
608.29639	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	607.2903
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
71.08042	0.4
71.08369	0.7
85.93181	0.3
132.47552	0.4
173.51996	0.3
388.16846	0.5
389.17682	0.6
402.18387	0.7
403.19260	1.6
404.19824	0.4
405.20917	0.7
412.11755	0.5
415.19373	0.5
416.20206	0.6
417.16116	0.7
417.21417	2.2
418.21371	1.2
419.22098	1.9
421.29233	0.5
430.22421	0.5
431.18008	3.7
432.19559	0.9
433.24097	3.4
434.24496	0.9
445.19904	4.9
446.20401	2.0
447.21509	2.2
459.21408	2.3
460.22437	6.1
461.23288	5.0
473.23270	0.8
474.24512	0.6
477.22992	0.5
505.22525	1.2
506.26389	0.5
519.24109	0.4
519.27704	0.4
520.24329	0.5
533.25354	0.4
547.27032	10.4
548.27191	2.0
575.25989	0.4
579.29077	0.4
607.29071	100.0
608.29529	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	607.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.5
55.01871	5.5
55.05509	21.3
57.03436	7.8
57.41643	1.8
65.03933	4.2
67.05503	77.2
69.03426	16.3
69.07059	21.9
69.98298	11.4
71.04991	6.5
79.05487	53.3
81.03414	68.8
81.07050	100.0
83.04964	18.3
83.08606	16.8
85.02903	5.8
85.06542	5.2
89.40557	1.8
91.05475	44.3
93.07041	69.3
95.04978	17.8
95.08596	31.9
97.02893	11.1
97.06534	16.3
99.04473	5.6
99.08078	4.0
100.35872	2.0
105.07012	26.3
107.04919	2.6
107.08585	39.1
107.94102	2.3
108.05715	1.9
109.02889	9.3
109.06535	6.3
109.10152	5.6
110.58560	1.8
111.04431	10.0
111.08087	7.1
117.06994	17.9
119.08565	14.8
121.06535	5.0
121.10123	17.8
123.08092	3.0
123.11713	6.4
127.03926	9.2
129.07062	3.1
131.08574	14.0
133.06544	3.9
133.10081	13.5
135.08051	3.9
135.11681	8.7
136.06198	4.6
140.25233	2.1
143.08521	3.3
145.10135	2.9
147.08043	3.2
147.11716	15.3
149.09599	2.7
149.13254	32.0
155.08542	2.7
159.11734	16.7
165.12784	6.8
177.12695	11.6
193.12326	2.1
195.12091	3.1
195.13815	22.0
213.14738	3.8
249.54883	1.8
254.04880	2.1
267.15845	3.8
269.17444	9.6
303.16354	2.8
321.17078	4.3
339.17993	16.9
348.06705	2.0
377.19666	2.9
395.20557	10.5
451.97058	2.2
463.30579	10.7
533.30609	2.3
542.46265	2.2
589.34149	2.2
607.34753	82.9
607.44116	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2541
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
69.31577	5.8
69.31995	3.0
74.68528	0.7
97.38176	0.7
98.20789	1.6
120.90735	0.8
141.46083	0.7
154.77756	0.7
180.17993	0.8
222.81088	0.8
277.56393	0.9
375.16205	1.7
387.15332	0.9
388.16763	2.1
389.17621	2.5
390.18298	1.7
391.18997	1.2
403.19406	3.8
404.20090	0.9
405.20804	4.5
417.17084	3.2
417.21017	2.9
418.17429	1.0
419.22467	6.0
430.17529	1.1
431.18375	7.4
432.19223	1.5
433.20230	3.4
445.20239	6.0
446.20987	7.7
447.21793	7.8
448.22510	1.9
459.22324	1.2
461.19717	2.1
463.20889	1.3
473.19678	1.2
474.20514	5.8
475.20831	4.9
477.23077	1.1
487.21735	1.7
491.20718	3.5
501.23077	1.2
519.24097	15.4
520.24548	1.1
529.22308	0.9
547.23346	12.1
547.36169	0.9
548.24054	1.2
579.26111	5.0
607.25476	100.0
608.25665	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	607.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06224	0.7
53.03937	1.0
55.01883	1.9
55.05509	5.1
57.07095	0.8
65.03948	1.1
67.05169	1.1
67.05505	10.7
69.03431	1.5
69.07071	9.0
69.24098	3.8
69.24533	5.4
78.53258	0.7
79.05492	10.8
80.35420	0.8
81.03422	1.5
81.07053	10.2
83.04974	1.8
83.08623	1.5
83.92162	0.9
85.63044	0.8
89.36780	0.7
91.05481	16.3
93.07037	9.7
95.01339	3.4
95.04971	2.6
95.08606	7.9
97.06538	3.4
101.22353	0.8
103.13795	0.7
104.03599	0.7
105.07027	18.4
105.07684	1.4
107.04955	4.9
107.08598	3.5
109.06525	1.9
109.10142	2.4
114.98586	0.7
115.05437	0.9
117.07001	4.8
119.08581	9.6
121.06504	1.5
121.10166	3.0
128.06235	0.9
129.06996	2.4
131.08583	6.8
133.10127	10.3
135.11700	1.6
141.07013	0.8
143.08582	2.6
145.10107	5.0
147.11684	4.7
149.09636	2.0
149.13240	1.3
155.08588	1.7
156.22664	0.8
157.10170	3.0
159.11649	4.1
161.13254	1.3
163.11176	1.7
169.10202	1.5
171.11720	2.9
173.13260	1.6
179.14256	2.1
181.10153	1.3
183.11766	2.0
185.13214	1.8
197.13324	1.1
207.11801	0.9
237.16336	1.0
239.18178	0.9
241.19673	1.6
249.10487	0.8
257.18973	0.9
259.20679	2.0
275.20053	12.0
315.23270	2.6
349.23807	1.9
375.16135	2.0
387.15970	1.9
388.16949	2.8
389.17776	6.4
390.18466	2.4
391.19043	1.9
401.18057	1.0
402.18622	2.3
403.15405	1.1
403.19485	9.7
404.19882	2.8
405.20914	4.1
415.15189	1.3
416.15707	1.7
416.20721	1.4
417.17084	6.4
417.21085	4.7
418.21823	1.6
419.22427	10.7
420.22818	1.2
430.17456	1.7
431.18277	11.3
432.19492	3.5
433.20352	3.3
444.19565	1.3
445.20084	10.2
446.21054	10.1
447.21701	14.4
457.20041	0.8
459.18289	3.4
461.20245	1.0
463.25101	2.4
473.19186	1.0
473.24005	1.2
474.20471	15.6
475.21237	16.9
476.22162	1.5
483.34668	0.9
487.21756	4.1
488.21982	1.0
490.24033	2.4
491.20795	2.5
501.23135	1.8
505.22229	1.6
519.24133	15.2
529.22437	1.0
547.23419	91.0
548.23523	3.7
561.25110	1.9
579.26068	5.4
589.24567	1.9
607.25507	100.0
607.41681	12.4
608.26459	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	605.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	3.1
53.03941	16.2
55.01864	13.9
55.05514	41.5
55.90083	2.7
57.03435	15.7
59.69379	3.3
65.03938	6.9
67.05504	86.9
67.66454	2.4
69.03436	18.5
69.07074	29.5
71.01353	5.0
71.04984	12.7
79.05492	79.8
81.03419	98.8
81.07056	100.0
83.04973	22.7
83.08619	24.9
84.61497	3.0
85.02913	18.6
85.06554	3.9
91.05482	77.2
93.07040	70.0
95.04971	67.4
95.08616	40.0
97.02897	15.0
97.06519	13.5
97.10164	13.0
98.21535	5.5
99.04452	7.3
99.08089	3.1
103.05462	5.2
105.02300	2.8
105.07027	53.7
107.04954	28.2
107.08602	44.0
109.02910	29.1
109.06522	14.0
109.10171	7.5
111.04434	13.6
111.08064	6.4
115.05454	8.7
117.07001	25.2
119.04930	7.0
119.08590	37.0
121.02824	5.6
121.06496	21.4
121.10149	24.1
123.04405	15.3
123.08085	8.2
123.11708	8.1
125.02334	5.3
125.09630	12.5
127.03928	7.9
128.06236	7.6
129.06979	26.9
131.04915	16.5
131.08548	33.0
133.06502	11.4
133.10136	28.4
135.04387	3.7
135.08044	9.7
135.11676	12.6
137.05983	5.9
137.09572	4.1
141.06978	11.0
143.08572	11.9
145.06476	19.4
145.10127	16.2
147.04428	14.5
147.08035	9.7
147.11691	18.9
149.05989	8.9
149.09645	7.8
149.13252	16.6
151.11137	3.5
153.09099	4.1
155.08583	13.8
157.06525	7.5
157.10136	12.5
159.08061	7.2
159.11697	17.0
161.05948	9.3
161.09660	6.0
163.07483	4.1
163.11194	10.2
165.12744	7.0
167.08572	7.6
169.06541	3.8
169.10158	8.8
171.04478	3.2
171.08011	6.9
171.11691	8.0
173.04578	3.7
173.06001	9.5
173.09579	5.5
173.13252	3.5
175.11200	11.3
177.12762	5.8
183.08099	4.2
183.11705	7.0
185.06042	5.4
185.09610	4.4
185.13214	4.0
187.07578	6.8
189.05461	8.5
189.09003	3.5
189.11194	7.4
189.12767	7.2
191.06961	4.3
193.10561	4.0
193.12138	15.3
195.08147	4.0
195.11871	3.3
195.13828	12.2
199.07539	3.4
205.12169	5.1
207.13812	4.2
209.13257	6.4
211.13249	8.2
213.12785	5.3
223.13260	5.1
225.12827	4.7
227.12682	5.5
231.13705	4.7
235.13263	5.2
247.13257	3.2
249.14891	4.2
255.13750	9.3
257.15323	6.6
259.13297	4.5
267.15872	11.6
269.17538	16.4
273.14893	37.8
275.16437	3.8
283.13324	8.2
285.14612	5.7
289.14380	6.5
291.16010	4.4
301.14413	34.3
302.14725	3.3
303.15939	9.1
319.15344	17.8
321.17209	3.3
325.18060	4.2
337.16376	4.0
351.22980	3.8
375.17957	13.9
393.19104	8.9
395.20587	4.3
461.28754	5.3
467.28198	4.8
477.26093	5.6
479.29901	6.3
485.28751	5.9
495.27768	4.4
513.28223	7.5
523.30878	5.0
545.30737	6.5
551.30072	4.2
557.31128	5.7
569.31067	23.8
587.32300	36.7
605.33197	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	13.6
54.13495	3.1
55.01863	14.4
55.05505	40.5
57.03419	12.4
65.03925	6.2
65.16400	2.9
67.05502	87.7
69.03420	22.4
69.07057	26.5
71.04979	8.9
71.66490	3.2
79.05073	4.9
79.05492	80.0
81.03413	100.0
81.07050	97.9
83.04986	24.6
83.08614	27.4
85.02914	24.6
85.06529	7.5
91.05473	78.5
93.06486	4.4
93.07043	69.5
95.04962	57.2
95.08591	35.4
97.02895	21.4
97.03423	4.4
97.06515	13.4
97.10156	16.5
99.04440	6.2
103.05492	5.6
105.07024	52.6
107.04950	26.1
107.08591	37.7
109.02879	29.5
109.06503	13.5
109.10142	13.9
111.04436	12.9
111.08060	13.5
115.05442	9.2
117.07005	23.2
119.04910	8.1
119.08578	37.9
121.02835	4.3
121.06493	23.3
121.10128	23.6
123.04441	12.2
123.08087	8.3
123.11710	8.2
125.02396	3.8
125.09608	9.9
127.03907	12.8
128.06215	6.7
129.06992	20.7
131.04904	14.4
131.08568	32.9
133.06477	14.7
133.10114	21.3
135.08055	8.8
135.11682	9.7
137.05945	7.0
141.07018	4.3
142.07765	5.7
143.08524	13.6
145.06532	16.3
145.10083	18.2
147.04382	9.3
147.08058	9.5
147.11722	20.4
149.05925	10.8
149.09615	9.7
149.13225	10.2
151.11194	4.9
155.08534	10.3
157.06468	5.5
157.10168	15.3
159.08063	7.4
159.11685	14.8
161.05937	10.6
161.09601	9.2
163.11235	7.4
165.05489	4.0
165.12723	4.8
167.08571	5.6
169.10106	8.0
171.08044	6.3
171.11629	7.5
173.04466	9.9
173.05966	8.0
173.09544	3.2
175.07541	4.2
175.11162	11.1
177.12685	6.0
183.08043	6.2
183.11697	6.1
185.09599	4.4
185.13339	3.7
187.07568	6.3
189.05406	6.8
191.10687	5.1
193.12238	18.6
195.13762	8.9
197.09523	4.0
199.11104	4.2
203.14177	4.1
207.13754	5.2
211.11322	4.4
211.13290	11.8
219.13756	6.2
223.11253	3.9
225.12773	3.3
227.12578	4.7
229.81541	3.7
229.83694	4.4
235.13176	8.7
241.16188	3.6
245.15430	4.0
249.14900	5.1
255.13890	4.7
259.13336	4.6
260.37042	3.3
261.14786	4.2
267.15921	12.4
269.17474	17.4
273.14780	25.0
283.13077	5.6
285.14777	8.6
289.14566	4.5
301.14337	32.6
303.15875	11.1
319.15286	14.4
321.17050	4.7
337.16406	6.8
375.17938	6.8
377.19583	4.2
393.18866	6.6
395.20770	5.0
461.29019	7.4
479.29990	5.4
495.27234	4.8
541.31250	5.0
551.30292	4.2
557.30298	5.0
569.31006	19.3
587.32153	29.2
605.33185	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	13.2
55.01865	11.3
55.05501	29.3
56.33577	3.1
57.03432	13.2
57.07057	3.8
62.82523	3.4
63.64071	3.6
65.03928	7.6
67.05496	80.8
69.03419	20.1
69.07068	22.7
69.41350	4.3
69.41744	32.1
71.04993	7.3
71.13167	3.2
72.67761	3.4
73.02900	3.5
79.05065	5.2
79.05494	67.8
80.12572	3.3
81.03413	96.0
81.07050	100.0
83.04975	20.3
83.08612	23.5
85.02907	17.7
85.06531	6.2
91.05476	75.8
93.07036	51.5
95.04960	48.4
95.08602	31.4
97.02918	18.0
97.06543	9.7
97.10162	9.0
98.20765	7.8
99.04441	6.6
99.08064	5.1
101.70886	3.6
103.05480	6.7
103.15427	3.3
105.07022	48.0
107.04946	23.3
107.08574	29.8
108.23425	3.7
109.02885	28.6
109.06525	11.5
109.10152	11.1
111.04443	14.5
111.08073	8.4
113.02457	3.4
115.05427	7.8
117.07001	18.8
119.04921	4.6
119.08572	29.5
121.06480	16.8
121.10132	20.9
123.04411	8.4
123.08041	9.5
123.11733	5.6
125.02396	4.2
125.09645	7.8
127.03925	12.2
129.06984	23.4
131.04927	9.0
131.08565	28.1
133.06505	8.9
133.10126	25.0
135.08029	7.0
135.11707	12.1
137.05946	4.2
141.06973	5.8
143.08534	11.5
145.06512	13.4
145.10144	13.2
147.04396	6.7
147.08037	10.3
147.11681	25.0
149.05959	5.7
149.09656	9.8
149.13248	9.7
153.06979	3.3
155.08543	9.1
157.06538	3.8
157.10112	11.7
159.08026	7.2
159.11691	10.4
161.06004	9.7
161.09700	4.2
163.11156	11.9
165.05542	3.9
165.07011	4.2
165.12770	10.0
167.08588	5.0
169.10242	5.5
171.08046	7.4
171.11667	7.2
173.04501	9.3
173.05989	6.7
173.09666	5.9
175.11201	9.1
177.12744	6.6
183.07985	5.2
183.11746	5.9
187.07558	4.5
187.11128	3.8
189.11195	4.8
193.12286	16.1
195.11852	3.7
195.13803	9.3
201.12775	4.4
207.13777	4.8
211.13287	12.4
211.15036	4.3
219.13712	4.7
227.12677	4.0
249.14845	5.7
261.14886	5.4
267.15955	9.4
269.17471	13.7
271.13165	5.0
273.14835	17.8
285.14569	6.0
297.17160	4.2
301.14310	18.8
303.15939	8.7
308.30576	3.9
319.15540	12.0
321.17139	4.8
375.17938	6.7
393.19196	5.7
395.20584	7.3
477.26541	4.9
485.29083	4.9
569.30731	19.4
587.32001	22.7
605.32971	57.1
606.33777	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	605.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	16.6
53.31157	2.7
55.01871	15.4
55.05511	43.6
57.03425	14.4
65.03930	7.0
67.05502	82.2
68.41749	2.7
69.03428	23.7
69.07063	26.5
69.98393	4.5
69.98796	12.8
71.04987	6.9
79.05494	75.4
81.03416	78.5
81.07054	100.0
81.07529	5.9
83.04990	22.3
83.08616	27.7
85.02898	19.7
85.06538	4.3
88.55344	2.9
91.05479	74.1
91.06018	5.6
93.07043	63.0
95.04965	51.9
95.08604	35.8
97.02898	17.9
97.06536	14.2
97.10181	13.1
99.04446	4.8
99.08070	3.8
103.05479	6.6
105.06380	4.5
105.07030	48.3
107.04959	24.1
107.08588	34.3
109.02882	28.1
109.06506	8.3
109.10164	10.1
111.04449	10.7
111.08080	10.0
114.97314	2.7
115.05436	6.8
117.07007	21.5
119.04929	5.1
119.08575	30.7
121.02880	4.1
121.06505	17.8
121.10134	21.2
123.04421	10.8
123.08072	6.6
123.11721	6.8
124.05820	2.9
125.02381	4.2
125.05941	2.7
125.09625	7.9
127.03902	18.8
128.06227	6.3
129.07004	22.8
131.04958	8.8
131.08548	28.2
133.06544	15.8
133.10114	23.3
135.04456	5.9
135.08076	9.8
135.11699	8.9
137.05989	5.7
141.06984	9.8
142.07793	6.0
143.08577	9.5
145.06500	10.6
145.10077	13.4
147.04425	7.8
147.08034	9.4
147.11685	20.6
149.05988	6.4
149.09630	8.6
149.13264	17.4
151.07494	3.4
155.08559	6.3
157.06540	5.0
157.10109	15.8
159.08092	7.2
159.11684	17.5
161.06000	8.9
161.09586	6.3
163.11191	6.7
165.05574	3.3
165.07057	4.8
165.12756	4.6
167.08542	3.8
169.10098	4.4
171.08031	7.4
171.11700	6.9
173.05974	4.2
173.09666	7.4
173.13240	4.0
175.11180	12.7
177.12788	6.6
181.10069	3.1
183.08015	4.8
183.11708	4.4
185.09628	5.6
185.13190	5.0
187.07472	3.1
187.11249	4.6
189.05444	6.2
189.11211	6.5
189.12750	4.4
191.06940	3.1
193.10608	2.8
193.12219	19.4
195.13850	8.8
199.07700	5.0
205.12209	3.3
211.13179	18.5
219.13718	3.4
241.12140	2.9
249.14960	5.3
255.13742	4.2
257.15207	3.9
259.13461	3.5
261.14862	5.5
267.15982	11.6
269.15149	3.0
269.17606	20.1
273.14944	20.5
277.14401	3.5
283.13202	3.3
301.14355	19.5
303.15927	8.1
318.93161	3.5
319.15460	9.8
320.08224	3.6
337.16647	4.3
363.22940	3.3
375.18079	6.1
393.19159	6.6
461.29449	4.6
467.28110	3.4
479.29935	12.6
513.27972	3.0
521.34479	3.1
523.31055	4.0
531.29181	3.6
541.31860	4.5
551.30145	4.0
557.30988	6.6
569.31128	17.1
587.32117	27.1
605.33087	57.9
606.33032	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	605.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53199	1.2
71.58607	1.7
95.08578	1.1
121.73114	1.1
136.39211	1.1
162.23502	1.3
191.00795	1.3
219.44743	1.3
247.11134	1.2
415.19125	5.0
416.20026	2.3
429.20813	8.7
430.21539	4.5
443.22327	3.6
444.23663	8.3
445.24109	3.8
458.25171	2.6
459.25873	4.1
471.22241	1.6
472.22922	3.1
473.23450	6.3
476.21902	1.8
485.23468	4.6
487.24878	22.5
503.24545	2.3
517.26221	2.6
532.29254	1.4
545.25507	17.7
546.26166	2.5
581.84436	1.3
605.27557	100.0
606.28149	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	605.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86747	0.3
53.03950	1.4
55.01861	0.7
55.05267	0.4
55.05512	4.8
57.03430	0.7
65.03937	1.8
67.01871	0.4
67.05481	0.9
68.99786	1.0
69.03076	0.4
69.03432	6.3
70.58547	0.9
71.04983	0.4
79.01822	0.4
79.05498	0.4
80.32747	0.3
81.02980	0.5
81.03416	6.1
83.04980	21.3
83.40516	0.3
85.02905	2.9
93.03391	2.3
93.07067	0.4
95.04955	0.6
97.02888	6.6
99.04448	1.0
105.03380	0.4
107.04949	0.6
109.02886	2.8
111.00806	1.1
111.04440	10.4
121.02857	5.0
121.06425	0.3
126.06720	0.3
127.03915	4.0
129.05499	0.5
133.02797	0.4
137.02367	0.4
137.05969	0.4
139.03897	11.1
143.03340	0.6
145.04945	1.7
145.06467	0.5
147.04419	0.6
153.01825	9.6
157.04955	5.1
165.01828	1.5
178.73627	0.3
183.02866	0.9
185.05972	0.5
188.24161	0.3
213.05544	1.5
213.07278	0.3
231.06598	0.7
241.04895	0.4
255.08670	2.0
258.05283	1.0
259.05966	0.6
265.07263	0.4
283.08063	1.9
287.05490	100.0
288.05811	1.1
290.19659	0.3
301.09183	3.0
319.10214	0.9
329.06619	0.4
449.07095	0.4
598.25159	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.5
53.03930	1.7
55.01848	0.8
55.05509	6.3
57.03442	2.7
58.56433	0.5
59.84664	0.4
65.03910	0.7
66.74104	0.4
67.05505	2.8
68.99790	1.1
69.03428	4.0
69.07053	1.0
70.34302	0.4
71.04980	1.2
79.01842	0.7
79.05488	6.4
81.03415	5.4
81.07055	48.9
83.04984	1.2
83.08588	1.1
85.02904	3.7
85.06513	0.6
91.05489	2.7
93.07046	3.5
95.04954	2.1
95.08603	6.2
97.02897	7.2
97.06541	1.0
98.21526	1.1
99.04448	1.3
99.08090	51.2
100.11253	1.1
105.07003	1.4
107.08604	1.2
109.02879	3.3
109.06512	0.8
109.10127	1.1
111.00787	0.9
111.04433	1.3
111.08057	1.4
117.06977	0.7
119.08554	1.3
121.02837	0.5
121.06475	1.3
121.10126	0.8
123.04401	0.7
123.08073	3.1
125.02364	0.6
127.03921	4.7
131.08614	0.5
133.10054	0.5
137.02312	4.1
137.05963	1.1
139.07509	1.3
141.09106	5.2
141.56454	0.5
143.03372	1.9
145.04915	1.6
147.11639	0.7
149.02328	0.5
153.01826	24.2
153.02869	0.9
157.08632	1.0
159.10172	11.0
163.03923	1.0
163.11040	0.6
165.01820	2.0
167.07054	0.7
173.05939	0.9
181.10184	0.5
183.02846	0.8
187.03816	0.9
194.07184	0.5
195.03088	0.5
201.05478	1.9
205.10298	0.5
229.04950	4.7
247.06004	1.2
257.04474	3.0
267.12277	3.2
274.04602	1.0
285.03992	1.8
285.13400	1.3
301.71793	0.5
303.04984	100.0
304.05426	0.9
315.04965	0.8
345.06018	4.5
587.32703	0.5
605.22272	0.6
605.31842	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19261	0.4
55.05513	2.5
57.03418	0.8
61.02910	0.7
62.06076	0.9
67.05507	2.2
69.03430	3.1
69.07049	1.0
70.06593	0.6
70.40300	1.6
71.08631	4.9
72.08147	1.0
73.02914	0.5
79.05472	2.3
81.03400	2.3
81.07047	5.3
83.04996	0.5
83.08614	1.0
84.08133	1.1
85.02901	3.7
85.51153	0.4
86.06068	5.0
87.04453	0.6
91.05487	2.6
93.07043	1.4
95.04951	1.1
95.08611	2.4
96.08123	2.6
96.98170	0.5
97.02888	2.2
97.06511	1.2
98.06065	0.5
98.09686	2.6
99.04446	0.8
99.08086	3.1
105.07022	2.1
106.11097	0.6
107.08591	1.9
108.08131	1.4
109.02837	1.4
109.06527	0.9
109.10117	0.7
110.09649	0.5
116.10726	20.0
119.08581	1.8
121.10128	1.4
122.09656	1.2
123.11652	0.9
124.07580	0.5
126.09144	0.5
127.03909	1.5
129.07021	0.5
133.10057	0.6
135.08002	0.6
135.11676	0.5
136.11165	0.6
140.10696	1.1
143.10657	1.9
147.11659	4.7
149.09668	0.6
153.01863	0.7
154.15900	3.3
157.10178	0.7
164.14334	0.7
165.12833	2.2
166.15881	1.7
168.17560	0.7
175.11151	1.3
178.15913	1.4
193.12274	1.5
196.16949	7.5
211.13210	0.7
214.18008	100.0
215.18088	0.7
215.63451	0.4
229.14355	5.4
250.58040	0.4
256.46390	0.4
288.81354	0.5
344.24338	5.3
376.23282	16.7
442.31653	6.3
506.29404	1.6
604.37518	3.8
619.50757	0.5
631.52850	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.7
53.08541	3.1
55.01863	18.1
55.05511	53.2
57.03431	19.6
65.15334	3.5
67.05505	51.8
69.03429	13.3
69.07063	11.4
70.89338	3.5
70.89665	9.7
71.04993	9.4
72.48124	3.2
73.02884	5.0
79.05492	67.4
81.02960	2.8
81.03416	71.2
81.07061	53.3
83.04980	16.8
83.08611	31.9
85.02913	34.3
91.05481	61.5
93.07040	44.4
95.01332	4.3
95.04963	63.6
95.08621	27.6
97.02898	9.0
97.06526	7.5
97.10179	21.2
102.05228	3.4
103.05490	14.1
105.03418	3.8
105.07034	49.3
107.04961	26.7
107.08599	26.3
109.02886	15.1
109.06519	12.7
109.10166	13.6
111.04430	12.3
111.08140	8.9
113.06030	5.5
115.05464	14.9
117.07030	21.8
117.07757	3.7
119.04925	10.0
119.08580	32.2
121.02878	9.5
121.06527	18.1
121.10134	12.1
123.04446	11.8
123.08107	8.1
123.11765	5.0
125.09633	20.9
126.76077	3.5
127.03906	5.9
128.06248	10.0
128.52757	3.3
129.07019	29.6
131.04918	20.5
131.08565	26.1
133.06509	21.6
133.10129	15.9
135.08073	10.4
135.11671	5.9
137.02315	6.6
137.05984	12.6
141.06987	5.2
143.08557	11.3
145.06490	26.0
145.10141	21.6
147.04407	19.6
147.08058	16.9
147.11708	12.7
149.05995	10.5
149.09656	11.0
150.43233	3.6
153.01842	4.5
153.06975	4.5
153.12794	6.8
155.03362	3.7
155.08569	9.4
157.06468	13.8
157.10141	12.3
159.04439	5.8
159.08080	11.7
159.11647	4.9
160.05190	7.8
161.05974	29.6
161.09599	12.7
161.10956	3.5
163.07623	3.5
163.11176	14.7
165.09143	9.1
167.08618	9.2
169.10086	4.7
171.04364	4.7
171.08032	12.5
173.05969	37.8
173.09523	4.2
174.06750	7.2
175.03891	7.6
175.07579	11.8
175.11157	11.9
177.05511	5.9
181.06497	4.4
181.12207	4.7
183.08153	6.3
185.09622	5.6
185.13351	4.5
186.06702	4.4
187.07588	21.1
189.05495	32.6
189.09157	4.8
189.11197	7.3
191.10814	5.0
193.12212	22.7
195.08109	7.8
197.09669	6.5
199.11166	5.9
203.07138	4.6
209.09592	4.8
211.13258	37.1
227.12622	6.7
245.15427	8.9
255.13815	10.7
257.15390	7.5
259.13260	4.8
265.12057	4.2
267.15927	8.5
273.14825	26.0
283.13196	23.2
285.14709	14.3
285.17050	13.6
287.05756	5.3
289.14352	4.9
289.87384	3.7
301.14294	89.9
303.15894	5.3
319.15488	13.3
341.17358	16.6
343.15414	11.5
357.16913	5.0
359.18048	4.7
375.18051	19.1
465.26260	4.8
493.25839	9.1
511.26859	16.3
543.29248	22.1
549.14978	4.6
555.29755	6.5
567.29242	15.8
573.30273	17.4
584.64435	5.2
585.30573	100.0
603.31476	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	5.1
53.03939	8.7
55.01860	12.8
55.05510	53.8
57.03425	13.6
67.05504	51.3
69.03435	11.1
69.07069	22.5
71.04985	10.1
79.05495	66.3
81.02985	5.5
81.03420	65.9
81.07055	65.3
83.04978	15.0
83.08615	28.3
85.02905	32.6
85.06556	6.0
87.04431	4.6
91.05483	67.6
93.07041	40.2
94.04095	3.6
95.04973	69.9
95.08627	20.0
97.02886	7.5
97.06516	6.4
97.10172	30.5
99.04461	4.5
103.05489	11.9
105.07038	44.7
107.04952	29.0
107.08582	27.7
109.02885	17.4
109.06518	13.4
109.10163	10.9
111.04423	12.5
111.08062	10.6
113.06031	5.0
115.05458	14.1
117.07029	24.5
119.04951	9.3
119.08580	30.4
121.02879	9.7
121.06510	21.7
121.10140	16.4
123.04412	10.3
123.08073	9.3
123.11681	5.0
125.09642	13.7
127.03968	7.8
128.06233	11.4
129.07028	29.4
131.04933	20.1
131.08571	22.6
133.06490	16.3
133.10162	9.6
135.04446	5.4
135.08051	9.0
135.11684	9.3
137.02374	7.8
137.06004	5.0
137.09644	7.2
139.11133	3.7
141.06992	12.2
143.08583	10.9
145.06482	25.5
145.10124	13.1
147.04445	10.2
147.08029	13.1
147.11705	17.8
149.05988	8.5
149.09589	11.5
153.01840	10.3
155.08586	7.4
157.06503	13.0
157.10103	18.3
159.08063	13.9
160.05191	6.2
161.05972	28.0
161.09706	7.3
163.11209	17.5
165.09102	9.1
167.08560	7.9
169.10165	7.0
171.04469	5.2
171.08067	13.1
173.05991	39.4
173.09654	9.6
173.13434	3.7
174.06757	11.9
175.04037	4.5
175.07559	8.8
175.11217	7.7
179.08534	5.9
181.10098	4.8
181.12286	5.6
183.08075	5.5
185.05983	6.9
185.09573	4.5
186.06798	5.9
187.07533	23.2
187.11244	5.7
189.05490	27.7
189.09358	4.4
189.11221	13.4
193.12248	32.4
195.07977	7.5
197.09660	5.0
199.07562	9.2
201.05569	3.9
201.09059	4.2
211.13287	27.0
213.09081	4.7
213.12753	5.7
225.12726	4.9
227.12767	12.6
255.13802	16.6
257.15637	4.9
273.14853	27.8
283.13086	19.5
285.14697	13.1
285.17081	14.3
289.14322	7.8
301.14340	90.2
301.17630	6.9
303.15924	8.0
313.17859	6.2
315.15894	9.5
319.15356	15.4
323.16461	4.9
341.17538	15.8
343.15439	20.4
359.18658	5.7
375.17813	18.6
465.26337	4.3
475.24658	9.3
493.25742	13.0
511.26730	15.9
525.28619	5.0
529.28015	4.1
539.29712	4.8
543.29626	25.7
555.29138	6.9
564.79333	4.3
567.29279	18.7
573.30432	18.9
585.30707	100.0
603.31653	72.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39668	3.6
53.03944	9.2
55.01865	17.6
55.05510	40.6
57.03428	18.3
67.05501	48.2
69.03422	13.7
69.07067	18.6
69.37724	13.0
69.38151	27.5
71.05000	8.0
79.05491	50.9
81.02978	8.0
81.03416	87.0
81.07053	60.3
83.04974	26.8
83.08623	22.8
85.02897	35.3
91.05476	67.8
93.07039	51.5
95.04970	71.5
95.08611	33.5
97.02910	7.6
97.06537	4.5
97.10175	15.6
103.05471	12.3
105.07036	45.6
107.04945	24.3
107.08594	30.8
109.02866	24.1
109.06519	8.2
109.10165	17.9
111.04455	16.3
111.08080	7.9
115.05472	12.8
117.07032	19.0
119.04941	9.7
119.08578	32.5
121.02879	11.7
121.06503	14.0
121.10157	22.4
123.04417	10.0
123.08074	7.4
123.11737	7.1
125.09617	13.1
127.03949	6.8
127.11447	4.0
128.06204	5.2
129.07018	23.0
131.04926	16.0
131.08585	24.4
133.06474	23.3
133.10115	17.0
135.04454	6.3
135.08067	7.8
135.11725	7.2
137.02307	5.0
137.05972	10.5
137.09575	6.4
141.06984	8.1
142.07762	6.6
143.04881	4.1
143.08545	10.2
145.06490	25.4
145.10141	12.5
147.04424	13.1
147.08070	12.6
147.11703	14.4
149.06024	9.5
149.09642	9.8
151.07527	6.7
153.01834	7.5
153.12660	5.0
155.08530	8.9
157.06535	12.3
157.10126	12.3
159.04456	5.3
159.08073	10.2
159.11671	6.7
161.05952	28.5
161.09647	8.1
161.13248	5.7
163.11189	16.5
165.09099	20.7
165.12657	6.8
167.08505	6.0
169.10118	4.4
171.04530	4.9
171.08000	10.0
171.11803	6.9
173.05975	38.2
174.06787	5.9
175.03944	4.2
175.07515	5.2
175.11194	16.0
177.05501	5.4
183.11729	6.6
185.09732	4.6
185.13203	5.0
187.07523	15.8
187.11180	5.3
189.05455	34.9
189.11270	7.3
191.10629	6.2
193.10493	6.4
193.12207	35.8
199.07635	4.9
201.09222	5.7
203.10706	4.4
211.11299	6.1
211.13220	37.1
227.12677	7.3
255.13832	7.9
257.15503	4.3
267.15930	8.1
273.14905	27.9
283.13150	20.7
285.14484	8.6
285.17047	18.2
289.14368	9.0
301.14319	100.0
303.15924	5.3
319.15347	16.8
326.53931	4.9
341.17609	6.0
357.16992	9.0
360.79520	5.0
375.18054	23.5
393.19058	8.1
463.24866	4.4
465.26331	5.6
511.26971	6.8
549.28424	5.9
557.30487	5.1
567.29315	11.5
573.30481	22.3
585.30548	80.3
603.31714	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	1.5
53.03938	5.0
55.01861	6.3
55.05496	3.8
61.72481	1.2
65.03953	1.5
67.05491	3.9
67.10062	1.3
69.03431	13.4
69.86119	5.7
69.86529	3.1
71.04990	1.5
79.05489	61.4
81.03419	6.7
81.07057	3.4
83.08609	5.1
84.09946	1.2
85.02891	7.6
85.80621	1.4
91.05467	21.7
93.06480	2.5
93.07041	43.4
95.04970	17.2
95.08568	1.8
97.02898	4.6
97.06529	4.0
103.05469	1.5
105.04494	2.9
105.07065	2.3
107.04912	1.6
109.02886	1.8
111.04477	1.4
111.08070	9.4
121.02884	1.5
121.06503	16.9
123.94596	1.4
127.03907	6.8
129.33430	1.5
133.06508	2.1
133.10033	1.8
135.08044	2.9
137.02292	3.8
137.05959	1.6
139.07535	63.6
140.32524	1.4
145.04922	2.9
149.05975	2.5
153.01865	7.0
163.03940	1.8
163.07550	1.7
165.01869	1.9
173.06058	2.0
193.91940	1.7
201.05510	1.9
229.04947	4.6
257.04626	2.4
265.10803	1.6
303.04974	100.0
304.05301	2.3
345.06241	1.8
463.11035	1.6
600.42609	1.7
602.42389	3.0
603.42792	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.8
53.03941	1.2
55.01870	2.4
55.05508	1.8
55.94852	0.8
69.03433	3.6
70.04955	3.5
79.05493	11.8
81.03411	5.1
83.08633	2.1
85.02888	5.0
91.04987	0.8
91.05468	6.1
93.07041	9.9
94.52041	0.8
95.04955	4.6
97.02893	2.9
97.06521	2.0
109.02868	2.0
111.00846	1.4
111.08074	2.4
116.92056	0.8
121.06508	3.6
125.43419	0.9
127.03934	3.3
135.08073	1.1
137.02370	3.7
137.05962	1.2
139.07541	6.6
151.07521	0.9
153.01820	7.1
163.04002	1.5
163.07602	1.1
165.01852	2.1
173.06093	1.3
182.33199	0.9
201.05511	1.9
211.95584	0.9
229.04947	5.0
257.04541	3.1
265.10834	1.2
285.04019	1.2
287.05472	2.7
289.06021	0.8
303.04974	100.0
304.05347	3.6
345.06134	0.9
433.47699	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	2.5
51.34295	2.0
53.03945	11.7
53.10960	2.0
55.01873	14.2
55.05514	30.7
55.91103	2.3
56.64983	2.1
57.03439	13.5
67.05503	40.6
69.03433	14.7
69.07071	14.2
70.06593	2.4
70.15164	8.2
71.01369	2.9
71.04982	6.7
73.02919	2.2
77.03904	3.2
79.05065	3.6
79.05492	53.0
81.03417	62.8
81.07053	41.4
83.04974	14.1
83.08616	22.1
85.02909	30.0
91.05478	62.7
92.54425	2.5
93.06477	2.9
93.07038	43.8
95.04965	54.2
95.08608	14.1
97.02888	7.6
97.06516	8.3
97.10156	9.2
99.04483	4.1
103.05470	5.5
104.50560	2.5
105.06385	3.2
105.07031	36.6
107.04941	16.9
107.08573	11.9
109.02869	20.4
109.06511	8.1
109.10145	6.8
111.04453	12.7
111.08102	11.0
113.05952	2.6
115.05441	7.3
117.07021	20.1
119.04934	5.0
119.08590	19.7
121.02866	9.4
121.06496	22.2
121.10139	14.1
123.04459	4.5
123.08064	7.0
125.02414	2.8
125.09620	10.5
126.23042	2.3
127.03895	7.6
128.06229	5.9
129.07011	15.2
130.07835	2.2
131.04893	12.5
131.08601	16.5
132.87151	2.0
133.06505	15.8
133.10152	10.4
135.08023	6.2
135.11630	2.6
137.02362	11.5
137.05966	3.8
137.09608	3.6
139.07523	9.8
141.07011	5.3
143.03368	3.0
143.08562	6.7
145.06471	19.3
145.10168	11.7
147.04373	13.0
147.08038	9.0
147.11670	11.7
149.05936	7.8
149.09604	7.3
153.01793	22.3
153.06929	2.8
153.12758	2.3
155.08551	7.3
157.06497	8.4
157.10156	11.4
159.08054	8.3
159.11661	3.7
160.05199	4.9
161.05983	23.7
161.09625	3.2
163.07559	3.9
163.11150	9.4
165.01888	2.6
165.06985	3.1
165.09120	2.9
165.12825	2.5
167.07095	2.7
167.08569	4.7
169.06439	3.2
169.10013	3.0
171.03008	2.2
171.04442	2.8
171.08051	6.8
171.11703	2.4
171.25673	2.4
173.05969	27.4
173.09604	4.4
174.06779	4.9
175.03781	3.9
175.07552	6.7
175.11148	8.8
181.10146	3.7
181.12172	5.0
183.02876	2.6
183.08112	4.7
183.11667	4.0
185.06009	5.9
185.13257	2.6
186.06734	2.4
187.07553	11.4
187.11143	2.6
189.05452	22.4
189.09114	4.0
189.11194	3.9
191.06946	3.2
191.10631	5.5
193.10521	3.7
193.12257	28.6
195.08003	2.4
195.11754	2.9
197.09549	4.4
199.07532	4.9
199.11264	3.1
201.05441	4.5
201.09093	4.5
203.06931	2.5
203.10640	2.6
211.07571	3.1
211.13289	33.7
213.12738	4.5
223.11180	3.3
223.13319	2.1
227.12665	3.6
229.04947	6.8
237.12703	2.5
239.10631	3.3
241.12270	2.3
255.13771	8.6
257.04459	3.3
257.15524	3.7
259.13379	3.7
267.16006	5.1
273.14847	21.5
283.13208	13.4
285.14651	7.6
285.17584	10.4
289.14291	4.1
291.16074	3.4
301.14328	73.9
303.04990	100.0
303.16006	5.1
304.05106	4.3
319.15378	12.3
339.04935	3.8
357.17047	4.5
375.17941	14.1
393.19125	6.8
447.25040	2.7
475.25018	2.7
493.25662	3.7
511.26624	3.7
539.29449	2.9
557.30402	2.5
567.29388	9.6
573.30713	13.2
585.30536	42.7
603.31628	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	603.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35360	2.0
53.03926	7.7
55.01867	11.5
55.05508	2.6
57.03436	2.3
67.05508	12.8
68.48670	1.9
69.03419	8.8
69.64507	14.2
71.04980	2.0
74.33846	1.8
79.05487	11.8
81.03412	14.0
81.07064	3.0
85.02901	7.2
91.05486	28.4
93.07037	100.0
94.44803	2.0
95.04957	16.3
95.08600	5.5
97.02895	5.3
97.06524	2.4
105.07059	3.1
107.08609	2.3
109.02879	7.1
111.04383	2.3
111.08078	22.8
119.08544	2.8
121.06526	10.3
127.03944	5.1
137.05980	5.6
139.07527	40.4
153.01810	15.8
154.02110	5.2
157.08603	8.7
212.68916	2.1
243.06578	2.2
265.10660	3.7
277.03421	9.4
287.05429	3.7
303.01355	16.8
303.04550	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	601.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.8
55.01865	5.6
55.05510	19.0
57.07069	19.8
57.43120	3.0
57.93566	2.7
67.05504	36.5
69.03413	9.4
69.07051	13.9
69.24706	11.9
69.25127	25.4
71.08614	9.4
79.05488	28.8
81.03419	38.6
81.06594	3.2
81.07056	53.8
83.04968	11.1
83.08602	12.7
85.06519	5.0
89.06042	3.1
91.05475	34.0
93.07041	48.8
95.04964	15.6
95.08597	35.9
97.06503	9.6
97.10171	6.0
98.20734	6.4
105.07031	63.1
107.04932	8.3
107.08579	43.3
109.06504	17.5
109.10140	22.9
111.04468	3.1
111.08057	6.2
115.05437	7.2
117.07005	23.4
119.08580	67.8
121.06503	7.9
121.10144	48.7
123.08067	25.3
123.11670	4.2
124.89764	2.9
125.05978	5.0
125.09631	7.2
128.06221	8.1
129.06976	7.5
130.07797	4.4
131.08578	24.9
133.06473	9.5
133.10114	40.4
135.08047	16.2
135.11690	17.9
137.05937	4.4
137.09593	17.5
139.11137	3.6
141.06943	4.9
142.07753	12.1
143.08537	24.0
144.09337	4.2
145.06427	5.7
145.10118	44.2
147.08037	31.1
147.11711	16.6
149.09618	10.5
149.13115	3.5
151.07526	12.7
153.09068	3.7
155.08513	9.5
156.09315	8.6
157.10117	27.4
158.10883	4.6
159.08020	5.4
159.11723	18.2
160.05240	5.4
161.05986	18.0
161.09610	13.6
161.13184	6.6
163.11200	8.5
165.09097	51.7
167.08653	3.5
167.10654	10.6
168.09372	4.2
169.10133	15.5
170.10890	5.0
171.11714	18.1
172.40955	3.6
173.06024	14.2
173.09628	5.3
173.13260	11.2
175.11246	7.4
175.14798	11.7
179.08546	4.5
181.10104	6.5
181.12224	10.4
182.10924	3.8
183.11613	14.1
185.13271	11.2
187.07495	6.9
187.14813	4.2
189.11191	8.7
189.12735	3.7
191.14287	4.6
193.10083	5.0
195.11610	10.7
196.12515	3.6
197.13255	11.1
199.14816	8.3
203.14334	22.3
205.15945	3.3
206.10872	3.9
207.11783	6.0
207.13734	5.0
209.13174	8.4
211.14810	5.6
213.16302	3.9
215.14264	3.9
221.13422	4.9
221.15349	100.0
223.07585	3.1
223.14807	4.8
225.16389	4.4
233.15366	4.5
235.14824	5.9
235.17149	3.6
243.13896	5.3
247.14719	4.7
255.17340	4.0
271.13245	20.7
275.20023	9.7
286.19196	3.3
287.20190	5.3
289.14328	5.5
291.19370	19.4
301.21558	3.8
309.20773	3.8
313.27313	11.4
345.16940	8.1
359.74609	3.3
367.26196	9.1
491.35065	8.3
565.39240	3.9
583.40930	11.9
601.41779	68.7
602.40479	4.3
618.81891	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	601.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.3
54.18636	3.1
55.01868	5.4
55.05513	21.6
57.07070	14.4
58.87392	2.7
59.04988	5.8
65.03931	5.9
67.05502	44.5
69.03416	13.8
69.07070	20.3
69.87489	14.6
71.71758	3.0
74.96581	2.7
79.05486	38.6
81.03392	3.8
81.07056	50.0
83.04978	16.3
83.08601	13.9
85.06536	8.4
87.04472	7.5
89.06019	5.1
91.05468	65.8
93.07038	82.7
94.07351	4.0
95.04955	23.8
95.08600	54.1
97.06524	13.4
97.10147	3.3
103.05473	3.6
105.07027	100.0
107.04932	3.3
107.08589	76.7
109.06512	15.5
109.10149	31.0
111.08067	5.2
115.05419	4.2
117.07013	25.0
119.08578	94.7
121.06497	10.1
121.10136	77.2
123.08054	20.2
123.11707	10.4
125.06011	5.1
125.09655	12.4
128.06184	13.2
129.07018	23.1
130.07782	9.6
131.08551	44.3
133.06488	5.6
133.10123	55.1
135.08057	22.6
135.11705	21.8
137.09619	19.1
139.11140	5.0
141.06967	11.9
142.07773	28.6
143.08575	45.7
144.09338	11.4
145.06468	3.8
145.10118	67.0
147.08032	22.3
147.11676	20.9
149.09634	16.5
149.13225	3.2
151.07503	13.1
151.11165	4.4
153.06949	3.7
154.07787	3.7
155.08549	20.9
155.10640	7.3
156.09340	18.9
157.10132	54.6
158.10857	9.3
159.08046	11.2
159.11688	36.6
161.09615	13.8
161.13268	10.7
163.11172	13.1
165.07022	6.5
165.09111	35.4
167.08533	8.3
167.10655	43.1
167.14572	3.0
168.09332	7.4
169.10121	28.0
170.10947	8.1
171.07982	4.0
171.11697	36.9
173.09581	9.9
173.13190	17.7
175.11147	8.3
175.14874	18.4
177.12775	3.4
179.08638	7.9
180.09297	7.8
181.10074	15.9
181.12289	7.5
182.10986	7.5
183.11690	26.2
184.12305	3.9
185.09608	5.2
185.13200	24.7
187.11183	8.2
187.14864	8.6
189.12756	5.2
191.14278	4.5
193.10164	14.5
193.11768	3.7
194.10847	10.3
195.11723	23.9
196.12427	7.5
197.13284	24.1
199.14795	10.1
201.12711	4.1
201.16318	4.5
203.14282	16.9
205.10115	3.8
205.15871	4.2
206.10857	4.8
207.11652	12.9
207.13768	8.8
208.12447	5.9
209.13286	20.5
209.15123	3.7
211.14841	12.1
213.12724	5.4
213.16418	4.5
215.14197	5.9
217.10103	4.1
219.11629	7.7
219.17316	3.4
220.12445	6.4
221.13210	16.0
221.15294	73.3
222.13983	4.0
223.14697	14.4
225.16420	8.2
227.14320	3.7
232.12476	3.5
233.13277	6.4
233.15416	21.4
235.14775	12.1
237.12671	4.3
237.16408	6.9
239.17987	6.3
241.15738	2.9
244.12276	4.4
247.14737	7.3
247.17014	5.8
249.16417	6.4
251.17986	4.9
259.14621	5.3
261.16333	7.2
263.18179	5.0
265.19589	7.7
267.17444	3.6
269.19107	8.1
273.16199	3.4
273.87936	3.6
279.21310	3.8
281.19250	3.8
283.20593	6.2
287.20190	6.5
297.74646	3.2
299.20105	8.9
301.21780	3.8
332.44131	3.8
349.24960	4.1
367.25922	4.0
420.19492	3.6
491.35193	7.3
565.40155	5.0
583.41315	17.5
601.42566	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.6
54.43498	3.1
55.05504	18.3
57.07058	14.2
59.05008	5.2
65.03935	7.4
67.05494	30.2
69.03413	13.5
69.07072	25.3
71.04973	4.4
72.61020	3.4
76.91399	3.4
77.97044	4.2
79.05492	31.5
81.03406	8.2
81.07047	47.1
83.04990	21.4
83.08604	15.3
85.06551	5.9
85.51370	3.8
87.04467	7.9
89.06023	9.8
91.05473	66.4
93.07038	90.7
95.04959	26.0
95.08605	48.4
97.06506	13.3
105.07027	97.5
107.08591	76.0
109.06511	19.7
109.10160	33.8
111.08061	9.5
111.11704	4.3
115.05419	10.2
116.68083	3.6
117.06961	22.8
119.08578	94.8
121.06496	13.4
121.10133	80.1
123.08050	23.7
123.11678	12.4
125.09615	11.6
128.06203	12.6
129.06982	15.8
129.89238	3.9
130.07750	9.9
131.08569	48.3
133.10118	61.4
135.08031	18.8
135.11710	19.3
137.09570	15.7
139.11177	6.3
140.22127	3.8
141.06963	7.3
142.07753	25.4
143.08565	44.9
144.09392	7.6
145.06340	5.2
145.10117	73.2
147.08026	23.5
147.11636	18.7
149.09654	18.5
149.13214	6.5
151.07487	13.5
155.08633	18.3
156.09328	20.9
157.10115	62.8
158.10867	10.3
159.08083	18.0
159.11690	39.7
161.09581	13.9
161.13245	9.3
163.11159	11.9
165.06972	10.5
165.09117	44.3
167.08563	12.3
167.10677	48.7
168.09381	6.3
169.10117	24.1
170.10863	10.0
171.11674	36.5
172.12218	4.3
173.09628	5.4
173.13222	18.5
175.11195	9.2
175.14864	17.4
179.08507	8.7
180.09242	4.5
181.10089	14.3
181.12212	10.6
182.10872	9.8
183.11671	24.1
184.12463	7.7
185.09531	4.8
185.13310	20.4
187.11194	8.3
187.14780	10.1
189.12761	9.3
191.14348	8.5
193.10226	8.7
194.10844	9.7
195.11707	25.9
196.12402	6.6
197.13281	23.8
199.11084	4.0
199.14792	11.1
201.12622	4.7
201.16357	4.7
203.14377	17.6
206.10898	8.1
207.11688	15.0
207.13620	6.0
209.13243	22.9
209.15057	6.1
210.13838	4.9
211.11272	5.0
211.14827	11.7
213.12863	6.8
213.16405	9.1
215.14378	4.9
219.11601	5.2
220.12506	7.7
221.13248	14.3
221.15334	100.0
223.14813	15.8
225.12685	5.9
225.16405	6.9
227.14264	7.6
229.15846	4.5
231.11583	5.1
233.13329	8.2
233.15340	26.2
234.13983	4.6
235.14758	9.9
237.16441	4.8
239.17842	5.0
245.13101	5.3
247.14781	4.9
249.16364	7.6
263.17706	4.4
265.19336	4.7
269.19025	11.1
281.18863	4.9
283.20630	6.0
289.19254	4.4
299.20276	5.4
301.21704	3.9
367.26660	5.5
478.14944	4.2
491.35098	8.2
583.41132	11.5
601.42603	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47462	2.4
53.03938	5.5
55.05505	19.8
57.07074	11.5
59.05007	2.2
65.03934	5.0
67.05503	36.5
69.03425	17.1
69.07069	20.5
69.34656	23.1
71.04980	3.0
79.05490	35.8
81.07053	50.5
83.04983	21.5
83.08627	14.8
85.06533	10.1
87.04455	5.1
88.45871	2.6
91.05477	65.6
93.07037	86.7
95.04974	27.2
95.08604	42.1
97.06522	11.6
97.10144	3.0
103.05461	5.1
105.07027	100.0
106.07368	2.4
107.08587	83.3
109.06521	17.4
109.10146	39.2
111.08063	5.9
111.11700	3.1
113.06005	2.3
113.09670	6.4
115.05427	6.6
117.07020	23.8
119.08572	95.4
120.08904	4.5
121.06483	13.5
121.10138	84.0
123.08063	15.1
123.11692	10.7
125.05975	3.5
125.09614	11.4
128.06219	12.3
129.07005	18.6
130.07755	7.9
131.08574	46.1
133.06494	5.0
133.10121	66.8
135.08041	16.9
135.11682	21.3
137.09612	8.8
139.11180	3.3
141.06992	11.6
142.07776	28.6
143.08557	43.4
144.09280	9.4
145.06522	4.3
145.10115	73.4
145.11276	3.8
146.07271	2.5
146.10486	4.9
147.08055	12.8
147.11681	26.7
149.09589	20.1
149.13284	3.4
151.07521	7.0
153.06985	6.6
153.09038	3.7
154.07744	3.3
155.08577	20.0
155.10628	5.4
156.09328	17.4
157.10123	53.9
158.10837	9.3
159.08069	18.7
159.11688	37.2
160.12158	2.6
161.09587	14.8
161.13264	9.6
163.11143	11.5
165.07018	8.4
165.09109	10.3
165.12909	2.5
166.07782	3.0
167.08641	11.6
167.10670	61.6
168.09315	6.5
169.10130	30.8
170.10873	10.4
171.11674	40.3
172.12064	3.3
173.09622	10.7
173.13246	25.2
175.11150	8.6
175.14778	12.7
179.08533	10.8
180.09315	5.7
181.10152	14.4
181.12228	9.5
182.10892	8.1
183.11674	26.5
184.12430	2.9
185.09648	4.6
185.13280	21.7
186.13686	2.7
187.11145	5.9
187.14774	9.5
189.12732	8.3
191.14246	5.9
193.10133	10.5
193.12146	2.4
194.10890	8.7
195.11708	29.1
196.12389	9.4
197.13284	25.9
199.11266	5.5
199.14804	17.3
201.12738	3.0
201.16408	5.7
203.14291	9.9
205.10155	3.4
206.10869	7.1
207.11655	13.3
208.12410	9.8
209.13292	26.3
209.15227	5.0
210.13770	6.5
211.14804	15.1
213.12680	4.3
213.16457	4.9
215.14362	5.4
218.10843	2.7
219.11714	3.4
220.12364	3.8
221.13239	16.7
221.15366	27.8
222.13843	5.1
223.14870	13.4
225.12738	3.0
225.16359	8.2
227.14310	6.0
227.17999	2.8
231.11714	4.3
233.13268	5.7
233.15358	34.0
235.14754	8.6
237.16379	7.0
238.17055	4.1
239.17880	3.9
245.13295	2.8
246.13931	3.4
247.14767	9.0
248.15492	3.1
249.16379	7.3
251.17856	5.6
253.19565	2.8
255.17198	5.0
257.18869	3.1
259.14813	4.9
261.16324	5.8
262.17130	4.6
263.17917	6.4
265.19537	6.8
269.19034	7.8
271.20422	3.3
273.18591	3.9
275.17743	3.0
277.19577	5.4
281.18958	3.7
285.18539	7.4
295.20520	7.5
299.20154	5.8
301.21652	2.7
328.40060	2.6
352.23746	3.4
353.24567	4.3
361.24796	3.7
365.24619	3.4
367.26218	2.9
375.26904	3.6
428.85275	2.6
565.40228	6.2
583.40967	6.7
601.42450	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	11.4
55.01876	9.6
55.05503	27.8
57.07076	11.4
58.30202	7.4
67.05499	41.6
69.03408	13.4
69.07061	23.1
69.31249	75.9
73.02139	6.7
76.89895	6.2
77.24544	7.8
79.05489	45.2
81.07064	60.5
83.04966	13.0
83.08633	14.3
89.06030	7.6
91.05479	68.3
93.07038	84.2
95.04971	24.7
95.08595	47.6
97.06557	16.2
105.07036	89.7
107.08585	83.5
109.06528	18.8
109.10128	33.2
113.09621	11.2
117.07001	18.3
119.08563	100.0
121.10151	79.7
123.08065	16.7
123.11707	9.3
125.09636	17.2
128.06264	14.0
129.06987	13.4
129.66708	7.1
131.08569	28.3
133.06541	8.2
133.10114	47.3
135.08070	15.7
135.11684	22.3
142.07767	21.7
143.08582	41.5
143.97464	6.9
144.09396	11.3
145.10136	71.4
147.08041	15.3
147.11696	19.4
149.09615	18.6
151.07576	14.7
155.08546	12.7
155.10646	8.5
156.09384	10.2
157.10126	53.2
159.11690	42.4
161.09628	14.9
163.11177	14.8
165.09103	13.3
167.10678	45.7
169.10136	28.2
170.10852	13.0
171.11702	26.1
172.12323	6.8
173.09647	9.2
173.13286	16.1
175.11130	8.1
175.14822	18.2
179.08475	16.0
181.10132	17.3
181.12131	14.1
183.11725	17.9
185.09618	8.5
185.13199	8.1
187.11148	7.0
187.14911	11.4
189.12758	9.8
193.10124	16.1
195.11757	17.7
196.12486	13.5
197.13225	26.1
203.14323	18.0
207.11679	14.9
209.13226	19.5
211.14835	16.3
221.13330	15.6
221.15421	41.7
223.14868	13.2
225.16478	8.9
229.15944	10.0
233.15472	29.4
251.18095	9.2
255.17369	12.2
259.14645	9.2
269.19058	10.5
283.20758	8.1
296.52536	8.4
583.40906	20.4
601.42291	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	601.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87656	10.5
53.36825	11.1
54.33083	11.2
55.05505	26.4
55.07619	11.9
57.07061	25.8
58.26904	12.3
63.93941	12.5
65.03922	14.2
67.05490	59.3
69.07053	28.9
69.83071	77.1
70.24532	14.8
76.00239	11.7
76.18295	14.6
78.03550	11.8
79.05499	32.9
81.03392	11.8
81.07056	78.9
83.04943	14.3
83.08617	12.2
91.05476	58.3
93.07059	78.2
95.04935	31.2
95.08587	48.1
105.07042	93.8
107.08572	58.4
109.06480	17.0
109.10136	36.1
117.06986	20.9
119.08590	80.4
121.10128	48.2
123.08056	25.1
124.40974	12.8
129.06943	18.7
131.08545	46.9
133.10109	52.5
135.08026	33.6
135.11720	14.8
137.09615	22.9
142.07771	21.4
142.61327	12.4
143.08578	36.8
145.10098	58.3
147.08064	21.9
147.11653	43.9
149.09621	16.0
151.07573	17.1
155.08531	20.4
156.09334	19.7
157.10135	50.2
159.11652	32.2
161.09584	19.3
161.13324	16.5
164.80814	13.1
165.09113	37.2
167.10634	18.4
169.10040	20.9
171.11667	30.5
173.13284	20.3
175.11163	18.0
181.10123	17.1
183.11748	17.9
185.13283	29.7
197.13290	16.6
199.14894	17.2
203.14343	18.2
209.13184	16.4
209.89088	11.9
211.17061	13.7
218.17291	13.3
221.13338	21.9
221.15269	100.0
223.14876	19.6
233.15530	25.2
278.44434	13.2
280.22763	12.3
436.65433	12.8
521.35632	15.4
601.42834	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72707	11.7
50.88904	10.8
55.05503	24.6
57.07066	23.6
59.42522	9.9
61.51248	9.9
67.05507	31.6
69.07061	30.1
71.50343	21.8
75.63691	10.1
79.05485	43.2
81.07051	58.5
91.05473	44.5
93.07047	71.1
95.04963	25.0
95.08590	38.4
105.07029	96.2
107.08590	44.4
109.06511	27.7
109.10173	28.1
117.07055	18.7
119.08588	100.0
121.10173	57.9
123.08035	23.0
129.07022	25.0
130.07841	12.7
131.08577	43.4
133.10114	74.8
135.08015	16.1
135.11711	23.1
137.09599	24.3
138.14876	10.4
141.39365	10.5
141.66188	10.2
143.08534	35.4
145.10146	77.8
147.08051	25.8
147.11690	31.6
154.94530	10.8
155.08548	13.0
156.09328	14.1
157.10118	45.8
159.11713	36.3
161.13208	20.1
165.09116	50.2
169.10136	35.8
171.11717	43.7
173.13246	25.9
175.11223	15.7
183.11826	24.1
185.13225	20.7
193.12282	12.0
195.11627	21.3
196.12520	13.6
197.13275	22.0
199.14877	12.8
209.13297	22.7
221.13315	16.1
221.15315	91.3
287.19693	11.3
340.57834	10.8
568.42535	22.6
601.42224	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	16.7
57.07063	15.6
57.60468	11.8
61.35904	11.8
62.93468	10.8
67.05494	41.4
69.07045	25.5
70.23595	50.9
70.94598	10.8
79.05478	40.5
81.03416	16.3
81.07041	53.2
83.04961	19.9
91.05469	36.1
93.07037	100.0
95.04952	26.7
95.08588	38.5
100.49155	11.8
105.07036	82.2
107.08581	61.9
107.17849	11.4
109.06483	16.6
109.10123	29.0
111.08021	11.4
117.07007	47.4
119.08577	71.9
121.06538	15.9
121.10104	56.9
123.08053	28.3
123.11720	18.5
131.08560	41.9
133.10127	53.7
135.08025	38.1
135.11687	22.3
142.07797	19.0
143.08571	31.8
145.06549	13.0
145.10098	51.8
147.08008	38.8
147.11687	29.7
149.09613	26.7
151.07538	34.0
155.08563	19.8
157.10072	52.5
158.10623	11.2
159.11641	45.4
165.09120	32.7
167.10687	24.7
169.10089	34.1
170.10707	10.7
171.11647	23.4
173.13277	12.8
175.11104	18.5
181.12149	17.2
183.11594	26.4
185.13213	35.0
189.12669	17.9
195.11684	15.8
197.13208	21.1
203.14226	23.6
207.11824	14.2
207.13666	15.7
207.39037	14.0
211.14778	12.9
221.15398	70.2
225.16371	12.6
271.16895	21.6
312.47964	11.7
352.24030	14.2
521.35840	21.2
529.99426	11.5
539.27075	14.0
601.41656	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	7.6
57.07061	11.3
67.05502	11.2
67.70033	4.8
69.24998	36.1
69.25429	21.2
78.52338	4.8
79.05481	14.0
81.07050	26.2
91.05477	18.2
93.07029	27.4
94.37045	5.0
95.04946	8.0
95.08599	20.4
98.20785	9.7
105.07005	36.5
107.08591	21.0
109.06510	8.6
109.10118	6.8
117.07048	7.4
119.08605	31.8
121.10130	23.1
123.08046	13.9
125.06034	7.9
128.06302	5.9
131.08583	14.3
133.10121	18.4
135.08035	13.7
137.09624	11.4
142.07770	6.6
143.08578	9.6
145.10121	27.1
147.08028	19.7
147.11676	9.2
149.09531	6.3
151.07541	16.8
156.09320	7.2
157.10138	14.8
158.10802	4.5
159.11665	16.0
161.09587	5.4
163.11200	9.8
165.09070	41.4
169.10049	10.8
171.11670	11.9
173.13193	5.9
179.08698	6.9
179.10515	5.7
181.12270	11.2
183.11671	9.6
185.13268	8.3
187.14841	5.4
194.11011	5.5
195.11682	4.9
197.13206	6.7
203.14317	13.0
207.13794	6.4
221.15350	100.0
222.15671	11.6
237.16510	5.8
237.30487	5.0
247.17204	6.1
287.20010	7.3
300.20786	8.1
325.98010	5.4
352.23795	6.2
356.02649	5.4
367.26163	7.0
441.29434	7.7
450.20758	5.0
491.35013	10.2
509.35889	6.2
521.35876	5.9
572.30157	5.6
583.41455	11.7
601.42163	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.7
57.07058	7.2
59.04972	3.1
67.05510	11.4
69.03416	8.9
69.07055	8.8
69.25461	15.9
69.25890	12.7
76.62586	2.2
79.05474	12.9
80.24762	2.0
81.07059	25.3
85.06535	4.6
89.08501	2.6
91.05477	24.7
93.07043	37.3
95.04949	9.8
95.08594	22.2
97.06523	2.8
98.21590	3.0
105.06379	4.3
105.07024	38.9
106.07330	3.8
107.08598	24.5
109.06479	13.6
109.10158	7.9
111.08089	3.6
117.06999	11.2
119.08583	44.5
121.06480	5.5
121.10140	24.5
123.08060	21.1
123.11664	2.7
125.06015	5.9
128.06165	6.7
129.06984	7.2
130.07835	2.5
131.08556	20.5
132.67509	2.6
133.10143	24.4
135.08049	13.9
135.11699	7.7
136.89966	2.8
137.05952	2.9
137.09589	12.1
141.06973	3.6
142.07756	11.4
143.08559	17.6
144.09344	3.9
145.10126	30.8
147.08029	20.6
147.11691	6.0
149.09641	5.6
151.07536	16.2
155.08530	10.0
156.09288	7.4
157.10117	27.6
158.10730	3.4
159.08112	3.5
159.11679	18.7
159.73424	2.3
160.12080	3.1
161.09564	6.9
161.13292	4.2
163.11163	10.3
165.09105	48.2
166.09431	2.8
167.08604	3.3
168.09361	2.9
169.10095	10.6
170.10806	3.2
171.11644	14.3
173.13266	7.6
174.10362	3.4
175.11189	5.9
175.14828	7.8
181.10130	4.4
181.12218	11.2
183.11652	8.6
184.12350	4.1
185.13269	9.0
187.11098	4.0
187.14865	4.5
189.12769	5.0
191.14227	2.9
193.10141	6.4
193.12282	4.5
194.10739	2.6
195.11632	5.5
197.13211	6.6
199.11162	4.5
199.14789	4.1
201.12840	2.7
201.16383	3.5
203.14352	16.2
207.11731	5.2
207.13783	7.8
209.13213	10.4
211.14838	4.2
220.12358	3.2
221.13364	5.4
221.15341	100.0
222.15723	11.2
223.14885	2.9
237.16307	2.3
247.16977	6.1
265.19409	3.5
269.18768	2.7
274.19067	3.3
275.19717	3.3
285.18567	2.7
287.19873	7.1
299.19907	3.2
300.20688	4.1
301.21622	5.2
349.25232	2.5
352.23877	5.0
353.24329	4.4
367.26257	9.0
407.97003	2.4
408.02631	2.9
441.29636	5.4
491.35281	12.5
491.94556	2.8
509.35886	4.7
521.36017	3.9
583.41626	11.6
601.42554	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.4
55.01865	1.7
57.03422	1.1
57.19264	0.6
62.27623	0.6
65.03941	3.8
67.05474	0.9
68.99781	1.2
69.03423	4.9
73.47755	0.6
79.01825	0.6
79.05489	3.2
81.03407	3.4
81.07059	5.2
85.02887	3.7
85.14166	0.6
91.05478	16.5
93.03413	1.0
93.07018	1.5
95.04969	4.5
95.08607	1.0
96.34210	0.5
97.02885	4.0
99.04449	1.1
103.01238	0.5
105.07007	0.9
107.04910	1.4
107.08574	1.1
109.02852	1.5
109.06512	2.3
111.00800	0.7
117.06992	0.8
119.04954	4.7
120.34758	0.7
121.02847	1.5
121.06496	0.7
127.03936	3.7
133.06494	1.1
137.02301	4.2
137.05977	7.7
143.03395	0.7
145.04926	1.3
145.06396	0.6
147.04430	1.0
149.05922	0.8
153.01836	14.9
153.16707	0.6
160.54425	0.7
161.05969	1.5
163.03905	0.8
165.01831	1.9
167.07094	0.7
169.35617	0.6
171.02872	0.8
183.02965	1.0
183.04596	0.6
187.03973	0.8
201.05515	1.4
205.12569	0.7
229.04968	4.4
257.04510	3.3
257.06790	0.6
285.03867	1.7
287.05521	7.5
303.04980	100.0
304.05341	1.4
335.11392	1.3
345.05826	0.7
426.77448	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01859	1.7
55.57882	0.3
57.03429	1.0
65.03935	5.6
67.05507	1.9
68.74226	0.3
68.99792	1.0
69.03431	7.9
71.01338	0.4
71.04975	0.6
71.57887	0.5
73.02914	1.0
79.05065	0.4
79.05490	5.0
81.03418	6.6
81.07059	6.8
83.04959	0.5
85.02904	9.9
91.05479	23.1
93.07034	1.3
95.01290	0.5
95.04970	4.7
97.02896	4.3
99.04452	2.2
103.05477	0.5
105.04551	0.5
105.07041	1.7
107.04946	2.3
109.02866	4.0
109.06509	2.4
111.00822	0.9
111.04415	0.5
115.05450	0.7
117.07000	0.7
119.04928	6.1
119.08524	0.4
121.02853	1.3
121.06478	0.9
123.04396	0.9
125.02299	0.6
127.03914	5.1
128.06221	0.5
129.07022	0.4
131.04926	0.6
133.06470	1.0
133.10147	0.5
135.04425	1.6
136.07539	0.4
137.02348	4.0
137.05981	8.4
143.03409	0.6
143.08574	0.4
145.04970	1.2
145.06464	0.7
149.05957	1.3
151.03899	1.5
152.04172	0.5
153.01830	11.4
154.08583	0.3
161.05981	1.1
163.03868	0.9
164.07034	0.5
165.01855	2.7
171.02884	0.6
173.06012	1.0
179.03346	0.7
183.02910	1.1
184.35097	0.4
185.06081	0.4
187.04045	0.4
191.06982	0.5
201.05411	2.0
205.04874	0.6
229.04935	5.0
247.06012	1.2
257.04489	3.3
263.09116	1.2
265.56671	0.3
267.04907	0.5
274.04776	1.1
285.03989	1.4
287.05493	5.7
288.05911	0.6
301.03378	0.5
302.04153	0.4
303.04987	100.0
304.05313	2.2
345.06134	0.5
351.58047	0.4
379.07849	0.5
393.09601	0.6
421.09152	1.0
447.08902	0.6
471.60785	0.4
583.15204	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	601.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.2
51.02158	0.1
51.02365	0.5
52.03929	0.1
53.00299	0.2
53.03939	0.1
53.44867	0.1
55.01861	0.2
57.03428	0.3
61.02917	0.2
65.03927	0.1
68.99785	0.6
69.03430	0.6
71.57890	0.2
73.47415	0.1
74.51659	0.1
79.01847	4.4
79.05489	0.2
81.03405	1.0
85.02901	1.2
87.00799	0.1
88.62722	0.1
95.04974	0.2
97.02880	1.8
97.10708	0.1
99.04468	0.3
105.03399	0.4
107.01311	1.2
107.04947	0.4
109.02875	1.3
111.00791	0.6
111.04385	0.1
121.02858	2.8
123.00811	0.1
125.02338	3.8
125.03258	0.2
127.03899	1.5
129.07031	0.1
131.20126	0.1
133.02893	0.5
135.69992	0.1
137.02307	1.0
141.07011	0.1
143.03383	7.7
145.04921	0.3
145.06531	0.1
147.04420	0.5
151.03807	0.1
153.01819	100.0
154.02141	1.1
157.06465	0.4
161.05986	0.2
165.01819	1.5
169.06494	0.1
171.02873	1.2
171.04411	0.3
183.02888	0.8
185.05977	0.5
193.70605	0.1
195.02878	0.6
197.06007	0.1
198.89688	0.1
201.05571	0.1
203.06966	0.1
207.92717	0.1
213.05449	1.2
229.04909	0.2
231.06479	0.6
241.04926	0.7
255.04976	0.2
258.05225	1.1
259.05951	0.4
269.04465	0.1
287.05472	80.8
288.05853	1.6
297.05991	0.7
299.05533	0.2
311.05417	0.1
315.07083	4.0
329.06589	0.6
349.77203	0.1
353.06543	0.2
372.71555	0.1
395.07507	0.3
431.09805	0.2
482.87317	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	601.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13978	0.7
53.03937	2.2
55.01866	1.1
55.11766	0.6
60.40108	0.7
65.03923	2.9
67.05487	1.4
68.99762	0.8
69.03423	5.0
69.65536	0.7
71.01313	0.7
71.58247	0.9
73.61928	0.7
78.58948	0.7
79.01849	3.5
79.05479	2.9
81.03410	5.4
81.07045	3.9
83.04982	1.2
85.02430	1.1
85.02905	11.9
91.05477	19.4
93.07041	2.9
95.04961	3.9
97.02888	10.3
97.06538	1.2
101.79169	0.6
105.07036	1.5
107.04940	2.0
107.08553	1.2
109.02876	4.7
109.06496	3.0
111.00822	1.0
111.04436	0.8
117.07035	0.9
119.04942	5.3
121.02894	3.8
125.02348	2.7
127.03904	6.1
127.64245	0.7
133.02861	0.8
133.10077	0.8
135.04375	1.1
137.02316	3.1
137.05989	4.3
143.03378	5.5
145.05003	0.9
147.04410	1.6
151.03877	0.8
152.78114	0.8
153.01825	62.1
154.02209	0.9
161.05989	0.9
163.03885	0.7
164.62549	0.7
165.01807	2.7
171.02899	2.0
181.04965	0.8
183.02911	2.0
185.05965	1.0
213.05434	1.5
229.04973	2.7
231.06522	1.0
258.05112	1.1
269.12891	1.1
287.05487	100.0
288.05792	1.8
297.05969	1.5
299.05615	1.4
303.04968	36.2
315.07373	1.2
389.14835	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27856	0.5
68.63586	0.5
69.03095	0.5
69.03431	9.0
78.30035	0.6
79.01848	2.7
79.19334	0.5
87.37174	0.5
97.02890	1.8
99.04479	0.5
109.02851	0.9
121.02864	1.1
125.02359	3.0
127.03888	4.8
138.29326	0.6
143.03398	5.5
143.63109	0.5
153.01823	100.0
154.02148	0.9
163.03897	1.5
164.97943	0.6
166.89006	0.5
171.02887	1.3
177.05255	0.5
177.36194	0.5
179.03380	1.0
181.01288	0.6
184.52467	0.5
191.03404	2.5
205.05019	1.0
207.02989	0.9
209.04514	0.7
221.04460	0.6
224.52728	0.5
229.70644	0.5
233.04459	1.5
237.03960	2.6
241.04918	0.7
279.05066	0.9
287.05490	26.8
297.05981	3.2
311.05585	1.4
315.07208	3.5
329.06497	1.4
378.24298	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1188
Annotation	Kaempferol 3-(2''-galloylglucoside)
Peak:m/z	Relative Intensity
52.13978	0.7
53.03937	2.2
55.01866	1.1
55.11766	0.6
60.40108	0.7
65.03923	2.9
67.05487	1.4
68.99762	0.8
69.03423	5.0
69.65536	0.7
71.01313	0.7
71.58247	0.9
73.61928	0.7
78.58948	0.7
79.01849	3.5
79.05479	2.9
81.03410	5.4
81.07045	3.9
83.04982	1.2
85.02430	1.1
85.02905	11.9
91.05477	19.4
93.07041	2.9
95.04961	3.9
97.02888	10.3
97.06538	1.2
101.79169	0.6
105.07036	1.5
107.04940	2.0
107.08553	1.2
109.02876	4.7
109.06496	3.0
111.00822	1.0
111.04436	0.8
117.07035	0.9
119.04942	5.3
121.02894	3.8
125.02348	2.7
127.03904	6.1
127.64245	0.7
133.02861	0.8
133.10077	0.8
135.04375	1.1
137.02316	3.1
137.05989	4.3
143.03378	5.5
145.05003	0.9
147.04410	1.6
151.03877	0.8
152.78114	0.8
153.01825	62.1
154.02209	0.9
161.05989	0.9
163.03885	0.7
164.62549	0.7
165.01807	2.7
171.02899	2.0
181.04965	0.8
183.02911	2.0
185.05965	1.0
213.05434	1.5
229.04973	2.7
231.06522	1.0
258.05112	1.1
269.12891	1.1
287.05487	100.0
288.05792	1.8
297.05969	1.5
299.05615	1.4
303.04968	36.2
315.07373	1.2
389.14835	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33890	20.2
61.38224	22.5
61.63847	25.0
67.05508	32.6
79.05505	26.3
89.06007	33.5
91.05449	29.8
93.07028	62.7
95.08601	49.1
96.50462	22.2
105.07027	47.7
106.82149	24.3
119.08556	47.8
121.10156	26.5
133.10136	42.2
138.01964	22.6
145.10092	37.7
147.07967	38.9
157.10139	41.1
159.11653	43.6
160.08871	55.7
166.09419	27.5
173.13152	29.1
197.13437	29.7
221.15347	100.0
222.15665	30.6
401.01151	22.8
440.29169	25.9
537.39233	27.9
600.41595	48.0
620.40240	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33890	20.2
61.38224	22.5
61.63847	25.0
67.05508	32.6
79.05505	26.3
89.06007	33.5
91.05449	29.8
93.07028	62.7
95.08601	49.1
96.50462	22.2
105.07027	47.7
106.82149	24.3
119.08556	47.8
121.10156	26.5
133.10136	42.2
138.01964	22.6
145.10092	37.7
147.07967	38.9
157.10139	41.1
159.11653	43.6
160.08871	55.7
166.09419	27.5
173.13152	29.1
197.13437	29.7
221.15347	100.0
222.15665	30.6
401.01151	22.8
440.29169	25.9
537.39233	27.9
600.41595	48.0
620.40240	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1181
Annotation	Kaempferol 3-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
51.02368	1.3
59.63293	0.9
63.32257	0.8
67.83315	0.7
68.26699	0.7
71.49687	1.5
76.22339	0.7
79.01842	3.5
80.27557	0.7
85.02905	1.0
97.02915	1.1
105.03342	0.9
107.01296	1.1
109.02873	1.6
116.24817	0.8
116.78649	0.8
121.02862	2.8
125.02363	3.3
127.03962	1.4
137.02298	0.9
143.03384	8.0
153.01819	100.0
154.02118	0.7
165.01828	1.0
171.02849	1.1
174.84056	0.6
179.59152	0.6
183.02681	0.8
185.06061	0.8
187.38658	0.7
213.05354	0.7
254.02509	0.8
287.05487	76.5
288.05682	1.1
315.07129	3.4
473.07327	0.9
482.82590	0.8
549.05682	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1181
Annotation	Kaempferol 3-(2''-galloylglucoside)
Peak:m/z	Relative Intensity
51.91019	0.6
53.03933	1.1
56.15527	0.6
58.26983	0.5
60.52955	0.6
62.30288	0.6
69.03416	2.6
70.17985	2.6
71.05004	0.8
72.67873	0.6
79.01860	4.2
81.03410	7.9
85.02896	1.9
97.02895	5.2
99.04446	0.7
107.01285	1.9
109.02881	5.3
110.99603	0.6
111.00841	0.8
115.87255	0.6
119.33199	0.6
121.02921	1.1
123.40993	0.6
125.02385	3.3
127.03916	5.4
137.02324	1.7
143.03389	6.7
145.04922	1.1
153.01825	100.0
154.02127	1.0
165.01785	1.5
171.02898	10.4
213.05531	1.0
231.06587	0.9
233.78096	0.6
241.05066	0.6
258.05264	0.8
287.05490	66.7
288.05951	1.1
297.06046	11.4
303.04889	0.8
315.07086	2.6
489.33023	0.8
585.12067	0.7
604.63239	0.8
627.06293	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	36.9
67.05497	49.4
69.07063	24.4
71.58958	20.2
77.69976	18.6
79.05481	24.7
81.07053	44.2
83.08640	28.3
91.05476	50.2
93.07050	70.0
95.04996	33.5
95.08606	41.9
105.07050	52.1
107.04949	28.2
107.08594	42.5
109.06592	21.5
109.10136	24.8
116.35450	19.2
119.08582	66.3
129.06966	26.6
131.08582	21.4
133.10152	49.0
135.08081	24.8
139.11201	28.5
143.08549	33.1
145.06563	22.8
145.10165	74.8
147.08002	28.1
147.11690	26.5
156.09329	17.7
157.10164	51.8
159.11710	27.0
160.08778	100.0
165.09016	24.9
169.10229	21.7
171.11734	23.6
181.12155	32.4
183.11757	25.1
203.14348	20.3
209.13318	21.5
216.14949	18.3
221.15387	75.6
234.16100	34.1
287.20187	26.5
325.21500	28.0
352.23941	45.6
440.29355	27.5
440.88385	20.8
459.76001	21.4
520.35059	28.7
536.61505	19.6
600.41937	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	600.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	16.4
67.05496	28.8
69.03411	12.2
69.07047	16.4
71.58482	12.4
75.10957	8.8
79.05479	33.4
81.07072	45.8
83.04981	14.2
83.08640	14.8
85.06541	12.1
89.06003	12.9
91.05488	48.1
93.07040	56.1
93.60674	7.7
94.53233	8.6
95.04961	17.5
95.08589	34.9
105.07030	69.7
107.08595	59.6
109.06486	21.3
109.10182	11.0
115.05470	8.5
117.06998	24.8
119.08589	68.5
121.06470	12.9
121.10111	48.7
123.08076	31.1
128.06232	16.8
129.06972	18.2
131.08557	23.6
133.10118	48.5
135.08057	25.7
137.09631	16.3
141.06966	13.4
142.07785	33.5
143.08565	50.7
144.09290	13.3
145.10152	77.3
147.08032	34.5
147.11642	14.4
149.09584	19.7
151.07542	20.7
154.07852	9.7
155.08461	17.6
156.09459	10.1
157.10147	51.9
158.10843	15.3
159.08055	14.3
159.11685	37.7
161.09572	11.2
161.13313	11.6
163.11145	13.7
165.09071	35.8
167.10783	17.9
169.10045	19.2
170.10890	9.5
171.11681	33.6
172.12273	13.8
173.09621	13.2
173.13330	13.1
175.11140	29.5
181.10030	9.3
182.10863	13.7
183.11656	30.6
185.13249	26.2
188.12021	9.6
189.12810	9.5
190.13551	9.4
195.11697	19.6
197.13216	24.6
199.11151	13.4
203.08643	10.4
203.14270	28.7
207.11667	19.3
208.14626	12.8
209.13197	24.2
211.11180	14.7
213.16402	10.7
219.11769	12.0
221.13365	16.4
221.15332	100.0
222.15813	12.5
223.14786	11.4
232.76797	9.0
233.15392	22.6
234.15981	21.4
237.12703	11.4
237.14810	31.7
247.16859	11.7
255.17578	25.5
269.61783	9.9
279.17316	11.0
287.19995	13.9
303.19461	63.8
313.21643	21.5
325.21530	18.9
337.21677	13.1
352.23859	91.7
365.24710	11.3
377.24448	10.6
502.33878	10.1
507.34360	13.3
508.21982	9.7
508.35217	18.4
520.35339	38.4
584.59186	9.7
600.41180	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	599.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	45.9
66.38853	15.5
67.05500	39.0
69.03400	16.5
71.58498	17.3
79.05492	30.2
81.07050	53.7
85.10191	25.0
91.05473	43.5
93.07046	61.3
93.92171	15.4
95.04958	16.2
95.08599	43.7
95.54514	18.7
105.06985	40.6
107.04935	89.7
107.08628	26.6
117.07038	23.2
118.72830	17.9
119.08567	61.5
121.10142	29.7
137.09579	15.3
145.10077	27.3
147.08032	49.4
149.09633	45.1
157.10123	20.3
165.09142	47.0
165.12782	33.1
196.49893	18.1
203.14349	17.2
221.15361	100.0
247.16972	19.1
289.00870	16.8
295.22803	28.9
354.61981	17.4
377.38422	20.1
516.12427	17.1
599.40479	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53500	1.3
53.84496	1.0
71.02322	3.6
87.01427	1.3
91.05516	1.7
95.08630	1.3
107.04986	1.3
109.02876	1.6
115.05490	1.2
117.07047	1.2
128.06157	2.8
129.06967	6.2
131.08531	7.4
133.06454	1.3
133.10120	1.3
137.02338	3.2
141.06990	2.9
143.03391	1.5
143.08612	2.2
144.05714	3.0
145.06451	2.8
153.01826	14.4
154.02164	2.1
154.04976	1.5
157.06543	3.2
159.08032	13.7
161.09630	3.5
169.07704	1.8
170.07140	1.5
171.08057	2.7
172.05127	1.3
173.05956	1.7
175.07571	2.5
187.07527	8.8
189.05586	1.7
189.09114	5.2
190.54160	1.2
194.65294	1.3
199.07567	2.7
203.07048	2.3
204.07814	5.2
206.09309	1.7
216.07733	2.6
219.10179	4.2
230.70084	1.3
231.10197	3.3
233.11603	1.4
249.11218	100.0
250.11501	1.8
251.12776	3.6
267.12271	4.0
287.05502	38.9
303.04922	3.3
377.01852	3.4
378.01758	1.3
448.09067	1.9
549.17438	1.3
575.36383	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.4
55.01883	2.5
55.05507	12.6
57.03456	2.5
57.07068	8.5
59.04996	3.7
65.03938	4.6
65.35499	1.9
67.05505	19.6
69.03424	16.4
69.07061	11.4
71.04965	2.5
71.91617	2.0
74.19136	2.1
79.05497	16.2
81.03424	3.7
81.07058	23.4
83.04974	13.8
83.08633	6.1
85.06566	10.3
88.48057	2.0
91.05480	32.0
93.07041	36.9
94.09515	2.4
95.04969	21.7
95.08592	18.9
97.06536	3.8
103.05527	3.0
105.07030	49.6
105.07681	3.7
107.04964	4.0
107.08594	38.7
109.06510	12.0
109.10149	15.3
111.08079	3.4
113.88748	2.1
115.05508	4.2
117.07019	10.8
119.08575	43.8
121.06498	10.4
121.10138	38.3
123.08081	20.2
123.11748	5.4
125.06008	3.5
125.09663	7.9
128.06235	9.8
129.07010	12.1
130.07845	2.5
131.08556	24.0
133.06502	6.1
133.10127	29.6
135.08087	14.6
135.11722	8.5
137.09612	10.0
139.07622	2.7
139.11220	4.3
141.06999	6.3
142.07770	15.5
143.08580	32.0
144.09360	10.4
145.06511	2.3
145.10112	35.2
145.23343	2.3
146.07254	2.6
147.08041	18.0
147.11696	10.2
149.09613	14.2
151.07520	19.3
153.07001	3.5
153.09154	3.5
154.07857	3.5
155.08566	15.7
155.10785	3.4
156.09367	14.5
157.10123	35.2
158.10928	4.2
159.08115	11.3
159.11688	21.6
161.09662	11.2
161.13274	5.3
163.11154	10.8
165.06999	4.8
165.09103	29.9
167.08630	8.6
167.10649	16.6
168.09381	4.8
169.10132	19.0
169.56541	2.1
170.10896	4.3
171.08148	2.4
171.11668	22.6
173.09651	8.2
173.13229	13.2
175.11223	8.3
175.14905	3.0
177.09221	4.8
177.12794	4.2
179.08652	7.5
180.09413	5.4
181.10172	11.1
181.12282	5.7
182.11003	4.6
183.11687	20.5
185.09575	4.3
185.13350	8.3
186.10373	2.3
187.11217	7.0
187.14847	2.1
189.12746	11.8
191.14374	5.3
192.09312	4.4
193.10136	8.9
194.10985	6.4
195.11731	10.2
195.13806	3.1
196.12514	5.5
197.09601	3.0
197.11646	3.1
197.13226	14.7
199.11273	5.3
199.14886	3.8
201.12843	4.8
201.26192	2.1
203.14307	12.0
206.10902	3.2
207.11760	13.3
207.13861	12.5
208.12465	3.8
209.09660	2.3
209.13333	16.5
209.15250	3.6
210.14059	3.4
211.11206	5.6
211.14917	4.9
213.12802	3.9
215.14462	4.3
217.10071	2.5
217.15829	3.0
219.11795	4.7
219.13885	2.7
220.12535	2.9
221.13354	9.2
221.15327	56.4
221.26361	2.1
222.14143	2.8
223.11345	2.3
223.14717	13.2
225.12816	3.8
225.16542	4.5
229.10094	2.6
229.74727	2.3
231.11769	3.1
231.13884	2.5
233.13278	4.7
233.15361	41.5
235.14989	4.9
235.17012	2.7
237.12892	2.5
237.16617	3.4
241.15932	2.5
245.13304	4.9
247.14848	5.2
247.17014	3.8
249.16469	3.3
251.14455	4.1
258.14178	2.3
261.16443	3.7
263.17999	5.4
269.19070	3.7
272.46951	1.9
281.18942	10.6
285.18625	4.5
286.19321	3.6
287.20285	5.2
289.19913	2.3
299.20218	6.0
307.20676	2.6
315.21149	2.5
352.24057	4.2
364.24045	5.3
365.24774	3.1
373.25369	2.5
391.26584	4.1
441.30246	3.4
471.33118	2.4
489.33566	6.0
493.33710	3.1
507.34705	91.9
563.87598	2.4
581.40277	6.0
599.41077	100.0
600.41718	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.4
55.01865	10.2
55.05507	22.1
57.03431	12.5
57.07069	11.1
59.04995	5.5
59.97337	2.5
65.03933	5.5
67.05502	100.0
69.03423	23.7
69.07061	9.6
71.01333	2.9
71.04984	6.6
73.02915	3.3
73.03869	2.9
79.05492	31.6
81.03418	64.0
81.03869	5.8
81.07050	34.4
83.04986	15.2
83.08627	15.7
85.02902	12.3
91.05475	27.5
93.07046	25.5
95.04965	18.0
95.08611	13.2
97.02888	18.2
97.06539	8.1
97.10165	12.5
99.04489	5.5
100.31695	3.2
103.51432	3.2
105.07042	15.3
107.04964	7.7
107.08592	15.5
109.02912	6.9
109.06541	7.0
109.10152	52.1
111.04438	7.6
111.08087	8.1
117.06989	5.6
119.08601	15.7
121.06529	2.8
121.10161	10.6
125.09599	13.6
127.03893	6.1
129.05434	2.7
129.07027	4.5
131.08548	8.7
133.10152	5.6
135.08052	5.2
135.11752	4.2
137.09637	5.9
143.03369	3.0
143.08546	3.2
145.10143	4.9
147.11633	4.4
149.09634	5.5
155.10674	3.4
157.10109	8.4
169.10182	2.8
171.06575	3.2
171.11617	3.2
173.09546	4.1
173.11732	13.9
175.11192	5.5
189.11240	8.9
191.10573	3.7
192.83711	2.9
193.12282	6.1
195.11777	3.6
211.13214	3.3
221.15393	6.7
227.12761	4.8
229.14529	3.9
233.87241	3.2
255.80672	2.7
355.17664	5.8
599.31433	14.4
599.40155	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	599.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01873	1.4
55.05509	4.4
57.07074	5.8
59.04990	3.4
65.03935	1.1
67.05499	8.5
69.03426	6.2
69.07068	3.4
71.02813	1.8
75.27515	0.9
77.78732	0.8
79.05489	7.8
81.03404	0.8
81.07055	14.0
83.04980	2.9
83.08613	1.4
83.24263	0.8
84.10166	0.8
85.06557	3.4
91.05484	12.9
93.07044	21.9
95.04962	5.8
95.08610	10.9
97.06544	3.2
103.05502	1.9
105.07027	22.3
105.07681	1.6
107.04957	1.3
107.08590	12.4
109.06519	4.8
109.10153	4.6
115.05474	1.6
117.07021	5.2
119.08579	25.2
121.06490	4.3
121.10143	13.6
121.10978	0.6
122.07297	1.0
123.08064	11.7
123.11762	1.1
125.06000	3.3
128.06293	2.7
129.07001	5.6
130.07799	1.8
131.08562	10.9
133.06499	2.1
133.10138	11.0
135.08054	10.9
135.11659	4.1
137.05988	1.1
137.09625	10.3
139.07637	1.2
141.06981	1.9
142.07782	7.7
143.08565	9.9
144.09361	2.0
145.06512	1.0
145.10123	16.8
146.07361	1.0
147.08049	23.0
147.10617	0.8
147.11646	3.8
149.09628	3.7
151.07550	10.5
151.53438	0.9
155.08556	5.6
156.09320	5.5
157.10126	16.5
158.10899	2.0
159.08037	2.2
159.11694	9.6
161.09613	4.5
161.13264	4.4
163.11183	8.3
165.06943	1.9
165.09109	47.4
166.07776	1.2
167.08606	3.0
167.10626	1.7
168.09390	2.0
169.10149	6.5
170.10925	4.0
171.07950	0.9
171.11685	9.4
172.08847	1.1
173.09756	4.0
173.13268	3.4
175.11169	2.9
175.14842	1.9
177.09142	1.2
179.08716	1.1
180.09383	1.1
181.10155	3.7
181.12245	6.6
182.10901	2.2
183.11693	10.4
185.09691	1.5
185.13242	6.8
187.11206	3.0
187.14815	1.5
189.12794	5.2
191.10706	3.8
191.14342	1.6
193.10240	1.7
194.10982	1.2
195.11691	4.5
195.13643	1.2
196.12543	1.3
197.13199	4.5
199.11247	2.7
199.14835	1.9
201.12749	2.0
203.14314	18.3
206.10892	1.1
207.11740	2.7
207.13869	5.3
208.12566	0.8
209.13304	4.5
209.15201	1.4
210.14107	1.2
211.11220	1.8
211.14845	5.3
211.77409	0.8
213.12793	2.1
215.14445	1.2
217.12447	0.8
219.11732	1.1
221.15361	100.0
223.14839	1.5
225.12799	1.5
227.14395	1.9
229.15915	1.3
231.13770	1.7
233.13203	1.3
233.15408	1.7
234.13733	0.9
235.15005	2.0
237.16580	1.0
239.17978	1.1
243.13943	0.9
245.13354	0.9
247.14590	2.0
247.16948	16.0
249.16527	1.0
269.18744	1.3
273.18695	1.0
277.16019	1.1
281.19009	1.6
286.19308	1.5
287.20120	7.8
293.19064	1.1
299.20053	5.6
301.21902	1.4
307.20779	0.9
311.20129	2.0
325.21689	0.8
327.23291	2.4
365.24759	3.6
391.26239	9.0
413.26852	1.4
419.29211	2.7
427.28534	6.2
453.30069	2.1
507.34409	6.0
519.34924	3.2
550.78802	0.8
581.39844	2.4
599.40912	44.3
600.40515	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	6.3
56.02826	5.8
70.06595	10.0
70.60489	21.1
81.03413	18.4
85.02892	18.0
107.04937	12.9
115.05457	11.5
117.07029	9.0
123.04404	9.8
127.03963	7.9
137.05963	12.4
145.06432	36.2
153.01854	43.2
156.05727	9.6
167.07060	47.1
173.05969	57.2
177.09221	8.3
190.06284	34.8
205.08615	100.0
217.08643	32.1
235.09709	25.9
247.09665	9.6
265.10736	22.6
401.15952	14.2
598.37158	7.3
599.22949	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	597.378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20213	5.4
53.03936	7.5
55.05506	35.5
62.05577	5.3
65.41523	5.1
65.58312	5.7
66.43275	4.9
67.05489	24.5
69.07074	12.5
71.32176	12.8
71.64631	6.0
79.05489	38.3
80.01897	5.5
81.03422	7.6
81.07050	30.7
83.04947	10.5
83.08614	15.8
83.55381	5.4
84.65504	4.6
85.06532	11.0
85.56203	5.3
87.91558	5.8
91.05473	17.3
93.07044	28.8
95.04955	26.5
95.08624	20.6
105.07030	28.8
107.04947	100.0
107.08595	23.8
107.71899	5.6
111.14799	4.9
117.07031	10.4
119.08554	21.4
121.06486	6.2
121.10127	19.1
123.08056	6.0
125.05998	16.1
125.09648	5.8
131.08554	26.0
133.10130	20.7
135.11710	9.5
143.08560	9.0
145.10141	22.2
147.11667	12.5
149.09601	50.2
151.11205	6.2
155.08514	6.8
157.10068	9.8
159.11731	9.2
163.11148	28.5
181.12199	39.3
183.11702	9.0
197.13182	6.7
203.14139	5.9
218.81866	5.6
223.13203	7.0
257.18967	10.7
275.20047	46.8
293.21042	14.1
304.74222	5.4
376.09464	6.3
480.01889	5.9
565.39856	8.5
597.43884	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	597.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.4
55.01862	11.3
55.05505	33.5
62.60244	3.3
65.81134	3.3
67.05498	23.1
69.07050	14.5
71.58072	5.4
79.05493	37.4
81.03413	24.2
81.07047	26.1
83.04968	8.8
83.08617	6.3
91.05478	26.4
93.07040	31.1
95.04982	32.0
95.08630	7.2
97.06498	4.0
103.64057	3.2
105.07033	13.2
107.04219	6.2
107.04948	100.0
107.08584	10.8
109.06505	10.1
109.10095	5.7
111.04430	16.4
111.08070	7.6
117.07011	11.9
119.08565	16.6
121.06518	7.3
121.10139	13.3
123.08083	4.5
125.09631	4.3
129.07004	11.5
131.08574	13.0
133.10144	16.0
135.07999	3.5
135.11668	7.2
139.07521	5.9
143.08603	8.8
145.06506	5.9
145.10132	12.1
147.08000	6.4
149.09622	51.2
151.11203	22.0
155.08594	6.0
157.06456	5.8
157.10107	7.8
159.08066	4.1
160.19839	3.6
163.11194	8.8
171.07990	5.4
177.12746	7.5
180.44568	3.3
181.10086	3.8
185.09628	6.4
189.16335	5.1
196.89847	3.8
197.09460	4.6
199.11165	8.4
203.10701	9.6
233.15846	3.6
241.15814	10.5
243.17336	4.2
243.21458	4.1
269.15436	9.7
273.18417	6.2
275.20172	6.3
287.16443	13.9
287.19540	3.8
291.19519	9.4
293.21103	16.0
423.29443	5.7
441.29730	7.8
529.99719	3.8
579.37109	4.7
597.38818	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	595.1655
Annotation	Datiscin
Peak:m/z	Relative Intensity
57.03420	2.1
61.02926	1.3
69.03414	1.4
69.33473	0.8
69.33809	7.9
70.75660	0.7
71.04990	10.2
79.05431	0.8
85.02899	13.3
97.02859	1.1
109.02866	1.3
115.53575	0.8
121.02851	1.8
127.03906	1.1
129.05466	2.5
130.21957	0.8
147.06529	1.1
153.01871	3.8
165.01863	1.6
173.90179	0.8
183.02911	1.4
213.05444	0.8
258.05170	0.8
287.05481	100.0
288.05835	1.7
343.59695	0.7
427.17172	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1656
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
70.06577	2.6
70.73560	4.6
71.04978	12.1
85.02900	14.8
129.05460	3.1
153.01836	5.1
155.06807	1.6
160.82487	1.7
181.04987	2.4
195.13800	2.2
287.05472	100.0
288.05917	2.7
314.77420	1.9
595.22400	4.2
599.55322	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	595.1656
Annotation	Datiscin
Peak:m/z	Relative Intensity
51.93824	0.3
53.03924	0.4
55.01868	0.4
55.05508	0.5
57.03435	2.2
61.02921	0.6
64.13916	0.3
68.99766	0.6
69.03435	1.6
69.80036	1.7
71.04595	0.6
71.04993	11.7
73.02908	0.7
75.04464	0.6
81.03414	0.8
83.04984	0.5
85.02902	15.2
87.04424	0.3
91.03971	0.3
97.02908	1.3
99.04442	0.3
105.03390	0.4
107.04962	0.4
109.02878	0.5
111.00806	0.8
111.04443	0.6
121.02884	1.9
127.03910	0.9
129.05489	3.6
137.02383	0.5
143.89230	0.3
145.04898	0.9
147.04459	0.4
147.06526	1.1
153.01836	3.6
158.08221	0.3
162.07268	0.3
165.01830	1.4
183.02907	0.9
185.05928	0.5
213.05487	1.2
231.06514	0.7
241.04990	0.7
244.79854	0.3
258.05243	1.0
259.05994	0.5
284.96140	0.3
287.05493	100.0
288.05783	1.1
299.05502	0.7
329.06525	1.0
347.98001	0.3
353.06525	0.3
449.10822	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1447
Annotation	Epimesquitol-(4alpha->O->4beta)-epimesquitol
Peak:m/z	Relative Intensity
51.02365	0.3
53.03940	1.3
55.05493	0.4
57.03419	0.3
58.21946	0.3
62.90738	0.3
65.03930	0.4
65.13814	0.3
67.05496	0.8
68.99776	0.4
69.03436	1.7
69.07067	0.4
71.04964	0.5
73.16592	0.3
77.03919	0.4
79.05509	0.7
81.03414	6.2
81.07044	0.9
85.02917	2.0
91.05468	1.2
93.07043	0.5
95.04987	2.1
95.07420	0.3
95.14188	0.3
97.02882	4.0
99.04415	0.5
103.05464	33.4
104.05789	0.5
105.07024	0.7
107.04945	1.2
109.02882	2.2
109.10181	0.5
115.03912	0.5
115.05426	0.4
117.06995	0.7
119.08588	0.4
121.02836	0.4
122.03810	0.3
123.04341	0.3
127.03902	1.6
131.04926	100.0
132.05264	1.2
135.04393	0.5
135.11826	0.4
137.02365	1.7
137.05962	0.8
145.02757	0.7
145.04927	0.5
145.06508	0.4
149.05978	6.9
151.07556	0.4
153.01828	3.1
161.05992	0.6
163.03937	0.7
165.01872	1.2
165.05547	0.6
167.07050	3.8
169.97447	0.3
173.06000	0.6
175.07555	0.4
177.05438	1.6
179.06993	0.4
181.04962	1.9
183.02864	0.5
191.07086	0.5
201.05437	0.9
229.04993	2.2
233.08229	0.4
235.09497	0.3
247.05934	0.4
253.28683	0.3
257.04431	1.3
275.06125	0.4
275.09131	6.3
285.04025	0.4
287.05438	0.8
291.08777	0.4
293.10260	1.5
303.04984	36.8
304.05389	0.6
340.01605	0.3
345.06100	0.5
373.64706	0.3
385.12915	0.7
416.14590	0.8
430.86829	0.4
595.21259	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.9
67.05505	0.4
69.03412	1.2
70.82735	0.4
70.83067	0.5
71.05000	0.4
76.09872	0.3
76.54848	0.3
79.05491	0.4
81.03398	1.2
81.32938	0.2
85.02888	0.9
88.70657	0.3
89.12798	0.3
91.05479	14.6
95.04987	0.4
97.02921	0.5
103.05436	0.3
105.03377	0.5
105.07019	0.4
107.04967	0.9
109.02906	0.7
111.00830	0.3
119.04939	29.9
119.10847	0.3
120.05253	0.3
121.02874	1.8
127.03900	1.1
131.04871	0.7
137.02345	0.7
145.06467	0.5
147.04405	100.0
148.04666	0.7
152.89000	0.3
153.01837	4.1
165.01814	1.0
165.05489	1.1
167.07056	1.5
168.04132	0.3
181.04941	0.8
183.02972	0.6
185.06020	0.6
213.05435	1.1
231.06416	0.6
238.43185	0.3
241.04985	0.4
258.05298	0.8
287.05490	58.2
288.05783	0.9
291.08542	0.9
309.09708	0.6
327.04758	0.3
329.06326	0.5
405.09494	0.5
416.14417	0.5
523.29126	0.3
538.50812	0.3
595.26923	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56773	0.5
51.02371	0.9
53.03942	0.9
55.01865	0.8
56.68199	0.6
57.03389	0.8
65.03919	0.7
67.05495	1.7
69.03426	1.1
69.07079	0.7
71.58624	0.7
72.46880	0.5
79.05492	1.9
81.03415	1.7
81.07056	2.3
83.04946	0.6
85.02906	2.0
85.06519	0.6
91.05472	3.4
93.03383	0.7
93.07049	0.9
95.04955	3.2
95.08607	1.3
97.02905	1.1
97.06527	0.6
99.04420	0.7
103.05464	30.1
105.07005	1.6
107.04930	2.5
107.08598	0.7
109.02872	1.5
109.06558	0.7
109.10145	1.5
115.05457	0.9
117.06992	0.9
119.04916	1.3
119.08571	1.3
121.02888	1.3
121.06479	1.2
121.10094	0.8
123.04404	1.0
123.08132	0.6
125.06003	0.7
129.74823	0.6
131.04922	100.0
132.05281	0.9
133.06479	0.7
133.10127	1.0
135.04381	1.2
135.11711	0.7
136.05103	0.5
137.02351	3.7
137.05937	2.2
137.69145	0.5
145.02843	1.1
145.06488	1.3
147.04430	1.3
149.02271	1.0
149.05974	1.7
151.03911	0.8
151.07556	1.4
153.01816	4.1
161.05971	1.1
163.03911	1.6
165.01878	1.5
165.05493	1.2
167.07022	9.1
173.05959	1.6
174.06735	0.6
175.07547	0.8
177.05455	2.5
179.06947	1.1
181.04938	4.6
183.02998	0.6
191.06877	0.8
193.08664	0.7
201.05373	1.3
224.84746	0.6
229.04840	2.6
233.08174	0.9
235.09679	0.8
257.04352	1.8
263.06949	0.5
287.05396	2.6
291.10367	0.7
293.10217	3.3
294.08914	0.6
303.04977	57.6
304.05298	1.1
304.93045	0.5
324.58466	0.6
345.06036	1.2
359.10995	0.9
385.12781	1.3
411.14008	0.9
416.14587	1.8
420.56693	0.7
508.47098	0.6
510.60672	0.6
595.21149	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	595.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86740	0.2
53.03934	0.4
54.69751	0.2
61.89669	0.2
65.03931	1.3
68.99813	0.3
69.03431	1.4
69.23550	0.9
69.23969	1.9
76.96910	0.2
77.70636	0.2
81.03424	3.1
85.02901	0.8
91.05479	9.9
92.05797	0.3
95.04971	0.3
97.02877	0.5
99.04452	0.5
109.02870	1.0
119.04936	24.2
121.02874	0.8
127.03917	0.5
147.04402	100.0
147.65027	0.3
148.04750	1.1
153.01836	1.2
165.01868	0.8
165.05486	2.9
167.07086	0.3
181.04916	0.5
218.39339	0.2
231.06668	0.3
241.04987	0.3
257.65964	0.3
258.05215	0.4
287.05487	21.4
288.05878	0.6
291.08621	5.0
309.09656	1.0
344.00070	0.3
387.25125	0.2
390.19354	0.2
589.63800	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1443
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
53.03932	0.5
62.68612	0.3
65.03925	1.5
65.05075	0.3
69.03419	1.6
70.09642	1.7
75.84311	0.3
81.03410	3.5
85.02889	1.3
91.05477	12.0
95.04900	0.4
95.11103	0.3
97.02882	0.6
99.04471	0.4
107.04879	0.4
109.02875	1.3
111.35314	0.3
119.04935	25.2
121.02880	0.8
127.03887	0.6
131.04869	0.4
147.04399	100.0
148.04721	1.3
153.01808	1.4
160.22728	0.4
165.01775	0.5
165.05473	3.3
181.04932	0.8
213.05452	0.5
233.09042	0.3
234.14699	0.3
241.04799	0.3
261.67154	0.3
262.79562	0.3
273.76581	0.3
287.05496	20.5
288.05911	0.5
291.08646	4.6
309.09689	1.2
309.16953	0.3
330.20795	0.4
416.14725	0.8
595.34583	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	31.8
55.30918	3.2
57.03424	10.3
57.07076	5.5
59.04987	14.6
63.42708	3.4
65.03903	7.6
67.05497	100.0
69.03434	4.5
69.07052	16.7
69.51777	34.2
71.04967	15.3
71.93251	3.5
79.05058	5.8
79.05487	57.7
81.03395	12.5
81.07052	70.2
83.04964	6.2
83.08606	12.0
85.06503	5.4
87.78896	5.2
91.05472	45.5
93.07040	62.5
95.04960	12.8
95.08608	48.0
95.90446	3.6
97.06508	5.3
97.10140	11.9
99.04459	7.2
101.65125	3.8
105.07017	35.3
107.04956	9.9
107.08578	33.9
109.06522	6.1
109.10144	48.7
117.07013	11.1
119.08564	27.2
121.10123	31.1
123.08093	5.8
123.11699	3.7
125.09632	11.0
125.10566	3.5
131.08588	20.6
133.04268	3.3
133.10123	13.1
135.11713	21.5
143.08540	5.6
145.10078	20.1
147.11671	10.5
149.09607	9.3
155.08473	6.0
159.11746	9.6
161.13260	4.7
163.11147	10.7
173.11768	6.1
173.13182	5.3
187.14862	7.2
199.14902	5.5
211.13272	10.1
225.14879	5.6
227.12814	6.9
241.14351	3.9
259.13159	5.2
259.15494	6.4
261.22003	8.7
315.18088	5.0
335.25812	11.5
363.25256	8.0
405.20328	4.6
451.31708	6.0
489.35748	48.6
543.36609	14.2
561.37665	7.9
575.39758	8.0
593.40100	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	593.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.5
55.01866	8.1
55.05511	37.6
57.03435	11.9
59.04987	11.5
65.03950	5.2
67.05508	100.0
69.03419	6.5
69.07079	21.8
71.04996	14.2
79.05488	66.8
81.03432	12.5
81.07064	72.0
83.04980	8.3
83.08622	16.4
85.06533	6.7
87.17620	3.6
89.60003	3.5
91.05470	46.1
93.07041	63.6
95.04982	12.0
95.08617	51.6
97.06535	12.0
97.10171	15.3
98.20754	5.7
103.05466	3.4
105.07029	34.7
105.13525	3.0
107.04961	9.9
107.08617	32.5
109.06532	6.1
109.10149	46.1
111.08051	6.2
116.06246	3.5
117.07028	15.3
119.08577	31.2
121.06492	4.2
121.10143	34.3
123.08073	6.3
123.11703	5.5
125.09616	10.8
128.06212	3.7
129.06958	4.8
131.08574	22.8
133.10126	19.2
135.08075	5.4
135.10805	3.1
135.11661	17.1
143.08569	11.5
145.10130	23.5
146.49738	3.1
147.04420	4.9
147.11702	12.9
149.09628	8.7
149.13274	6.3
157.10153	10.3
159.11720	7.9
161.13214	4.7
163.11198	8.2
171.11739	5.3
173.11815	6.2
173.13251	4.7
175.11200	4.0
185.13263	4.6
189.11250	3.8
191.10703	5.1
193.12253	9.3
199.13167	4.3
199.15112	3.6
211.13268	9.4
217.14325	4.2
225.14787	4.5
227.12814	12.1
229.14380	5.1
241.14528	5.7
259.15506	5.2
259.20847	4.8
261.22165	4.2
267.15857	7.0
277.21576	3.9
301.21680	4.6
315.17941	3.9
317.24609	3.6
327.23129	5.3
335.25793	13.0
346.22153	3.6
363.25394	7.0
423.26944	4.4
451.32019	7.8
489.35709	21.9
525.35919	8.6
536.58502	3.8
543.36737	21.9
561.37604	13.5
575.39124	10.3
587.26904	3.4
593.40277	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	593.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	5.6
55.05516	31.3
56.36061	4.6
57.03435	12.9
57.50446	5.3
57.98704	5.0
59.04993	18.6
67.05172	8.5
67.05507	100.0
69.03410	8.3
69.07059	23.9
70.18532	14.8
70.18943	9.1
71.04991	9.7
79.05489	59.5
81.03428	10.5
81.07059	65.4
81.38065	5.4
83.04973	8.4
83.08611	15.4
85.06556	8.6
85.80264	4.7
91.05481	40.5
93.07047	57.6
95.04980	11.2
95.08621	47.1
96.06693	5.3
96.89813	5.3
97.06518	13.0
97.10157	9.4
98.21417	6.5
105.07006	30.0
107.08615	35.8
109.10132	36.7
117.07004	11.9
119.08615	35.8
119.13161	5.3
121.10162	36.6
123.08143	6.6
123.11756	7.2
125.09665	13.5
129.06984	10.6
131.08568	26.5
133.10144	11.3
135.11707	22.7
137.09723	5.9
139.04465	5.5
143.08640	7.2
145.10136	16.0
147.11723	13.2
147.45532	5.5
149.09631	16.2
152.55772	5.2
157.10126	10.3
159.11693	9.7
163.11162	12.2
169.09981	5.2
173.11790	7.2
185.13153	6.4
187.14725	6.3
191.10597	6.9
195.11853	5.7
199.13243	5.8
203.42967	5.8
211.13271	7.8
214.66240	5.3
218.02017	5.2
218.27762	6.0
227.12857	11.0
259.15274	5.7
261.22098	10.7
277.21823	5.2
284.27841	5.3
289.14279	5.5
311.63376	7.0
315.17950	10.8
335.00543	5.7
335.25800	24.6
406.84586	5.7
489.35547	27.8
505.03302	6.5
514.34833	5.5
525.34973	5.5
543.36713	11.8
561.37946	7.6
575.39240	17.0
593.40039	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	14.8
55.01862	14.7
55.05516	55.8
57.03429	22.2
57.32183	5.8
59.05003	5.6
62.42695	4.8
65.03935	8.6
67.05507	88.3
67.16335	4.9
69.03419	12.9
69.07063	32.6
71.04996	12.3
71.58394	10.6
79.05486	80.8
81.03411	78.9
81.07051	100.0
83.04965	34.0
83.08613	33.1
85.02891	17.3
91.05473	72.3
93.07041	84.2
95.04963	51.7
95.08597	45.8
97.02903	12.8
97.06547	13.1
97.10157	33.4
102.24532	5.9
105.07017	54.5
107.04974	15.1
107.08595	37.5
109.02891	6.1
109.06518	17.3
109.10138	18.3
111.04420	15.5
111.08051	16.8
117.06980	16.1
119.08575	45.0
121.06549	8.1
121.10123	37.8
123.08064	45.0
123.11675	17.8
125.09592	36.5
126.43173	5.7
129.06993	21.4
131.08568	24.9
133.06451	11.4
133.10123	29.1
135.08032	12.5
135.11688	17.5
137.09616	9.3
143.08556	12.3
145.10100	18.2
147.11670	27.1
149.09633	9.7
149.13246	10.1
151.11049	6.7
157.10094	20.5
159.11688	13.3
161.09573	7.4
163.11217	10.1
165.09103	9.1
165.12723	9.8
169.12270	11.0
175.11191	17.3
177.12862	6.7
187.13205	9.2
189.11217	16.8
193.12271	33.4
201.90012	6.6
210.56424	5.3
211.13263	58.4
223.13240	9.7
227.12721	28.1
229.14407	7.7
267.15921	26.2
273.18497	41.2
275.20145	10.3
285.16849	38.8
291.19507	73.4
306.78662	5.6
355.31329	5.9
365.23245	24.3
376.81616	5.5
408.40106	5.7
437.25052	6.1
557.34619	22.3
563.03394	7.6
575.35278	31.6
593.33868	21.4
611.56110	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.5
55.01867	32.6
55.05511	42.5
57.03432	16.4
57.07050	4.9
65.03934	5.2
66.30827	2.8
67.05504	100.0
69.03410	11.0
69.07063	37.5
69.32479	2.7
71.01349	3.9
71.04993	11.8
71.40918	4.6
77.03976	2.8
79.05067	5.7
79.05493	83.9
81.03419	59.5
81.07058	90.0
83.04993	26.4
83.08631	29.3
85.02893	15.9
85.06527	7.7
88.67891	2.6
90.81919	2.8
91.05476	80.4
93.06476	5.4
93.07043	79.8
95.01376	3.7
95.04971	45.2
95.08602	45.1
96.03719	3.0
97.02876	7.9
97.06531	39.3
97.10168	17.3
99.08118	4.2
101.05969	3.2
105.07036	59.1
107.04956	25.6
107.08590	44.0
109.02866	4.3
109.06517	19.6
109.10168	29.8
111.04432	10.0
111.08052	12.8
116.04630	3.4
117.07001	23.7
119.08579	45.9
121.06480	14.2
121.10129	27.2
123.04414	4.1
123.08039	15.4
123.11687	7.1
125.09624	12.6
129.05472	8.0
129.06998	15.2
131.08565	25.6
133.06512	5.0
133.10118	36.2
135.08054	12.4
135.11673	20.9
137.09605	10.5
138.17177	2.9
139.07460	4.2
141.06966	3.3
142.07797	5.3
143.07051	3.9
143.08511	6.4
145.10133	17.1
147.08054	9.8
147.11674	24.8
149.09630	25.1
149.13228	6.5
151.11209	8.9
155.81976	3.4
157.08815	4.6
157.10129	19.1
159.08064	3.9
159.11623	14.3
161.09663	7.6
161.13252	5.6
163.11168	11.1
165.09103	3.4
165.12804	5.4
169.10120	5.2
171.11700	8.8
173.11798	4.5
173.13210	5.1
175.11243	14.3
177.12766	6.3
179.14240	3.1
181.12268	6.6
185.13240	4.9
187.11317	4.7
187.13182	3.0
189.11247	8.3
189.12775	3.1
191.47804	2.9
193.12234	27.3
195.13812	5.0
211.13290	30.7
227.12775	12.7
229.14305	3.6
239.18233	3.6
245.19055	5.8
247.20639	5.1
253.14380	3.8
257.18881	3.2
263.20108	6.2
267.15985	14.5
273.18524	20.8
275.20053	36.2
285.16956	19.0
291.19574	31.5
293.21066	4.0
301.16360	11.3
306.13367	2.9
309.20444	5.1
347.22104	4.8
349.23679	13.5
365.23199	13.1
389.96353	3.7
557.34851	4.8
575.35852	21.0
593.33136	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	593.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.1
54.36157	3.3
55.01866	13.3
55.03706	3.1
55.05511	40.2
57.03434	15.4
65.03926	5.8
67.05502	93.9
69.03427	14.2
69.07072	35.9
71.04997	9.3
71.57975	3.3
71.58350	5.3
79.05492	79.0
81.03417	79.7
81.07054	100.0
83.04987	27.4
83.08622	17.4
85.02908	16.3
85.06525	7.9
91.05473	74.2
93.07043	82.6
93.50298	3.5
95.04970	37.9
95.08605	44.6
97.02890	9.8
97.06520	21.1
97.10167	12.1
99.08116	4.5
105.07026	55.3
107.04945	13.9
107.08596	55.7
109.02889	6.6
109.06525	12.4
109.10137	29.4
111.04469	7.5
111.08064	10.1
115.05473	4.5
117.07004	16.9
119.08601	34.3
121.06496	9.0
121.10117	20.3
123.04399	4.2
123.08035	8.4
123.11770	4.2
125.09651	3.7
127.03921	6.9
129.07014	14.0
131.08585	28.6
133.06483	10.8
133.10110	46.0
135.08034	10.5
135.11693	38.1
137.05966	4.7
139.07439	3.5
143.08588	7.4
145.10152	16.6
147.08064	10.1
147.11679	18.6
149.09607	11.8
149.13260	13.3
150.14551	3.3
151.11185	15.7
157.10184	10.0
159.08107	5.0
159.11723	12.3
161.09575	9.7
161.13309	4.0
163.11157	8.4
165.12764	3.4
169.12318	3.8
175.11221	14.2
177.09102	5.3
177.12799	5.0
181.10161	4.0
181.12239	9.8
183.11771	4.3
189.12753	4.8
193.12277	31.8
195.13863	8.3
211.11501	5.8
211.13315	34.9
245.19017	7.6
253.14293	16.8
253.41336	3.9
255.15765	6.5
263.20020	6.8
267.15903	12.2
273.18445	28.5
285.17032	18.4
291.19519	50.4
309.20404	6.4
339.17880	7.4
347.22125	4.5
365.23227	20.1
431.27863	3.9
449.28900	7.8
557.34326	8.5
575.36157	20.5
593.24054	6.1
593.33099	61.1
620.49683	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	593.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
60.17075	0.4
65.41814	0.4
69.09325	0.5
71.31954	0.8
73.35140	0.5
134.45842	0.5
157.64185	0.4
166.54477	0.4
167.91696	0.4
189.18048	0.5
198.48691	0.5
280.40079	0.5
388.16696	0.9
389.17789	1.2
390.18936	0.6
401.17776	1.2
402.18152	1.4
403.19257	5.0
404.20181	1.1
405.20883	2.2
416.19937	1.4
417.16306	1.2
417.21378	5.1
418.21863	2.4
419.22516	4.7
420.23462	0.6
430.18011	1.5
431.18130	10.4
431.23584	0.8
432.18701	2.8
433.24182	9.3
434.24811	1.8
439.63904	0.5
445.19992	11.7
446.20792	5.2
447.21704	6.1
449.23419	0.7
459.21307	4.2
460.22556	15.8
461.23273	14.7
463.21445	0.8
473.23608	2.6
474.24133	1.1
476.25632	1.1
477.22488	0.9
487.25015	1.1
489.26685	0.9
491.24509	1.7
492.25061	1.3
505.21823	5.9
509.55838	0.5
518.23151	0.8
519.23834	0.9
533.25488	53.2
534.25885	1.5
564.23975	1.0
593.27576	100.0
594.27856	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2748
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
66.24119	0.7
101.28924	0.8
101.72842	0.8
114.57771	0.7
144.38667	0.8
387.16187	1.0
389.17563	1.1
402.18185	1.6
403.19025	4.4
404.20105	2.0
405.20856	2.7
417.16226	1.8
417.20886	3.8
418.21317	2.7
419.22455	3.9
430.17883	1.6
431.18283	9.5
432.19424	3.2
433.24084	7.1
434.24506	1.8
445.19958	11.2
446.20834	6.6
447.21588	7.2
459.21674	4.7
460.22568	17.0
461.23340	15.6
473.23764	1.2
474.23996	1.3
476.25876	1.4
487.25125	2.0
489.26517	1.7
491.24350	1.8
492.25183	2.2
505.21899	7.8
518.22858	1.1
519.23785	1.2
533.25464	35.8
534.25983	2.4
561.24762	1.1
564.24524	1.2
565.27972	1.3
579.87952	0.9
593.27533	100.0
594.27716	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.7
57.43904	0.4
69.03426	0.5
70.13798	2.0
78.80929	0.3
79.01838	2.7
81.03420	3.1
85.02907	0.8
89.14718	0.3
97.02896	1.4
98.21452	0.5
99.38168	0.4
109.02850	2.2
125.02353	1.7
127.03907	83.0
128.04230	0.8
143.03407	5.4
153.01816	100.0
171.41902	0.4
173.64124	0.4
297.05994	3.6
305.02881	12.4
315.07153	1.2
323.03967	0.7
449.06818	1.3
593.21191	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	593.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
64.85918	0.4
64.86305	0.5
65.03941	0.5
69.03412	0.7
69.32765	1.0
69.33097	5.2
70.31218	0.5
79.05483	0.7
80.13231	0.5
81.07043	0.6
85.02879	0.7
87.26282	0.4
101.46267	0.6
105.07012	0.5
109.06506	0.5
113.02201	0.5
120.23468	0.6
128.51933	0.4
135.73743	0.5
137.05980	0.6
153.01880	1.0
171.02806	0.6
185.04248	0.9
187.11241	0.7
189.05223	7.4
201.03697	1.1
215.10483	0.6
216.48396	0.5
218.67429	0.5
219.06322	1.0
233.08069	0.5
234.08736	2.2
251.13014	0.6
263.08948	1.1
263.96970	0.5
303.05099	0.6
367.13696	1.9
377.12115	1.1
381.11533	7.3
382.12256	0.7
387.59854	0.5
395.13040	2.7
396.13837	9.4
397.15063	0.6
431.16928	0.9
545.19983	0.7
593.22015	100.0
594.22131	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	592.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01872	3.4
55.05494	6.3
56.05029	2.3
60.04525	2.9
62.09679	1.8
67.05505	15.3
69.03414	5.5
69.07058	6.2
69.66453	5.3
69.66864	8.2
71.04972	3.0
79.05132	1.7
79.05500	17.0
81.03368	2.1
81.05769	2.9
81.07053	12.9
82.06577	3.0
83.08604	4.5
85.06565	2.5
91.05472	9.0
93.07037	28.4
94.06573	17.6
95.04959	5.8
95.08607	20.1
97.06520	7.4
98.21497	3.1
105.07034	13.3
106.01039	1.9
107.04932	2.1
107.07333	1.8
107.08557	2.5
109.10191	3.9
110.09695	10.9
110.10309	1.9
111.08080	13.9
121.10115	2.6
122.09680	36.1
123.08083	28.9
128.10713	33.2
140.10704	100.0
141.09091	11.6
158.11765	8.0
253.30864	2.5
272.25809	8.2
291.19473	2.5
292.19934	1.9
364.32141	2.8
382.33044	6.8
394.33212	16.5
412.34174	49.6
574.33990	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	593.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.7
57.43904	0.4
69.03426	0.5
70.13798	2.0
78.80929	0.3
79.01838	2.7
81.03420	3.1
85.02907	0.8
89.14718	0.3
97.02896	1.4
98.21452	0.5
99.38168	0.4
109.02850	2.2
125.02353	1.7
127.03907	83.0
128.04230	0.8
143.03407	5.4
153.01816	100.0
171.41902	0.4
173.64124	0.4
297.05994	3.6
305.02881	12.4
315.07153	1.2
323.03967	0.7
449.06818	1.3
593.21191	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	591.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.7
55.01872	30.9
55.05276	3.6
55.05514	52.5
57.03431	12.2
57.07072	10.6
59.04992	6.1
59.16380	3.2
64.76866	2.8
67.05503	76.9
69.03429	18.5
69.07073	54.7
70.04745	2.7
70.23462	3.5
71.04984	7.7
71.58532	6.2
71.62047	2.7
79.05492	79.9
80.29755	3.3
81.03428	23.7
81.07053	65.0
82.04225	4.3
83.04993	18.8
83.08611	24.3
85.02929	5.9
85.06531	3.7
91.05473	56.8
93.07053	50.0
95.04964	30.0
95.08599	32.0
97.02892	8.9
97.06514	19.9
97.10159	19.2
98.07277	4.1
105.07026	37.3
107.04950	24.6
107.08598	34.7
109.02827	4.0
109.06503	12.7
109.10158	31.6
111.04467	7.7
111.08070	11.1
117.07011	19.6
119.08582	31.3
121.06522	11.8
121.10148	23.9
123.08041	16.0
123.11695	6.3
125.09612	23.0
128.06279	5.7
129.06998	7.2
131.08591	15.8
133.06502	4.4
133.10110	21.5
135.08055	14.1
135.11684	15.8
137.09636	9.6
143.08565	9.0
145.06480	4.1
145.10135	18.7
147.08054	12.2
147.11705	10.4
149.09605	13.4
149.13264	7.1
151.11176	5.6
153.09113	4.6
157.10115	7.6
159.08105	4.1
159.11758	6.1
161.09642	9.4
162.10503	3.5
163.11189	18.6
165.09099	5.9
171.06517	5.4
171.11685	5.3
173.09528	3.8
173.11790	5.1
175.11140	13.6
181.12138	3.7
189.11212	9.3
193.12224	9.1
209.11728	7.5
211.13242	3.9
223.13220	17.2
227.12772	10.0
249.14960	4.5
273.18484	28.0
283.15466	21.0
291.19531	100.0
307.18823	4.1
331.07410	3.6
347.22220	5.0
352.25616	4.1
365.23218	11.3
421.25720	7.9
433.27341	3.3
477.29208	6.5
513.75543	3.9
519.32751	7.0
535.93384	3.7
545.35278	4.2
573.33832	14.9
591.35132	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.5
55.01870	23.3
55.05506	43.3
57.03434	14.7
65.03941	6.3
67.05507	58.2
69.03427	5.3
69.07064	18.4
71.04987	11.2
71.58217	9.8
75.87372	4.4
79.05492	59.3
81.03417	25.5
81.07063	80.2
83.01349	9.0
83.04990	24.3
83.08610	17.7
85.02865	5.6
85.06565	6.9
89.06042	4.7
91.05482	63.9
93.07040	66.4
95.04987	27.0
95.08604	50.8
97.06513	12.8
97.10166	9.0
105.07019	53.4
107.04966	20.0
107.08598	44.5
109.06551	23.0
109.10163	33.6
111.04381	10.0
111.08084	11.1
117.07019	15.5
119.08585	27.8
121.06511	19.2
121.10143	20.9
123.04446	5.6
123.08110	11.4
125.06019	7.6
125.09644	8.0
129.07025	11.5
131.08569	23.3
133.06506	12.1
133.10146	40.8
135.08025	12.5
135.11662	23.7
137.09563	5.9
139.07524	10.4
143.08545	11.4
145.10106	28.2
147.08049	11.2
147.11681	15.7
149.09621	10.0
151.11176	18.1
157.10170	7.3
159.11734	6.6
161.09625	15.5
163.11174	32.4
165.09140	5.4
169.12218	6.3
171.11690	10.8
173.09642	10.6
175.11183	10.5
177.09100	6.0
177.12686	5.7
181.12173	9.7
184.31895	5.1
189.12788	6.1
191.10722	8.9
223.13232	6.3
227.12639	6.5
245.19014	14.6
253.14352	24.3
255.17464	5.1
263.20047	12.0
273.18463	58.6
283.15356	64.7
291.19528	100.0
309.20596	5.8
347.22028	6.4
349.13968	4.7
365.23273	36.1
372.06775	4.6
479.26392	8.8
573.33923	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	591.28
Annotation	7'-[1-(acetyloxy)ethyl]-7'-deoxo-2'-deoxy-3',4'-dihydroxyverrucarin A
Peak:m/z	Relative Intensity
53.03934	3.8
55.05503	10.7
55.86673	2.3
57.03441	3.2
60.14545	2.4
65.03944	4.0
67.05503	19.2
69.03416	7.6
69.07070	6.8
70.00574	12.0
71.04970	3.1
79.01841	3.2
79.05490	18.4
79.58648	2.5
81.03414	12.7
81.07051	24.0
83.04990	6.4
83.08617	7.9
85.02891	6.6
85.06564	3.0
91.05492	15.2
93.07030	23.1
94.06586	3.3
95.04959	6.6
95.08595	15.1
97.02884	8.8
97.06538	6.6
97.10179	4.5
98.20760	3.5
99.04437	4.0
105.07028	21.6
107.04953	7.1
107.08598	18.3
109.02893	8.4
109.06532	4.1
109.10174	14.6
111.08023	6.1
113.09625	4.5
117.07044	4.1
119.08584	20.6
121.06518	6.3
121.10121	17.0
123.08055	4.2
123.11718	6.7
125.02366	4.5
125.09562	5.2
127.03908	10.9
131.08601	5.2
133.10146	34.5
135.08072	4.9
135.11690	8.3
137.05937	4.5
137.09624	20.5
139.11195	4.5
140.10728	5.5
141.11034	3.1
143.08585	3.5
145.10117	7.4
147.08069	4.8
147.11659	7.0
149.02348	6.2
149.09581	4.5
151.11171	10.9
153.01831	100.0
159.11699	4.0
161.09573	4.7
161.13263	4.4
163.11142	5.2
165.12759	3.0
171.02853	8.5
175.11121	4.5
175.14839	13.1
186.58072	3.2
189.12784	2.7
193.15886	3.3
199.14767	3.1
201.16302	5.2
203.14244	4.6
217.15865	3.6
259.20517	18.2
273.18478	3.8
275.20056	4.0
276.16302	2.9
277.21606	62.6
279.45383	2.8
303.05072	6.1
315.07205	7.3
424.63953	2.8
591.33179	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	589.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
54.47154	0.9
55.01826	0.9
55.05508	5.0
57.03425	3.0
67.05504	4.8
69.03442	2.2
69.07055	1.7
71.08658	1.1
71.38123	1.8
79.05487	5.7
81.03402	4.0
81.07051	44.2
83.04977	2.3
83.08638	1.2
85.02885	3.9
91.05460	3.1
93.07041	3.3
95.04962	2.0
95.08606	4.8
97.02881	4.0
97.06514	2.8
99.04459	1.2
99.08089	54.4
105.07016	1.8
106.70762	0.9
107.04938	1.6
107.08584	2.9
109.02862	4.2
109.06521	1.5
109.10159	2.1
111.04453	1.5
117.07014	1.3
119.08575	2.8
121.02872	3.1
121.10115	2.0
123.08076	1.2
127.03902	3.2
131.08507	1.2
133.06488	1.5
133.10139	2.2
135.11752	1.2
137.05934	2.0
137.09644	1.8
139.07527	2.0
141.09097	2.2
145.10127	1.7
147.04300	1.5
151.85164	0.9
153.01823	10.9
154.41074	0.9
159.10194	8.9
159.11438	1.7
167.07031	1.2
175.07581	1.7
199.59807	1.1
215.18353	1.1
219.13606	1.0
263.51147	1.0
267.12134	1.4
285.13409	3.2
287.05487	100.0
288.05927	1.5
329.06592	3.4
406.51974	1.1
431.10077	1.0
453.44080	1.2
589.28961	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.1
67.05487	11.2
71.57985	4.7
71.58498	5.2
79.05485	13.6
81.07047	20.0
82.06583	39.3
85.02902	8.3
87.29111	5.9
93.07043	16.5
94.06577	41.6
95.04972	7.1
98.09665	7.9
120.08086	13.6
126.09189	27.1
138.09152	100.0
156.10248	7.8
206.12729	4.8
341.08649	5.5
374.30685	9.6
380.31580	6.7
400.42624	5.3
410.32553	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.2
53.03930	1.9
54.70568	0.9
55.01868	1.7
57.03419	1.6
67.49955	0.8
68.99793	1.9
69.03429	11.3
70.06605	1.4
71.04968	1.0
71.53027	1.1
79.01850	4.9
81.03416	13.4
81.07043	1.1
85.02897	5.0
86.68997	0.8
91.05471	1.5
95.04971	2.1
97.02885	19.4
99.04447	1.5
107.04844	1.0
108.86012	0.9
109.02869	9.1
111.00805	1.5
115.85483	0.8
121.02866	1.8
121.06548	0.9
125.02350	78.7
126.02667	1.0
127.03911	6.0
130.14255	0.9
137.02350	4.0
137.05954	1.6
143.03406	6.5
145.04924	1.9
153.01834	9.0
156.96783	0.9
161.06073	0.9
163.03918	1.3
165.01892	1.5
183.02888	1.1
201.05455	2.7
205.05023	1.3
229.04974	4.6
251.05554	2.8
257.04514	3.2
266.15143	1.0
269.06567	24.9
269.09167	0.8
273.80573	0.9
274.04739	1.1
285.03918	1.4
287.07745	2.3
303.04984	100.0
304.05310	3.3
423.97656	0.8
588.40509	3.2
589.23761	1.8
589.40991	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	588.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46626	1.0
54.42194	1.1
68.48214	0.9
69.83690	1.1
71.57510	1.5
79.05484	3.3
83.05000	1.0
85.02888	2.1
91.05462	3.3
93.07085	1.1
95.03810	1.1
95.04913	1.2
103.05483	4.8
105.07030	13.8
107.04953	3.6
109.06491	1.1
115.05392	1.3
118.04141	4.8
119.04926	3.5
121.06504	1.7
123.60162	1.0
131.04941	6.0
133.02853	4.8
133.06479	11.7
135.04431	1.0
135.08055	3.8
137.05956	6.2
140.05333	1.2
147.04385	2.1
149.05959	2.5
150.06772	8.7
151.07520	2.6
153.01823	1.9
161.05971	4.4
163.07498	8.5
165.09122	10.3
167.07036	7.1
179.07037	3.6
193.08597	48.7
211.09656	100.0
224.25952	1.1
227.63818	1.0
242.62047	1.0
293.32861	1.1
311.95508	1.2
347.94305	1.2
361.16638	1.5
418.56387	1.1
533.35724	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.0
55.05500	3.1
57.03436	0.7
64.35693	0.7
67.05495	3.2
69.03409	2.4
69.07059	3.2
70.06571	1.0
71.08640	4.8
71.58135	1.1
72.08138	1.8
79.05479	2.7
81.03407	1.5
81.07050	4.3
83.04929	0.8
83.08619	2.4
84.08138	1.5
85.02897	3.1
86.06054	4.9
91.05463	2.1
92.05829	0.9
93.07043	1.8
95.04940	1.8
95.08596	2.8
96.08121	2.6
97.02879	2.0
97.06511	2.0
97.10168	1.1
98.09693	2.1
99.08087	3.3
105.07045	1.2
107.04900	0.7
107.08590	1.3
108.08085	1.2
109.02846	1.4
109.10144	1.4
111.57031	0.7
116.10733	19.4
119.08540	1.1
121.10172	0.8
122.09636	1.2
124.07620	0.7
127.03899	2.2
131.08572	1.1
132.97119	0.7
143.10663	2.1
149.13249	3.2
154.15897	2.0
166.15907	2.7
167.14301	1.3
178.15915	1.7
196.16977	7.6
214.18019	100.0
215.18315	1.3
231.15862	6.8
310.23856	1.8
328.24860	5.3
376.23260	15.2
408.30908	2.1
426.32077	4.9
490.29565	1.0
588.37592	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	23.4
69.99541	28.6
69.99946	19.4
70.06592	9.1
79.05475	10.2
81.03417	19.5
85.02899	19.5
86.09676	11.9
91.05467	17.9
97.02878	11.1
98.20688	9.6
103.05467	11.8
105.07047	26.1
107.04929	82.6
117.43239	9.6
119.04960	11.6
121.06491	15.3
127.03857	10.2
131.04916	22.5
133.02840	20.6
133.06497	22.6
135.08043	24.6
137.05956	32.7
147.04324	17.9
149.05992	15.9
151.07535	21.0
153.01799	16.9
161.06013	16.1
163.07532	84.6
163.29370	8.8
167.07010	100.0
179.07043	26.0
181.08574	35.4
193.08589	38.5
195.10172	51.0
207.10199	13.0
211.09573	43.9
213.11047	41.9
218.36641	9.4
270.68677	8.6
274.54764	9.6
277.29575	8.4
287.05408	9.3
320.74219	8.9
329.10367	10.6
381.40884	10.4
390.12646	10.3
394.14249	8.4
556.73291	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50787	3.6
70.06583	4.0
70.94575	14.1
71.04970	6.0
76.25330	4.1
79.05505	5.2
85.02929	6.4
89.07999	3.8
91.05479	8.6
93.06989	5.7
103.05466	8.4
105.07048	4.3
106.04203	6.0
107.04940	11.2
109.02853	6.7
110.96348	4.3
121.06529	10.8
123.04429	4.9
127.03876	6.3
131.04936	6.6
131.08595	4.5
134.06068	4.8
137.05925	8.0
148.05101	5.0
149.06006	8.3
151.07469	4.7
153.01889	5.5
153.09071	4.9
161.05969	82.1
161.09644	14.6
163.07562	15.5
167.07036	26.2
174.06671	4.9
174.09096	5.5
177.05441	9.0
181.08614	21.0
189.09102	49.4
191.07005	12.1
193.08635	7.8
202.08559	7.5
207.10178	100.0
209.08080	19.4
218.11758	8.6
254.08334	4.3
317.14059	6.0
343.15436	8.1
357.14453	4.3
361.16394	46.7
373.16177	5.9
426.17706	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	588.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17031	2.7
63.07631	2.3
79.05486	8.5
85.02886	3.2
91.05471	7.6
98.20705	5.6
103.05471	6.2
105.07007	16.0
107.04932	7.9
109.02815	2.6
118.04187	3.5
119.04939	5.3
124.70716	2.4
127.03928	5.0
131.04913	7.3
133.02846	4.9
133.06502	14.2
135.08052	7.9
137.05965	8.3
147.04350	4.4
149.06001	4.6
150.06741	8.1
151.07494	5.1
153.01834	7.0
161.05988	4.5
163.07530	12.9
165.09085	11.2
167.07045	16.7
178.93663	2.3
179.07030	4.4
193.08589	51.7
195.10081	5.0
211.09645	100.0
213.11256	6.3
249.20924	2.2
290.82248	2.7
331.41632	2.1
341.13815	2.8
361.16483	2.6
565.79626	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	587.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.3
55.01868	7.4
55.05512	33.6
57.03429	10.2
57.07084	3.3
65.03941	5.7
67.05508	100.0
69.07067	21.6
69.30088	2.8
69.30392	28.4
71.01346	6.1
71.04999	3.9
78.66532	2.0
79.05493	65.0
81.03423	33.4
81.07055	74.8
83.04967	7.9
83.08636	15.3
85.06545	3.6
91.05488	42.9
93.07043	67.1
95.04970	78.6
95.05568	5.1
95.08614	49.8
95.49687	2.3
97.06534	5.2
97.10201	11.8
98.21535	4.9
103.05464	3.1
105.07040	35.6
107.04949	18.3
107.08600	37.3
109.02885	15.2
109.06517	9.5
109.10153	26.0
111.04451	3.0
111.08078	4.0
111.32841	2.6
117.06998	14.5
119.08576	26.0
121.06534	8.1
121.10150	22.0
123.03568	5.3
123.04430	84.0
123.08110	5.0
123.11732	3.8
125.09672	9.4
129.07022	11.1
131.04953	5.2
131.08592	15.3
133.06473	4.1
133.10091	14.4
135.08067	7.3
135.11696	24.5
137.05971	4.3
137.13217	3.1
141.07010	3.4
143.08566	10.0
145.06548	4.9
145.10114	27.4
147.08055	9.4
147.11681	14.8
149.09633	5.2
149.13292	5.5
153.09113	7.5
155.08549	6.3
157.10161	4.1
159.11722	9.6
161.09624	2.6
161.13268	6.8
163.11168	19.8
169.10168	4.5
171.11670	12.6
173.09541	12.0
175.11192	3.8
183.11693	2.7
185.13292	2.9
187.14815	5.5
189.11263	4.2
189.12787	15.7
191.10689	8.2
199.11211	7.0
205.12045	2.9
207.13843	15.7
209.13458	2.8
217.12267	9.1
227.12781	3.7
228.68643	2.8
235.13298	87.7
235.15601	5.2
236.13539	3.0
243.21063	2.8
253.14137	4.4
261.22211	7.8
301.21829	3.1
309.16974	63.9
335.25809	99.1
345.31387	2.4
477.33511	3.8
495.34528	3.1
513.36627	2.8
551.37463	3.5
569.38330	51.1
587.39618	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	587.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39680	3.1
53.03948	8.6
53.09827	2.3
55.01864	8.3
55.05267	2.7
55.05512	30.7
57.03441	15.0
57.07069	3.4
58.72777	2.6
59.65875	2.3
64.91382	2.7
65.03939	6.4
67.05502	96.7
69.03432	3.6
69.07066	22.0
71.01359	5.3
71.04948	3.1
79.05492	64.3
81.03407	34.3
81.03847	3.4
81.07050	71.9
83.04964	8.9
83.08605	15.6
91.05475	50.3
93.07038	58.2
95.04965	91.7
95.08607	46.0
97.06543	3.0
97.10146	12.5
98.21525	5.6
105.07021	28.2
107.04942	23.7
107.08574	37.7
109.02877	14.2
109.06516	10.6
109.10159	25.4
111.08092	3.2
112.98956	2.4
115.05427	3.2
117.07001	17.0
119.08565	22.9
121.06490	8.7
121.10139	25.6
122.15279	2.5
123.04422	84.1
123.08054	4.3
123.11722	6.2
125.09628	6.3
129.07030	14.6
131.04930	3.9
131.08540	19.7
133.06462	4.9
133.10175	18.7
135.08038	8.8
135.11690	18.9
137.05963	4.2
141.07103	2.8
142.07831	2.8
143.08536	12.7
145.06462	5.0
145.10129	28.8
147.08032	14.7
147.11674	8.4
149.13275	6.1
151.11177	3.4
153.09114	7.7
155.08591	4.4
157.10127	7.2
159.08020	3.1
159.11694	8.3
161.09558	2.9
161.13258	5.1
163.11176	28.4
163.14857	3.1
171.08145	3.0
171.11697	13.3
173.09592	12.9
173.13181	3.9
189.11230	4.7
189.12746	14.2
191.10710	7.2
197.13284	2.8
199.11194	6.2
207.13797	18.0
217.12180	9.1
235.13286	100.0
243.21283	3.9
261.22052	8.3
309.16882	56.1
335.25766	88.7
477.33411	4.0
495.34583	6.7
513.35815	3.8
569.38257	58.3
587.39270	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	587.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04073	2.0
53.03932	6.4
55.01861	5.7
55.05508	27.6
57.03434	13.0
57.07045	2.9
65.03933	5.6
67.05502	77.1
67.79980	1.8
69.07056	14.6
71.01357	4.5
71.04983	5.4
71.31931	4.3
79.05488	61.1
81.03413	32.0
81.07058	67.3
83.04977	9.0
83.08611	11.4
85.06534	3.0
91.05479	43.0
93.06477	3.7
93.07041	60.8
95.04962	67.8
95.08607	48.0
97.06517	6.3
97.10155	9.6
105.03408	2.3
105.04562	2.2
105.07030	33.8
107.04939	15.9
107.08578	28.2
109.02903	11.0
109.06512	9.6
109.10150	21.2
111.08090	4.3
115.05339	2.5
117.07011	16.6
119.08569	25.3
121.06476	6.6
121.10119	24.1
123.04426	77.3
123.08056	4.2
123.11711	6.6
125.09614	7.4
128.06215	2.2
129.06999	10.8
131.04907	3.5
131.08551	18.1
133.06487	3.6
133.10141	12.2
135.08072	8.0
135.11690	18.9
137.05992	5.0
137.09587	2.5
141.06993	3.6
143.08563	9.6
145.06511	3.7
145.10106	24.0
147.08046	8.5
147.11707	10.5
149.09616	4.8
149.13277	5.5
153.09142	7.0
155.08566	5.1
157.10051	4.1
159.08095	2.7
159.11685	6.9
161.09612	4.2
161.13254	4.8
163.11168	18.9
169.10158	3.1
171.11678	13.2
173.09647	11.2
173.13287	6.1
187.14819	3.7
189.11241	2.3
189.12692	10.8
191.10687	8.8
199.11214	5.3
201.16397	2.2
207.13826	16.3
217.12277	12.7
235.13271	94.4
243.21214	4.1
253.14439	4.1
259.87994	2.6
261.22137	11.0
273.14874	3.4
309.16946	55.3
335.25787	100.0
336.26166	2.9
387.38831	2.0
411.37296	2.4
477.33798	3.7
495.34439	3.4
551.37115	4.3
569.38361	47.4
570.38580	3.5
587.39240	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	587.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37582	3.7
53.03954	8.1
55.01859	9.0
55.05511	26.9
56.61391	3.3
57.03433	11.8
67.05500	85.9
69.03423	4.7
69.07069	21.1
71.01353	4.2
71.04985	3.7
71.57617	4.3
71.57990	3.9
72.62524	3.4
78.03368	4.0
79.05492	61.4
81.03395	23.1
81.07056	68.2
83.04971	7.2
83.08617	13.0
89.02373	3.7
89.65617	4.2
91.05476	47.3
93.07037	49.1
95.04965	63.8
95.08604	41.5
97.06540	6.6
97.10175	12.6
105.07024	27.0
107.04956	16.1
107.08594	27.7
109.02885	13.2
109.06532	8.1
109.10155	22.1
111.07127	4.4
111.08010	4.8
117.07007	17.0
119.08585	25.2
121.06510	6.1
121.10159	23.6
123.04423	81.1
123.11704	4.7
125.09657	10.8
128.06276	4.9
129.07005	11.2
130.96217	3.8
131.08585	17.6
133.06496	5.0
133.10109	16.4
135.08060	9.1
135.11736	20.7
135.36058	4.1
143.08572	11.3
145.10110	24.5
147.08040	10.4
147.11658	7.2
149.06004	4.9
149.09659	8.4
149.13310	5.1
157.10156	5.8
159.11711	13.0
161.13269	6.7
163.11159	17.3
171.11670	8.8
173.09628	10.7
173.13319	7.0
175.11182	6.7
175.14932	4.0
187.14810	3.7
189.11290	3.7
189.12825	10.5
191.10622	7.1
198.60869	3.6
207.13821	14.1
211.01920	4.0
215.23178	4.5
217.12210	10.7
227.12930	4.7
235.13283	100.0
253.14334	5.3
261.22278	6.8
273.14822	8.0
308.88632	4.2
309.16962	55.1
335.25818	62.0
454.02982	3.9
459.32819	4.8
477.33850	6.7
495.34396	7.6
551.37158	5.9
569.38403	62.0
587.39374	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	587.3211
Annotation	5-Oxoavermectin ''2b'' aglycone
Peak:m/z	Relative Intensity
53.03931	11.7
55.01861	12.6
55.05276	3.2
55.05514	35.2
57.03428	7.2
57.07064	3.1
59.05003	3.9
65.03931	5.2
67.05505	72.9
69.03425	5.8
69.07066	23.2
70.25723	5.0
70.26095	6.2
70.93360	3.2
71.04983	8.7
73.09420	2.9
79.05492	60.5
81.03419	38.3
81.07059	79.0
83.04957	4.5
83.08618	15.5
85.06535	5.4
86.32569	3.2
90.89820	3.4
91.05478	54.9
93.07043	55.0
95.04966	60.6
95.08619	28.7
97.02893	3.9
97.06525	12.3
97.10180	16.3
99.08106	3.7
103.05428	7.2
105.07014	36.1
107.04950	19.3
107.08569	28.2
109.02882	15.6
109.06503	8.4
109.10170	6.5
111.08014	3.0
115.05418	15.7
117.06995	26.2
119.04943	8.3
119.08570	20.2
121.02875	7.0
121.06493	13.2
121.10133	16.1
123.04433	3.4
123.08109	4.7
123.11691	8.0
125.09613	10.4
128.06236	5.0
129.07004	20.4
130.52927	2.9
131.04968	19.1
131.08556	20.7
133.06497	20.2
133.10204	15.2
135.04404	5.6
135.08037	7.6
135.11708	11.9
137.02309	6.1
137.05948	4.7
141.07001	7.1
143.08566	12.6
145.06488	26.6
145.10095	6.9
147.04440	15.2
147.08028	9.1
147.11708	9.2
149.06013	6.8
149.13235	12.9
155.08554	8.3
157.06479	9.9
159.08064	10.5
159.11693	6.9
160.05183	7.3
161.05923	27.4
161.09613	8.9
163.11180	6.7
165.06998	5.5
167.08556	7.2
169.06458	4.7
169.10216	4.7
171.04424	6.4
171.08105	8.9
171.11665	5.1
173.05939	25.1
173.09586	5.9
174.06786	10.6
175.07523	5.0
175.11090	3.8
177.12654	3.4
179.08516	4.2
181.06422	5.0
181.10107	5.9
183.08076	11.1
185.05945	5.7
185.09651	7.7
187.07474	15.5
189.05466	35.6
189.09052	3.4
189.11214	6.1
189.12733	3.4
190.06311	3.2
191.10663	3.4
195.08064	3.7
195.11894	4.1
195.13823	8.4
197.06004	4.1
199.07506	5.7
200.08417	3.2
201.09099	5.0
201.12567	4.2
203.10646	4.0
207.11690	3.9
211.11032	3.9
213.12770	3.2
229.12274	4.0
237.12881	4.1
243.13753	3.5
245.15608	4.4
255.13782	9.1
257.15417	8.2
269.17490	22.6
271.13391	3.7
273.14828	34.9
283.13248	14.2
285.14865	13.6
289.14291	4.6
301.14316	100.0
303.15979	9.5
319.15353	18.2
325.17810	4.0
331.15521	5.6
357.16724	4.8
359.18417	4.0
375.18033	19.1
393.18771	3.8
431.25607	5.2
449.27097	4.3
467.27457	3.7
477.26260	6.0
485.28687	3.6
495.27405	7.3
509.28671	3.2
527.29486	6.8
533.27673	3.4
539.29871	3.6
541.31482	6.7
551.29541	6.0
557.31262	22.3
569.31110	63.7
587.23181	5.9
587.32117	91.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	2.9
53.03937	5.6
55.01865	9.2
55.05503	5.8
56.82242	2.4
67.05489	9.6
68.49442	2.3
69.03434	18.1
69.07051	7.1
70.06591	7.6
71.04968	2.4
71.58044	3.3
72.08139	4.8
79.05490	53.6
81.03418	12.7
81.07061	11.9
83.04964	3.1
83.08613	3.7
85.02894	11.5
86.09682	7.7
91.05489	28.1
93.07047	41.0
95.04969	20.7
95.08610	4.5
97.02889	11.9
97.06506	5.6
99.08122	2.3
105.07018	7.3
107.04955	3.8
107.08584	6.5
109.02866	7.7
109.06480	4.1
111.04486	3.4
111.08065	8.7
119.08598	3.1
121.02873	10.1
121.06499	21.1
121.10088	2.9
125.02382	3.5
127.03890	11.2
128.06219	2.5
131.08531	2.7
133.06410	2.7
133.10135	3.0
135.08083	3.1
136.07584	6.6
137.05954	9.7
139.06511	5.0
139.07535	64.5
139.08597	3.4
143.03374	4.3
145.06404	5.8
149.05971	3.8
153.01823	59.9
157.10083	2.9
167.07048	10.1
181.08649	2.9
183.02881	2.8
287.05505	100.0
299.05789	2.9
303.04941	4.9
304.05429	5.3
305.05545	9.5
311.05560	3.3
360.15164	2.6
448.18362	3.5
569.31030	3.8
587.23492	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	587.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	2.9
53.03937	5.6
55.01865	9.2
55.05503	5.8
56.82242	2.4
67.05489	9.6
68.49442	2.3
69.03434	18.1
69.07051	7.1
70.06591	7.6
71.04968	2.4
71.58044	3.3
72.08139	4.8
79.05490	53.6
81.03418	12.7
81.07061	11.9
83.04964	3.1
83.08613	3.7
85.02894	11.5
86.09682	7.7
91.05489	28.1
93.07047	41.0
95.04969	20.7
95.08610	4.5
97.02889	11.9
97.06506	5.6
99.08122	2.3
105.07018	7.3
107.04955	3.8
107.08584	6.5
109.02866	7.7
109.06480	4.1
111.04486	3.4
111.08065	8.7
119.08598	3.1
121.02873	10.1
121.06499	21.1
121.10088	2.9
125.02382	3.5
127.03890	11.2
128.06219	2.5
131.08531	2.7
133.06410	2.7
133.10135	3.0
135.08083	3.1
136.07584	6.6
137.05954	9.7
139.06511	5.0
139.07535	64.5
139.08597	3.4
143.03374	4.3
145.06404	5.8
149.05971	3.8
153.01823	59.9
157.10083	2.9
167.07048	10.1
181.08649	2.9
183.02881	2.8
287.05505	100.0
299.05789	2.9
303.04941	4.9
304.05429	5.3
305.05545	9.5
311.05560	3.3
360.15164	2.6
448.18362	3.5
569.31030	3.8
587.23492	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	587.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09631	0.5
53.03942	3.1
55.01856	2.2
55.05496	1.6
67.05501	1.0
68.99747	0.5
69.03432	2.6
69.88855	0.9
69.89271	2.4
79.05072	0.8
79.05495	11.5
81.03422	2.9
81.07060	0.5
83.08608	1.8
85.02901	5.8
91.05486	5.6
92.67511	0.5
93.07041	9.2
95.04970	4.2
97.02864	1.9
97.06516	1.0
105.04483	0.9
105.06989	0.6
107.04939	0.8
109.02873	1.1
111.00800	1.1
111.04448	0.8
111.08077	1.7
119.95472	0.5
121.02850	3.8
121.06505	2.9
124.44984	0.5
127.03876	1.7
129.07022	0.9
133.02888	0.7
135.08035	0.6
137.02339	1.7
139.07544	7.8
147.04343	0.6
153.01819	5.1
155.08545	0.6
165.01799	2.1
183.02869	1.1
213.05489	1.7
231.06512	0.8
241.04871	0.7
258.05219	1.6
262.09653	0.5
270.75400	0.6
277.63449	0.5
287.05490	100.0
288.05811	0.8
329.06522	1.2
353.06393	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.6
51.66015	0.6
53.03934	1.1
55.00809	0.6
55.05492	0.7
57.03431	0.6
63.05345	0.7
66.79102	0.5
67.01851	0.7
67.05499	1.2
68.99780	0.9
69.03432	4.0
69.18852	0.7
70.82982	1.4
70.83318	0.7
79.01461	0.6
79.01852	4.2
79.05492	3.4
81.03423	3.1
81.07045	3.2
83.04983	1.0
85.02909	2.7
91.05485	2.4
93.07062	1.4
95.04968	2.5
97.02888	8.4
99.04458	0.7
105.07056	1.1
107.01310	2.0
107.05003	0.7
107.08601	1.3
108.09026	0.6
109.02868	2.5
109.06516	2.0
115.03944	1.2
119.04903	0.7
121.02834	1.8
121.06493	0.9
121.10148	0.7
124.72085	0.6
125.02367	4.0
127.03916	2.9
131.04947	1.2
132.01849	0.6
135.04428	0.7
137.02332	2.3
137.05984	2.3
141.01859	0.9
143.03384	6.9
147.04413	1.8
153.01825	100.0
154.02101	0.8
159.04384	1.6
161.06010	1.0
163.03902	1.6
165.01845	1.8
167.07088	1.0
169.01303	0.9
171.02875	5.6
177.05556	0.7
181.01358	0.9
183.02901	0.9
191.03484	0.8
195.02928	3.4
197.00838	1.5
201.05424	1.2
205.04913	1.9
207.02850	1.6
219.03036	1.0
221.04440	1.9
221.59511	0.6
229.04973	2.8
231.03035	1.0
249.03902	1.2
257.04422	2.0
265.03311	0.8
267.05042	3.2
273.07510	4.8
283.04486	1.8
285.06149	3.5
287.05524	2.7
297.05954	1.1
303.04987	52.7
345.05911	0.7
349.50565	0.6
586.39734	3.1
587.21112	2.0
587.30164	1.2
587.38855	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.103
Annotation	Quercetin 3-(2''-galloyl-alpha-L-arabinopyranoside)
Peak:m/z	Relative Intensity
58.47981	1.7
60.52827	1.7
65.78122	1.5
68.07380	1.3
69.03427	24.6
69.25429	12.6
69.25846	5.5
79.01849	3.7
81.45037	1.4
81.61861	1.5
85.02882	4.8
97.02895	35.8
98.21634	2.5
115.03930	13.8
119.90237	1.4
121.02903	1.8
125.02372	2.3
131.33072	1.3
131.38814	1.4
136.71762	1.3
137.02347	5.8
140.29378	1.6
143.03394	6.5
149.81311	1.4
153.01826	90.2
154.53282	1.3
165.01817	3.6
183.02863	1.7
183.04424	1.7
185.18759	1.5
229.04959	4.8
230.81384	1.6
257.04556	3.3
271.64389	1.4
282.01892	1.6
285.06207	7.5
287.05273	1.9
303.04990	100.0
315.04892	3.6
336.63196	1.5
345.06012	2.3
381.05884	2.6
399.07025	4.2
587.30090	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	585.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.1
55.05500	17.3
57.07061	9.9
62.77826	5.5
63.92934	5.5
67.05512	30.2
69.03416	6.4
69.07057	24.6
71.58188	9.5
79.05487	40.3
81.07049	55.4
83.04963	7.6
89.05994	6.2
91.05472	51.6
93.07047	72.3
95.04938	11.7
95.08600	32.9
97.06518	5.7
103.05458	8.3
105.07029	100.0
107.08593	39.7
109.06438	5.9
109.10143	20.5
117.07020	20.2
119.08569	88.4
121.10146	68.0
123.08047	11.2
123.11633	7.6
128.06235	11.7
128.74625	5.2
129.07008	9.0
130.07814	7.6
131.08545	31.3
133.10124	49.8
135.11703	16.5
137.09668	7.8
142.07756	24.2
143.08554	37.0
144.09285	7.6
145.10117	68.4
147.11725	33.3
149.09570	9.0
155.08559	6.7
156.09349	9.6
157.10123	40.1
159.11685	34.3
161.13313	6.8
167.10646	26.8
169.10127	15.4
171.11665	20.2
173.13263	13.0
175.14793	5.5
179.08475	6.3
181.10168	12.6
181.12042	7.2
182.10869	9.6
183.11763	13.2
185.13255	8.9
193.07602	5.5
194.10843	6.9
195.11642	9.4
197.13277	15.7
199.14838	8.9
201.16354	6.7
207.11742	6.2
209.13232	8.7
211.14841	10.2
221.13290	10.4
221.15385	10.9
223.14774	6.6
265.19376	6.3
381.79688	6.2
420.52850	5.8
444.81516	5.6
585.56494	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	587.1029
Annotation	Quercetin 3-(2''-galloyl-alpha-L-arabinopyranoside)
Peak:m/z	Relative Intensity
69.03427	11.8
71.02603	4.0
76.21761	1.8
79.01842	4.7
79.88104	1.7
90.47297	1.4
97.02891	20.0
104.61678	1.4
115.03934	6.5
119.04952	1.4
125.02339	3.2
136.05890	1.5
143.03372	7.2
147.04436	3.2
151.03888	1.8
153.01823	100.0
159.04420	4.1
163.03888	1.7
175.03946	3.6
177.05493	2.5
179.03334	8.1
193.04971	3.4
204.76683	1.5
205.04970	16.0
207.02913	15.5
221.04495	5.0
231.02876	3.5
249.03934	8.9
255.55435	1.3
267.05002	30.6
271.27133	1.4
285.05878	7.4
303.05042	4.3
303.32608	1.5
406.71414	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.3
53.31244	1.8
55.01871	13.0
55.05508	25.7
57.03431	7.1
60.44430	1.7
64.87274	1.8
67.05502	26.7
69.03433	4.3
69.07069	6.4
70.69934	1.7
70.70281	5.2
71.04985	4.0
74.23850	1.7
79.05495	34.4
81.03414	38.4
81.07052	27.3
81.20839	1.5
83.04986	9.8
83.08607	15.0
85.02912	13.6
85.03341	2.3
85.06537	1.7
91.05481	31.4
93.07053	19.8
95.04963	28.5
95.08593	8.1
97.02887	4.7
97.06512	2.7
97.10162	12.5
103.05460	6.2
105.07037	21.0
107.04944	11.9
107.08596	14.9
109.02880	100.0
109.06522	5.5
109.10139	6.9
111.04459	6.1
111.08125	4.2
113.06046	1.9
115.05457	6.6
117.07065	8.0
119.04932	3.9
119.08578	12.6
121.02876	6.6
121.06507	9.5
121.10158	7.0
123.04409	4.0
123.08082	3.6
125.09631	8.7
128.06204	3.8
129.06981	13.3
131.04936	10.6
131.08562	10.0
133.06404	8.8
133.10100	8.7
135.04410	4.1
135.08052	5.1
135.11685	4.9
137.02345	2.8
137.05968	6.7
137.09598	2.1
141.06989	3.6
143.08569	7.2
145.06500	12.2
145.10141	7.0
147.04387	9.4
147.08072	5.2
147.11697	7.7
149.05966	4.0
149.09651	3.7
153.01871	2.4
155.03389	3.8
155.08502	5.8
157.06512	6.0
157.10088	8.2
159.08081	6.0
161.06009	20.0
161.09679	3.1
163.07576	2.6
163.11183	8.4
165.06979	2.8
167.07121	2.1
167.08594	4.7
168.09320	1.8
169.06477	3.2
169.10165	2.7
171.04382	3.1
171.08057	5.4
173.05988	11.0
173.09656	5.3
174.06804	2.1
175.03905	3.6
175.07512	3.3
175.11217	9.8
181.06609	3.1
181.10091	2.3
183.08087	5.4
185.05963	5.2
187.07550	8.9
189.05475	22.4
189.09232	2.5
189.11205	3.4
190.06242	6.0
191.10721	2.8
193.12198	17.8
195.08092	3.1
197.05934	3.8
199.07477	3.6
201.09169	2.1
203.07094	2.1
203.10692	2.1
211.07574	4.4
211.13264	13.6
213.05383	2.3
213.09087	2.6
221.09712	2.0
227.12680	3.4
248.69531	1.8
255.13799	8.4
257.15475	1.9
265.12314	2.2
267.15829	3.4
273.14856	25.3
283.13351	9.1
285.14661	4.0
301.14331	81.4
319.15500	9.7
323.16464	6.1
339.15976	3.1
341.17517	3.8
357.16895	4.8
375.18002	5.4
447.25226	2.1
457.23633	2.4
475.24698	11.4
493.25940	20.3
511.26703	8.3
549.28381	3.0
567.29779	20.0
585.30627	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.16
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25169	0.5
53.03937	1.5
55.01850	2.5
55.05514	0.6
57.03439	0.7
65.03938	4.0
67.05492	2.2
68.99791	1.1
69.03428	7.3
69.07056	0.6
70.12527	2.3
71.04960	0.8
73.02912	1.4
79.05487	5.0
81.03417	5.1
81.07057	5.6
85.02902	8.2
89.36114	0.5
91.05482	20.5
93.07043	1.1
95.04948	3.8
95.08614	0.7
97.02896	3.3
99.04449	1.7
103.05480	1.0
105.03396	0.6
105.07047	2.3
107.04944	2.9
109.02885	3.1
109.06511	2.6
111.00751	0.8
115.05431	0.6
119.04955	5.1
119.08589	1.0
121.02858	3.6
121.06490	1.6
123.04453	0.8
125.05997	0.6
127.03918	3.9
131.04881	0.6
131.08519	0.5
133.02852	0.6
133.06473	1.8
135.04456	1.0
137.02359	1.5
137.05974	10.1
145.04958	1.3
145.06451	0.8
147.04420	1.7
147.33278	0.5
149.05969	0.9
153.01845	6.2
161.05980	1.9
163.07484	0.5
165.01834	2.0
169.16835	0.4
175.07487	0.8
177.05423	0.8
181.04942	0.9
183.02867	0.6
200.62459	0.5
203.07101	0.7
209.08014	0.9
213.05510	1.3
241.04971	1.5
258.05331	1.1
259.06119	0.5
263.09186	0.7
287.05496	100.0
288.05771	1.3
303.01447	0.5
363.08627	0.7
405.09656	0.8
580.76508	0.5
585.31238	0.7
585.39752	3.8
585.90167	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1603
Annotation	Taxifolin 3'-(6''-phenylacetylglucoside)
Peak:m/z	Relative Intensity
52.65152	0.3
53.03946	2.2
55.01880	1.7
55.05497	0.5
57.03426	0.9
57.59927	0.3
60.42372	0.3
65.03950	2.3
67.05482	1.3
68.99783	1.0
69.03432	4.3
69.86201	1.6
71.01330	0.4
71.04987	0.3
73.02924	0.8
73.22044	0.4
77.03979	0.4
79.05489	6.5
81.03416	4.2
81.07050	5.9
83.04986	0.8
85.02907	3.7
87.04408	0.5
90.13464	0.3
91.05481	15.9
93.03416	0.4
93.07044	3.5
94.04160	0.4
95.01373	0.3
95.04974	6.5
95.08573	0.5
97.02882	3.1
99.04465	0.9
99.87555	0.4
103.05450	1.1
105.03400	0.6
105.07034	1.9
107.04950	1.8
107.08577	0.5
109.02877	2.7
109.06521	2.7
109.07127	0.4
111.00774	0.7
115.04020	0.4
115.05424	0.5
117.07007	0.6
117.20779	0.4
119.04942	3.1
119.08543	0.6
121.02863	3.0
121.06493	1.4
121.10088	0.4
123.04411	0.4
127.03919	3.0
128.06184	0.4
129.06989	0.7
131.04889	0.6
131.08617	0.4
133.02823	0.4
133.06477	1.4
133.10185	0.5
137.02345	2.6
137.05991	6.6
139.07524	0.8
141.06946	0.4
145.04897	0.9
145.06467	0.8
147.04401	1.3
147.08026	0.6
149.06017	0.5
151.03976	0.4
153.01828	6.9
157.06531	0.7
161.05986	1.4
163.03799	0.6
163.07472	0.4
165.01848	2.0
167.07082	0.8
171.07997	0.5
173.06039	0.4
177.05469	0.8
181.04985	0.5
183.02919	0.9
189.05478	0.5
189.09100	0.4
191.03377	0.5
197.05995	0.4
199.07549	0.5
213.05476	1.5
229.04951	1.1
231.06529	1.0
241.04903	0.5
245.98682	0.4
257.04507	0.7
258.05234	1.0
287.05493	100.0
288.05783	2.4
299.05447	0.5
301.14536	0.6
303.04971	19.4
304.05383	0.4
304.08774	0.5
311.05389	0.5
315.05045	2.4
327.12350	0.5
329.06525	1.0
339.04907	1.0
353.06232	0.5
359.14963	0.9
377.10532	0.4
405.09698	1.0
423.10889	2.7
447.09482	0.6
567.28528	0.4
585.15845	0.4
585.29431	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1238
Annotation	Quercetin 3-(6''-p-hydroxybenzoylgalactoside)
Peak:m/z	Relative Intensity
50.48868	0.4
53.03929	0.7
55.01866	1.1
55.05504	1.4
57.03426	0.6
61.02914	0.3
65.03940	4.0
67.05499	1.8
68.99795	1.0
69.03425	1.7
69.07043	0.5
71.05001	0.6
71.58192	0.6
73.02930	0.5
75.34951	0.3
79.05487	2.7
81.03416	3.0
81.07061	1.7
83.04973	1.1
83.08629	0.5
85.02904	2.8
87.03513	0.3
91.05488	2.5
93.03401	1.3
93.07040	2.1
95.04973	2.3
95.08606	1.2
97.02895	1.0
97.06499	0.6
97.10165	0.5
99.04443	1.0
105.03398	0.4
105.07042	1.9
107.04952	1.4
107.08590	1.2
109.02871	2.2
109.06506	0.6
109.10138	0.7
110.03633	0.7
111.00809	1.1
111.04446	2.2
111.08131	0.4
117.07034	0.9
119.08578	1.2
121.02865	63.2
121.06493	1.5
121.10099	0.5
123.04405	0.5
125.05992	0.9
125.09630	0.7
127.03910	1.5
128.06245	0.5
129.06953	0.7
131.04913	0.8
131.08583	0.9
131.37262	0.4
133.06468	0.9
133.10123	0.8
135.04399	0.7
135.08015	0.5
137.02335	4.8
137.05951	2.2
137.09581	0.5
139.03900	1.2
139.07529	0.7
141.06975	0.6
143.03416	0.9
145.05003	0.6
145.06491	1.1
145.10144	0.8
146.05927	0.6
147.04430	0.8
147.08087	0.5
147.11673	0.5
149.02263	0.4
151.03894	1.6
151.07471	0.5
153.01828	12.6
153.05518	1.3
157.06564	0.7
159.08147	0.5
161.06038	0.9
163.03920	1.0
163.11136	0.4
165.01801	2.5
166.02548	0.4
167.07065	1.1
171.02892	0.7
173.06036	0.8
175.07492	0.5
175.69191	0.4
177.05455	0.7
181.04991	0.4
183.02896	0.9
187.07542	0.7
189.09158	0.5
191.07077	0.5
193.08525	0.5
196.08885	0.4
201.05464	2.4
215.07063	0.4
228.04166	0.4
229.04974	6.3
230.34132	0.4
239.06903	0.6
247.05835	0.7
253.08632	1.0
253.12271	0.4
255.09918	0.5
257.04373	3.5
265.07123	0.4
265.10870	0.4
271.06036	4.0
273.14877	0.5
274.04651	1.2
275.05328	0.4
283.07956	0.5
285.03955	1.4
287.05484	3.4
297.06183	0.4
299.13095	0.4
301.14334	1.0
303.04984	100.0
304.05310	1.7
313.10541	0.5
313.14053	0.6
327.12170	2.1
359.14886	5.4
369.06174	0.6
411.06879	0.5
493.26007	0.4
502.53458	0.4
567.29047	0.8
585.22034	3.3
585.30334	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48868	0.4
53.03929	0.7
55.01866	1.1
55.05504	1.4
57.03426	0.6
61.02914	0.3
65.03940	4.0
67.05499	1.8
68.99795	1.0
69.03425	1.7
69.07043	0.5
71.05001	0.6
71.58192	0.6
73.02930	0.5
75.34951	0.3
79.05487	2.7
81.03416	3.0
81.07061	1.7
83.04973	1.1
83.08629	0.5
85.02904	2.8
87.03513	0.3
91.05488	2.5
93.03401	1.3
93.07040	2.1
95.04973	2.3
95.08606	1.2
97.02895	1.0
97.06499	0.6
97.10165	0.5
99.04443	1.0
105.03398	0.4
105.07042	1.9
107.04952	1.4
107.08590	1.2
109.02871	2.2
109.06506	0.6
109.10138	0.7
110.03633	0.7
111.00809	1.1
111.04446	2.2
111.08131	0.4
117.07034	0.9
119.08578	1.2
121.02865	63.2
121.06493	1.5
121.10099	0.5
123.04405	0.5
125.05992	0.9
125.09630	0.7
127.03910	1.5
128.06245	0.5
129.06953	0.7
131.04913	0.8
131.08583	0.9
131.37262	0.4
133.06468	0.9
133.10123	0.8
135.04399	0.7
135.08015	0.5
137.02335	4.8
137.05951	2.2
137.09581	0.5
139.03900	1.2
139.07529	0.7
141.06975	0.6
143.03416	0.9
145.05003	0.6
145.06491	1.1
145.10144	0.8
146.05927	0.6
147.04430	0.8
147.08087	0.5
147.11673	0.5
149.02263	0.4
151.03894	1.6
151.07471	0.5
153.01828	12.6
153.05518	1.3
157.06564	0.7
159.08147	0.5
161.06038	0.9
163.03920	1.0
163.11136	0.4
165.01801	2.5
166.02548	0.4
167.07065	1.1
171.02892	0.7
173.06036	0.8
175.07492	0.5
175.69191	0.4
177.05455	0.7
181.04991	0.4
183.02896	0.9
187.07542	0.7
189.09158	0.5
191.07077	0.5
193.08525	0.5
196.08885	0.4
201.05464	2.4
215.07063	0.4
228.04166	0.4
229.04974	6.3
230.34132	0.4
239.06903	0.6
247.05835	0.7
253.08632	1.0
253.12271	0.4
255.09918	0.5
257.04373	3.5
265.07123	0.4
265.10870	0.4
271.06036	4.0
273.14877	0.5
274.04651	1.2
275.05328	0.4
283.07956	0.5
285.03955	1.4
287.05484	3.4
297.06183	0.4
299.13095	0.4
301.14334	1.0
303.04984	100.0
304.05310	1.7
313.10541	0.5
313.14053	0.6
327.12170	2.1
359.14886	5.4
369.06174	0.6
411.06879	0.5
493.26007	0.4
502.53458	0.4
567.29047	0.8
585.22034	3.3
585.30334	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.7
53.03940	1.0
55.01866	1.3
55.05494	0.8
65.03948	1.0
67.05500	1.4
69.03421	2.2
69.07066	0.6
72.69473	0.5
75.98222	0.6
79.01856	3.3
79.05486	2.7
81.03403	2.4
81.07066	1.1
83.04968	1.3
84.08148	0.6
85.02902	1.9
87.04536	0.7
91.05478	3.7
93.07039	2.5
93.31443	0.5
95.04988	1.4
97.02879	1.8
97.06505	0.7
98.21552	0.8
99.04446	1.1
105.07027	1.1
107.08595	0.6
109.02884	1.0
109.10192	0.7
111.04446	4.3
121.02876	2.1
121.06498	2.0
123.04476	0.6
125.02374	3.1
127.03902	0.9
129.05498	0.6
129.06972	0.5
131.08539	0.6
137.02338	1.9
137.05962	1.9
139.07515	0.7
143.03386	7.6
147.04419	1.2
153.01828	100.0
161.06049	0.6
163.03909	0.7
167.07077	0.6
175.07545	0.7
179.03357	0.7
181.01320	2.4
201.05478	1.3
207.02898	4.1
219.06464	4.1
219.07881	0.4
221.04471	2.5
223.02371	0.8
229.04910	0.6
235.05954	1.0
245.04436	0.8
263.05478	3.3
267.78088	0.6
281.06567	14.3
284.59717	0.6
287.05527	5.5
299.07770	0.7
303.01657	1.3
303.05008	5.3
304.05292	2.1
305.05722	1.6
329.06308	0.9
357.13431	0.7
425.91113	0.5
530.08380	0.6
585.35175	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1234
Annotation	Quercetin 3-(6''-p-hydroxybenzoylgalactoside)
Peak:m/z	Relative Intensity
51.02382	2.0
53.03945	12.0
55.01866	13.2
55.05503	2.3
57.03436	3.1
63.22015	1.0
64.39660	0.9
65.03934	4.7
67.05491	3.4
68.67026	1.0
69.03432	18.8
69.07082	1.2
69.47375	9.5
70.49037	0.9
71.01361	1.2
71.04975	3.2
73.02902	4.0
77.03934	2.2
78.64771	1.0
79.05491	67.2
81.03416	32.9
81.07048	3.1
83.04987	1.9
83.08621	2.4
85.02901	37.5
87.04473	2.7
91.05476	47.8
93.07038	41.2
95.04962	30.4
95.08581	2.4
97.02886	17.3
97.06519	5.4
99.04470	4.7
101.40456	1.1
103.05453	1.6
105.04537	5.0
105.07030	7.2
107.04940	6.7
107.08586	2.4
109.02877	11.7
109.06509	3.0
109.10115	1.3
111.04438	5.5
111.08076	5.7
113.06002	1.6
115.03922	1.2
115.05443	2.4
117.06975	5.0
119.04964	2.0
119.08597	2.9
121.02861	31.4
121.06502	28.8
123.04453	2.5
123.08074	3.1
123.11713	1.1
125.05973	2.9
127.03925	10.5
128.06224	1.6
129.07025	3.5
131.08594	5.0
133.06487	4.3
135.04390	1.5
135.08054	9.0
137.02339	2.1
137.05980	3.1
137.09616	1.8
137.22044	1.2
139.07536	37.4
141.06949	1.6
145.04919	2.1
145.06476	4.1
147.08044	4.4
149.06010	4.3
149.09592	1.2
151.07535	9.0
153.01813	4.1
155.08522	1.7
159.08023	3.4
161.05966	1.5
161.09607	1.6
163.07547	6.7
173.09651	1.8
175.07562	3.1
177.09079	2.7
183.08064	1.5
187.07520	2.6
189.09128	2.1
193.08586	2.4
201.01826	1.9
201.09129	3.4
205.08623	3.1
217.08583	1.5
219.10252	2.2
223.09621	1.4
229.01332	3.1
229.08644	2.3
231.02953	1.6
241.01305	1.5
247.02391	2.9
247.09605	2.1
250.44154	1.2
257.00723	9.3
265.10684	14.7
275.01846	6.9
283.11658	1.3
285.00311	8.1
287.05655	1.3
299.01904	1.3
300.99734	2.0
302.00815	1.2
303.01413	100.0
303.04926	17.3
315.01297	2.1
327.01337	2.3
339.01297	4.7
345.02332	1.9
391.56351	1.1
447.05557	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	584.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	18.6
67.05505	23.3
69.31321	100.0
69.31745	91.4
81.07027	22.2
91.05477	31.5
93.07008	28.5
95.08563	17.9
105.07039	44.3
107.08597	22.5
119.08563	51.6
123.08035	21.2
126.45016	17.2
131.08578	45.0
133.10120	27.8
142.07756	20.9
143.08531	21.9
145.10104	62.5
157.10126	51.6
165.09088	30.3
221.15402	59.5
270.98016	20.2
274.89151	20.3
277.46158	23.3
311.29633	27.6
352.23947	43.8
504.35907	82.2
584.40845	26.5
584.56238	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	585.1229
Annotation	Quercetin 3-(6''-p-hydroxybenzoylgalactoside)
Peak:m/z	Relative Intensity
50.68712	0.3
50.69787	0.3
53.03946	2.0
55.01859	1.2
57.03425	0.9
65.03934	4.7
65.20777	0.3
68.90200	0.3
68.99783	0.8
69.03423	3.9
71.01350	0.7
71.04986	0.9
71.31610	0.4
71.31940	0.4
79.05460	0.9
81.03413	15.5
85.02902	3.9
91.05469	0.7
93.03375	1.0
95.04972	5.8
97.02885	8.1
97.52678	0.3
99.04457	1.6
103.05477	0.6
107.01327	0.4
107.04983	0.5
109.02874	6.3
111.00768	0.8
111.04436	6.9
119.04970	0.5
120.04464	0.5
121.02859	100.0
125.02349	0.4
127.03919	5.8
131.04929	1.1
137.02336	69.4
137.03372	4.2
137.05943	5.3
138.02638	0.6
139.03896	11.5
139.80836	0.3
145.04988	1.1
151.07564	1.0
153.01836	7.7
155.03381	6.4
161.06042	0.5
163.04022	0.7
163.07533	1.8
165.01779	2.1
171.02852	0.4
183.02853	0.7
187.03960	0.6
187.07486	0.4
200.85898	0.4
201.05504	0.9
201.09146	0.4
205.04893	0.5
213.05528	1.0
229.04980	2.3
241.04988	0.5
257.04507	1.1
258.05237	0.5
265.07040	9.9
271.06006	15.1
281.06537	7.1
283.08047	1.8
285.03955	0.6
286.04617	0.4
287.05481	39.1
288.05899	0.6
299.07776	1.3
303.04968	40.1
304.05481	1.0
352.29218	0.3
407.18768	0.6
436.75107	0.4
585.22083	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02900	3.7
69.03403	5.5
71.02577	6.8
79.05461	6.9
83.08553	3.1
85.02888	9.1
91.05487	16.9
93.07014	5.0
93.49702	3.3
95.04961	6.4
99.80291	3.6
103.05434	19.9
105.07014	9.9
107.04957	20.8
115.63509	3.3
117.06979	5.2
119.04932	14.4
119.08549	3.9
121.06494	10.0
127.03922	9.1
129.06999	5.4
131.04926	41.5
133.06494	8.3
135.08017	4.8
137.04901	5.3
137.05971	100.0
139.77693	3.2
145.06448	6.7
147.04402	16.0
147.08105	3.6
149.05940	8.3
151.07530	48.4
153.01814	15.9
157.02759	3.2
157.06442	4.5
161.05968	65.9
161.09610	16.2
162.06741	8.1
163.07538	89.6
165.09114	3.5
175.07550	18.2
177.09085	22.6
179.06972	10.5
181.08556	10.2
189.09074	42.3
194.04506	6.3
195.10208	4.5
207.10150	79.8
219.10146	9.7
221.11736	7.4
222.47435	3.5
227.10654	9.9
228.02248	3.2
237.08952	4.8
240.87364	3.1
249.09067	4.5
253.12131	6.3
255.10234	6.4
285.11212	5.8
287.12735	33.7
311.12747	23.1
313.14429	33.3
331.15356	61.5
343.15341	10.8
389.12869	3.9
584.26740	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	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	23.2
67.05499	42.6
69.03421	11.4
69.07058	27.0
69.79441	11.6
69.79853	36.2
79.05497	36.7
81.03394	15.5
81.07068	50.7
83.04960	12.7
83.08620	22.7
85.06542	9.8
88.26151	7.6
91.05487	49.2
91.12399	7.3
93.07044	73.5
95.04976	21.5
95.08612	48.0
97.06501	15.1
98.21448	9.8
105.07031	89.5
107.08589	66.3
109.06521	16.6
109.10177	39.1
113.09575	7.0
115.05441	8.1
117.07010	16.8
119.08571	82.8
121.06567	9.0
121.10143	58.4
123.08052	23.1
123.11739	12.8
125.09637	15.1
129.07005	10.9
130.07774	10.0
131.08572	40.6
133.06459	9.2
133.10153	46.6
135.08031	8.1
135.11719	16.3
137.09656	12.1
142.07793	17.5
143.08524	40.0
144.09387	10.7
145.10139	55.3
145.11096	9.3
145.63882	6.9
147.08011	10.8
147.11685	18.0
155.08571	20.1
155.10719	13.3
156.09337	23.3
157.10095	51.0
158.10934	9.7
159.11690	34.7
161.13274	7.8
163.11234	12.6
165.06950	9.5
165.09131	18.5
167.08560	15.4
167.10686	16.1
169.10100	26.6
171.11633	37.0
173.13275	30.9
175.14819	13.5
179.08559	13.1
181.10126	20.6
181.12210	17.0
183.11736	24.1
185.13287	28.7
187.14807	17.4
191.14227	10.0
193.10172	13.5
194.11021	8.1
195.11682	21.0
197.13231	38.8
199.14786	18.1
203.14296	10.9
207.11732	18.0
207.13713	10.1
208.12479	8.8
209.13326	35.4
211.14824	16.5
213.16451	8.1
215.14339	10.0
221.13245	20.4
221.15419	39.6
223.14728	16.8
225.14799	13.1
231.11835	8.9
233.13327	17.9
233.15404	20.6
235.14827	13.3
237.16377	9.4
247.14706	12.2
249.16240	9.5
257.18784	10.1
261.16397	8.0
275.17807	10.6
277.19678	9.8
295.20401	10.7
340.53009	8.3
375.26804	8.9
491.34448	10.7
565.40430	24.2
583.32404	13.1
583.41364	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	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98707	3.8
52.34373	4.2
53.03949	6.3
55.05495	17.8
57.07061	8.9
67.05508	36.4
69.03411	8.0
69.07055	28.4
70.07120	4.1
70.64142	7.4
70.64469	5.5
72.59971	4.6
79.05488	31.2
81.07050	40.1
83.08621	11.7
85.06531	7.2
87.04381	4.2
89.06006	4.6
91.05480	53.7
91.58490	4.3
93.07037	61.6
95.04948	17.9
95.08600	41.0
97.06512	14.7
105.07024	95.9
107.04917	4.4
107.08594	53.0
109.06498	11.2
109.10133	25.6
117.07038	19.7
119.08570	100.0
121.06492	8.7
121.10137	68.4
123.08066	17.8
123.11696	8.3
125.09662	5.5
126.00957	4.7
128.06187	11.8
129.06976	20.9
131.08574	47.5
133.10120	54.3
135.08052	9.2
135.11659	21.1
137.09590	12.2
141.07007	9.5
142.07759	21.8
143.08553	39.8
143.78833	4.2
145.10115	58.6
147.08032	9.6
147.11674	18.3
149.09630	7.1
151.07494	9.3
155.08549	16.9
156.09320	15.2
157.10121	49.9
158.10876	4.8
159.08040	10.3
159.11656	30.9
161.09648	11.1
161.13249	8.8
163.11215	8.2
165.07051	7.9
165.09096	13.6
166.07777	4.6
167.08513	11.6
167.10649	45.4
168.09344	9.2
169.10150	27.6
170.10899	8.9
171.11656	31.1
173.13217	27.2
175.11241	5.0
175.14853	13.6
179.08556	16.0
181.10109	12.0
181.12250	5.5
182.10927	10.2
183.11688	21.3
185.13260	18.4
187.14871	6.3
189.12709	6.7
191.14282	5.0
192.09367	5.3
193.10104	14.5
194.10968	9.8
195.11728	21.2
196.12415	5.0
197.13223	22.8
199.14825	19.8
201.16370	5.1
203.14339	7.8
206.10887	8.5
207.11714	15.6
207.13643	5.9
208.12413	8.7
209.13237	30.0
210.14038	7.1
211.14793	11.3
213.16272	6.6
215.14249	5.5
217.15871	12.1
219.11696	5.6
220.12520	5.5
221.13252	18.2
221.15425	24.3
223.14784	14.8
225.16447	5.4
231.11589	7.3
233.13123	11.9
233.15421	20.3
235.14841	12.5
237.12744	5.0
237.16478	7.7
245.13289	7.6
247.14780	6.9
249.16565	7.6
255.17299	6.0
261.16501	10.5
263.17923	6.3
269.18890	8.9
275.17950	9.1
283.20468	12.1
285.18552	4.8
289.19586	4.4
349.24997	4.8
377.24661	5.1
491.35159	5.5
553.11017	4.6
565.39893	13.7
583.41486	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.8
55.01865	5.4
55.05509	20.8
56.73326	4.1
57.07076	12.1
58.36613	4.8
59.05016	5.3
59.37267	3.9
65.03935	5.0
67.05498	26.0
69.03435	9.0
69.07066	26.9
69.54320	8.4
69.54731	27.9
79.05490	29.5
81.07053	34.8
83.04984	10.8
83.08608	12.5
85.06548	6.0
88.52419	4.4
88.59182	4.2
88.59776	4.9
91.05476	46.7
92.43291	4.4
93.07050	61.8
95.04954	11.4
95.08608	41.2
97.06523	6.5
98.20750	8.4
102.71024	4.1
105.07032	71.2
107.08593	54.4
109.06501	12.7
109.10160	21.3
111.08091	4.4
111.11723	4.7
115.05480	4.6
117.07053	15.9
119.08585	100.0
121.06453	6.2
121.10137	67.6
123.08063	16.7
123.11735	11.5
125.51682	4.3
128.06207	15.3
129.06999	22.0
130.07761	6.6
131.08594	41.1
133.10152	49.1
135.08029	13.8
135.11691	16.3
137.09644	5.4
141.06987	7.7
142.07726	23.4
143.08574	47.3
144.09312	7.8
145.10147	59.1
147.08086	13.9
147.11707	22.4
149.09645	12.0
149.13261	5.3
151.07564	12.6
153.06992	8.2
155.08580	17.0
156.09360	17.4
157.10138	62.3
158.10883	9.6
159.08015	6.1
159.11746	30.4
161.09616	8.4
161.13260	9.1
163.11200	8.0
165.07031	6.7
165.09113	21.3
167.08556	9.6
167.10678	36.2
168.09392	9.0
169.10114	34.0
170.10953	6.5
171.11684	32.6
173.09613	7.3
173.13261	22.0
175.11229	9.0
175.14839	11.3
179.08583	16.4
180.09383	10.1
181.10124	19.2
181.12315	9.7
182.10979	13.5
183.11711	32.6
184.12531	8.1
185.13298	17.2
187.14818	11.3
189.12825	11.1
191.14333	8.7
193.10095	21.7
194.10909	11.2
195.11734	25.4
196.12376	8.9
197.13234	26.4
199.14879	15.2
201.16513	6.3
203.14337	12.9
205.10153	6.3
206.10995	10.1
207.11711	22.9
207.13705	8.3
208.12517	6.1
209.13182	25.7
211.14870	12.6
213.16328	7.1
215.14223	5.1
217.10080	5.5
217.15840	5.8
217.41287	5.8
219.11710	9.2
220.12711	7.1
221.13284	18.0
221.15417	32.9
222.14090	7.8
223.14862	12.8
225.16504	6.4
230.11069	4.8
232.12430	7.4
233.13286	12.2
233.15408	8.1
235.14882	16.0
239.18018	7.7
245.13171	5.3
246.14236	4.7
247.14796	7.9
249.16321	7.7
250.34021	4.7
251.17921	4.6
257.19168	5.4
259.14713	9.3
260.15833	5.1
261.16388	8.7
265.19528	8.4
269.19089	7.0
272.15509	5.6
275.17960	11.2
277.19604	7.2
283.20541	10.2
307.20404	4.6
349.25421	5.5
403.29971	6.0
495.79578	4.9
565.40411	26.2
583.41467	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.05502	19.3
57.07048	13.8
65.57600	3.5
67.05499	27.5
69.03414	4.6
69.07059	20.2
70.71549	4.1
70.71873	10.0
79.05482	25.9
80.41965	3.7
81.07051	32.8
83.04964	8.7
83.08616	12.7
85.06562	7.8
85.60779	3.7
91.05469	51.8
93.07042	55.7
95.04958	14.5
95.08598	38.7
103.05467	6.2
105.07026	73.4
107.08576	53.2
107.75554	3.9
109.06489	9.2
109.10127	22.9
115.05437	4.2
117.07008	25.6
119.08572	100.0
121.06499	6.6
121.10137	50.9
123.08060	14.8
123.11710	6.5
128.06221	14.4
129.06982	20.5
130.07748	10.7
131.08575	32.2
133.06508	5.8
133.10141	35.7
135.08023	11.6
135.11656	15.1
137.09625	6.3
141.06963	11.5
142.07768	34.9
143.08528	49.9
144.09341	12.5
145.09082	3.8
145.10139	55.9
147.08043	21.7
147.11681	19.5
149.09619	4.4
149.13309	4.2
151.07553	10.6
153.06946	9.4
154.07758	8.4
155.08514	17.9
156.09285	16.6
157.10120	51.0
158.10802	9.4
159.11726	27.0
161.09595	7.0
161.13206	6.7
163.11031	8.9
165.06979	10.6
165.09058	20.9
166.07788	6.6
167.08540	7.8
167.10643	16.5
168.09320	11.8
169.10123	29.7
170.10890	9.3
171.11678	30.6
173.13274	25.8
175.11137	6.5
175.14819	11.1
179.08527	15.9
180.09212	4.0
181.10103	16.4
181.12244	7.2
182.10924	7.6
183.11676	37.8
185.13225	15.2
187.14828	5.5
189.12740	6.5
191.14314	11.3
192.09355	6.6
193.10085	14.8
194.10904	13.4
195.11678	20.0
196.12428	6.5
197.13219	19.4
199.14871	17.6
203.14282	10.3
205.10112	7.5
206.10864	11.1
207.11655	24.6
208.12401	9.3
209.13210	33.9
210.14012	5.5
211.14787	13.0
213.12762	4.8
213.16272	5.4
215.14339	5.2
217.10081	7.3
217.15828	8.3
219.11679	8.3
220.12450	6.2
221.13229	21.6
221.15343	40.2
223.14813	17.5
225.16438	5.0
231.11638	7.8
232.12450	7.7
233.13268	11.7
233.15350	6.3
235.14833	13.3
237.16368	8.4
243.11526	3.8
245.13271	8.2
246.14059	7.9
247.14754	7.5
248.15663	4.7
249.16321	8.7
251.17711	4.4
257.18930	4.2
261.16263	13.0
263.18018	5.9
265.19485	7.0
271.14664	5.6
271.20023	4.2
275.17957	8.4
277.19452	6.2
283.14621	4.0
283.20535	12.5
289.19489	6.6
331.24240	7.5
349.25403	6.3
375.26819	5.6
503.35403	4.2
565.39899	10.3
583.41327	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.3
53.03938	2.4
55.05507	9.4
57.07061	9.3
59.04993	3.9
67.05495	17.0
69.03416	8.3
69.07062	11.4
69.24612	15.3
79.05476	15.0
81.07047	20.5
83.04960	2.2
83.08590	4.4
85.06535	4.4
91.05467	23.3
93.07036	38.5
95.04952	8.3
95.08595	32.8
97.06548	2.7
103.05470	3.5
105.07014	45.8
107.04945	5.3
107.08578	23.9
107.94740	1.3
109.06506	5.3
109.10163	10.1
111.08107	1.9
115.05401	2.6
117.06968	7.7
118.62073	1.3
119.08566	41.9
121.06506	6.2
121.08784	1.4
121.10133	25.0
123.08055	23.2
123.11739	3.7
128.06224	5.2
129.06976	9.0
130.07787	3.9
131.08559	17.6
133.06506	3.8
133.10126	20.0
135.08023	9.6
135.11691	5.7
137.09596	14.1
139.11116	1.9
141.06981	4.3
142.07758	11.4
143.08545	20.7
144.09305	4.0
145.10095	27.4
147.08049	22.9
147.11691	8.0
149.09618	3.3
151.07532	24.6
153.07036	3.1
154.07816	2.0
155.08525	9.1
156.09326	9.8
157.10126	33.4
158.10876	3.9
159.08098	3.0
159.11670	15.5
161.09637	4.5
161.13316	6.9
163.11200	5.5
165.06970	3.2
165.09093	45.8
166.07805	2.1
167.08553	4.2
167.10689	2.3
168.09383	5.4
169.10114	13.3
170.10918	7.8
171.11661	21.1
172.12315	1.2
173.09634	3.6
173.13249	12.6
175.11169	2.0
175.14824	3.0
177.09145	1.4
177.12657	1.6
178.07739	2.3
179.08484	6.5
180.09354	2.3
181.10089	8.7
181.12268	4.4
182.10866	6.6
183.11674	15.7
184.12462	1.8
185.13229	17.7
187.11227	3.1
187.14825	3.9
189.12776	9.1
191.14268	2.8
193.10161	8.4
193.11894	1.4
194.10896	5.7
195.11685	14.2
196.12450	3.9
197.13242	15.2
199.14893	4.4
199.84796	1.3
201.12685	1.8
203.14310	18.4
205.10071	2.6
206.10876	2.5
207.11691	9.6
207.13828	8.7
208.12477	4.9
209.13231	17.5
210.14055	3.0
211.11142	1.5
211.14810	8.6
212.15636	2.3
213.12860	1.5
213.16348	3.6
215.14319	2.5
217.15941	1.7
219.11711	4.2
219.17337	1.8
220.12489	3.1
221.13248	9.8
221.15305	73.5
222.14026	3.2
223.14737	8.2
225.12761	1.9
225.16385	3.2
229.15794	2.0
231.11719	3.5
231.17426	3.3
232.12360	2.0
233.13268	6.8
233.15405	2.2
234.13968	2.5
235.14781	5.9
236.15465	2.1
237.16473	3.9
239.17827	2.9
244.12675	1.6
245.13211	3.7
246.14211	1.9
247.14751	3.9
247.17035	2.4
248.15469	2.8
249.16342	4.1
251.14241	1.5
251.17937	3.1
253.19592	3.9
255.17603	2.1
257.18988	4.0
259.14868	2.3
260.15463	2.1
261.16467	3.9
263.17972	4.7
265.19577	4.8
269.19034	2.1
271.20602	2.3
273.16397	3.3
275.17978	2.2
277.19543	2.9
279.21127	5.4
283.20566	4.5
287.20090	4.6
289.19470	2.3
295.20578	5.0
297.22116	7.6
300.21121	1.8
303.21368	1.7
315.20978	1.9
317.22467	1.6
329.22714	2.2
333.22327	2.0
335.23715	1.7
347.23761	1.6
348.24588	2.2
349.25150	2.9
352.24026	4.5
357.25885	4.1
365.24695	3.7
375.26752	10.2
385.28818	1.7
403.29947	15.0
480.48779	1.3
491.35068	2.5
503.35278	9.7
509.34271	4.0
547.39209	3.8
565.40393	34.5
583.41382	100.0
584.42023	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	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03969	2.7
54.30341	2.5
55.01860	2.7
55.05503	10.2
57.07079	6.2
59.05005	3.8
62.72996	3.0
67.05512	14.5
69.03419	5.8
69.07058	8.7
71.31772	4.8
76.66475	2.5
79.05490	13.7
81.07059	16.4
83.04998	3.5
85.06534	3.4
87.29049	2.7
87.97566	2.5
91.05482	24.1
92.74328	2.5
93.07034	33.6
95.04970	8.2
95.08603	38.1
97.06548	4.5
103.05476	3.2
105.07025	44.1
107.04900	3.0
107.08575	17.0
108.78284	2.5
109.06519	4.9
109.10138	12.5
110.48380	2.8
113.22462	2.7
117.06982	5.8
119.08572	36.9
121.06517	6.9
121.10139	24.9
123.08062	16.1
128.06253	5.1
129.07034	6.9
131.08585	16.0
133.06502	3.6
133.10130	19.3
135.08092	9.1
135.11678	7.0
137.09651	13.2
142.07785	10.6
143.08539	21.6
145.10104	28.1
147.08031	20.5
147.11670	6.4
151.07549	21.9
155.08636	6.5
156.09360	10.8
157.10123	30.8
158.10742	2.6
159.11700	16.5
159.76855	2.7
161.09610	5.3
161.13264	6.4
165.09113	32.0
167.08603	8.3
168.09399	3.8
169.10135	11.0
170.10934	6.1
171.11707	19.7
173.09634	3.5
173.13301	11.2
175.14810	4.2
179.08586	6.6
181.10170	8.4
182.11011	2.8
183.11693	14.3
185.13263	15.8
187.14989	5.7
189.12781	6.7
193.10120	6.6
194.10878	6.1
195.11726	11.3
197.13309	10.6
199.14827	5.6
203.14293	18.9
205.10185	4.0
207.11697	7.2
207.13852	10.9
208.12547	3.8
209.13268	15.5
211.14812	8.4
213.16318	3.5
219.11726	2.9
221.13268	8.8
221.15332	68.1
223.14868	6.9
225.16637	3.2
231.11642	2.7
233.13290	3.7
234.13928	3.9
235.14873	5.2
237.16286	6.2
245.13437	3.3
249.16408	4.0
253.19434	3.4
259.14841	3.0
263.17938	5.2
271.20624	5.0
279.21036	4.1
283.20792	3.9
289.19562	2.8
297.22205	6.5
375.26837	3.8
403.30023	13.3
405.67404	2.6
491.35010	4.0
503.35141	8.4
509.33759	3.5
565.40344	28.2
583.41425	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32539	4.6
53.88024	4.0
55.05496	20.3
57.07059	14.7
67.05511	37.3
69.03416	7.6
69.07054	22.3
69.41908	10.1
69.42302	41.6
79.05486	30.5
81.07054	39.4
83.04989	9.0
83.08603	8.6
85.06536	10.3
91.05473	58.3
93.07042	67.0
95.04949	17.3
95.08612	38.5
97.06483	7.4
98.21569	9.3
101.52900	5.0
105.07024	82.7
107.08598	51.3
107.22495	4.8
109.06522	11.6
109.10138	21.4
115.05441	7.1
117.07010	26.7
119.07798	8.3
119.08576	100.0
121.06474	5.9
121.10134	57.1
123.08045	20.7
123.11643	8.3
125.09631	5.5
128.06227	15.3
129.07001	24.1
130.07770	9.5
131.08563	34.7
133.10147	40.9
135.08034	9.1
135.11682	17.9
137.09604	12.6
141.06993	12.9
141.52693	4.8
142.07768	29.6
143.08566	48.4
144.09302	7.3
145.10114	54.4
147.08026	11.2
147.11649	17.5
149.09628	10.3
151.07478	11.9
153.06955	6.2
155.08499	18.5
156.09340	20.4
157.10117	57.5
158.10912	10.9
159.11685	30.0
161.09549	11.0
161.13257	10.2
163.11169	10.4
163.14804	5.6
165.06990	10.1
165.09113	34.9
166.07785	5.0
167.08588	15.6
167.10655	14.4
168.09329	9.2
169.10112	33.2
170.10916	11.0
171.11700	42.3
173.13248	28.1
175.14824	9.4
179.08533	17.3
180.09337	8.0
181.10120	24.0
181.12242	10.3
182.10893	6.5
183.11674	34.2
184.12469	8.3
185.13228	20.9
187.14769	7.1
189.12756	7.6
191.14322	12.3
192.09299	11.5
193.10069	20.7
194.10988	11.6
195.11722	26.1
196.12442	6.9
197.13187	24.6
199.14919	23.4
203.14259	13.1
205.10278	6.6
206.10796	11.1
207.11690	25.4
207.13710	8.4
208.12439	13.7
209.13269	35.0
211.14810	14.0
213.16388	9.9
217.15947	12.5
219.11659	10.3
220.12425	14.9
221.13188	25.2
221.15352	57.4
222.13951	6.0
223.14812	21.1
225.16251	10.6
231.11705	7.0
233.13257	11.2
233.15358	11.9
235.14775	18.0
237.16295	15.7
245.13297	14.0
247.14809	12.0
249.16383	15.7
251.18036	8.5
259.14813	9.8
260.15457	6.2
260.29144	5.1
261.16327	13.8
263.17877	11.4
265.19431	5.7
275.17923	15.4
277.19482	6.5
283.20544	19.4
295.20316	6.4
349.25015	6.4
373.25461	5.1
401.28220	7.1
491.34824	7.3
565.40442	29.6
583.41547	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	583.414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	17.7
57.07069	13.2
59.04992	6.1
67.05491	25.8
69.03421	8.1
69.07073	23.0
69.31924	36.9
69.32340	14.1
76.18064	4.7
77.03897	4.4
79.05500	35.4
81.07057	41.1
83.04974	4.8
83.08616	10.8
85.06535	7.8
91.05478	57.3
93.07042	78.1
95.04951	18.9
95.08613	35.8
97.06509	8.9
98.20769	7.3
104.06195	4.4
105.07027	100.0
107.08585	57.9
109.06499	13.7
109.10153	22.0
109.72051	4.3
115.05466	4.8
117.07016	29.7
119.08573	96.5
120.50761	4.6
121.06531	6.8
121.10149	60.7
123.08055	27.4
123.11713	6.2
128.06229	16.0
129.06984	18.6
130.07745	10.1
131.08562	43.6
132.74246	5.3
133.10124	46.2
135.08028	10.9
135.11681	15.2
137.09612	7.9
141.06982	7.4
142.07764	33.3
143.08542	43.7
144.09309	13.3
145.10117	54.3
147.08054	17.8
147.11676	22.4
149.09570	12.0
151.07533	17.0
153.07056	5.9
155.08582	23.0
156.09294	24.0
157.10124	63.2
158.10924	9.5
159.08089	5.8
159.11678	29.7
161.09656	8.7
161.13264	10.5
163.11118	6.1
165.06995	9.6
165.09106	44.5
166.07764	7.0
167.08571	12.6
167.10667	12.9
168.09326	13.3
169.10107	35.2
170.10918	11.9
171.11665	46.4
173.09612	5.7
173.13231	32.3
175.14767	8.1
179.08540	20.8
181.10115	19.7
181.12193	6.2
182.10896	13.4
183.11653	30.5
184.12526	9.2
185.13252	23.2
187.14853	8.1
187.63947	4.2
189.12773	6.6
191.14195	6.6
193.10112	21.4
193.11905	5.6
194.10933	16.3
195.11722	24.5
196.12553	11.1
197.13260	20.3
199.14864	24.0
203.14273	17.7
206.10942	10.8
207.11673	24.8
207.13574	9.7
208.12459	8.2
209.13225	35.9
211.14713	9.3
213.16400	6.9
217.15938	10.3
219.11681	13.4
220.12535	6.8
221.13222	19.5
221.15353	73.3
222.13986	11.3
223.14807	19.6
225.16229	7.9
231.11594	6.9
231.17371	6.2
232.12570	6.8
233.13205	14.3
233.15314	6.1
234.14059	7.7
235.14827	14.1
237.16397	9.7
239.17879	6.9
245.13286	8.0
247.14806	9.1
247.17117	7.2
249.16402	17.5
257.19147	8.1
258.22076	5.3
259.14764	11.0
261.16336	13.7
263.17963	10.3
265.19495	10.9
272.15778	5.2
275.17963	15.7
277.19366	7.3
283.20660	12.2
288.18491	6.3
295.20490	5.9
348.73218	4.7
349.25537	6.8
375.26749	5.4
403.29785	10.7
491.35208	9.4
536.76874	5.3
565.40295	24.6
583.41467	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.01869	6.5
55.05510	32.5
57.03433	10.0
65.03931	4.6
67.05504	93.5
69.03429	25.2
69.07065	12.9
69.55458	23.6
71.04990	7.2
79.05502	24.0
81.03415	100.0
81.07060	27.0
83.04990	22.0
83.08612	19.9
85.02904	20.7
91.05482	27.2
93.07037	24.3
95.04977	26.4
95.08621	13.5
97.02885	13.2
97.06516	4.4
97.10182	11.3
99.04436	4.6
105.06989	14.8
107.04966	7.5
107.08598	12.2
109.02909	14.1
109.06516	3.3
109.10156	48.5
111.04426	13.4
111.08089	6.9
117.07014	4.4
119.08562	18.7
121.06469	3.0
121.10175	7.8
123.04411	4.0
123.11684	3.2
125.09640	12.2
127.03937	9.8
129.06995	7.4
131.08572	12.2
133.06421	4.0
133.10141	8.8
135.11700	4.5
137.06030	3.2
137.09625	3.2
145.10132	5.4
147.04527	3.0
147.08063	3.7
147.11639	14.2
157.10205	8.9
165.12737	3.3
173.11798	15.3
175.11183	8.0
189.11339	4.9
191.10590	3.0
193.12212	23.5
207.17456	2.8
211.13271	42.6
216.89830	2.6
221.15347	3.6
227.12543	3.6
229.14433	10.3
235.13286	5.4
267.15952	9.1
285.17068	4.0
299.14841	10.0
304.11780	6.2
345.15958	2.6
355.17447	15.6
374.14999	4.4
402.18420	4.2
411.20230	3.9
439.26935	9.5
453.77298	3.1
517.72192	3.9
547.18451	3.4
565.29773	3.4
583.24341	21.2
583.31122	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.8
55.01865	6.5
55.05512	26.3
57.00159	1.6
57.03445	9.9
59.05001	4.5
61.96006	1.9
65.03940	2.2
67.05503	100.0
69.03428	14.6
69.07061	10.5
71.01734	1.8
71.04976	7.7
79.05494	24.0
81.03416	92.8
81.07049	36.8
83.04984	17.5
83.08616	21.4
85.02901	18.9
85.06514	3.0
91.05474	29.0
93.07034	20.9
95.04972	22.1
95.08601	12.5
97.02871	12.5
97.06541	4.5
97.10185	9.9
98.20679	2.6
99.04458	2.2
103.03952	2.0
103.05489	2.4
105.00768	1.7
105.07030	17.6
107.04944	6.6
107.08593	13.0
109.02879	15.0
109.06516	5.2
109.10149	54.4
111.04446	13.4
111.08110	10.1
115.05488	2.9
117.07023	3.6
119.08586	21.8
121.06489	2.3
121.10155	7.7
123.04421	3.6
123.08099	2.8
125.09641	9.8
127.03911	11.7
128.56534	1.8
129.05463	3.0
129.06993	7.4
131.04945	2.1
131.08543	12.5
133.10124	7.6
135.04401	2.2
135.11719	3.1
137.06020	2.2
137.09633	5.2
143.08543	4.1
145.10136	4.3
147.04425	3.3
147.08060	2.2
147.11674	9.7
149.05984	2.0
149.09644	4.2
155.08652	2.0
155.10672	1.9
155.19482	2.1
157.10120	8.3
163.11226	3.3
165.12753	3.7
167.07033	2.1
173.09526	2.3
173.11769	18.8
173.13229	3.5
175.11205	7.9
181.12253	2.4
189.11221	9.8
189.12723	3.0
191.10596	1.8
193.12227	27.7
204.18846	2.0
211.13271	41.4
227.12830	6.8
229.14351	14.1
231.13826	2.4
235.13235	3.7
267.15961	7.0
277.14267	2.4
285.17050	4.4
299.14883	8.9
301.14145	2.5
304.35822	2.0
308.40726	1.7
309.16937	2.5
319.15182	1.8
333.62918	1.8
337.16553	2.6
355.17453	8.2
421.25586	4.9
439.26956	12.3
477.01215	1.8
505.28235	2.6
565.29657	4.9
583.31018	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	583.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.6
55.01867	8.9
55.05510	34.5
57.03435	11.3
59.04986	5.5
65.03957	4.0
65.88020	2.8
67.05504	100.0
69.03420	21.8
69.07066	9.6
71.04994	7.0
71.58173	5.0
79.05487	27.7
81.03416	95.6
81.07053	36.5
83.04974	22.7
83.08613	19.0
85.02911	26.9
85.06509	4.9
85.79362	2.2
91.05485	37.4
93.07027	18.2
95.04964	26.2
95.08607	18.7
95.86314	2.9
96.48959	2.6
97.02893	21.3
97.06520	9.6
97.10162	14.4
99.04484	4.4
99.08108	3.9
103.05465	4.4
105.07024	22.6
107.04950	10.9
107.08609	12.6
109.02881	17.5
109.06541	5.7
109.10152	62.2
109.10834	5.2
111.04440	18.5
111.08065	8.6
113.06068	3.2
115.05457	3.9
117.06999	5.5
118.46085	2.7
119.05002	3.1
119.08601	21.4
121.06503	5.4
121.10155	11.4
122.03721	2.6
123.04408	4.9
125.09624	10.5
127.03923	14.3
129.06987	7.3
131.04883	3.4
131.08560	12.4
133.06508	5.2
133.10146	8.4
135.08032	3.3
137.05969	18.2
137.09669	4.3
145.06509	5.2
145.10129	4.4
147.11688	10.6
149.09633	4.5
151.03918	5.9
153.01820	11.2
153.12744	2.9
155.10680	4.8
157.10126	11.3
161.05968	3.8
163.07620	2.6
163.11256	3.6
165.09116	3.8
165.12793	3.3
167.07112	13.9
167.08272	3.1
171.11703	2.6
173.06059	4.0
173.11778	18.7
175.11176	11.0
181.04918	5.7
189.11124	4.8
191.06941	2.8
193.12247	36.8
204.97726	2.9
211.13286	52.8
227.12799	11.2
229.12332	2.5
229.14346	16.6
245.24309	2.5
267.15994	7.9
277.14474	3.0
299.14798	9.5
327.12100	3.7
331.17593	2.7
337.16562	3.4
355.17453	10.1
385.60913	2.8
411.20175	4.7
421.25717	5.3
424.69556	2.9
439.27112	14.9
505.27701	3.7
529.27661	3.9
547.29150	4.1
565.21405	3.9
565.29803	8.3
583.21899	5.9
583.31055	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01878	3.4
55.05525	4.8
57.03437	2.1
59.12358	2.2
65.03942	2.0
66.04735	2.2
67.05515	13.1
69.03423	7.3
69.07079	2.4
69.76872	13.1
71.04974	2.6
78.04704	3.3
79.05500	9.9
81.03413	19.1
81.07059	7.3
83.05029	3.0
83.08596	2.3
85.02897	5.8
85.06570	2.3
91.05481	13.3
93.07069	6.9
94.04176	4.0
95.04976	9.2
95.08630	3.1
97.02931	2.3
97.10108	1.9
103.05476	5.1
105.07021	10.0
107.04964	14.0
107.08601	4.1
109.02899	3.5
109.06583	2.6
109.10146	9.4
111.04438	2.1
111.51779	1.8
115.05461	10.6
117.07009	10.8
119.04929	3.0
119.08586	6.7
120.94013	1.8
121.06479	5.1
121.10162	1.9
122.03638	10.6
123.04432	5.8
124.05230	3.3
125.06016	4.2
127.03941	4.5
128.06213	2.1
129.07033	2.2
131.04939	6.2
131.08578	3.0
133.02873	2.6
133.06519	6.2
135.04420	2.1
137.05975	100.0
139.07603	2.5
143.04904	2.9
144.05682	3.7
145.06499	16.8
147.04448	3.3
147.08051	3.9
149.06010	5.5
151.03900	20.5
151.07597	5.9
153.01830	7.6
153.05438	4.7
155.06001	2.6
159.08183	2.3
161.06000	13.1
163.07495	4.3
167.07039	80.4
169.06610	2.0
173.06000	13.1
173.11690	1.9
175.07533	4.6
177.05528	3.9
179.07030	4.6
181.05000	16.7
181.06435	3.6
181.08560	3.0
187.07613	3.5
189.05440	2.6
190.06334	2.0
191.07060	8.1
193.08646	4.8
193.12218	2.7
195.06509	4.6
197.06013	3.1
203.06978	3.8
205.06731	3.3
205.08545	13.3
207.06529	8.3
207.10101	3.3
209.06114	3.4
209.08022	3.7
211.07649	3.1
211.13235	4.0
217.08632	7.3
219.10141	3.3
221.08089	3.1
223.07545	2.6
223.09645	3.3
225.05518	2.4
229.08661	2.8
233.08099	8.3
235.07504	4.4
235.09624	20.5
240.07881	2.8
241.08632	5.4
247.07541	3.3
253.05023	2.2
254.05792	2.1
263.09299	2.3
264.07867	2.2
265.08630	2.5
266.99734	4.3
268.07056	2.1
269.08154	4.6
285.80405	2.2
289.10806	3.0
290.09363	2.2
293.08142	3.1
294.08810	2.3
295.09613	3.2
299.05737	2.6
301.10745	6.3
303.04996	3.5
307.09634	4.8
309.07507	2.9
311.09161	2.9
314.07828	3.6
321.07324	2.4
323.09415	2.8
327.12476	2.9
329.10364	14.5
331.11975	3.0
336.09888	2.1
337.10538	2.9
343.11804	3.0
351.12253	4.7
353.10074	2.7
355.11774	4.9
363.12488	2.2
369.13257	5.7
381.13510	4.3
383.14957	3.6
385.13016	4.6
395.14810	2.9
397.12729	3.8
399.14441	3.0
411.14316	4.7
422.06836	4.1
425.94525	2.1
441.15680	3.1
459.16504	22.7
479.33264	2.1
486.46887	2.2
535.19550	4.1
540.91907	2.4
547.20111	4.5
550.72681	2.1
553.20728	9.7
565.20654	19.0
583.21570	27.1
583.30615	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	583.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.9
55.01852	2.9
55.05505	2.4
57.03435	2.3
61.68722	1.2
63.56821	1.3
65.03929	5.3
67.05506	9.8
69.03412	5.5
69.07073	2.2
71.04999	2.1
71.58229	2.5
75.79881	1.4
77.95650	1.4
78.04700	3.2
79.05486	10.5
81.03423	19.4
81.07055	8.8
83.04956	2.0
83.08602	2.5
85.02884	5.4
85.06520	2.3
86.16719	1.4
91.05486	20.6
93.07050	7.8
94.04182	5.5
95.04977	8.2
95.08614	3.5
97.02827	1.7
97.06528	2.2
103.05476	7.2
105.07037	12.6
106.04185	2.4
107.04952	13.3
107.08574	3.3
109.02877	4.0
109.06517	7.3
109.10143	7.0
110.53146	1.4
111.08083	2.2
115.05454	13.3
117.07019	11.4
119.04944	63.0
119.08585	5.2
120.02021	1.5
121.06508	4.4
121.10157	1.7
122.03647	10.2
123.04425	5.6
124.05212	4.4
125.05954	3.3
125.09615	1.9
127.03912	3.9
128.06241	1.9
129.07010	2.9
131.04903	4.5
131.08592	3.5
132.05742	1.9
133.02861	2.9
133.06494	9.4
133.10094	1.7
135.04401	1.8
137.02313	2.4
137.05975	100.0
143.04903	2.9
144.05679	3.6
145.06491	18.9
145.10030	1.6
146.03580	1.6
147.04387	2.3
147.08029	4.2
147.11685	1.6
149.05913	3.2
151.03900	17.2
151.05009	3.0
151.07498	2.7
152.04677	2.9
153.01862	9.3
153.05464	3.1
155.06010	3.6
156.05695	3.4
157.06505	1.6
159.08105	3.3
159.11635	1.8
161.05997	15.8
163.07509	2.5
165.05470	2.2
167.07034	86.5
171.04282	1.6
173.05978	11.6
173.13274	1.9
175.07536	6.0
177.05516	4.9
179.07063	5.9
181.04944	15.2
181.06424	2.6
181.08607	3.1
187.07532	5.8
189.05438	3.0
189.09053	1.6
190.06252	4.5
191.07030	4.9
192.07678	1.8
193.08659	8.7
193.12148	2.0
195.06520	3.6
197.05986	3.1
198.06792	2.1
201.05563	2.1
203.07002	3.0
205.08585	15.0
207.06560	10.7
207.08255	2.2
207.10193	3.2
209.06004	1.9
209.07899	1.7
211.07452	3.2
211.13214	1.8
213.09242	1.5
217.08600	8.6
218.07283	1.6
219.08257	2.2
219.10168	4.9
221.06096	1.7
221.08006	3.5
225.05417	2.6
225.09082	2.2
226.06050	2.9
227.07025	1.7
229.04887	2.1
229.14296	1.6
231.10486	1.6
233.07948	7.1
235.07555	3.1
235.09641	18.5
240.07835	2.1
241.08589	6.4
242.05559	1.7
243.06564	2.1
247.09668	3.3
248.08066	1.7
249.09113	2.9
253.08783	1.7
255.06601	2.1
257.08145	6.7
263.06808	2.1
263.09229	1.8
264.07822	2.4
265.10907	2.1
268.07242	2.9
269.08029	6.1
271.05789	2.7
275.06918	1.8
276.07852	2.4
277.08487	2.4
279.06519	3.3
281.10355	3.2
283.09625	3.5
289.10806	2.8
291.06796	1.7
291.10156	1.7
293.08047	2.5
295.09579	3.9
296.06686	2.2
297.07584	2.8
299.05563	2.5
301.10709	6.6
303.04965	47.9
307.09622	4.7
313.10669	1.7
314.07642	1.9
315.12231	2.0
321.11282	2.6
323.09006	2.5
327.11996	2.7
329.10327	11.5
330.10794	2.3
331.11685	4.2
337.10706	3.5
343.11768	2.8
347.11975	1.4
349.10730	1.9
351.12219	4.8
355.11728	2.8
367.11603	2.9
369.13315	5.6
373.12628	1.8
379.11954	1.9
381.13391	6.8
383.14691	4.3
385.12762	4.6
387.13864	1.8
397.12817	2.0
399.14285	6.5
411.14413	5.3
429.15482	3.5
441.15411	4.5
459.16440	19.9
535.19110	2.0
547.19250	6.0
553.21198	8.5
565.20447	21.6
565.28589	2.4
583.21558	19.1
583.29871	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	583.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01867	1.6
55.05509	2.2
57.03420	1.3
61.53817	0.8
65.03934	3.6
66.46308	0.8
67.05512	8.0
68.41228	0.9
69.03429	6.5
69.07056	1.7
71.04990	2.9
75.91703	0.7
79.05467	4.1
81.03411	17.8
81.07048	4.5
83.05002	1.5
83.08641	2.0
85.02910	6.3
85.06538	1.7
91.05476	16.2
93.07036	9.4
95.04948	4.3
95.08614	1.6
97.02885	9.9
97.06523	0.9
99.04469	2.5
103.05478	1.1
104.10743	1.2
105.07023	2.9
107.04934	2.4
107.08572	2.1
109.02869	7.7
109.06509	11.7
109.10139	5.4
111.00780	1.5
111.04427	1.4
111.08056	1.2
114.26749	0.8
115.05457	1.3
117.07013	1.5
119.04937	100.0
119.08570	2.3
121.02869	1.2
121.06458	1.5
121.10143	1.2
122.03637	1.1
123.04388	1.4
123.08109	1.2
125.05997	1.4
127.03912	8.2
129.06978	0.9
131.04948	1.6
131.08603	1.5
133.02818	2.3
133.06427	1.4
133.10141	1.3
135.04422	7.7
135.11708	1.1
137.02338	2.3
137.05974	21.8
143.04939	1.6
143.08539	0.9
145.04985	2.0
145.06462	1.6
145.10056	1.2
147.04353	0.9
147.08026	1.0
147.11667	1.8
149.05943	1.0
149.09534	1.0
151.03896	2.8
153.01820	11.3
153.05489	1.1
159.04390	1.1
161.05981	3.4
161.09659	0.8
165.01865	1.4
167.07039	10.9
173.11728	1.2
175.07500	1.4
175.14519	0.8
177.05499	1.5
181.04973	3.2
191.07013	2.2
193.08534	1.2
193.12236	1.8
201.05428	2.4
205.08604	1.1
207.06523	0.9
209.08080	1.1
211.13338	2.6
229.04996	3.9
233.08084	1.3
257.04468	2.3
263.09149	13.9
266.13007	0.8
281.10202	1.1
285.03769	1.5
287.05508	3.7
303.04965	80.6
327.12350	1.0
329.10229	1.1
345.05783	1.6
355.17520	0.8
357.13318	1.9
387.14505	2.5
411.14496	0.8
459.16840	1.8
565.20599	1.2
582.34637	1.0
583.21240	2.5
583.30255	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	582.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	7.6
67.05500	7.9
69.03436	14.6
69.07051	6.1
70.06570	5.8
70.61006	4.8
71.57253	10.1
73.06583	4.9
79.05478	17.0
81.03407	10.2
81.07040	13.3
85.02898	21.8
85.06541	8.1
85.18180	5.4
87.21043	5.0
88.83433	4.5
91.05477	10.8
93.07057	7.6
95.04958	22.7
95.08585	7.5
97.02879	11.0
103.05491	6.6
105.07001	5.9
107.04950	24.8
107.08567	6.2
109.02880	5.6
109.06484	7.5
121.06540	9.8
123.04426	28.2
127.03928	7.6
131.08548	8.3
132.05721	5.5
133.10161	9.0
135.11745	7.4
137.05971	14.8
137.09583	11.2
139.07536	6.3
140.04625	6.7
145.04926	6.1
145.06491	22.1
149.05956	6.3
151.07504	6.0
152.04813	4.9
153.01825	26.8
153.05470	6.1
155.07013	12.9
156.05719	7.2
157.06531	7.1
159.08073	13.9
161.06015	9.9
165.79524	5.4
167.07039	88.1
173.06009	25.3
173.13202	5.3
177.12740	14.6
182.09346	10.6
183.06616	28.6
184.07306	11.6
190.06236	8.8
195.13820	11.2
203.06950	6.4
205.08516	28.3
208.36517	5.4
210.08855	12.8
217.08539	53.7
218.07224	5.4
218.09233	9.3
219.08109	7.5
219.10156	15.8
220.10806	8.8
231.07945	7.1
233.09637	7.0
238.12007	7.6
241.14287	7.6
247.07550	11.0
248.08240	9.3
248.10547	10.3
249.11116	9.1
250.17995	7.6
261.09167	8.4
263.07108	7.1
264.07834	6.9
277.08640	8.6
278.09250	8.6
279.10214	9.2
293.08466	7.9
293.11734	8.6
307.09766	13.5
311.12869	11.1
312.75671	5.1
315.99176	4.9
321.11172	8.2
329.10349	10.9
339.11902	8.4
369.13120	26.4
371.14886	82.1
387.14188	12.1
389.16068	13.5
401.15936	100.0
402.16812	37.9
419.16824	9.3
420.17685	14.1
429.50250	5.9
591.33716	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	580.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44274	6.2
53.03910	9.1
55.05513	33.9
57.03421	18.1
61.94528	4.5
65.03916	9.1
67.05508	94.0
68.05827	12.0
69.03421	8.6
69.07062	27.9
71.04984	7.2
73.24187	5.2
75.18835	5.4
79.05488	67.0
80.05800	12.4
81.03415	52.6
81.07053	100.0
82.07384	9.1
83.04971	17.7
83.08622	27.4
85.02895	12.7
85.06545	9.1
87.64352	5.6
91.05466	62.5
92.05801	9.1
92.29629	5.5
93.07049	66.0
94.07349	14.6
95.04953	25.7
95.08598	63.1
97.02882	6.4
97.06503	8.7
97.10139	11.7
100.78568	6.1
105.07024	42.8
106.13678	6.5
107.04948	9.0
107.08567	36.7
109.06517	11.7
109.10150	33.3
111.08070	6.7
117.07066	12.5
119.08567	27.3
121.10134	33.8
122.10493	7.3
123.11736	8.2
125.09640	6.0
129.06992	18.2
131.08554	36.2
132.08891	9.9
133.10115	18.6
134.10513	6.5
135.11668	13.4
145.06430	6.7
145.10123	15.3
147.11671	22.8
149.09587	10.3
149.13269	7.8
157.10121	12.3
193.12265	25.3
209.11784	9.5
211.13274	45.0
261.22232	8.3
267.15866	6.7
285.16995	36.6
315.23813	6.5
335.25821	70.2
428.02020	5.8
544.36499	12.2
545.38544	54.6
562.37909	19.3
580.39404	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	581.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89027	4.2
53.03938	9.5
54.26743	4.1
55.01865	9.7
55.05511	31.1
57.03430	9.2
58.42545	4.2
59.04978	7.1
63.84020	4.5
65.03954	5.0
67.05504	100.0
69.03426	35.5
69.07062	9.9
71.04977	8.2
71.58183	4.7
79.05487	37.1
81.02984	7.7
81.03421	87.6
81.07055	62.3
83.01355	6.6
83.04973	25.6
83.08620	19.6
85.02870	12.9
85.06534	6.3
89.56457	4.2
91.05475	32.4
93.07041	38.7
95.04959	14.9
95.08588	15.5
95.17598	4.5
95.68748	4.6
97.02885	17.3
97.06493	8.2
97.10134	9.7
99.04427	7.1
105.06995	24.3
107.04927	15.4
107.08601	21.5
109.02891	29.1
109.06489	7.0
109.10149	70.9
111.04454	27.9
111.08105	6.0
112.85850	4.3
117.07001	9.3
119.08585	17.2
121.06510	6.6
121.10137	12.4
123.08024	11.0
125.09663	8.4
127.03912	23.0
129.07069	5.6
131.08586	7.7
133.10147	12.3
133.40994	4.6
133.60399	5.0
135.08124	4.1
135.11662	15.7
137.09634	7.4
142.64572	4.1
145.10130	19.2
147.11682	5.5
149.09630	6.1
153.12746	13.1
163.11206	23.7
173.11787	22.1
181.12213	9.3
185.13252	5.1
189.11206	12.4
191.10675	7.2
207.92059	4.6
209.11719	11.4
227.12691	22.7
229.14316	6.0
281.13736	5.1
287.03506	4.7
296.23343	5.3
299.14780	12.5
353.15952	4.4
355.17239	6.8
397.53171	4.5
437.25302	7.2
529.15015	5.3
581.29395	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3891
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
53.03938	3.3
55.01871	6.9
55.05511	35.9
57.03433	12.6
57.07060	5.4
59.04977	3.5
64.74103	2.6
65.03927	4.0
67.05505	100.0
67.95578	2.6
69.03431	5.0
69.07071	27.7
69.44684	19.2
69.45099	3.7
71.04977	11.7
71.08624	2.9
79.05492	52.8
81.03424	13.1
81.07053	80.5
83.04969	10.9
83.08609	19.7
85.02905	2.9
85.06538	6.0
86.86608	2.2
91.05478	46.0
93.07040	61.8
95.04955	13.5
95.08602	55.9
97.06525	9.6
97.10172	17.4
98.20801	5.3
99.08078	3.3
105.07035	36.0
107.04976	4.0
107.08591	38.8
109.06499	3.5
109.10162	42.0
111.04427	3.0
111.08064	4.8
111.11728	3.8
113.09624	4.0
117.07015	13.7
119.08572	28.7
121.10138	36.7
123.08070	8.4
123.11687	7.0
125.09622	8.6
128.06247	3.1
129.07019	7.3
131.08571	27.8
133.10139	20.6
135.08080	5.9
135.11685	17.6
137.09656	4.2
139.11168	10.4
142.07747	3.3
143.08537	8.7
145.10143	14.9
147.08080	3.2
147.11679	15.3
149.09599	8.7
149.13275	6.3
151.11211	3.0
155.08582	4.3
157.10112	8.5
159.11707	10.7
161.13214	7.1
163.11172	6.0
165.12706	3.5
173.09593	4.7
173.11810	6.5
173.13188	6.7
185.13266	3.1
187.14812	2.5
193.12161	5.6
195.37006	2.8
199.14844	3.1
208.73041	2.3
209.11694	2.8
211.13200	5.2
227.12770	11.0
229.14296	12.5
245.13809	6.1
257.73325	2.5
259.20544	4.4
261.22116	8.5
267.15948	5.3
277.21606	7.3
301.16412	8.1
303.22952	3.0
317.24625	4.8
333.24167	4.4
335.25891	10.3
433.30795	3.3
451.31879	5.2
469.32965	6.8
486.19153	2.9
487.34048	4.7
489.35504	13.7
543.36792	13.3
561.37848	22.3
579.38788	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07780	6.4
53.03931	11.9
55.01865	16.6
55.05510	45.5
56.98931	6.5
57.03435	26.6
61.02918	14.5
65.03928	8.3
67.05500	100.0
69.03427	8.7
69.07051	53.5
70.06595	7.6
71.04990	8.5
71.56198	6.6
71.58112	9.1
76.69134	7.5
79.05492	54.1
81.03410	23.1
81.07055	84.7
83.04977	13.2
83.08602	11.5
85.02905	16.9
85.06532	14.0
91.05478	41.0
93.07041	56.1
93.25827	7.8
95.04974	27.7
95.08606	58.5
97.02874	8.7
97.06537	22.6
105.07032	60.6
107.04963	14.5
107.08604	30.8
109.06510	12.5
109.10160	38.3
117.07021	11.5
119.08593	31.8
121.10109	16.8
123.08060	7.4
125.09566	9.0
127.03849	8.9
129.06990	9.1
131.08582	24.4
133.10127	30.1
135.07996	7.4
135.11665	16.9
145.10115	20.7
147.11703	17.8
149.09685	20.9
149.13319	8.5
159.11739	20.2
163.11230	9.9
167.07135	12.9
173.11777	12.2
173.13206	9.4
229.14372	29.8
254.05289	8.0
257.18964	13.2
263.63199	7.3
275.20041	43.4
349.23752	81.4
367.24832	10.5
391.46320	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	579.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.5
55.01863	8.6
55.05511	35.8
57.03429	20.8
57.07060	6.5
65.03930	6.5
67.05503	93.8
69.03412	7.5
69.07069	32.5
70.05719	4.2
70.06014	12.7
71.04985	12.0
71.08626	3.2
79.05488	61.4
81.03426	24.3
81.06582	5.3
81.07056	100.0
83.04993	15.8
83.08234	2.1
83.08626	26.4
85.02895	10.0
85.06528	6.7
88.61736	2.7
91.05473	51.5
93.07050	67.7
95.04966	23.4
95.08603	70.7
97.02894	3.3
97.06513	14.3
97.10158	15.8
97.88385	2.5
99.08085	4.6
104.59869	2.4
105.07027	42.9
107.04945	8.2
107.08576	39.1
109.06515	10.7
109.10152	39.5
111.04420	2.5
111.08096	8.6
117.06991	18.7
119.08574	39.2
121.06528	6.8
121.09340	2.5
121.10149	34.3
123.08068	6.5
123.11697	11.9
125.09623	7.4
128.06207	4.7
129.05472	5.8
129.07011	12.9
131.08574	31.1
133.10129	28.0
135.08049	5.6
135.11696	21.3
137.09612	7.1
137.13187	3.4
139.11197	6.8
142.07756	3.1
143.07045	3.4
143.08572	8.0
145.10112	20.1
147.08047	3.8
147.11679	21.9
149.09639	12.1
149.13240	8.0
151.11143	5.2
153.12703	2.5
155.08542	3.5
157.08614	4.2
157.10086	10.8
159.11713	12.8
161.13228	7.4
163.11194	6.1
165.12764	4.6
171.11650	4.7
173.11855	3.3
173.13290	9.9
175.11079	5.8
175.14763	4.4
183.11644	3.9
185.11665	2.8
185.13278	6.3
187.14845	4.8
189.09598	2.5
189.11211	6.5
189.12741	4.0
191.10713	3.5
193.12224	18.9
197.13222	2.9
199.14836	4.5
209.11665	5.5
209.13405	3.5
211.13266	18.2
227.12729	5.9
229.14308	5.7
241.14372	4.2
241.19368	3.4
244.67552	2.4
247.16859	2.9
259.20685	6.1
261.22141	9.7
267.15967	8.9
273.22141	2.8
277.21655	18.7
279.23071	3.9
285.17099	11.6
289.21759	3.0
293.21115	3.0
295.22476	5.7
301.16486	6.4
301.21570	4.3
303.23053	4.3
315.23163	4.8
317.24612	3.2
333.24158	3.5
335.25916	9.1
351.25220	10.4
360.81598	2.6
451.32278	4.7
469.33438	5.5
487.33978	5.8
503.26944	2.7
517.35254	5.6
525.36212	4.8
529.38086	5.3
535.36566	2.9
543.36835	9.5
545.38074	3.6
556.84705	2.9
561.37653	27.1
579.39038	21.8
593.93921	2.7
604.56781	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	579.1831
Annotation	Kadsulignan E
Peak:m/z	Relative Intensity
51.20190	1.6
71.57790	2.4
81.03415	1.9
92.86816	2.1
97.06459	1.7
102.69958	1.7
109.02985	1.9
118.94550	1.9
123.04487	2.1
131.04987	1.8
153.01817	6.4
167.07016	20.9
173.05981	3.6
181.04997	6.3
242.04788	2.4
299.05322	2.3
307.08633	2.6
387.14542	5.0
417.15833	2.6
579.18488	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3889
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
53.03936	4.4
55.01859	7.4
55.05510	39.5
57.03431	11.8
57.07066	5.2
59.85671	2.8
65.03938	5.0
67.05505	91.7
69.03429	6.6
69.07071	37.6
71.04987	12.8
79.05494	70.6
81.03419	18.2
81.07059	100.0
83.04965	15.6
83.08617	24.3
85.02899	5.1
85.06549	9.9
85.46686	2.9
91.05479	66.8
93.07042	69.4
95.04979	16.3
95.08607	72.2
96.08933	4.5
97.06512	15.0
97.10154	14.6
98.21519	8.4
99.08108	4.2
105.07028	45.8
107.04977	10.5
107.08592	42.4
109.06538	10.0
109.10152	40.1
111.04494	5.3
111.08086	8.6
115.05464	3.1
117.07063	19.4
117.07732	3.1
119.08582	37.6
120.08929	3.5
121.10142	43.2
123.08062	6.3
123.11731	8.1
125.09657	14.5
129.05461	6.7
129.07016	11.3
130.53969	3.5
131.08556	31.4
133.06459	4.0
133.10110	24.3
135.08057	8.5
135.11690	26.7
137.09601	7.8
139.11182	7.6
143.08556	8.6
145.10086	21.4
147.08032	4.4
147.11673	18.0
149.09610	10.8
149.13264	8.1
151.11226	5.6
157.08717	3.3
157.10155	10.9
159.08080	4.4
159.11674	17.0
161.13310	15.2
163.11171	10.3
163.14815	4.1
165.12730	5.3
169.10081	4.2
171.11700	9.3
173.11743	7.3
173.13266	12.8
175.11217	6.8
175.14819	4.6
179.10654	3.4
187.14784	4.2
189.11183	5.5
191.10687	4.5
191.14250	3.8
193.12158	14.2
199.14842	3.5
203.12856	4.6
206.31773	3.7
209.11607	16.1
211.13237	7.9
221.15559	3.7
227.12827	10.7
228.41713	3.5
229.14366	8.5
235.16991	3.4
243.15947	4.4
259.20599	5.5
261.22147	5.5
267.15656	4.5
271.20801	3.6
275.20178	3.9
277.21643	13.5
283.15396	4.3
285.17023	5.8
287.20129	3.3
289.21802	5.3
301.16559	4.2
303.23141	7.0
315.23312	4.6
333.24161	4.2
335.25873	7.4
348.32394	3.5
351.25418	8.5
377.26926	3.8
451.31955	7.9
469.32977	8.1
484.24783	3.5
487.34415	4.9
517.35278	3.8
543.36761	18.8
545.38007	4.2
555.37524	3.7
561.37836	31.3
579.39087	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	579.1494
Annotation	Kaempferol 3-(6''-(Z)-cinnamylglucoside)
Peak:m/z	Relative Intensity
53.03939	1.2
57.03424	0.4
57.07067	0.5
60.01696	0.4
63.02334	0.3
67.05508	1.4
68.99770	0.6
69.03416	1.6
69.07059	0.6
71.57933	0.4
71.58415	0.5
77.03912	0.5
79.05488	0.8
81.03401	2.9
81.07052	1.6
85.02921	1.9
85.03461	0.3
85.06533	1.0
91.05471	1.2
93.07032	1.2
95.04958	2.2
95.08598	1.1
97.02895	1.2
99.04484	0.4
99.57751	0.4
103.05464	34.1
104.05791	0.4
105.07034	1.9
107.04943	0.9
107.08596	0.9
109.02879	1.2
109.06491	0.6
109.10149	1.0
117.06997	0.6
119.04951	0.4
119.08558	1.0
121.02863	1.7
121.06445	0.8
121.10175	0.4
123.04458	0.4
123.08079	0.5
123.11733	0.5
127.03914	1.0
131.04926	100.0
132.05251	0.9
133.02840	0.5
135.08032	0.5
135.11691	0.6
137.02362	0.5
137.05975	0.9
145.05009	0.5
145.06514	0.8
147.04401	0.9
149.05992	2.7
149.09726	0.5
151.07608	0.4
153.01825	4.0
153.05458	0.5
159.08034	0.5
161.05862	0.6
165.01848	1.2
167.07069	3.1
173.06015	0.4
173.13211	0.3
177.05440	0.9
181.04932	1.6
183.02853	0.9
189.05634	0.4
191.07019	1.2
213.05463	1.2
231.06451	0.6
241.04947	0.6
249.05171	0.4
258.05209	0.7
259.05920	0.5
275.09216	2.2
287.05493	63.5
288.05920	1.1
293.10196	2.7
329.06677	0.8
339.12866	0.4
395.07404	0.7
465.96225	0.5
547.19666	1.7
579.21259	0.8
579.32019	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	8.3
55.05293	4.7
55.05515	44.5
57.03435	20.1
58.83119	5.1
59.04994	5.6
64.28555	4.8
67.05180	7.0
67.05510	100.0
68.46411	5.2
69.07054	28.6
70.71458	16.8
71.04979	19.9
71.80954	4.9
79.05493	73.8
81.03410	23.9
81.07052	98.0
83.04939	7.6
83.08601	16.9
85.06567	10.0
91.05474	67.1
93.07041	77.9
95.04967	16.1
95.08611	71.6
97.06522	11.5
97.10155	21.0
105.07035	64.7
107.08602	53.4
108.65166	5.6
109.06526	15.7
109.10165	36.1
109.10799	6.1
110.16050	6.1
117.07006	20.3
119.08578	57.6
121.06499	9.0
121.10138	36.3
123.11664	7.0
125.09628	14.3
129.06993	12.5
131.08571	37.4
133.10129	30.0
135.11676	19.5
135.19759	5.0
143.08539	17.1
145.10110	27.7
147.07797	5.7
147.11684	23.0
149.13278	14.3
153.46054	5.3
155.08557	7.4
157.10129	20.1
159.11697	23.8
161.13264	21.7
165.12907	6.6
169.10114	12.9
171.11714	17.0
173.13231	15.8
183.11703	10.5
185.13307	8.2
187.14766	8.3
189.11194	15.1
197.13246	5.6
227.12811	18.4
261.22119	12.9
267.15903	25.0
285.22186	5.6
301.25308	14.1
303.23123	9.1
317.24826	7.1
335.25812	18.8
345.24527	7.3
435.32581	18.2
453.33664	23.4
509.36459	7.5
527.37372	64.9
545.38434	51.8
559.40039	11.7
577.39862	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	577.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.4
55.01877	4.7
55.05512	37.3
57.03439	15.8
57.07071	6.5
59.04999	3.6
65.03938	3.8
67.05505	90.0
69.03428	5.5
69.07060	32.8
71.04999	16.9
79.05495	74.1
81.03420	24.4
81.07055	100.0
81.07526	5.9
82.07405	4.0
83.04977	13.8
83.08614	19.3
85.06532	8.8
91.05470	41.4
93.07043	75.4
95.04980	16.6
95.08606	68.8
97.06521	12.9
97.10156	18.9
99.08092	5.8
100.25825	3.1
105.07029	56.2
107.04949	7.2
107.08599	43.0
109.06539	8.7
109.10156	30.3
111.08072	5.3
114.50702	3.1
115.05513	3.6
117.07043	18.0
119.08574	36.1
121.06495	4.5
121.10136	30.7
123.08073	7.2
123.11703	12.2
125.09641	15.6
129.07007	13.4
131.08582	30.7
133.10136	30.3
135.08032	4.9
135.11676	19.7
135.58768	2.9
137.09613	6.1
137.13310	5.8
143.08565	13.2
145.10129	29.1
147.11697	19.3
149.09627	9.0
149.13301	8.5
151.11201	6.9
153.09082	3.5
155.08612	8.2
156.11934	3.1
157.10159	20.1
159.11676	18.5
161.09612	6.0
161.13307	8.8
163.14870	5.4
165.12717	4.6
167.10649	3.2
169.10103	6.1
171.11705	11.2
173.13266	15.7
175.14885	5.0
177.12802	5.3
181.10114	5.0
183.11603	4.1
185.13286	7.3
187.14857	5.5
189.11211	7.0
193.12259	8.7
195.11589	4.8
197.13306	4.1
199.14842	6.7
207.11787	3.6
211.14871	5.1
213.16382	3.3
217.19412	3.2
218.24973	3.0
227.12691	14.1
227.16267	3.0
229.70815	4.4
239.16408	5.0
241.19585	3.8
243.21367	3.7
259.20667	6.4
261.22168	12.1
265.19730	3.4
267.15958	24.4
269.17459	6.1
273.18427	3.8
285.22156	6.5
287.23785	3.4
289.21542	5.1
291.19550	8.6
301.25305	10.0
303.23050	3.6
315.23059	4.3
317.24689	3.3
333.24063	4.8
335.25723	19.6
365.24106	3.4
404.92621	3.4
417.31592	3.9
435.32349	18.3
453.33627	13.5
471.34607	8.2
509.36603	3.6
527.37341	51.6
541.35040	4.0
545.38275	38.7
559.36755	6.4
577.38959	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
55.01888	4.8
55.05507	45.1
57.03428	11.9
59.05005	6.6
67.05502	94.3
69.07066	25.5
69.32201	27.5
69.32627	10.8
71.04994	20.6
77.03922	4.0
79.05495	62.9
81.03411	22.2
81.07055	100.0
83.04974	9.5
83.08618	20.6
85.06538	16.3
91.05474	62.2
93.07045	72.8
95.04964	11.9
95.08605	71.1
97.06509	10.0
97.10147	19.2
98.21451	6.9
99.08085	5.1
105.07030	62.5
107.08588	48.9
109.06519	7.3
109.10153	30.2
111.08075	8.4
117.07011	20.9
119.08575	52.5
121.10143	30.1
123.08089	7.0
123.11710	7.2
125.09640	16.1
128.05235	3.7
128.06181	5.2
129.07018	20.5
131.08542	40.0
133.10150	24.4
135.11694	16.2
137.09628	5.0
137.13290	5.4
139.11221	5.2
143.08572	16.3
145.10088	28.2
147.08040	5.8
147.11682	21.6
149.09615	4.3
149.13345	8.7
155.08589	7.8
157.10149	15.9
159.11708	22.1
161.09619	5.4
161.13297	14.1
163.14763	3.6
165.12881	4.2
169.10063	5.9
171.10306	3.8
171.11728	11.3
173.11917	4.1
173.13287	13.5
174.38570	3.5
175.11287	5.2
175.14868	4.8
177.12718	3.8
183.11688	8.5
185.13287	10.8
187.14836	8.9
189.11243	9.0
193.12300	8.7
197.13324	7.6
199.14915	8.4
201.16418	3.8
209.13103	3.9
217.15891	4.2
227.12804	19.1
239.16469	5.6
261.22070	9.9
267.15863	29.4
287.23895	4.0
299.23889	5.9
301.25272	11.8
317.66913	4.5
327.23505	4.3
335.25842	13.1
363.25339	9.4
435.32544	12.5
443.55600	4.1
453.33731	16.0
471.34717	8.5
494.60379	4.0
527.37390	57.3
545.38275	44.9
559.40167	11.7
577.40576	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	577.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.3
55.01863	6.3
55.05505	36.6
57.03433	10.2
57.07072	6.5
59.35588	2.5
65.03937	4.6
67.05499	100.0
69.03425	5.1
69.07060	23.5
70.11182	13.3
71.04988	7.7
79.05489	52.4
81.03409	4.5
81.07048	96.4
83.04970	10.7
83.08612	24.8
85.06548	3.7
91.05461	45.6
93.07033	68.0
95.04964	13.6
95.08596	64.6
97.06519	9.5
97.10157	23.8
99.08123	3.5
105.07021	47.6
107.04939	7.4
107.08586	40.2
109.02887	7.6
109.06490	3.2
109.10146	37.9
111.04385	4.4
111.08087	6.4
117.06995	17.8
117.41842	2.6
119.08568	36.4
119.87453	3.0
121.06525	4.0
121.10130	29.2
123.11701	13.3
125.09608	22.1
129.07008	10.0
131.08537	24.6
133.10109	50.7
135.08058	6.6
135.11688	25.0
137.09616	5.6
141.06963	4.0
143.08568	11.6
145.10085	24.4
145.11040	2.9
147.08124	3.0
147.11688	13.5
149.09579	4.0
149.13239	11.5
151.11172	15.2
153.09146	2.5
153.12579	2.6
155.08557	5.9
157.10153	9.0
159.11710	12.8
161.09604	14.9
161.13284	8.0
163.11168	8.1
163.14789	7.6
169.10124	6.9
171.11673	10.7
173.13281	11.9
175.11218	4.4
179.10628	4.5
183.11655	4.6
183.81160	2.3
185.13313	6.4
189.09166	5.2
189.11220	13.7
194.35948	2.8
197.13234	3.9
199.14836	5.4
207.10187	4.0
209.13229	3.1
213.16350	2.7
215.12900	3.6
225.11176	13.2
227.12801	21.6
241.19518	3.5
243.12192	5.3
259.20593	5.1
261.22113	20.7
277.21680	4.9
279.23120	8.0
281.14014	4.6
287.23703	4.5
291.19434	4.1
299.14838	24.3
301.16727	3.4
315.23206	8.6
317.24698	4.1
333.24127	5.0
335.25842	18.3
383.13110	2.7
421.31042	7.2
439.31766	9.3
449.30286	7.1
467.31531	11.1
485.32535	11.1
513.35693	10.6
519.36774	5.5
527.37561	5.0
531.36737	8.2
541.35205	20.1
545.37994	5.9
559.35956	23.0
577.37451	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	577.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.4
55.01868	17.6
55.05264	3.3
55.05507	36.5
55.66059	2.1
57.03431	14.4
57.07056	2.1
60.63188	1.8
65.03944	5.4
67.05499	69.4
69.03414	8.9
69.07056	26.2
71.04985	7.5
71.58482	3.9
79.05486	57.9
81.03414	52.0
81.07050	100.0
83.04978	22.8
83.08612	29.6
85.02913	20.7
85.06533	7.9
91.05464	67.5
93.07037	49.3
93.07622	2.3
95.04959	33.1
95.08596	45.8
97.02890	3.5
97.06516	19.9
97.10159	10.0
99.08060	2.4
105.07025	61.5
107.04971	16.3
107.08585	37.2
109.02889	3.4
109.06511	13.6
109.10139	21.5
111.04450	5.7
111.08082	11.9
115.05421	3.2
117.07010	16.6
119.08562	44.4
119.09351	3.0
121.06524	6.9
121.10130	29.5
123.08084	8.7
123.11723	9.9
125.09605	11.9
127.03830	2.7
128.06279	3.2
129.06955	14.3
131.08577	23.8
133.06488	5.8
133.10118	32.3
135.08018	9.9
135.11679	9.2
137.06013	2.9
137.09619	9.2
139.07591	2.0
141.07034	3.7
142.07803	4.6
143.08563	7.3
145.06456	3.6
145.10109	19.3
147.08040	4.0
147.11673	33.1
149.09628	20.0
149.13295	5.9
151.11214	6.5
153.09047	2.6
155.08514	3.6
157.10120	16.0
159.11671	14.1
161.09602	4.4
161.13278	6.1
163.11154	9.7
163.14890	2.6
165.09126	2.4
165.12741	12.4
169.10100	3.9
171.11629	5.3
173.13260	6.9
175.11151	13.5
177.12755	2.1
181.12283	2.2
185.13333	2.7
189.11217	4.5
192.39226	2.3
193.12230	40.2
197.13300	3.1
201.12785	2.8
211.13255	44.5
211.14990	3.6
213.16193	2.8
227.12830	7.8
229.14357	2.9
229.19453	2.8
239.17990	4.1
246.13741	2.1
247.20557	4.9
257.18930	10.5
267.15979	15.1
275.20032	61.0
283.37231	2.1
285.16940	25.1
293.21094	9.5
306.32355	2.3
349.23691	21.6
381.22943	2.3
384.37079	2.2
449.30554	2.8
467.31534	4.5
485.32642	3.1
541.35016	8.1
559.36646	17.9
577.20233	4.9
577.37939	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	577.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67722	2.0
53.03936	8.4
55.01873	26.3
55.05511	43.4
57.03446	15.0
59.04991	2.3
65.03957	6.5
67.05505	82.9
69.03429	8.1
69.07065	35.1
70.01135	2.0
71.04990	7.9
71.08638	2.9
79.05491	74.0
81.03416	48.9
81.07057	100.0
83.04979	22.1
83.08617	28.0
84.24593	2.0
85.02906	21.2
85.06519	5.0
91.05479	86.0
93.07040	56.7
95.04965	41.0
95.08612	46.5
97.06536	33.1
97.10168	17.4
99.08068	3.8
105.07024	70.0
107.04961	22.9
107.08591	43.3
109.06508	15.4
109.10153	21.9
111.08091	14.3
115.05445	3.9
116.81387	2.3
117.07001	24.1
119.08582	54.3
121.06498	8.6
121.10142	24.0
122.21925	2.0
123.08066	11.3
123.11707	6.2
125.09658	13.6
128.06267	3.8
129.07016	14.9
131.08556	26.5
133.06516	5.7
133.10123	31.2
135.08040	9.0
135.11708	6.8
137.09604	5.4
139.11195	4.9
141.07045	2.1
142.07809	6.3
143.08557	7.8
145.06467	3.1
145.10121	23.7
147.08044	4.9
147.11681	30.8
149.09607	26.0
149.13274	5.4
151.11203	7.0
152.59456	2.3
155.08644	3.0
157.10109	15.4
159.11694	15.7
161.09619	2.2
161.13290	5.5
163.11198	11.4
165.12738	5.0
169.10172	2.9
171.11719	7.0
173.09558	2.4
173.13306	10.2
175.11179	16.5
175.14729	2.4
177.12817	2.9
177.25403	2.5
183.11719	3.7
185.13278	2.9
187.11278	3.7
187.14923	3.0
189.11176	8.7
189.12718	3.6
193.12219	39.8
194.65936	2.4
197.13286	2.9
204.14589	2.2
211.13255	48.4
219.17624	2.6
227.12871	13.5
229.19461	3.5
239.17920	3.4
247.20584	3.5
255.62054	2.2
257.18973	14.2
267.15814	14.4
275.20068	68.8
285.17004	26.3
291.19534	3.3
293.21109	8.9
349.23773	31.1
381.22940	2.7
389.28424	2.4
467.31326	3.2
479.29816	4.6
501.31476	2.4
541.34961	13.7
559.36334	24.4
577.37396	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2618
Annotation	3-Acetylcalcicolin A
Peak:m/z	Relative Intensity
53.39927	0.8
55.05518	1.3
55.17507	0.9
67.05505	2.8
69.03442	1.1
69.07075	2.6
71.19083	2.1
73.10402	1.0
79.05502	3.0
81.03428	3.3
81.07056	3.5
85.02917	1.3
91.05431	4.9
93.07059	3.6
95.05003	1.9
95.08631	3.3
97.06552	1.1
105.07051	3.5
107.04949	1.1
107.08618	2.4
109.10156	1.3
111.04479	1.0
111.08130	1.3
115.05444	1.1
117.07041	1.4
119.04996	2.9
119.08597	1.9
121.10164	1.8
127.03970	1.1
131.08575	1.1
133.06570	1.8
133.10158	2.3
137.06020	1.4
137.09602	1.2
147.04431	2.2
147.11768	2.0
149.05981	1.2
161.09694	1.2
163.07510	1.1
167.07076	2.8
175.03963	3.3
177.05490	1.2
181.05031	1.3
191.06973	1.2
203.05392	1.2
207.06548	5.7
337.17804	5.7
355.19022	4.0
405.18970	1.5
499.23065	20.3
517.24097	100.0
518.24799	1.9
577.26453	72.3
578.26978	1.6
578.43939	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.2
55.01879	31.5
55.05509	46.2
57.03443	19.6
57.07058	4.5
59.05008	4.0
61.21857	2.6
65.03933	7.6
67.05507	100.0
69.03431	4.2
69.06793	3.3
69.07076	37.2
69.94667	10.9
69.95074	6.7
71.04987	11.1
79.05061	5.6
79.05495	74.2
81.03416	39.6
81.06583	5.4
81.07059	89.7
83.04986	25.0
83.08622	26.7
85.02922	16.4
85.06547	6.4
91.05476	79.6
93.07046	72.6
95.04975	29.4
95.08611	47.2
97.06533	36.8
97.10169	22.8
98.98451	5.6
99.08095	4.6
103.05460	4.8
105.07033	77.5
107.04959	24.0
107.08596	35.7
109.06520	16.0
109.10165	41.5
111.04424	3.3
111.08083	12.2
115.01833	2.8
115.05421	4.8
117.07030	33.8
119.08585	46.9
120.79047	2.9
121.06497	10.1
121.10157	26.5
123.08061	10.4
123.11684	6.7
124.22851	3.4
125.09632	15.4
128.06207	6.8
129.05501	5.5
129.07019	20.0
131.08554	37.3
133.06508	8.6
133.10158	39.9
134.74380	3.0
135.08038	11.8
135.11725	13.6
137.09639	10.4
141.06969	5.2
142.07762	3.5
143.08562	11.1
144.09029	3.3
145.06572	3.4
145.10126	35.5
147.08044	8.2
147.11717	24.7
149.09642	21.1
149.13261	6.8
155.08511	3.4
157.10130	19.5
159.11684	16.4
161.09581	6.2
161.13254	6.8
163.11201	10.7
165.09131	5.1
167.08580	5.7
169.10097	7.8
171.11679	11.9
173.09631	3.6
173.11815	7.1
173.13252	13.8
175.11226	13.7
177.12755	6.7
179.14301	9.3
185.13367	3.8
187.11183	5.3
187.14818	3.3
189.11166	4.2
189.12706	3.4
193.12242	21.2
195.11772	3.8
195.94012	3.3
197.13272	7.5
199.14880	3.4
205.15901	3.5
211.13258	29.2
217.14278	3.6
219.17375	5.1
227.12720	7.7
229.14363	11.8
229.19510	4.3
236.12714	3.2
239.18117	3.4
247.20494	5.3
257.19003	8.9
259.20499	9.0
261.22104	3.5
267.15964	15.7
269.17520	6.6
273.18423	7.7
275.20087	67.3
277.21896	5.1
285.16946	28.2
291.19574	13.5
293.21164	10.4
315.23230	4.8
331.22601	5.1
349.23718	26.7
431.29083	4.1
449.30289	6.7
467.31165	5.3
485.32468	6.3
541.35034	18.5
546.27069	3.3
559.36121	38.9
577.37292	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3937
Annotation	Irumanolide I
Peak:m/z	Relative Intensity
51.49857	3.8
54.22345	4.2
55.01870	7.3
55.05507	40.6
57.03411	7.5
57.07056	13.0
59.78529	3.8
67.05499	100.0
67.12045	3.7
69.03409	5.1
69.07062	35.7
70.64536	17.8
71.08580	4.5
79.05487	55.6
81.03395	8.9
81.07050	77.2
83.04990	5.9
83.08610	20.0
85.06511	4.8
87.04431	6.9
91.05473	49.7
93.07029	55.4
95.04964	21.6
95.08595	75.5
97.06548	11.1
97.10138	16.2
105.07031	40.0
107.04927	14.8
107.08573	36.8
109.06516	8.3
109.10142	41.6
111.08034	5.5
117.07030	20.6
119.08576	33.6
121.06483	6.1
121.10111	18.2
122.97065	4.1
123.08062	6.3
123.11755	5.5
125.09618	15.0
129.06975	11.1
131.08536	22.6
133.10089	21.6
135.11664	8.9
137.13345	4.0
139.11195	4.5
141.07025	5.3
143.08492	16.7
145.10104	20.9
147.11691	20.1
149.13226	9.1
157.10097	9.1
159.11627	15.6
161.13268	10.7
169.10152	9.3
171.11627	9.1
173.11729	6.3
173.13202	9.6
177.12640	5.3
181.81880	4.2
183.11618	6.9
185.13239	6.7
187.14861	5.8
189.11198	11.5
193.12189	5.9
197.13222	4.3
202.06227	4.5
211.14949	6.0
223.13213	29.4
227.12819	13.1
229.14348	8.2
297.16861	9.8
329.24841	10.4
385.49313	4.5
403.28003	7.2
447.32501	7.5
483.34616	10.6
523.22607	4.8
539.37244	9.8
557.38171	37.8
565.35321	5.1
575.39941	33.5
575.50055	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	575.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.0
55.01868	14.2
55.05505	52.1
57.03435	15.7
57.07049	5.1
59.04969	2.4
59.08176	2.1
59.98602	2.0
65.03930	5.4
67.05499	94.8
69.03426	6.0
69.07066	25.9
69.30176	23.7
71.04991	13.9
78.45341	1.9
79.05489	72.0
80.24792	2.2
81.02985	3.8
81.03414	53.9
81.07050	99.7
83.04969	24.8
83.08610	30.3
84.49065	1.8
85.02895	21.3
85.06527	9.3
85.21343	1.8
91.05471	100.0
93.07036	73.2
95.04961	39.2
95.08601	57.5
97.02893	5.1
97.06536	16.5
97.10164	14.9
99.08067	8.2
103.05420	3.3
105.07021	80.7
107.04932	21.6
107.08588	44.7
107.60780	2.0
109.02861	3.1
109.06501	13.3
109.10140	31.9
111.04416	6.2
111.08068	11.1
113.05988	2.9
115.05432	6.1
117.07005	23.0
119.08578	51.5
121.06487	16.4
121.10126	25.3
123.04470	2.8
123.08051	10.7
123.11698	10.3
125.05968	2.9
125.09630	9.8
128.06221	5.7
129.07007	18.5
131.08548	35.9
133.06487	12.5
133.10123	55.4
135.08064	18.3
135.11678	13.3
137.09590	8.0
141.06989	4.2
142.07773	5.8
143.08549	14.4
145.06453	3.3
145.10141	24.2
147.08058	11.8
147.11694	19.0
149.09604	15.1
149.13232	2.6
151.11183	17.7
153.09074	4.1
155.08560	8.9
157.10107	24.9
159.08064	4.6
159.11656	15.3
161.09544	12.3
161.13213	5.6
163.11171	8.4
165.12749	5.4
167.08524	3.1
167.55453	2.3
169.10097	8.0
169.12286	3.2
171.08076	2.4
171.11644	7.7
173.09570	6.7
173.11790	2.6
173.13266	8.1
175.11148	16.5
177.09070	4.1
177.12764	3.2
179.10611	3.1
181.10092	6.0
181.12167	3.3
183.11690	6.7
185.13255	7.5
187.11205	4.2
187.14754	2.2
189.11183	6.3
189.12727	5.5
191.10837	2.0
191.14394	3.8
193.12213	35.3
195.11687	4.9
197.13239	6.2
199.11153	3.0
199.14865	2.9
203.14209	3.1
207.13722	2.5
209.11589	2.8
211.13234	32.0
211.14969	3.8
213.16406	3.5
217.15886	3.7
227.12665	7.6
227.17879	2.2
229.14207	2.8
233.15311	2.7
236.46809	2.2
245.18997	7.7
251.12735	6.8
253.14355	16.2
255.17531	3.9
261.18362	2.8
263.20081	4.9
267.15875	11.6
273.18524	36.3
273.21341	4.1
275.20023	6.7
283.15521	3.8
285.16904	6.0
285.22137	2.5
287.20261	2.7
291.19531	44.4
291.22821	3.2
299.23703	3.0
301.21603	2.7
309.20563	5.8
321.22067	2.3
329.21069	4.1
347.22116	7.9
365.23181	7.6
415.29871	3.3
421.26041	5.4
433.30798	9.2
451.32156	7.8
463.26633	4.9
465.29083	2.7
469.32974	3.3
483.30627	3.8
507.34634	3.3
517.35107	8.7
525.35809	20.1
543.36725	19.4
557.33990	13.9
575.35840	42.3
575.49652	4.9
576.36896	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	575.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.5
55.01867	11.2
55.05511	36.2
57.03428	10.0
57.07074	9.9
61.02901	7.6
61.68185	4.6
65.03925	7.3
67.05504	94.5
67.37044	4.7
69.07069	31.1
71.04987	20.9
71.08617	4.2
79.05492	87.2
81.03419	16.3
81.07057	97.5
83.04961	12.7
83.08624	17.1
85.06538	7.5
87.04460	10.1
91.05479	58.2
93.07037	100.0
95.01192	4.2
95.04961	14.5
95.08593	66.5
97.02880	5.2
97.06527	13.5
97.10155	17.9
99.04370	5.1
105.07034	41.2
107.04971	13.4
107.08582	42.8
109.06529	9.0
109.10143	27.2
111.04432	10.5
111.08097	7.6
117.07023	17.8
119.08581	40.2
121.06490	8.2
121.10149	65.4
123.08052	8.9
123.11689	4.9
125.06070	4.6
125.09647	5.5
128.77530	4.2
129.07005	16.1
131.08571	32.1
133.10146	24.3
135.08063	9.6
135.11694	41.2
143.08586	10.0
145.10126	38.6
147.08015	8.0
147.11638	11.5
149.09624	28.1
149.13327	5.3
155.08533	5.5
157.10139	12.7
159.11720	17.7
161.09770	5.7
161.13263	8.2
163.11189	32.6
171.11699	7.8
173.09634	10.9
173.13264	8.0
175.14851	6.3
181.12259	11.9
183.11514	5.4
187.14777	5.1
191.10657	18.0
193.12239	10.3
197.13287	6.1
199.13239	5.8
209.11703	6.0
214.80293	4.5
223.13287	15.3
227.12753	27.0
241.14294	15.0
249.14967	4.8
259.15411	19.0
261.22156	6.5
305.57172	4.4
400.37463	4.6
451.31766	7.1
469.33136	4.9
507.34082	5.2
525.35663	10.9
543.36957	43.8
557.38330	8.0
575.23236	9.3
575.39758	91.7
575.49994	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	575.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.1
53.11187	2.5
55.01871	23.7
55.05257	4.1
55.05508	46.2
56.77182	2.4
57.03238	2.0
57.03438	22.0
57.07062	2.6
59.05011	4.1
65.03927	6.6
66.51762	2.6
67.05503	91.0
69.03422	7.2
69.07069	29.5
70.54918	10.0
71.04996	15.0
71.05318	2.4
72.33324	2.4
78.97447	2.4
79.05487	80.9
81.03415	39.7
81.07050	100.0
83.01304	7.1
83.04973	21.2
83.08604	26.3
85.02889	8.0
85.06535	11.1
91.05479	73.2
93.06481	3.2
93.07046	62.7
95.04958	39.3
95.08603	49.2
97.02891	8.5
97.06522	21.8
97.10166	18.9
99.04443	2.9
99.08079	8.0
102.22826	2.8
105.07028	62.7
106.02509	2.7
107.04950	23.0
107.08602	46.3
109.06517	28.5
109.10161	26.3
111.04429	7.8
111.08070	7.8
113.06010	9.5
115.05439	5.6
117.06998	28.6
119.04949	3.3
119.08577	43.0
121.06493	10.2
121.10144	29.0
123.08060	17.3
123.11691	10.1
125.09634	15.9
127.07558	3.8
128.06261	6.5
129.07022	21.5
130.07788	4.2
131.04955	3.0
131.08566	36.9
133.06482	9.4
133.10136	25.6
135.08041	18.9
135.11708	17.0
137.09608	8.4
141.06944	7.4
142.07741	3.7
143.08546	21.0
145.06496	8.5
145.10115	41.7
147.08075	6.4
147.11685	24.9
149.02361	3.0
149.09596	18.1
149.13234	4.5
151.11165	7.0
153.08995	3.0
153.12735	5.9
155.08524	10.7
157.06488	3.3
157.10164	19.2
159.08070	7.5
159.11682	17.1
161.09618	9.7
161.13234	6.9
163.11156	27.3
165.12776	3.6
167.08626	2.9
169.10149	7.5
171.11633	8.6
173.09630	8.6
173.13217	4.7
175.11201	11.4
177.12700	3.8
181.10135	3.1
181.12253	5.1
183.11690	6.5
185.09575	5.2
185.13354	5.1
187.11171	8.8
187.14789	4.2
189.11244	7.6
191.10669	6.1
191.14357	2.9
193.04984	3.0
193.12288	16.2
195.11551	3.6
197.13229	6.3
199.11229	4.0
199.14752	5.0
201.12773	5.8
209.11780	3.7
211.13264	13.2
211.14998	3.8
217.15814	5.5
227.12741	18.8
245.18896	3.4
247.20570	3.4
255.17383	5.7
257.19003	8.0
267.15948	12.3
273.15552	3.2
273.18503	23.2
275.20068	40.9
283.15341	23.0
285.16940	4.8
291.19543	24.9
293.21332	5.0
315.19342	3.0
331.22635	3.3
347.21954	5.1
349.23880	12.5
377.28885	3.2
386.09610	5.2
395.29871	4.0
447.28683	7.7
465.30194	9.8
483.30673	9.2
501.32297	3.3
517.31458	4.5
539.34058	12.8
557.34576	34.2
558.34821	4.4
575.35870	52.5
575.49670	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	575.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.9
55.01862	15.3
55.05507	44.8
57.03437	13.4
57.07075	4.5
59.47364	2.7
65.03926	7.9
65.32538	2.8
67.05502	100.0
69.03425	8.0
69.07061	35.8
69.34269	25.4
70.40005	2.7
71.04975	10.0
79.05489	86.3
81.03418	55.9
81.07052	93.2
83.04993	21.4
83.08623	28.2
84.42416	2.8
84.83955	2.7
85.02904	21.2
85.06546	4.9
91.05479	96.0
93.07040	80.8
95.04959	40.8
95.08601	57.0
97.02918	5.3
97.06545	17.2
97.10177	14.4
98.20800	5.5
99.08095	5.7
103.05429	3.4
105.07024	76.0
107.04947	20.7
107.08584	47.9
109.06524	15.0
109.10152	35.6
111.04435	5.1
111.08083	14.2
113.06035	2.9
115.05476	3.1
117.07017	27.8
119.04953	3.1
119.08561	44.6
121.06490	15.7
121.10147	25.7
123.04434	3.8
123.08052	11.5
123.11696	10.4
125.05981	3.1
125.09604	13.2
128.06229	6.1
129.06982	23.7
131.08578	38.9
133.06482	11.0
133.10123	54.2
135.08040	12.7
135.11702	13.5
137.09604	5.2
141.07027	4.6
143.08554	16.6
145.06473	4.9
145.10139	27.2
147.08029	11.3
147.11668	24.9
149.09610	20.4
149.13190	3.9
151.11148	16.6
155.08572	8.6
157.10123	22.2
159.08058	6.1
159.11716	18.9
161.09633	11.5
161.13225	7.0
163.11179	11.2
165.09097	3.4
165.12730	4.5
166.20209	3.0
169.10117	13.2
171.11729	11.9
173.09636	6.5
173.13275	7.3
175.11165	15.5
177.09088	7.1
181.10121	3.2
183.11699	7.8
185.09729	3.8
185.13269	11.5
187.11214	5.5
187.14899	3.5
189.11209	6.7
193.12242	32.2
195.11760	6.8
197.13248	5.4
199.14870	4.9
211.13263	27.8
223.13315	3.5
227.12791	8.1
227.17929	3.7
239.17882	3.9
245.19098	9.7
253.14223	17.0
255.17496	3.0
259.20761	4.1
263.20084	4.4
267.15961	28.7
273.18506	32.9
275.20038	6.6
285.16977	3.9
291.19553	36.9
305.21173	3.6
318.84027	4.3
347.22104	10.8
358.09521	3.4
365.23257	12.3
421.25760	4.4
433.31155	6.9
451.31937	9.0
517.35217	8.8
525.35437	13.5
543.36609	20.0
557.33777	14.5
575.35376	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.5
55.01865	27.3
55.05273	3.4
55.05511	57.8
57.03435	16.1
59.04989	4.7
65.03928	3.6
67.05502	81.3
69.03420	12.8
69.07064	42.4
69.16496	4.3
69.46223	13.3
69.46651	13.0
70.30006	3.1
71.04988	7.7
79.05493	75.9
81.03419	48.1
81.07051	83.3
83.01337	3.6
83.04979	26.1
83.08615	38.2
85.02890	15.8
85.06542	4.6
91.04908	3.7
91.05479	72.6
93.07037	59.4
94.50530	3.4
95.04967	32.6
95.08610	33.6
97.02896	8.0
97.06523	26.5
97.10165	31.0
103.05392	4.1
105.07028	59.0
107.04958	24.3
107.08587	43.1
109.06500	17.8
109.10149	23.4
111.04424	6.4
111.08079	11.1
115.05386	3.7
117.07001	22.8
119.08580	43.8
121.06505	9.8
121.10177	21.8
123.08063	13.7
123.11695	13.5
125.09624	22.8
126.90798	4.0
128.06227	4.5
129.07019	18.5
130.07729	3.5
131.08568	30.2
133.06502	7.8
133.10146	28.7
135.08035	9.8
135.11681	12.3
137.09639	9.7
141.07004	3.5
142.07872	3.5
143.08545	14.4
143.10649	3.9
145.06517	4.7
145.10110	32.4
146.04921	3.4
147.08081	13.7
147.11661	28.8
149.09630	22.5
149.13297	9.1
151.11206	6.6
153.09120	3.4
155.08632	4.0
157.10106	15.6
159.08072	4.0
159.11688	11.9
161.09608	5.9
161.13271	5.2
163.11162	20.3
165.09113	3.8
165.12820	4.5
169.10136	6.6
171.11615	6.6
173.09583	4.9
173.13208	3.4
175.11205	15.8
177.12793	6.2
183.11716	4.4
189.11241	18.4
189.12675	3.9
189.68434	3.3
191.10580	3.5
193.12267	31.5
205.12251	4.8
209.11600	4.1
211.13240	28.7
213.08684	4.0
213.12671	3.8
219.13799	11.9
223.13295	13.2
227.12741	19.0
245.19135	4.0
255.17525	4.5
257.19016	6.9
267.15891	23.3
273.18500	28.8
275.20047	39.7
283.15442	20.2
285.16916	4.4
291.19531	100.0
293.21555	3.8
297.18414	3.7
313.21729	6.9
315.19644	5.2
347.22192	4.2
349.23810	9.8
406.91702	3.1
465.30231	5.5
477.28116	4.9
483.30814	5.4
539.33606	5.0
552.38837	4.1
557.34729	36.6
575.35779	78.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80194	2.3
53.03933	7.4
53.34644	2.3
55.01871	5.0
55.05260	3.5
55.05509	38.1
57.03423	9.9
57.07055	9.9
63.14007	2.5
65.03928	6.7
67.05503	85.9
67.07250	2.1
69.03416	6.6
69.06725	2.6
69.07067	26.9
69.51626	5.3
69.52011	21.4
71.04981	10.6
71.08627	3.6
79.05490	74.8
81.03416	57.9
81.07052	83.5
83.04977	14.9
83.08609	28.9
85.02895	25.4
85.06540	3.7
91.05477	58.2
93.07040	68.8
93.95910	2.3
95.04964	28.7
95.08603	57.8
97.06529	7.3
97.10156	15.5
105.07030	46.1
107.04937	4.8
107.08589	37.1
109.06515	9.2
109.10149	30.8
111.04443	2.7
111.08066	13.3
113.05962	3.0
117.07008	9.4
119.08574	36.0
121.06495	5.5
121.10139	33.2
123.11687	8.2
125.09620	8.6
129.06966	12.0
131.08574	26.0
133.06519	3.2
133.10120	23.8
135.11697	18.1
137.09581	2.9
143.08556	5.4
145.10089	11.6
147.08015	5.4
147.11650	20.9
149.09589	5.9
149.13263	9.0
155.08589	4.0
157.10126	16.1
159.11668	9.3
161.13321	7.0
163.14804	6.0
169.10135	3.6
171.11699	3.5
173.13228	5.9
175.11229	12.5
185.13205	3.1
187.14828	4.9
189.11255	3.4
189.16382	3.1
193.12239	59.0
193.13872	4.6
197.13322	3.9
211.13268	44.2
221.15343	3.3
227.12747	5.7
267.15997	7.0
289.25235	10.9
328.13373	2.9
329.28525	5.0
343.22873	2.9
363.28809	4.6
389.55811	2.8
439.43619	2.7
463.35370	3.4
481.36758	7.1
499.37762	2.8
537.39624	3.0
555.40533	23.2
573.41455	100.0
573.50146	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	573.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.7
53.12651	2.0
55.01860	5.2
55.05503	33.8
57.03428	10.6
57.07064	5.1
60.30999	2.7
60.31316	2.4
63.91126	2.5
65.03938	3.9
67.05134	2.9
67.05502	93.3
69.03417	7.4
69.07062	44.2
70.83219	7.6
71.04986	9.0
79.05486	89.6
81.03417	50.5
81.07055	93.4
83.04984	13.2
83.08617	10.1
85.02889	16.4
85.06525	4.7
91.05476	68.2
93.07037	97.1
95.04970	24.1
95.08604	69.2
97.06549	12.0
97.10146	4.9
99.08045	3.3
105.04493	2.9
105.07035	43.7
107.04942	5.3
107.08592	47.9
109.06515	7.0
109.10151	26.6
111.08103	6.8
115.05467	2.7
117.07000	18.3
119.08571	40.3
121.06512	12.1
121.10137	36.2
123.08071	5.1
123.11723	6.8
129.07025	7.5
131.08559	24.5
133.10146	22.8
135.08049	5.2
135.11676	23.2
137.09593	2.9
143.08519	11.3
145.10080	13.1
147.11632	11.2
149.13277	10.0
157.10101	8.6
159.11658	13.9
161.13269	8.8
165.12730	3.3
173.13271	10.2
175.14832	10.0
185.13271	10.3
187.14780	2.8
217.14397	2.6
221.15341	91.4
239.16409	78.6
255.15897	3.0
261.22165	9.4
283.71115	2.4
295.19116	7.9
301.25275	5.4
335.25797	5.8
463.35831	4.3
481.36914	4.5
555.40973	13.6
573.41528	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.3
55.01877	6.5
55.05511	8.9
56.55647	1.3
57.03429	9.8
58.68130	1.3
62.96332	1.5
65.03947	1.4
67.05505	13.4
69.03431	2.7
69.07066	3.0
71.01379	1.9
71.04980	4.1
71.58505	2.4
74.94538	1.4
78.04701	1.5
79.05486	16.2
81.03416	68.9
81.07057	19.2
83.04959	7.7
83.08215	1.3
83.08608	8.7
85.02898	24.6
85.06597	1.7
89.77349	1.6
91.05476	22.3
93.07054	12.9
95.01317	2.2
95.04972	17.3
95.08609	7.0
97.02897	2.7
97.06521	3.4
97.10143	2.0
103.05477	3.0
104.06254	2.8
105.07025	16.6
105.07667	1.6
107.04955	7.5
107.08608	5.0
109.02904	4.2
109.06536	3.0
109.10157	2.8
111.04437	3.9
111.08082	3.7
113.05985	2.4
115.05458	9.9
117.07019	5.9
119.04963	3.6
119.08594	8.7
121.06507	3.4
121.10162	5.2
123.08076	3.4
123.11684	2.4
125.09676	2.2
129.07031	6.0
131.04913	11.4
131.08578	5.8
132.05714	1.8
133.06503	8.2
133.10135	6.2
134.99615	1.4
135.04434	1.7
135.11732	1.4
136.29686	1.3
137.06017	5.0
141.06975	1.8
142.07817	1.7
145.06482	4.7
145.10153	4.7
147.04440	6.8
147.08058	1.7
147.11700	6.1
149.09636	2.7
157.06506	2.6
157.10135	5.6
159.04459	5.9
159.08081	3.8
160.05185	19.7
161.05963	24.9
161.09595	7.9
163.07486	1.9
163.11221	2.5
165.12761	1.7
173.05972	21.1
173.09627	2.1
175.11200	5.9
181.12286	1.8
187.07483	8.7
189.09117	3.0
193.12242	16.0
203.10719	5.5
211.13292	23.4
234.33678	1.7
243.13866	6.3
271.13287	33.0
273.14963	6.2
285.10159	2.5
285.17224	9.6
289.14319	31.5
313.14426	2.5
318.71866	1.7
327.15799	2.1
345.16913	10.9
387.18100	1.8
487.27289	1.6
555.29651	6.0
573.30573	100.0
573.38593	3.5
574.30695	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	573.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.1
55.01870	12.3
55.05270	1.6
55.05513	26.8
57.03419	3.3
57.07070	2.1
58.42533	1.3
59.05006	1.8
65.03929	1.9
67.05505	31.0
69.03424	10.7
69.07066	24.2
71.01332	1.2
71.04972	3.6
75.04477	1.4
79.05490	35.3
80.49572	1.1
81.03417	12.3
81.07056	24.6
83.01333	4.7
83.04971	10.4
83.08612	12.1
85.02856	1.1
85.06533	1.4
91.05481	27.4
93.07044	34.4
94.42014	1.0
95.04976	13.9
95.08601	18.9
97.02890	11.1
97.06528	7.1
97.10165	9.6
99.04443	1.3
103.05421	1.8
105.04447	1.5
105.07033	17.5
107.04949	11.8
107.08595	17.8
109.06519	7.2
109.10132	10.1
111.04433	3.3
111.08049	2.4
117.07033	11.3
119.08579	14.2
121.06504	5.7
121.10144	9.8
123.08072	7.6
123.11714	1.1
125.09641	7.3
129.07004	4.7
130.07773	1.9
131.08588	10.5
133.06485	2.5
133.10115	5.9
135.08058	4.2
135.11670	7.3
137.09598	3.0
139.07539	2.0
143.08543	4.8
145.06508	2.1
145.10123	12.6
147.08005	5.1
147.11707	3.0
149.09622	2.9
149.13254	2.9
151.07478	1.2
153.09140	2.5
153.12715	3.0
155.08589	1.4
157.10103	2.4
159.11673	2.8
161.09653	2.8
162.10379	1.6
163.11157	15.2
165.09178	2.5
169.10184	1.4
169.12257	1.1
171.11790	1.1
173.09650	3.0
173.13261	1.2
175.11194	3.6
177.12743	1.9
181.12263	2.7
185.13199	1.1
187.11086	1.2
189.11215	4.1
191.10667	1.5
193.12247	1.3
205.12221	1.8
207.13905	1.1
209.11754	2.3
223.13297	16.1
227.12820	4.7
227.17886	1.2
245.18973	1.2
249.14839	2.4
273.18457	14.5
275.19962	2.0
283.15366	4.4
291.19528	100.0
347.22113	2.2
399.53058	1.1
555.33160	2.6
573.34167	55.0
573.48389	1.9
574.33423	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48576	2.5
53.03946	3.6
53.26699	2.6
55.01873	5.7
55.05502	5.4
57.63034	2.5
61.28414	3.2
67.01855	8.5
67.05489	7.7
68.99786	3.9
69.03419	5.4
69.07063	3.6
69.66566	10.0
69.67004	9.1
70.81445	2.9
79.05506	18.9
81.03419	15.7
81.07043	11.5
83.08617	3.7
85.02913	14.8
91.05483	18.3
93.07050	31.2
95.04967	14.2
95.08613	5.8
97.02877	6.6
98.20792	4.0
105.07027	10.7
107.04967	5.7
107.08581	4.8
109.02888	5.2
109.06539	3.2
111.04410	4.2
111.08066	5.8
115.05434	3.6
119.04911	6.2
119.08562	4.5
121.06499	9.5
123.04453	4.6
125.02444	3.4
127.03924	6.8
131.08585	5.5
133.06436	2.9
135.04332	3.4
139.07516	16.5
141.26303	2.4
145.06476	3.5
145.10101	3.9
147.04414	38.3
153.01830	86.2
154.02147	6.8
155.02292	4.4
161.05933	3.6
165.01851	7.2
167.07013	3.0
168.18719	2.8
171.02887	73.1
175.07497	3.1
183.02936	5.9
191.03415	7.7
195.02838	27.1
219.02902	6.5
261.03885	7.9
273.07565	100.0
279.04837	4.2
285.07535	6.2
287.05392	4.1
295.24908	2.6
297.07516	8.7
313.14380	3.2
315.08517	6.3
339.08603	5.2
363.08606	5.1
381.09705	9.3
393.13229	3.3
399.10779	4.6
417.11749	5.2
555.29297	3.1
573.31287	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	573.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.4
55.01862	13.8
55.05500	14.2
56.28772	3.9
57.03423	12.1
58.80034	4.0
61.45321	4.3
63.15067	4.5
66.69809	4.4
67.05498	15.7
69.03416	21.3
69.07072	10.8
71.01362	5.3
71.58598	8.3
79.05499	71.7
81.03405	20.5
81.07054	22.9
83.04963	6.7
83.08613	9.3
85.02914	19.3
85.06551	7.1
91.05471	39.6
93.07050	64.8
95.04969	26.3
95.08604	13.2
97.02890	22.3
97.06521	11.3
99.04472	5.9
100.11289	6.7
104.81397	4.9
105.07037	18.9
107.04913	5.3
107.08592	12.8
109.02917	6.0
109.06478	10.9
109.10153	7.8
111.08068	6.9
115.03909	8.4
117.07003	9.6
119.08605	15.1
121.06486	26.2
123.04431	5.6
123.08080	11.1
123.11716	6.2
127.03925	7.2
128.06296	6.2
129.06966	5.3
133.10092	5.5
135.08043	8.6
135.11626	5.4
137.02345	11.4
137.05951	19.5
139.07538	82.3
145.10135	11.2
149.09628	6.6
153.01793	23.7
159.08020	5.2
161.05943	6.0
161.09766	6.8
163.11182	6.1
165.43030	6.0
169.10130	7.1
189.09218	7.4
199.07571	5.1
217.08578	8.9
238.45978	4.9
258.40323	6.4
271.13370	5.3
291.53244	5.8
303.04968	100.0
315.04962	12.1
327.05112	8.2
462.46722	5.4
484.86227	5.0
555.30377	5.9
573.29675	28.7
602.32019	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	573.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57254	2.8
53.03944	6.7
55.01871	13.4
55.05505	12.1
55.57992	3.1
57.03424	7.8
57.31806	3.1
66.63318	3.4
67.05503	19.2
69.03425	36.2
69.07062	10.3
71.58092	3.5
71.58464	3.8
73.02901	3.3
79.05493	55.1
81.03432	17.3
81.07047	25.2
83.04971	6.0
83.08614	7.1
85.02875	18.4
85.06574	5.7
91.04951	5.1
91.05466	30.0
93.07043	43.4
95.04967	21.7
95.08595	14.0
97.02894	42.0
97.06505	5.7
103.05501	6.8
105.07040	13.5
107.04961	10.0
107.08566	9.1
109.02888	7.5
109.06522	10.9
109.10149	6.6
111.04449	5.2
111.08060	17.3
112.27879	3.1
115.03920	11.0
115.05439	6.5
117.07011	7.3
119.04939	4.5
119.08572	13.1
121.02872	3.2
121.06490	35.5
121.10142	7.4
123.04429	4.1
123.08076	12.9
127.03938	7.4
128.06218	5.2
129.07043	4.3
131.04976	3.6
131.08548	9.3
133.06506	5.3
133.10161	8.0
135.08049	7.4
137.02351	9.2
137.05957	15.2
139.07544	43.4
143.08533	4.7
145.10132	10.6
147.11618	4.9
149.05988	6.2
153.01820	18.6
155.08618	3.3
159.08104	3.8
159.11630	4.6
161.05992	4.8
161.09625	4.7
163.03969	3.7
163.07579	11.4
163.11139	4.0
167.06995	4.5
171.08096	3.2
173.06110	3.8
177.05551	3.6
187.07683	4.8
187.11208	4.2
189.09090	5.3
193.12349	4.1
201.09317	4.7
217.08528	5.9
249.34312	3.2
271.13257	3.4
287.05518	6.3
303.01556	6.5
303.04974	100.0
315.05008	9.7
331.04297	4.1
399.07297	4.7
417.08362	6.4
573.30865	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	571.108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.7
55.05497	1.4
57.03438	0.6
57.28107	0.6
67.05480	1.8
68.99780	0.8
69.03429	15.8
69.07035	1.1
70.49469	2.1
79.01838	2.3
79.05468	1.7
81.03402	1.6
81.07049	1.8
83.04997	0.8
85.02901	2.8
91.05457	1.1
91.52436	0.5
93.07042	1.6
95.08580	2.1
97.02888	13.1
97.06492	1.1
105.03371	0.8
105.07012	1.6
107.04945	0.7
107.08588	1.3
109.02888	1.1
109.06516	1.0
109.10152	1.9
111.00861	0.6
111.04449	0.7
115.03928	7.7
115.05440	0.7
119.08562	0.9
121.02850	4.1
121.10146	0.7
125.02364	2.5
125.09664	0.7
127.03918	1.9
133.02802	0.6
133.10139	0.6
135.11702	2.1
137.02304	0.9
137.05965	0.6
137.09586	0.6
143.03435	3.2
143.98521	0.6
145.10132	0.7
147.04408	1.6
147.11714	0.6
151.07655	0.5
153.01828	57.2
154.02046	0.8
155.08473	0.6
156.10979	0.5
157.06528	0.6
161.05956	1.0
164.11394	0.6
165.01865	2.2
167.07042	1.2
171.02925	1.2
175.07523	0.5
175.14790	1.0
177.05606	0.6
183.02927	1.5
185.05951	0.7
191.03320	0.6
193.15855	1.5
195.02866	1.4
197.00815	0.7
210.54382	0.5
211.17012	2.8
212.17213	0.8
213.05493	1.6
221.04390	1.0
231.06516	1.0
241.04953	0.7
249.03906	0.7
261.04108	0.5
263.82358	0.5
285.06058	4.0
287.05499	100.0
288.05881	0.9
299.05576	2.0
315.07407	0.7
365.06595	1.2
383.07706	1.7
390.60355	0.5
449.35071	0.5
516.21112	0.5
571.30219	2.5
571.38617	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	571.1081
Annotation	Kaempferol 3-(2''-galloyl-alpha-L-arabinopyranoside)
Peak:m/z	Relative Intensity
53.29390	1.3
61.48642	1.2
69.03422	8.3
71.02359	3.0
79.01860	2.4
91.69007	1.2
97.02895	20.6
115.03935	5.6
121.02814	1.4
125.02353	2.4
131.04912	2.3
143.03404	6.2
143.04395	1.3
147.04428	3.9
151.03825	1.4
153.01825	100.0
159.04407	3.9
175.03963	1.6
177.05486	1.4
179.03391	4.3
193.04958	3.2
203.03477	1.5
205.04970	17.6
207.02870	18.4
221.04517	6.6
231.02879	4.2
237.03973	2.5
249.03960	10.2
267.04971	28.4
285.05994	5.6
287.05499	16.6
311.05463	2.6
329.06644	3.9
351.18909	1.4
353.06467	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1081
Annotation	Kaempferol 3-(2''-galloyl-alpha-L-arabinopyranoside)
Peak:m/z	Relative Intensity
51.02373	0.4
53.47586	0.3
65.41779	0.3
66.24530	0.3
69.03430	2.3
71.10476	0.9
79.01844	2.6
79.09390	0.3
93.07025	0.4
94.01242	0.3
97.02888	2.2
115.03911	0.9
116.05496	0.3
119.28885	0.3
125.02327	1.9
137.05995	0.4
142.81567	0.3
143.03392	5.4
148.89696	0.3
153.01820	100.0
160.29387	0.4
171.74928	0.3
184.07315	0.9
195.02924	0.4
209.35699	0.4
215.76636	0.3
221.20996	0.3
237.03920	1.0
279.05121	0.4
285.06036	8.9
287.05490	5.5
299.05466	0.5
311.05350	0.7
329.06622	0.4
347.64853	0.3
383.07437	0.4
568.92834	0.4
571.30939	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.80411	0.9
70.69060	3.2
85.02911	1.5
115.05388	0.9
120.57401	1.0
128.06238	1.7
129.07018	5.7
131.04926	1.2
131.08582	7.2
141.06956	3.9
153.01814	1.3
157.06503	5.3
158.07222	2.3
159.08070	7.0
169.06439	2.9
174.06790	13.2
175.07501	3.5
186.06725	2.3
187.07443	1.3
188.08191	1.3
189.09119	23.6
191.10747	2.2
201.09114	10.0
219.10159	100.0
220.10594	1.7
420.72162	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	1.6
69.44614	11.5
73.79539	1.3
81.02912	1.3
85.02914	2.2
89.24234	1.3
90.32950	1.5
91.05499	1.5
96.38631	1.3
98.21494	3.0
107.04972	1.6
124.88853	1.4
129.07005	4.5
131.08556	5.5
137.05962	4.8
141.06964	3.8
144.96779	1.4
157.06477	4.5
158.07164	1.8
159.08051	5.7
163.07585	1.9
167.07086	2.9
169.06482	2.3
174.06769	9.3
175.07507	2.8
179.06984	1.1
181.08578	1.5
186.06697	3.8
187.07500	1.3
189.09109	24.6
191.10629	2.6
201.09102	10.0
219.10161	100.0
232.74686	1.3
249.11298	6.2
260.15427	1.5
348.10098	1.6
489.79987	1.3
492.17499	1.5
507.53641	1.4
537.05743	1.4
542.77124	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90111	1.3
59.48926	1.3
62.58963	1.1
65.40453	1.1
69.03396	1.3
69.39684	12.7
79.05503	2.0
80.46153	1.5
85.02882	2.9
91.05477	3.0
95.04957	1.3
103.05467	1.9
105.07037	9.9
110.20596	1.4
115.05495	2.2
115.62703	1.4
116.76129	1.3
117.07018	2.7
119.04865	1.5
121.06489	2.8
131.04962	1.7
133.06506	8.9
134.93875	1.3
135.08150	1.4
137.05998	3.6
151.07498	8.7
153.01817	3.9
157.06390	2.0
161.05989	9.7
162.06833	2.3
167.07043	16.2
175.07552	2.4
177.09105	100.0
181.08582	9.9
189.09119	5.2
193.08591	46.5
195.08080	1.6
195.10175	4.2
205.05122	1.4
207.10173	1.4
221.11716	15.7
225.48819	1.5
285.11230	2.9
285.73575	1.6
287.05515	6.0
315.12286	1.6
317.13696	2.4
343.15381	5.1
361.16422	17.1
373.16693	2.6
426.98886	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15646	0.7
50.65390	0.9
53.03942	1.4
55.01867	0.9
56.51953	0.8
57.03429	1.0
61.02934	1.1
69.03416	2.2
69.44609	8.1
70.06590	1.1
79.05486	2.3
81.03405	1.4
85.02901	6.1
85.06493	0.7
91.05463	5.0
93.07050	4.0
95.04942	2.3
97.02897	2.4
98.20652	1.0
103.05462	3.2
104.64429	0.8
105.07034	4.4
107.04949	8.0
109.02863	1.1
109.06537	1.3
117.07016	1.6
119.04884	2.0
121.06501	7.9
123.04430	2.6
124.05213	1.4
127.03928	2.1
128.06256	1.4
129.06996	5.8
131.04930	3.4
131.08571	3.7
133.06500	1.3
135.04453	1.0
135.08044	2.3
137.05974	6.6
145.06471	2.5
147.04341	1.8
148.05217	1.4
149.06009	2.2
151.07503	6.4
152.04619	1.2
153.01836	4.3
153.05443	4.7
157.06477	6.6
159.08020	1.2
161.05963	12.1
161.09657	3.5
162.07568	0.9
163.07544	5.0
165.06931	1.4
165.09120	3.0
166.06271	3.2
167.07034	29.0
173.05930	1.2
174.06741	4.3
175.07567	5.8
177.09100	4.7
179.07045	1.9
180.08737	1.2
181.08588	34.1
182.07321	1.0
187.07626	1.1
189.09093	25.9
191.07013	2.0
191.08575	0.9
193.06596	1.7
193.08514	1.5
195.08066	3.7
195.09897	1.0
197.09604	3.2
201.09103	1.0
207.08334	1.2
207.10144	4.8
208.08810	1.0
210.06865	1.2
211.07544	1.6
211.10811	1.0
219.10129	9.1
219.40327	1.0
221.06006	2.2
223.07570	2.3
225.09042	4.5
227.06966	1.2
229.12122	1.1
235.07509	1.1
236.08328	1.4
237.09109	1.0
240.07841	1.0
251.07059	1.9
251.10611	1.9
253.08592	4.5
255.06406	1.4
255.10251	2.4
257.11697	5.4
267.10278	1.1
270.08813	1.4
279.10172	1.7
283.09671	4.6
283.13309	2.8
285.11163	9.4
297.11237	1.3
299.12698	1.3
305.13876	1.4
311.12842	3.6
315.12280	6.6
317.13821	13.4
329.13834	2.2
331.15527	3.3
343.15359	24.1
361.16425	100.0
362.16632	1.1
373.16302	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3834
Annotation	Integracin C
Peak:m/z	Relative Intensity
53.03939	5.0
55.01873	5.2
55.05509	22.1
57.03431	5.3
57.07076	2.4
65.03938	6.4
67.05506	60.7
69.03409	4.2
69.07061	15.7
69.50481	5.3
69.50896	15.3
71.04989	5.0
75.67604	2.2
77.03909	3.8
79.05489	56.1
81.03418	22.4
81.07055	50.6
83.04990	7.3
83.08607	13.1
86.37697	2.0
90.46957	2.3
91.05481	43.7
93.07042	49.8
93.87970	2.5
95.04965	51.3
95.08603	31.5
97.06531	3.7
97.10165	9.1
100.88276	2.4
105.03396	2.6
105.07030	30.6
107.04964	9.7
107.08601	26.3
109.02875	4.4
109.06535	6.5
109.10151	17.8
111.08080	5.4
113.06688	2.1
115.05459	3.8
115.34673	2.2
117.06987	13.5
119.08561	24.0
121.06513	8.9
121.10159	19.2
123.04433	39.4
123.08036	2.6
123.11691	4.8
125.09647	8.3
129.06995	12.3
131.04944	3.2
131.08597	15.9
133.06448	2.6
133.10133	11.4
135.08081	5.7
135.11674	14.2
137.05933	2.6
137.09697	2.2
139.04044	2.3
139.54849	2.1
140.90744	2.3
141.06987	3.0
143.08560	9.0
145.06508	4.6
145.10147	17.9
147.08084	5.2
147.11685	7.4
149.09698	2.5
149.13272	4.6
153.09122	3.7
155.08549	8.0
157.10150	5.2
159.08046	3.7
159.11711	7.0
161.13293	3.0
163.11151	16.0
167.08694	2.6
169.10172	4.0
171.08026	2.4
171.11729	6.8
173.09676	8.0
173.13301	4.6
181.10004	2.3
185.13254	5.2
187.14897	4.2
189.11259	4.3
189.12851	7.3
191.10693	4.7
195.11667	4.3
197.13399	2.7
199.11238	2.7
199.14908	3.9
207.13852	9.9
209.13272	2.9
217.12262	6.0
225.16539	2.4
227.12744	2.7
235.13266	47.3
261.22125	5.2
291.15863	3.2
293.84546	2.8
325.25354	3.0
375.27518	2.4
477.33820	7.2
495.34454	4.9
551.37567	7.6
569.38397	100.0
570.39520	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	569.129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.8
53.03940	4.4
55.01861	1.2
57.03431	1.1
58.09029	0.5
61.02968	0.5
61.31152	0.6
67.05508	1.2
67.63995	0.6
68.99804	1.0
69.03416	2.1
69.07056	0.6
71.04967	0.6
71.57723	0.6
71.58127	1.1
77.03912	1.0
79.05502	2.9
81.03407	3.1
81.07059	1.1
82.54243	0.6
83.04964	0.7
84.75341	0.6
85.02898	4.0
85.06533	0.8
87.30150	0.6
91.05492	1.6
93.07039	1.0
95.04959	8.3
95.08609	1.3
97.02868	3.9
97.96766	0.6
99.04465	1.1
99.77689	0.6
100.77125	0.6
103.05453	0.7
105.03387	97.8
105.07024	1.9
106.03740	1.4
107.04922	1.1
107.08616	1.1
108.94967	0.6
109.02892	2.4
109.10137	0.7
111.00834	0.7
111.08085	0.7
121.02866	1.2
121.06507	0.7
121.10154	0.9
123.04396	3.0
126.15799	0.6
127.03901	3.7
131.08540	0.6
133.10121	0.8
137.02335	4.9
137.05981	2.6
139.07550	0.8
145.04993	2.1
147.04404	1.4
149.02318	0.8
151.03984	0.8
153.01794	6.4
159.08008	0.8
161.05969	1.1
163.03931	1.2
163.07501	0.9
165.01880	2.1
167.07045	2.5
173.06015	1.0
177.05508	1.3
183.02954	1.1
195.02957	0.7
199.11197	1.0
201.05446	2.0
229.04941	4.3
249.07698	3.1
257.04532	3.2
263.32465	0.6
267.08566	3.9
274.04648	1.2
274.43237	0.7
285.04022	2.0
287.05569	0.7
287.20245	0.8
303.04977	100.0
304.05176	3.5
315.05057	0.7
333.44064	0.6
345.06079	0.7
569.29926	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	569.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.3
53.03736	0.5
53.03951	5.1
55.01871	0.9
55.05500	0.5
57.03431	0.9
67.05492	1.0
68.99798	0.6
69.03080	0.5
69.03429	5.9
69.07082	0.4
71.05004	1.0
71.10130	0.9
77.03929	0.8
79.05495	3.8
79.66327	0.3
81.03417	13.8
81.07088	0.5
85.02901	4.8
87.74554	0.4
91.05483	1.1
93.07047	0.9
95.04970	8.7
97.02895	10.1
99.04471	2.4
105.03391	77.8
105.04541	2.0
105.07048	0.6
106.03730	0.6
107.04874	0.4
107.08570	0.8
109.02879	7.7
111.00806	1.1
121.02882	1.5
121.06579	0.6
121.10133	0.6
123.04430	5.5
126.01062	0.4
127.03915	6.6
128.00758	0.8
137.02335	4.0
137.05956	1.2
143.08627	0.4
145.04988	1.6
149.02187	0.4
153.01816	6.2
159.04514	0.4
161.05977	0.9
163.03883	1.1
165.01831	2.3
166.02592	0.5
167.07060	1.3
173.06000	0.6
177.05507	0.8
181.04901	0.7
183.02916	1.2
183.04375	0.4
193.08633	0.5
201.05499	2.0
215.10669	0.4
229.04967	4.6
230.80638	0.4
242.11789	0.5
247.05934	0.6
249.07596	14.1
257.04398	2.8
267.08582	1.1
274.04684	0.9
285.03964	1.0
287.05347	0.6
303.04993	100.0
304.05487	2.8
345.05807	0.6
367.56427	0.5
507.12759	0.5
569.29279	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24498	0.2
53.03931	0.3
55.01868	0.7
55.99131	0.2
57.03443	0.3
61.02913	0.3
65.03936	3.1
67.05509	0.5
68.99792	0.4
69.03430	0.8
69.07073	0.3
71.01356	0.2
71.04993	0.3
71.57986	0.5
79.05482	1.1
81.03422	0.8
81.07072	0.4
85.02934	1.3
85.06538	0.4
91.05483	0.5
93.07058	0.9
95.04950	2.1
95.08585	0.2
97.02895	0.8
99.04492	0.3
103.05446	0.3
105.03386	0.3
105.07050	0.5
107.04974	0.9
107.08566	0.3
109.02865	1.1
109.06556	0.4
111.00810	0.5
111.04447	3.3
111.08071	0.4
117.07048	0.3
119.08594	0.3
121.02866	100.0
121.10114	0.3
122.03164	1.2
127.03919	1.1
129.06934	0.3
133.02814	0.4
133.10138	0.4
135.08072	0.3
137.02324	0.5
137.05988	0.5
137.09651	0.5
139.03886	1.7
139.07491	0.4
145.04936	0.4
145.06522	0.3
147.04407	0.6
151.07562	0.3
153.01837	4.9
157.06480	0.5
161.06052	0.4
163.07545	0.4
165.01848	1.1
167.07048	1.0
171.97816	0.2
175.07576	0.5
181.08681	0.3
183.02913	0.8
184.07362	0.4
185.05983	0.9
203.06964	0.3
213.05496	1.0
213.11334	0.4
219.10249	0.3
223.05885	0.3
229.04858	0.3
230.57014	0.3
231.06429	0.4
233.88341	0.3
241.04924	0.4
258.05286	1.0
259.06039	0.3
265.07086	0.8
283.08093	4.6
287.05496	63.9
288.05780	1.9
315.07700	0.3
325.07227	0.2
329.06564	0.8
395.07602	0.3
569.21124	1.5
583.96118	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.129
Annotation	Perfoliatumin A
Peak:m/z	Relative Intensity
53.03944	0.5
55.01860	0.5
55.05495	0.3
57.03416	0.3
64.29623	0.3
65.03942	2.6
67.05495	0.6
68.99804	0.6
69.03420	1.4
69.07072	0.7
69.86549	0.7
69.86961	0.9
79.05497	1.2
81.03410	1.7
81.07035	1.3
82.38880	0.3
83.04177	0.2
83.04976	0.5
85.02897	1.2
85.06527	0.3
91.05472	1.0
93.03401	0.9
93.07032	1.5
93.67786	0.3
95.04977	0.7
95.08604	1.1
97.02888	1.2
97.06537	0.7
99.04438	0.5
103.05516	0.3
105.07012	0.9
107.04964	0.5
107.08586	0.7
109.02866	1.1
109.06507	0.6
109.10162	0.7
111.00820	0.6
111.04445	1.0
119.04943	0.3
119.08556	0.4
121.02866	58.6
121.06502	1.0
121.10154	0.6
122.03211	0.8
125.06017	0.4
127.03922	0.8
131.08569	0.3
133.02827	0.6
133.06444	0.3
133.10123	0.3
135.04401	0.3
135.08064	0.3
135.11728	0.3
137.02321	1.1
137.05986	1.2
139.03902	3.4
143.08589	0.3
145.06514	0.5
145.10112	0.7
147.04395	0.8
149.09636	0.3
149.13321	0.5
151.03943	0.4
153.01828	5.9
153.03000	0.5
157.06488	0.8
161.06091	0.3
163.03920	0.3
165.01794	1.6
167.07019	0.8
171.02856	0.3
171.04366	0.5
177.05493	0.6
181.04913	0.3
183.02913	1.1
185.05998	0.5
187.11023	0.3
213.05443	1.6
215.10771	0.4
231.06497	0.7
238.11058	0.3
241.04970	1.2
258.05252	1.4
259.05927	0.5
265.07059	1.3
283.08051	0.4
287.05490	100.0
288.05765	2.2
329.06400	0.6
421.34824	0.3
569.29431	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	569.1287
Annotation	2''-O-p-Hydroxybenzoylorientin
Peak:m/z	Relative Intensity
50.91550	0.2
53.03932	1.4
55.01847	0.5
57.03421	0.5
65.03934	2.8
68.99792	0.8
69.03429	2.0
71.01337	0.5
71.04997	0.5
73.02914	0.3
79.05479	0.3
81.03409	7.8
85.02895	1.9
93.03394	0.6
95.04956	5.0
95.08588	0.3
97.02890	5.2
97.94050	0.3
98.21500	0.7
99.04461	1.0
104.12637	0.3
107.04933	0.3
107.08597	0.3
109.02869	3.6
111.00822	0.4
111.04434	2.6
121.02857	100.0
122.03190	1.1
127.03904	2.5
133.02869	0.4
137.02330	0.8
137.05980	0.3
139.03886	12.4
145.04938	0.9
145.06453	0.3
145.95053	0.3
147.04327	0.3
153.01831	3.2
161.05951	0.4
165.01828	0.7
167.07062	0.4
181.04942	0.3
183.02927	0.6
185.05974	0.4
209.09492	0.3
213.05417	1.1
217.85338	0.3
241.04999	0.4
242.11963	0.3
258.05219	0.6
259.05997	0.3
265.07034	11.2
283.08072	1.9
287.05478	47.4
288.05762	1.1
329.06213	0.3
484.31760	0.3
569.21826	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.05510	8.0
56.64974	1.9
57.07088	7.4
57.07327	1.9
57.85534	1.5
59.04982	2.1
65.03938	3.4
67.05238	1.4
67.05511	16.6
69.03407	3.6
69.07059	12.1
71.54147	2.7
75.99557	1.6
78.58860	1.8
79.05496	18.5
80.06244	3.1
81.07050	28.3
83.04952	3.0
83.08605	4.8
83.80108	1.5
85.06525	4.7
91.05476	39.3
92.06253	1.9
93.06473	3.2
93.07040	47.7
95.04967	35.6
95.08603	29.7
97.06509	2.0
97.70601	1.4
103.05441	3.2
104.06197	1.9
105.07024	75.0
106.07827	4.9
107.08588	37.9
108.09348	2.4
109.06532	6.2
109.10159	16.2
111.08026	2.1
115.05441	5.5
116.06252	2.0
117.07023	19.7
119.03043	1.7
119.08581	100.0
120.09409	7.4
121.06416	1.7
121.10141	35.4
122.10905	1.4
123.08067	14.8
123.11704	5.8
128.06212	11.8
129.07018	15.2
130.07817	9.5
131.08574	44.3
132.09373	10.2
133.10130	48.8
134.10860	6.0
135.08070	5.4
135.11693	21.2
137.09593	5.5
138.10413	9.5
139.11203	2.8
141.06966	5.2
142.07791	14.5
143.08554	45.3
144.09348	13.2
145.10118	81.1
146.10883	5.0
147.08054	2.4
147.11690	24.4
149.09651	6.4
149.13225	4.5
151.11197	3.1
153.07002	2.6
154.07814	2.3
155.08575	13.2
156.09337	18.1
157.10123	43.0
158.10936	11.1
159.03001	1.5
159.11693	35.5
160.12454	3.3
161.09589	4.9
161.13268	7.9
163.11130	3.3
165.07002	5.1
165.22461	1.4
166.07742	2.9
167.08502	7.6
168.09303	6.9
169.10118	25.7
170.10913	8.9
171.11690	33.6
172.12459	8.2
173.13248	28.1
175.11226	2.4
175.14810	24.5
177.12755	5.2
179.08540	8.0
180.09285	2.6
181.10124	16.5
182.10905	8.6
183.11671	28.2
184.12422	6.9
184.55571	1.5
185.13254	28.9
186.14018	8.5
187.14842	13.2
189.12782	5.0
191.14320	11.1
192.09341	1.9
192.15123	2.1
193.10126	5.8
193.75389	1.6
194.10869	7.5
195.11697	14.1
196.12390	5.3
197.13264	32.9
197.27702	1.6
198.14029	6.2
199.14763	11.6
200.15474	1.9
201.12674	4.2
201.16382	7.4
203.14355	3.6
205.10089	1.5
207.11679	9.3
208.12456	5.0
209.13261	26.4
210.13940	4.9
211.14804	18.0
212.15456	2.5
213.16385	5.6
215.14339	2.6
217.15823	6.6
219.11610	3.7
219.17334	2.8
220.12466	3.2
221.13248	9.4
222.14014	4.8
223.14870	9.8
224.15552	4.8
225.16391	8.5
226.17065	4.2
227.14386	2.3
227.17860	2.7
229.15848	2.3
231.11568	2.2
231.17339	1.6
233.13142	2.7
234.14015	2.4
235.14786	7.8
236.15587	1.8
237.16400	10.4
238.16986	3.3
239.17961	7.3
241.19502	3.0
245.13297	1.7
247.14827	2.8
249.16425	3.9
251.18044	4.2
252.18596	2.5
253.19580	3.7
255.17570	3.0
259.14737	1.7
259.20508	3.9
261.16339	4.4
262.17120	2.1
263.17975	4.3
265.19434	4.0
266.20331	1.6
267.21097	2.2
271.20450	1.9
275.17923	3.5
276.18716	1.8
277.19458	3.2
283.20505	1.9
285.22052	2.3
289.19302	1.8
297.22006	3.9
305.22495	4.0
308.99829	1.5
320.24857	1.9
321.21957	2.1
323.23752	9.7
337.25241	3.6
338.26044	44.4
351.26785	2.3
362.26114	2.0
415.29572	2.1
420.30219	3.8
430.32239	15.8
458.35358	2.0
476.36462	13.1
568.42834	24.3
568.56818	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	567.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60598	1.8
53.03925	2.7
55.01857	2.4
55.05519	2.5
57.03445	5.1
67.05486	1.9
69.03410	2.5
71.05010	2.0
71.08589	5.7
79.05498	8.5
81.03407	23.0
83.04989	2.2
85.02901	3.5
91.05479	5.4
93.07072	1.8
93.30775	1.7
95.04958	6.6
98.09532	1.9
103.05476	3.4
105.07033	6.0
107.04940	15.9
109.02813	2.0
115.05463	8.6
117.07014	10.4
119.04951	2.1
121.06522	2.9
123.04440	7.8
124.05219	5.9
125.05998	3.6
129.07010	4.5
131.04935	5.3
131.08553	4.2
132.05722	2.2
133.06499	3.8
135.04401	2.1
137.05994	5.5
141.07030	4.1
144.05696	4.6
145.06468	28.5
146.03123	1.7
147.04381	4.8
147.08049	2.2
151.03838	3.5
151.07494	2.1
152.04645	2.4
153.01830	4.2
153.05479	3.6
155.07106	2.4
156.05711	5.8
157.06538	3.3
159.08035	10.8
161.05983	8.6
163.03909	3.5
163.07594	3.5
167.07027	100.0
172.05087	2.2
173.05966	33.2
175.07520	4.8
177.05478	8.0
179.07060	2.3
181.04930	5.0
181.06401	2.3
183.06543	2.8
183.98865	1.9
187.07489	13.5
189.05452	4.1
190.06232	20.1
191.07019	8.6
193.08600	5.1
195.06607	3.0
202.06227	4.2
203.06995	4.7
204.07878	4.5
205.08586	31.7
205.10349	3.0
207.06526	6.1
208.05249	3.0
209.08061	5.9
210.06711	2.2
217.08566	25.3
219.08232	3.8
219.10207	6.1
220.07320	8.0
231.08171	2.9
231.10371	2.2
235.07629	2.9
235.09453	10.1
241.08629	4.2
241.10732	6.6
247.07475	3.6
247.09666	25.9
248.08464	2.3
261.09213	2.8
263.10831	4.1
264.07932	3.3
265.10910	2.7
267.06503	3.0
269.08118	5.2
271.09665	4.0
276.07532	2.9
277.08517	3.1
279.12430	10.4
282.08911	3.9
285.07718	2.7
286.08466	3.0
290.09460	3.3
291.12335	6.9
292.07193	2.1
293.08041	2.8
299.09091	3.8
300.09839	2.5
301.10623	2.8
307.09528	4.8
311.12854	2.5
315.08594	27.8
319.09579	4.5
323.12692	4.5
329.10220	11.1
330.10889	14.1
331.11774	3.7
336.09598	2.5
337.10739	3.3
339.12045	2.8
343.11841	6.1
351.12277	12.4
353.10260	2.6
367.11639	2.8
368.12704	5.3
369.13248	3.6
371.14987	5.9
373.12653	3.0
383.14886	11.9
401.15985	5.5
403.13745	3.9
404.14590	15.3
405.15265	3.4
417.14819	2.6
425.15961	3.1
437.75473	2.0
443.16992	3.1
445.18958	4.9
457.18469	11.4
475.19550	11.6
478.18289	18.4
491.18958	3.6
531.22241	5.1
549.23486	5.1
567.22064	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26800	4.6
53.03931	5.9
55.01866	26.0
55.05315	3.7
55.05509	42.3
56.14299	3.7
57.03429	11.6
57.07068	36.9
65.03932	5.9
67.05501	100.0
69.03410	4.9
69.07063	52.1
71.01347	3.8
71.04992	9.9
71.08626	21.8
71.58127	8.1
74.66079	4.1
79.05478	43.7
81.03416	25.8
81.07054	78.0
83.04981	20.6
83.08611	43.9
85.02880	4.7
85.10163	7.5
91.05476	37.0
93.07030	52.8
95.04951	52.4
95.08601	62.0
97.06491	12.2
97.10154	23.0
97.78412	3.8
98.07283	10.8
105.07021	28.1
107.04914	9.8
107.08576	31.1
109.02876	10.8
109.06518	6.0
109.10143	36.5
111.04407	4.4
111.08059	8.8
111.11713	8.9
117.07013	11.1
119.08587	23.6
121.06509	5.5
121.10130	27.3
123.04412	46.6
123.08044	7.7
123.11691	12.2
125.09621	5.7
129.06978	14.7
131.08533	10.7
133.10118	15.5
135.08032	4.3
135.11685	22.6
136.35751	3.9
145.10120	14.9
147.08052	6.3
147.11681	7.7
149.09642	4.9
149.13217	8.6
149.55547	4.0
153.09047	5.0
157.10103	12.5
159.11642	5.4
163.11182	10.5
163.14830	4.3
167.10689	5.1
171.06528	8.8
171.11702	10.9
173.13248	7.2
189.12714	8.2
191.10637	5.6
193.12224	5.6
207.13744	9.4
217.12158	5.2
221.15169	3.8
227.12737	6.1
235.13248	62.6
247.24352	5.0
255.15915	8.7
267.15826	3.8
309.16916	38.0
313.27371	54.1
393.29929	13.5
421.33374	5.8
424.39349	4.9
469.51682	4.6
529.37958	4.6
547.39862	28.9
565.40924	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76976	2.8
50.88343	2.5
53.03939	3.5
55.01868	4.1
55.05506	13.5
59.04995	3.1
61.02899	2.9
67.05498	30.0
68.24290	2.6
69.03410	11.0
69.07072	23.4
71.01303	2.7
71.01891	5.0
71.04982	7.0
79.05488	10.2
81.03407	5.3
81.07053	28.3
83.04974	53.2
83.08621	5.2
85.02888	15.5
85.06571	3.3
86.31827	2.6
91.05466	7.4
93.07039	14.4
95.04966	11.5
95.08592	28.5
97.02888	3.8
97.06541	4.8
98.07997	2.6
99.04464	7.2
105.07008	9.4
107.04932	2.8
107.08575	24.3
109.02888	4.6
109.06514	6.7
109.10144	57.3
111.08078	5.1
119.08571	22.8
121.10138	11.0
123.08050	3.5
123.11681	10.3
127.03918	9.9
133.10112	32.9
135.08020	3.4
135.11678	21.6
137.09605	100.0
137.13197	2.7
140.69278	2.7
141.53423	2.3
145.10136	2.9
151.11159	2.4
153.37561	2.7
155.10616	7.3
165.12712	3.2
165.16315	6.4
167.07002	9.4
175.14818	39.3
175.54514	3.0
189.05258	4.8
193.15872	87.9
211.16985	7.9
220.10718	2.5
225.10353	2.8
225.16396	2.9
238.11218	2.6
251.08165	3.6
253.09737	7.2
266.10583	6.4
267.11234	4.1
272.66110	2.6
281.09085	4.9
281.51218	3.2
294.09946	8.8
295.10699	8.4
296.11569	4.9
321.08817	4.2
339.09717	12.7
340.10538	4.6
469.12497	7.4
487.13162	8.2
515.12836	27.0
519.36188	3.0
547.15356	3.3
565.18781	28.0
566.19470	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	565.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81918	2.8
53.03937	6.1
55.01867	5.3
55.05505	28.0
56.32772	2.5
57.03430	10.5
57.07071	2.9
65.03944	4.1
67.05502	100.0
67.18713	2.3
67.82941	3.0
69.03428	17.0
69.07067	9.4
70.06391	2.6
70.48714	10.2
71.01359	2.9
71.05000	5.5
79.05492	29.6
81.03417	56.3
81.07054	33.3
83.04995	13.3
83.08635	13.8
85.02901	12.8
91.05478	37.2
93.07055	23.9
95.04967	38.3
95.08595	17.0
97.02885	15.2
97.10169	13.9
99.04453	5.3
103.03954	4.0
103.05447	5.1
104.16339	2.9
105.07030	27.6
107.04960	15.7
107.08578	15.5
109.02875	29.5
109.06501	6.6
109.10150	53.4
111.04444	11.9
111.08047	5.9
117.07015	11.0
119.04910	4.6
119.08541	17.7
121.06500	10.0
121.10163	8.9
123.04408	7.9
123.08092	3.8
125.02367	6.7
125.09624	11.3
127.03910	6.3
128.06236	4.4
129.06960	13.9
131.04895	7.4
131.08545	14.0
133.06519	4.0
133.10147	14.1
134.90303	2.8
135.11690	7.7
137.06001	3.6
137.09641	5.8
143.08598	5.4
145.06436	6.8
145.10135	7.5
147.04414	6.3
147.08046	5.1
147.11667	10.6
149.05917	4.1
149.09598	5.4
155.08591	4.0
157.06476	4.3
157.10136	8.0
159.08054	3.9
159.11629	4.6
161.06049	6.3
161.09630	5.8
161.32335	2.6
163.11156	9.6
165.12799	3.3
169.10117	3.3
171.00705	3.0
171.11673	5.1
173.05983	5.2
173.11850	15.5
173.13245	5.3
175.07544	2.8
175.11197	4.6
178.59792	2.9
182.10593	2.9
189.05492	4.0
189.11198	9.1
189.12761	5.8
193.12282	12.3
194.97743	2.4
199.04361	2.7
211.13354	7.0
213.12785	3.0
217.62073	2.7
227.12836	5.0
229.14354	14.8
232.39044	2.8
235.13345	3.4
255.13788	5.9
267.21918	2.7
271.13141	3.2
273.14871	25.7
281.13882	3.4
285.14899	6.7
291.15897	3.9
301.14343	26.0
303.15668	4.3
319.15402	12.0
337.16638	4.1
375.18085	9.0
393.18988	6.0
439.27045	4.0
529.27972	18.1
547.29108	16.1
565.29962	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01857	0.9
55.05513	9.2
56.96533	0.8
58.99242	0.8
61.02922	1.5
62.08649	0.8
68.12871	0.7
68.54942	0.9
69.03429	4.4
69.07056	1.1
69.34843	9.1
71.04984	1.9
73.48614	1.0
76.13027	0.8
81.03423	5.7
81.07059	1.8
83.04982	9.3
85.02912	8.0
89.06019	2.6
93.07047	1.5
95.04970	1.7
97.01911	0.9
97.02904	6.3
97.06507	1.1
97.13440	0.8
98.93377	0.9
99.04478	1.4
102.50739	0.8
109.02875	5.6
121.02853	1.2
125.05995	1.2
127.03943	6.1
131.08521	1.0
133.06497	1.1
134.06035	2.4
137.02342	3.8
137.05998	1.8
143.07019	1.1
145.04935	2.5
145.06514	0.9
152.07060	3.0
153.01836	6.6
163.07510	1.2
165.01857	2.2
167.07054	2.1
185.08064	1.1
187.06152	1.1
187.55867	0.9
201.05441	1.5
205.07135	1.2
205.12363	0.9
206.64191	0.8
215.10687	1.3
227.09117	2.5
229.04968	3.7
245.10289	2.0
257.04446	2.8
287.05518	17.2
303.04987	100.0
315.05048	1.1
333.77243	1.1
345.05997	2.6
396.20099	2.1
534.72101	1.0
565.20782	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.8
55.01864	9.9
55.05511	40.8
57.03424	11.5
59.04995	4.7
65.03941	4.5
67.05502	95.8
69.03442	4.1
69.07066	30.1
69.32285	43.3
71.04968	10.5
72.53378	3.7
78.20740	4.1
79.05490	57.8
81.03407	22.1
81.06584	6.6
81.07050	100.0
82.07389	4.2
83.04951	18.0
83.08606	24.7
85.02888	7.3
85.06539	6.9
91.05476	52.1
93.07044	78.0
94.07358	5.0
94.34171	3.5
95.04978	23.6
95.08602	73.3
97.06531	11.8
97.10199	19.6
97.10699	3.6
98.20799	7.0
99.08086	5.1
102.04716	3.3
102.52588	3.7
105.07034	57.8
107.08585	48.4
109.06515	11.1
109.10154	39.1
111.04401	5.8
111.08077	14.0
117.07015	16.3
119.08568	47.0
121.06503	6.0
121.10146	26.8
123.08078	5.5
123.11679	8.1
125.09606	18.0
129.07002	12.5
131.08574	34.9
133.10123	37.9
135.11676	19.5
143.08591	9.3
145.10100	24.8
147.11668	24.0
149.09624	7.8
149.13254	13.5
153.12683	4.2
155.08533	6.3
157.10133	16.5
159.11732	20.2
161.13226	12.0
163.11159	7.4
169.10133	7.8
171.11697	8.8
173.11859	5.6
173.13246	12.6
175.11240	6.3
175.14757	5.5
178.13071	3.8
181.12277	7.4
183.11653	7.0
185.13152	6.8
187.14819	8.6
188.71268	5.8
189.11206	9.6
193.12230	15.9
195.11775	6.7
197.13344	6.7
199.14833	4.4
207.48473	4.2
211.13202	28.3
225.16229	4.2
227.12750	9.4
228.88800	4.3
245.10101	3.8
261.22116	15.5
267.15854	5.3
285.16855	11.2
285.22174	3.8
301.25250	6.8
303.23093	8.3
317.24637	6.8
335.25708	13.3
359.25653	6.1
410.76535	4.0
416.27737	4.4
435.32458	8.4
453.33414	13.4
463.78632	4.3
471.34399	11.4
471.88651	4.2
527.37463	26.8
545.31525	5.1
545.38379	50.5
563.39313	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.5
55.01863	8.9
55.05507	46.4
57.03418	8.8
65.03941	5.6
67.05500	100.0
69.03424	4.5
69.07065	26.1
71.04973	5.2
74.45945	2.8
74.93249	2.8
78.24509	2.8
79.05054	5.2
79.05491	51.6
80.05655	2.8
81.03420	22.2
81.07050	87.2
83.04968	17.3
83.08607	20.7
85.02914	5.7
85.06545	6.1
90.97314	3.3
91.05477	55.1
93.07040	61.4
95.04962	20.6
95.08602	67.6
97.06523	10.2
97.10172	17.0
100.01154	3.6
105.07020	45.5
107.08577	43.0
109.06505	8.4
109.10161	34.1
111.04434	8.8
111.08039	11.3
117.07025	18.0
119.08569	39.4
121.10138	27.0
123.08076	8.0
123.11676	15.9
125.09640	12.9
129.07013	14.0
131.08557	29.7
133.10112	29.8
135.11685	24.3
137.09616	4.4
142.07777	3.8
143.08551	11.6
145.10124	33.1
147.11682	21.4
149.09607	6.7
149.13252	10.1
153.12772	3.8
155.08569	5.7
157.10129	14.1
159.11693	19.8
161.13232	8.2
163.11147	6.4
163.14844	4.9
167.08513	4.0
169.10056	5.7
171.11674	7.8
173.11858	4.1
173.13234	14.0
175.11162	9.2
175.14861	8.5
181.10219	3.2
181.12219	8.4
183.11702	6.7
185.13152	7.0
187.14883	7.0
189.11192	10.5
189.47571	3.3
193.12251	25.0
193.27382	3.3
211.13257	41.4
211.15034	4.7
227.12920	12.2
229.14284	5.2
243.15955	3.7
261.22186	11.3
279.23209	4.2
285.17004	14.3
285.22098	8.1
299.23672	7.2
301.25226	3.9
303.23218	12.4
317.24725	7.2
335.25696	11.7
377.26831	4.8
417.31366	4.8
435.32510	13.4
453.33679	12.7
471.34451	13.9
487.34039	5.3
527.37347	29.8
545.38251	63.2
563.39569	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17273	2.7
53.03944	7.5
55.01860	9.2
55.05267	3.7
55.05511	46.1
57.03426	11.2
57.07068	4.2
64.92685	2.8
65.03936	3.7
65.75906	2.6
67.05505	98.1
69.03411	4.2
69.07063	26.3
69.21619	2.9
70.26067	10.3
71.04973	6.5
79.05060	4.9
79.05490	57.3
81.03423	19.8
81.07057	100.0
83.05013	14.6
83.08617	25.0
85.02898	8.2
85.06525	4.7
91.05482	56.8
93.07041	68.7
95.04989	18.9
95.08601	67.0
97.06513	12.9
97.10176	18.9
99.08096	5.3
105.07021	49.2
107.04961	5.9
107.08591	48.0
109.06567	3.5
109.10168	37.7
111.04421	7.7
111.08086	10.9
117.07011	20.6
119.08582	44.2
121.10147	32.7
123.08014	4.4
123.11667	15.4
125.09612	13.3
129.06981	11.8
131.08559	35.0
133.10146	30.0
135.08096	4.6
135.11710	22.9
137.09637	4.0
137.13235	3.6
139.11162	3.5
142.07693	3.1
143.08560	13.1
145.10120	30.7
147.11708	17.6
147.75441	3.1
149.09622	7.1
149.13252	11.9
151.11194	4.0
153.12726	7.4
155.08559	8.2
157.10098	16.5
159.11656	22.6
161.13255	11.3
163.11220	7.8
169.10025	5.1
171.11673	9.6
171.13144	3.1
173.11836	5.4
173.13280	10.7
175.11151	7.9
175.14709	5.2
178.15533	3.2
181.10123	5.2
181.12222	5.7
183.11676	6.7
185.13203	8.2
187.14812	7.1
189.11232	12.2
191.10712	5.8
193.12297	19.2
197.13278	7.3
199.14822	3.4
211.13313	25.6
223.14828	5.3
225.16455	3.9
227.12790	9.9
229.14209	7.4
243.21095	3.4
255.15805	3.5
261.22180	14.9
269.17380	3.3
279.23203	4.1
283.15454	3.2
285.16971	7.3
285.22034	7.7
299.23691	3.8
301.25284	3.4
303.23132	9.2
335.25897	17.5
341.24765	3.2
417.31247	4.0
435.32468	12.8
440.75751	3.2
453.33710	18.8
471.34525	8.0
473.32162	5.5
489.35403	4.3
500.76566	3.5
527.37354	27.1
545.38330	78.3
546.38971	5.3
563.39209	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	563.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62381	2.3
53.03933	3.4
55.01868	6.6
55.05270	2.6
55.05515	39.9
57.03424	9.8
57.07059	2.6
60.16346	2.3
65.03929	4.1
67.05505	96.4
69.03418	3.7
69.07073	31.7
71.04973	7.1
79.05060	4.1
79.05493	55.2
81.03428	21.8
81.07059	100.0
83.04989	11.5
83.05400	2.3
83.08615	26.4
85.02904	7.7
85.06535	8.2
91.05483	46.4
93.07040	72.1
95.04971	18.3
95.08605	72.7
97.06541	10.9
97.10169	20.4
99.08085	4.6
105.07037	45.7
107.04960	3.6
107.08599	35.0
109.06499	6.7
109.10151	37.8
111.04435	9.3
111.08079	12.1
115.05474	3.0
117.07039	16.4
119.08576	36.6
121.06505	6.3
121.10150	28.9
123.08086	5.1
123.11712	14.1
123.12470	2.5
125.09629	15.0
129.06990	13.8
131.08565	28.7
133.10139	29.2
135.08063	4.6
135.11696	18.0
137.09604	2.8
137.13283	5.0
141.06975	4.9
142.07768	5.6
143.08575	11.8
145.06422	3.3
145.10124	26.6
147.11714	18.3
149.09601	5.1
149.13306	11.5
153.09149	2.9
153.12816	4.4
155.08519	7.2
157.10143	20.0
158.67441	2.5
159.11676	20.2
161.09636	3.1
161.13275	9.3
163.11179	4.2
163.14848	4.1
167.42787	2.4
169.10112	6.2
171.11691	8.4
173.11763	4.3
173.13190	19.2
175.11218	5.0
175.14919	2.8
177.12741	4.0
181.12149	3.1
183.11716	7.3
185.13226	6.5
187.14862	9.1
189.11229	8.4
191.10677	3.6
193.12198	20.8
197.13176	3.7
199.14804	3.1
201.16475	3.3
209.15224	2.7
211.13242	22.7
211.14931	3.1
227.12683	12.4
229.14348	7.1
229.68805	2.9
243.21056	4.7
261.22186	14.5
279.23227	4.2
285.16983	9.9
285.22031	5.7
299.23462	3.6
301.21710	2.4
301.24963	2.8
303.23233	10.8
317.24744	4.8
327.23221	3.9
335.25729	15.1
359.25870	5.4
406.90625	2.8
417.30734	2.8
435.32584	13.4
441.48862	2.8
451.30688	2.6
453.33652	14.9
471.34775	13.4
487.34146	3.2
489.35785	3.3
509.36108	4.5
527.37341	32.8
545.30548	3.9
545.38403	71.1
563.39111	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2093
Annotation	His Tyr Glu Asp
Peak:m/z	Relative Intensity
66.52165	0.5
67.82311	0.6
69.49743	5.3
78.55044	0.5
81.03165	0.6
83.01109	0.9
83.50082	0.5
95.01104	1.8
96.01878	0.9
107.04974	0.8
113.02128	2.5
133.88368	0.5
137.05930	0.8
153.01926	1.0
157.71516	0.6
163.07573	0.8
167.03242	0.8
167.07051	0.9
185.04202	3.8
201.03705	1.4
202.05997	1.2
203.05261	4.3
203.06944	0.7
204.07585	5.4
237.99957	0.6
263.25888	0.6
353.13663	2.3
383.10672	0.9
383.15070	1.1
401.11987	1.4
540.14227	0.7
563.20959	100.0
564.21375	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	562.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.6
55.01874	9.3
55.05512	29.3
57.03432	19.1
66.43114	4.2
67.05501	34.9
68.31452	4.1
69.03421	8.4
69.07056	18.2
70.18298	7.1
70.18658	20.6
71.05009	5.1
79.05493	39.8
81.02981	8.6
81.03416	88.2
81.07057	38.0
83.04963	13.9
83.08616	32.7
85.02877	14.6
91.05480	34.1
93.07050	33.4
95.04973	36.1
95.08603	14.5
97.02869	5.8
97.06505	6.5
97.10161	13.9
99.16553	4.5
105.07027	25.0
107.04972	10.4
107.08572	15.3
109.06532	10.7
109.10104	7.9
111.08082	9.4
117.06992	8.5
119.08575	24.2
120.57748	4.8
121.06577	5.1
121.10155	16.2
123.08074	4.8
125.09605	8.8
129.07002	15.4
131.08571	15.9
133.10115	15.2
135.08095	6.4
145.10078	11.0
147.08084	9.9
147.11682	14.4
149.09615	9.3
157.10092	13.9
165.25455	4.3
175.11151	14.6
193.12247	44.8
211.13235	24.1
220.57668	4.5
223.13260	5.3
229.14256	4.8
267.15936	100.0
273.18268	4.4
285.17023	26.1
291.19458	32.6
365.23181	40.0
367.22522	12.4
385.23566	10.0
459.27463	46.0
477.28232	32.8
481.51077	5.2
552.06714	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	562.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	12.6
57.03421	4.4
57.07066	8.5
57.62081	4.4
60.04477	4.1
61.02912	4.3
67.05491	19.2
69.03422	11.2
69.07055	16.4
70.50652	9.8
70.51046	11.6
74.49525	4.3
78.68114	5.0
79.05508	11.3
81.07041	23.9
83.04979	5.2
83.08607	14.3
85.02892	25.3
91.05474	17.7
93.07030	21.8
95.04996	6.5
95.08601	17.5
95.85493	5.3
97.02892	16.5
97.06539	8.9
98.20854	5.4
105.07043	35.9
107.04970	5.9
107.08574	18.6
109.06498	8.3
109.10097	9.7
111.08054	6.7
115.85491	4.3
117.07001	17.8
119.08545	19.2
121.06474	9.3
121.10128	16.4
123.07969	4.9
123.11681	8.7
127.03920	9.3
127.72751	4.8
129.07007	16.6
131.08551	29.4
133.06520	6.4
133.10088	18.4
137.09589	7.9
142.07683	5.6
143.08548	46.4
143.10757	4.9
145.10103	20.9
147.11691	14.7
149.05940	5.7
153.01802	10.6
157.10152	34.0
159.11667	19.7
161.09578	4.6
161.13245	4.9
163.07526	7.8
163.11232	4.9
167.07060	7.4
169.10095	7.7
171.11720	33.1
173.13243	14.0
175.11172	8.8
180.08667	6.1
181.10080	6.0
183.11722	9.4
185.13266	59.1
187.07498	5.0
187.14709	9.1
189.12767	14.2
191.10677	5.2
195.11740	5.5
199.11107	5.4
199.14813	49.5
203.10670	7.0
203.14296	20.5
212.75693	4.4
213.16281	6.2
217.12195	13.6
227.14357	11.3
227.17894	60.2
231.13745	20.9
235.13435	6.5
241.19495	24.5
245.15298	12.8
245.19002	79.6
249.14809	7.3
251.17896	15.5
255.17566	6.1
259.17841	8.0
259.20575	73.0
269.18976	31.3
270.29178	5.0
273.18451	9.3
287.20065	85.3
301.21671	46.2
305.21112	100.0
315.19617	14.9
319.22662	71.8
329.21140	11.7
333.20657	27.0
337.23721	96.5
347.22168	46.7
365.23181	65.8
383.24319	10.1
464.25186	5.7
500.07642	5.3
562.33313	6.9
563.19269	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	562.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.3
57.07069	3.1
67.05492	9.3
69.03440	4.6
69.07079	6.6
70.82928	1.9
71.08638	2.5
76.53799	2.3
79.05502	7.3
81.03410	5.7
81.07054	8.0
83.08617	10.3
85.02913	8.2
91.05475	6.1
93.07069	11.0
94.44454	2.1
95.05005	2.3
95.08599	7.3
97.02901	4.6
97.06535	1.9
97.10203	2.8
105.07007	13.9
107.08598	9.4
109.02895	2.3
109.06512	2.3
109.10173	9.2
117.07043	11.0
119.08604	10.6
119.30968	2.0
121.06537	4.5
121.10152	7.8
123.08032	2.6
123.11702	2.8
127.03937	2.5
129.07033	8.3
131.04866	2.3
131.08592	13.2
133.10110	13.1
135.11705	5.5
143.08589	14.5
145.10106	13.6
147.11707	10.4
151.07446	2.6
153.01791	5.7
157.10139	27.5
159.11710	9.5
161.09587	2.8
161.13274	7.5
167.08594	2.9
169.10146	4.3
171.02872	3.5
171.11681	16.2
173.13298	6.7
175.11197	6.6
175.14850	4.7
177.05519	2.3
183.11729	4.2
185.13251	27.5
187.14880	5.5
189.09254	2.6
189.12759	9.4
189.16399	2.7
199.11221	3.1
199.14812	21.6
201.16315	5.7
203.10785	3.4
203.14360	9.1
205.12326	2.8
209.13255	2.7
213.16316	3.5
214.18051	7.2
217.12283	11.9
223.04803	2.0
225.16406	3.1
227.14510	3.7
227.17923	44.5
229.69447	2.3
231.13771	16.7
231.21100	3.4
241.19569	14.9
243.17325	2.0
245.15381	7.4
245.18967	50.6
249.14967	2.6
251.17836	3.0
257.08090	6.9
259.17474	4.0
259.20575	68.1
269.19070	20.7
279.68539	2.3
287.20032	65.5
290.59082	2.2
301.21600	25.5
305.21100	75.9
319.22672	100.0
320.22989	2.3
329.21234	7.2
333.20587	49.0
347.22168	78.9
365.23276	35.4
421.25800	6.1
562.33667	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	7.0
53.24572	1.7
55.01859	6.4
55.05508	35.6
57.03421	7.3
57.07055	6.1
65.03906	4.2
67.05502	90.8
69.03403	4.7
69.07063	23.7
69.72395	9.3
69.72816	3.9
71.04653	2.6
71.04993	34.3
74.25139	1.7
75.65209	2.1
79.05492	60.1
81.03410	10.9
81.07055	100.0
83.04982	13.4
83.08618	17.3
85.06513	7.9
91.05476	52.7
93.07040	65.7
95.04977	17.3
95.08604	51.4
96.29576	2.0
97.02801	1.7
97.06522	8.6
97.10130	10.0
105.07029	38.6
107.04948	4.0
107.08591	40.2
109.06503	6.9
109.10142	25.4
111.04446	3.0
111.08040	6.5
115.05400	2.9
117.07011	14.6
119.08574	22.4
121.06482	4.7
121.10135	28.1
123.08031	4.7
123.11706	15.5
125.09617	6.8
129.06984	6.5
131.08553	22.2
133.06421	2.3
133.10133	32.5
135.11676	21.0
143.08514	5.1
145.10107	15.7
147.08058	1.9
147.11682	12.5
149.09602	4.4
149.13249	11.6
151.11171	8.6
155.08551	3.9
157.10109	6.2
159.11710	12.6
161.13222	7.2
163.11171	8.5
165.12700	3.2
169.10059	4.1
171.11659	3.7
173.13251	7.2
175.06367	1.8
175.11137	3.7
175.14787	4.9
177.12767	3.4
181.12161	3.1
183.11699	4.2
183.13795	8.1
185.13219	2.7
187.13217	2.8
187.14787	4.0
189.11244	4.8
193.12221	6.5
201.16406	3.4
209.11638	2.2
211.13292	6.2
227.12762	18.6
243.21075	2.9
253.17921	3.6
257.17459	2.2
261.22269	10.5
267.15909	3.8
277.21594	3.3
283.15387	7.6
299.23691	3.2
315.22977	3.3
335.25766	8.7
360.45020	2.0
433.30643	2.4
437.33963	2.8
451.31952	4.1
469.32852	2.9
517.38672	8.9
525.35791	3.2
529.38770	14.6
543.36066	11.1
561.41370	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	3.1
53.03922	5.9
55.01865	6.0
55.05508	31.5
55.31849	2.5
57.03429	7.8
57.07076	5.6
65.03941	6.8
67.05502	91.0
69.03429	3.5
69.07070	26.6
71.04992	35.8
71.08605	3.8
71.50220	3.3
77.03941	3.2
79.05494	62.8
80.09809	3.2
81.03422	16.5
81.06581	5.8
81.07054	100.0
83.04979	14.1
83.08613	22.7
85.02885	8.8
91.05479	64.5
93.07049	70.7
94.35511	3.2
95.04974	18.7
95.08609	54.8
97.06532	11.9
97.10165	9.2
99.08117	4.3
101.52237	3.3
105.04570	3.0
105.07028	38.5
107.04953	4.5
107.08588	41.5
109.06527	6.8
109.10148	20.9
111.08031	6.1
117.07020	12.4
119.08588	24.1
121.10132	22.0
122.10497	3.0
123.11704	14.1
125.09676	5.7
129.07004	6.7
131.08566	16.3
133.10127	31.9
135.11687	18.4
145.10141	14.1
147.08119	3.6
147.11684	11.9
149.13240	7.7
151.11177	9.2
157.10114	8.5
159.11697	9.6
161.13261	5.6
163.11256	4.1
173.13197	6.1
175.11145	5.3
183.13852	5.3
187.13205	4.7
193.10532	3.5
193.12251	13.5
195.13812	4.8
211.13280	19.6
227.12679	4.3
229.68839	3.7
260.85141	3.9
261.22052	3.9
267.16092	3.9
272.45587	2.9
297.39774	3.0
303.41028	3.0
363.25140	3.3
517.38824	13.7
529.38837	7.6
543.38409	6.1
561.41638	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.5
54.82203	1.5
55.01860	3.6
55.05506	22.1
57.03436	3.8
57.07076	2.6
65.03933	4.4
67.05502	83.6
69.07064	19.7
71.04990	46.4
75.05943	1.5
79.05488	59.1
81.03444	2.6
81.07054	100.0
83.04968	9.3
83.08616	14.9
83.97463	1.4
85.06543	7.3
88.65639	1.9
91.05478	58.9
93.07038	57.5
93.07632	2.8
95.04961	13.5
95.08597	43.1
95.09172	3.2
97.06521	6.1
97.10170	3.8
99.08110	2.4
103.05466	2.2
105.07029	32.9
107.08587	33.1
109.06510	4.8
109.10146	16.9
109.23083	1.5
111.08091	4.8
117.07021	12.2
119.08578	16.9
121.10124	22.3
123.11688	18.6
129.07022	3.4
131.08566	15.3
131.42775	1.6
133.10123	31.2
135.11678	17.1
135.64894	1.6
139.11134	2.4
143.08566	3.5
143.14613	1.6
145.10136	11.8
147.11682	7.9
149.13235	11.0
151.11194	13.0
153.60143	1.9
155.08580	2.3
157.10156	2.4
159.11681	13.0
161.13229	5.6
163.14827	3.3
167.14325	1.8
171.11673	3.5
173.13266	6.5
175.14824	3.3
183.13837	14.5
187.13316	1.8
187.14853	3.8
195.13788	4.8
197.13519	1.7
208.50374	2.0
227.16319	2.6
229.68054	1.7
243.21291	2.2
253.18097	2.4
259.20380	3.4
261.22180	5.0
283.18893	2.8
285.17026	4.0
287.15445	1.7
289.21439	2.1
299.23700	2.2
335.25363	2.6
431.63126	1.9
437.33896	1.6
455.35190	2.0
483.36005	1.9
511.37680	1.9
517.38721	15.1
529.38831	23.3
561.41626	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	561.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	2.3
53.03933	6.2
54.62646	1.5
55.01860	4.5
55.05508	29.5
57.03424	4.9
57.07067	3.3
59.03807	1.6
65.03932	3.9
67.05502	88.4
69.03423	3.4
69.07069	19.5
71.04594	2.4
71.04990	46.1
77.03912	1.3
79.05488	68.5
80.71251	1.3
81.03403	4.4
81.07056	100.0
83.04984	12.4
83.08612	16.7
85.06541	7.0
89.26587	1.5
91.05477	61.2
93.07041	66.4
95.04980	11.5
95.08605	49.6
95.09089	1.0
97.06535	11.4
97.10164	8.5
98.21493	4.4
99.08092	2.5
105.07029	36.5
107.04939	1.7
107.08592	39.8
109.06514	4.4
109.10155	19.3
111.04444	2.6
111.08074	6.2
117.07019	13.1
119.08572	18.0
121.06497	1.6
121.10134	23.0
123.08057	3.3
123.11700	17.1
124.38847	1.3
125.09618	5.8
129.06990	3.9
130.07794	2.2
131.08580	20.2
133.10121	32.0
135.08026	2.9
135.11690	19.0
137.09613	1.9
137.13286	1.9
138.78983	1.5
143.08530	5.0
144.09225	1.4
145.10144	13.8
147.08128	1.8
147.11674	11.2
149.09634	2.5
149.13242	11.8
151.11160	13.4
153.12773	2.3
155.08545	2.3
157.10103	3.4
159.11682	16.5
161.09645	2.0
161.13274	6.6
163.11180	4.0
163.14790	1.9
165.12733	1.5
169.12199	2.1
171.11725	3.2
173.13234	6.9
175.14862	4.3
177.12764	4.3
181.12262	2.7
183.11740	1.4
183.12224	1.6
183.13826	13.3
185.13191	3.9
187.13315	3.0
187.14836	3.5
189.11127	2.5
195.13783	6.7
199.14847	1.9
211.13271	2.7
227.12779	6.2
259.20468	2.6
261.22144	5.2
267.15918	1.9
269.17764	2.1
277.21683	2.1
277.36615	1.6
283.15341	2.3
285.16998	3.2
291.19620	2.0
335.25848	3.8
345.23953	1.5
352.92545	1.4
361.27533	3.3
363.25171	1.8
437.33780	2.0
469.32968	2.5
482.91727	1.8
511.37457	2.2
517.38824	17.7
525.35986	2.1
529.38879	20.8
543.36737	10.0
561.41443	46.7
562.41467	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.0
55.01857	4.4
55.05273	2.4
55.05510	26.7
57.03416	4.7
57.07051	3.4
59.04987	1.8
65.03927	5.6
67.05502	89.1
69.03413	3.5
69.07069	17.1
71.04993	51.8
74.98065	1.2
77.03902	1.4
79.05492	70.4
81.03374	2.4
81.07055	100.0
83.04981	11.9
83.08622	10.0
85.06543	7.1
86.79871	1.3
91.05480	65.4
93.07040	69.7
95.04964	12.3
95.08604	40.1
97.06529	9.9
97.10147	5.4
99.08086	2.7
105.04496	2.0
105.07026	36.9
107.04990	1.6
107.08588	36.8
109.06495	4.3
109.10152	19.3
111.04440	1.3
111.08065	5.3
115.05431	1.5
117.07007	12.4
119.08580	15.6
121.10143	24.6
123.08042	2.1
123.11700	17.7
125.09588	4.1
129.07001	3.6
131.08563	17.8
133.10120	32.3
135.08029	1.8
135.11679	17.3
143.08530	2.6
145.10088	9.5
147.11682	6.0
149.09636	2.8
149.13258	14.1
151.11211	14.7
157.10141	1.5
159.11720	10.8
161.13268	5.4
163.11163	3.1
165.12782	1.5
171.11656	2.7
173.13283	2.4
175.11211	1.6
175.14796	1.5
177.12697	5.0
183.13832	16.2
185.13339	2.0
187.13255	3.0
189.16486	1.7
193.12218	1.4
195.13821	3.8
199.14784	2.1
201.14792	1.6
207.89143	1.3
227.12822	3.0
227.16388	2.6
229.65834	1.6
257.17560	1.6
259.20602	1.7
261.22165	5.8
277.21622	1.5
283.15292	1.8
285.17090	3.0
317.24661	2.0
335.25809	2.7
363.25363	2.2
384.21756	1.5
437.34235	1.6
517.38928	22.6
529.38879	7.2
543.36523	5.5
561.41547	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.7
55.01871	11.1
55.05511	45.0
57.03434	9.2
57.07069	7.8
67.05167	8.7
67.05500	97.9
69.03425	6.3
69.07065	32.8
71.04977	6.0
79.05486	72.7
81.03422	11.3
81.07061	92.2
83.04990	13.7
83.08622	26.8
91.05473	60.9
93.07031	73.5
95.04945	23.5
95.08596	60.9
97.06528	6.8
97.10157	24.6
105.07030	50.7
107.04957	6.1
107.08580	59.5
109.10143	32.5
111.04426	7.7
117.07012	24.3
119.08569	36.2
121.10136	35.6
123.08085	8.4
123.11709	10.9
125.09632	16.8
129.07011	9.2
131.08549	39.5
133.10143	32.3
135.08099	6.9
135.11717	25.9
143.08530	15.6
145.06456	6.4
145.10110	38.6
147.11685	16.7
149.13232	15.1
151.11176	5.8
155.08571	6.5
157.10048	13.1
159.11687	25.6
161.13263	11.8
163.11209	19.4
169.10080	9.8
171.11703	12.7
173.11839	6.2
173.13277	14.2
175.14830	7.3
181.12256	10.8
183.11739	7.1
185.13324	5.9
187.14932	8.5
189.11205	19.8
191.10570	6.8
193.12256	6.5
209.11649	9.9
227.12749	26.4
259.20563	11.5
261.19058	4.6
261.22131	22.9
273.21478	4.8
273.77151	4.8
275.19983	7.0
277.21762	5.0
283.15424	19.3
299.23724	21.1
301.21597	7.3
317.24780	10.3
335.25854	8.4
433.31210	15.2
451.32144	20.0
469.33047	22.6
487.34146	17.6
515.36816	7.1
525.35516	19.9
543.36688	100.0
561.37744	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
55.01874	12.1
55.05512	55.5
55.50352	4.1
57.03435	8.7
60.62588	4.5
67.05502	100.0
69.07079	28.6
70.83701	8.2
71.04995	7.2
79.05492	86.7
81.03413	17.4
81.07054	95.2
83.04983	23.3
83.08606	24.9
85.06519	5.3
91.05481	59.0
93.07039	73.2
95.04946	20.7
95.08603	63.3
97.02908	4.9
97.06523	10.9
97.10177	26.8
105.07030	53.9
107.04964	9.8
107.08589	45.5
109.06496	9.5
109.10153	36.1
111.04458	9.5
111.08074	9.1
117.07018	30.5
119.08575	59.7
121.06468	6.3
121.10140	37.8
123.08092	10.5
123.11707	11.9
125.09617	26.9
129.06993	14.0
131.08580	39.8
133.10138	32.4
135.08051	10.9
135.11717	35.7
136.91164	4.7
143.08601	11.0
145.10106	37.5
147.11649	21.8
149.09621	10.8
149.13260	5.5
153.12775	8.2
155.08527	10.5
157.10155	13.9
159.07997	6.4
159.11765	20.7
161.13290	14.8
163.11160	24.7
163.14877	4.7
169.10121	7.7
171.11661	8.4
173.09653	8.9
173.13245	16.7
175.11198	6.6
175.14870	5.6
181.10017	4.5
181.12187	8.7
183.11714	5.8
185.13254	8.8
187.14830	10.0
189.11212	18.0
189.12701	5.6
191.10570	9.1
206.93155	4.6
209.11682	9.9
211.13231	5.8
215.14232	4.3
227.12785	41.0
227.26421	4.5
241.19559	6.3
245.13646	6.4
259.20706	5.6
261.22183	16.3
275.82697	4.6
282.82111	5.0
283.15359	12.4
283.20544	5.1
294.16406	5.1
297.22076	6.2
299.23749	20.5
301.21863	7.2
315.23190	8.8
317.24753	10.1
335.26175	5.0
357.05518	5.0
366.55173	5.5
433.30862	8.6
451.31982	14.8
469.32910	16.4
487.34064	16.4
515.37524	5.3
525.35767	17.4
543.36761	82.8
561.37842	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	561.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.4
55.01859	15.7
55.05295	5.2
55.05511	52.2
57.03437	10.0
57.07055	4.8
60.65642	4.6
65.03921	5.4
67.05176	6.8
67.05507	89.1
69.03434	10.1
69.07066	30.1
70.18033	25.2
71.04976	10.3
72.89385	4.4
73.52109	4.1
75.79127	5.2
79.05064	5.8
79.05492	64.6
81.03418	11.9
81.07063	100.0
81.07537	9.7
81.13203	5.1
83.04972	18.6
83.08624	33.9
91.05485	55.9
93.07044	66.1
93.90271	4.4
95.04974	14.2
95.08611	67.0
97.06554	13.7
97.10173	36.1
105.07013	43.3
107.04994	6.2
107.08611	37.4
109.06509	7.3
109.10168	32.9
111.04430	12.9
111.08076	8.8
116.06287	5.0
117.07002	24.2
119.08581	38.1
121.06499	5.1
121.10107	29.3
123.08060	5.6
123.11668	10.3
125.09656	24.0
125.41716	4.3
129.06953	9.8
131.08566	35.3
133.10133	27.2
135.08078	5.3
135.11702	23.6
143.08548	13.7
145.10123	35.8
147.11687	25.7
149.09567	6.8
149.13286	11.6
153.12689	11.0
155.08543	11.4
157.10149	9.7
159.11737	18.7
161.13249	15.8
163.11195	20.7
169.10129	8.0
171.11696	10.4
173.09573	6.2
173.13278	14.6
177.12692	4.8
181.12254	9.8
185.13174	8.5
187.14764	8.8
189.11218	16.9
189.12740	5.2
193.12219	5.3
199.11417	6.7
199.14832	6.3
227.12762	28.5
259.20523	7.5
261.22101	14.6
283.15433	21.5
299.23669	21.1
301.21646	5.8
309.69162	5.2
315.23178	5.9
317.24689	14.3
335.25687	10.8
433.31076	7.5
437.23505	4.5
451.32135	17.1
469.32941	15.0
487.34021	12.3
525.35461	17.6
543.36798	92.1
561.37817	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.5
55.01870	13.4
55.05507	38.5
57.03436	11.9
57.07061	8.7
59.04990	2.7
65.03934	3.4
67.05502	100.0
69.03416	4.7
69.07066	24.2
71.04974	7.9
71.08608	3.0
79.05491	76.9
80.06256	2.5
81.03417	15.0
81.06585	5.3
81.07053	89.5
82.04199	4.2
83.04987	15.9
83.08620	20.8
85.06516	7.0
91.05477	68.5
93.07038	77.8
95.04963	21.3
95.08604	54.8
97.06518	8.5
97.10153	16.6
99.08085	3.8
105.07036	50.9
107.04939	6.0
107.08589	45.8
109.06489	6.9
109.10149	33.7
111.04426	5.3
111.08054	7.3
113.06029	2.5
117.06995	19.2
119.08591	47.5
121.06474	5.6
121.10133	36.2
123.08071	6.4
123.11720	8.1
125.09634	13.4
129.06996	10.7
131.08559	33.4
133.06482	3.7
133.10124	35.6
135.08028	6.2
135.11688	22.5
137.09616	6.5
139.11134	3.9
143.08563	11.0
145.06477	3.5
145.10124	26.8
147.08011	4.6
147.11650	22.7
149.09631	10.6
149.13235	10.6
151.11160	7.3
153.12831	2.8
155.08603	4.1
157.10127	12.2
159.11708	13.9
161.09645	4.5
161.13199	11.6
163.11218	11.6
163.14841	3.5
165.12758	3.2
167.08551	2.8
169.10216	3.9
171.11697	4.4
171.77859	2.7
173.06956	2.5
173.09579	3.1
173.11868	2.9
173.13251	13.3
175.11165	4.7
175.14819	3.3
177.12688	3.7
181.10210	2.7
181.12303	2.6
183.11739	4.5
185.13200	5.1
187.11108	3.5
187.13216	2.7
187.14774	5.1
189.11249	7.2
189.16446	2.5
191.10695	6.1
193.12183	5.7
197.13263	4.7
199.14795	4.7
201.14758	3.0
201.16476	3.0
202.55386	2.6
209.11632	14.3
211.13243	4.3
213.16209	3.5
214.66846	2.6
221.58517	2.5
227.12846	11.8
229.14232	3.2
229.69417	3.1
259.20541	3.4
261.18521	2.5
261.22083	9.5
267.15869	3.0
275.20099	7.1
277.21683	6.8
283.15405	7.9
285.22131	2.6
289.21744	4.2
293.21005	3.9
299.23691	5.0
301.21506	5.1
303.23157	5.3
315.23260	7.9
317.24765	4.5
335.25818	2.7
375.25354	2.8
389.26971	6.0
433.31039	5.2
451.31961	8.4
469.32852	10.9
487.34363	5.0
525.35974	9.7
543.36908	42.8
561.37750	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	12.7
55.05509	72.6
57.03426	17.1
57.07067	3.9
59.52090	4.3
65.03932	6.9
67.05175	7.6
67.05505	98.5
69.03411	7.2
69.07066	22.1
69.90565	24.7
71.04971	10.8
72.66177	4.3
79.05489	66.3
81.03426	17.4
81.07054	99.2
83.04977	21.3
83.08622	24.7
91.05485	68.5
93.07035	71.5
95.04958	17.5
95.08035	7.6
95.08601	67.1
97.06531	10.1
97.10162	42.7
100.82187	3.6
105.07024	62.0
107.04948	10.1
107.08585	52.3
109.06499	4.6
109.10158	32.7
111.04428	15.4
111.08088	8.6
117.07013	33.0
118.79758	4.4
119.08586	43.9
121.06532	9.3
121.10146	30.4
122.55797	4.7
123.08031	5.9
123.11734	10.4
125.09618	31.3
128.06165	5.3
129.06950	14.1
131.08554	50.6
133.10133	27.9
135.08057	10.8
135.11723	21.3
137.13232	4.5
141.07057	4.1
143.08548	11.6
145.10115	39.2
147.11670	16.9
149.09613	8.9
149.13232	7.3
153.09183	5.3
153.12715	7.8
155.08530	8.7
157.10146	13.1
159.11775	20.8
161.13258	10.2
163.11191	20.6
167.08685	4.7
169.10199	12.3
171.11583	6.9
173.09677	7.9
173.11839	5.2
173.13245	19.7
181.12238	10.6
185.13251	9.7
187.14848	10.8
189.11211	28.1
189.16550	4.7
191.10669	8.6
197.13213	7.1
199.14873	7.2
201.16458	5.5
209.11569	6.2
227.12737	27.3
249.11562	4.7
259.20615	8.1
261.22134	21.1
276.42343	4.3
279.23279	4.8
283.15448	14.9
299.20499	4.0
299.23615	25.3
301.21646	10.1
317.24673	18.7
333.24292	7.0
335.25745	11.6
418.71414	5.1
433.30737	8.7
451.32050	26.7
469.32925	18.8
487.33917	12.5
509.44412	5.1
525.35614	25.5
543.36743	100.0
561.37915	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.1
55.01871	13.9
55.05506	38.0
57.03428	6.9
57.07069	8.0
65.03947	7.6
67.05499	95.4
69.03410	6.2
69.07066	21.3
71.05000	22.5
71.08614	3.9
79.05490	84.2
80.28241	2.5
81.03421	17.5
81.06583	5.4
81.07052	100.0
83.04988	14.7
83.08614	17.5
85.02924	6.0
85.06548	5.8
91.05475	66.5
93.07040	71.0
95.04971	25.8
95.08604	49.4
97.02876	3.3
97.06528	8.7
97.10154	11.5
99.08096	4.5
105.07027	45.2
107.04927	3.1
107.08591	43.2
109.06519	8.5
109.10160	25.8
111.08043	4.2
117.07015	17.5
119.08584	33.0
121.06522	7.3
121.10134	27.6
123.08069	6.2
123.11717	9.5
125.09623	6.7
129.06940	7.1
131.08565	26.5
132.08940	2.9
133.10118	29.2
135.11659	15.7
143.08591	7.5
145.10126	17.4
147.07936	3.3
147.11632	14.9
149.09627	4.5
149.13246	8.6
151.11162	8.7
157.10147	9.1
159.11710	13.7
161.13245	7.8
163.11205	6.5
169.10106	3.5
171.06470	4.4
171.11732	4.7
173.11798	3.3
173.13284	6.5
175.11131	3.8
175.14812	5.5
177.12756	5.2
183.13878	5.4
185.13298	4.1
189.12791	3.0
193.12151	13.2
199.14825	3.2
209.11732	3.0
211.13257	9.4
219.17484	2.9
227.12778	6.9
229.67662	3.2
253.14384	3.4
259.20499	4.7
261.22177	6.2
267.15958	5.7
270.53922	2.5
277.21594	6.7
283.15369	3.7
299.23477	2.7
301.05396	2.7
386.90598	3.0
389.27008	3.8
415.30258	2.8
433.30750	4.8
469.33237	3.5
517.38818	9.4
525.35999	3.2
529.38770	8.9
543.36523	23.0
561.39911	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	561.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79352	3.9
53.03947	8.3
53.78130	4.3
55.01859	15.3
55.05509	46.8
57.03420	13.9
57.07058	6.9
61.28445	3.8
65.03910	5.9
67.05498	100.0
67.36705	3.9
69.03425	5.8
69.07058	32.0
69.87711	4.3
71.04974	17.3
73.88219	3.6
79.05067	6.5
79.05487	91.7
81.03397	15.5
81.07046	86.6
82.04208	4.0
83.04960	18.7
83.08624	23.2
85.02874	4.4
85.06518	6.2
86.17529	3.9
91.05484	73.2
93.07037	89.5
95.04948	26.2
95.08595	59.1
97.06500	12.0
97.10135	15.1
98.07319	7.8
99.08070	4.8
103.30540	4.0
105.07021	59.6
107.04941	7.6
107.08583	43.4
109.06496	6.9
109.10132	38.1
111.08060	5.5
117.07008	17.9
119.08579	36.4
121.06478	8.0
121.10137	41.1
123.08032	7.3
123.11649	8.1
125.09578	16.6
125.71320	4.1
129.06985	12.7
131.08565	36.4
133.10147	32.9
135.11713	23.6
137.09558	5.5
143.08556	10.5
145.10132	24.3
147.08061	6.1
147.11668	24.6
149.13185	8.3
151.11208	4.4
155.08592	4.5
157.10114	4.9
159.11652	17.2
159.28156	3.7
161.13274	9.4
163.11154	13.7
171.11639	8.0
173.09607	5.6
173.11795	4.9
173.13263	12.1
175.11188	4.2
181.12210	6.6
183.11810	4.0
185.13310	4.3
187.14761	4.2
189.11143	6.3
193.12236	6.3
209.24654	4.2
227.12685	13.2
239.80363	4.6
261.22034	7.8
267.15842	8.1
277.21597	13.6
282.08780	4.3
299.23492	4.2
301.21783	4.6
315.23175	5.8
317.24768	5.0
327.23218	7.9
333.24161	5.8
340.68558	4.2
389.26636	8.9
421.04889	4.8
438.70020	4.8
451.32108	7.2
469.33002	10.7
487.34177	4.3
517.39343	5.5
543.36725	37.0
561.37866	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05261	0.8
55.05499	5.0
56.05864	0.9
57.03431	1.2
58.26448	0.8
60.35384	0.8
67.05502	6.1
69.03440	4.4
69.07062	6.5
69.43844	7.1
71.08627	7.9
72.08148	2.2
73.02923	1.1
76.47601	0.8
79.05492	3.4
81.03412	6.1
81.07059	7.4
83.04989	1.4
83.08599	1.5
84.08136	1.3
85.02905	3.5
86.06057	8.3
91.05489	4.0
93.07041	5.9
95.04949	1.7
95.08613	3.9
96.08139	2.6
97.02905	2.2
97.06525	1.6
97.10184	1.5
98.06060	1.2
98.09686	4.0
99.04494	1.3
99.08086	5.9
101.42166	0.8
105.07037	3.4
106.07358	1.0
107.04973	1.2
107.08617	1.5
108.08094	1.7
109.02907	1.6
109.06541	1.0
109.10117	1.8
116.10728	28.7
116.11517	2.0
119.08602	1.5
121.06493	1.1
121.10163	6.0
122.09660	1.9
127.03934	2.4
131.08578	1.5
133.10146	2.1
135.11624	1.1
139.11166	3.3
143.10684	1.7
145.10150	1.2
147.11684	1.5
149.09648	1.7
153.01740	1.0
154.15907	2.6
157.10071	1.0
166.15932	1.4
196.16995	6.7
203.12825	7.1
211.13252	2.2
214.18010	100.0
215.18297	1.6
228.16023	0.9
229.14294	2.2
264.19662	1.3
282.20605	6.6
300.21674	27.1
345.24094	1.0
376.23318	12.8
398.28900	5.0
433.70291	1.0
462.26968	5.7
464.24149	1.1
470.33905	1.1
522.59711	1.1
542.33838	1.3
551.22046	0.9
560.34692	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	560.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01846	1.8
55.05509	4.6
55.54770	1.3
57.03432	2.0
57.88468	1.2
67.05495	4.5
69.03431	2.2
69.07062	4.1
70.06592	1.5
71.08625	4.4
71.58227	1.9
79.05496	6.2
79.08875	1.1
81.03410	3.3
81.07045	6.7
83.08594	1.7
84.08133	1.4
85.02892	4.2
86.06072	5.5
91.05473	4.1
93.07027	6.1
95.04980	2.4
95.08616	5.5
96.08146	2.2
97.02894	2.6
97.06570	2.0
97.10165	3.4
98.09693	2.6
99.04462	2.2
99.08096	2.5
99.81477	1.1
100.67023	1.2
105.07034	4.7
107.08600	5.3
108.76857	1.3
109.02833	1.3
109.10162	1.7
116.10744	15.2
119.08610	3.0
121.10132	4.0
122.09682	1.6
129.07033	1.8
131.08595	2.3
133.10107	1.3
139.11182	2.9
143.10715	2.3
145.10065	1.5
154.15927	3.2
157.10056	1.6
166.15941	1.7
178.15865	1.8
193.12376	1.2
196.16986	6.9
203.12762	7.6
214.18021	100.0
237.74658	1.4
282.20493	1.4
300.21613	4.2
376.23288	12.4
380.28174	1.5
398.29010	7.2
416.59836	1.5
450.02795	1.3
474.21921	1.2
542.35425	1.6
560.35291	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	559.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	11.2
53.91318	4.0
55.01865	7.0
55.05510	32.7
57.03426	15.2
65.03909	5.6
67.05499	100.0
69.07056	23.1
79.05486	83.7
80.51360	4.6
81.03415	10.3
81.07060	87.0
83.04962	13.7
83.08632	11.1
85.06555	5.5
86.34816	4.7
91.05468	64.6
93.07043	94.7
95.04961	23.0
95.08606	62.7
97.06500	6.0
97.10155	9.6
105.07024	53.2
107.04935	8.4
107.08589	39.4
109.06521	7.8
109.10169	31.3
111.08052	6.8
117.07024	17.6
119.08588	33.2
121.06490	5.0
121.10117	27.2
123.08087	9.0
123.11699	4.7
129.06999	18.2
131.08574	22.9
133.10136	27.0
135.11693	20.3
143.08568	9.9
145.10123	24.5
147.11688	40.5
149.13254	7.1
155.08583	5.9
157.10107	6.6
159.11700	12.2
161.09650	6.4
161.13286	14.0
171.11638	23.6
173.13249	7.0
179.14258	4.5
183.11621	9.2
185.13213	6.0
187.14880	5.1
189.12686	5.9
201.02640	4.2
207.13795	17.2
261.22278	13.6
279.15759	4.8
281.17444	31.3
295.60892	4.7
316.46048	4.7
335.25763	54.4
467.35608	7.5
471.50027	4.9
494.89203	5.4
541.38989	72.0
542.39160	4.7
559.40112	28.8
560.40173	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	560.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15113	0.8
51.85104	0.6
52.73496	0.6
56.96544	0.7
57.03422	1.1
59.12495	0.6
61.02904	1.4
62.68833	0.6
67.05486	1.6
67.53575	0.6
69.03426	7.2
70.06587	0.7
71.57799	0.7
73.02889	1.2
78.36313	0.5
79.01839	1.0
80.46072	0.5
81.03387	1.5
85.02902	7.8
87.04430	0.9
97.02888	3.3
97.06506	0.7
99.04467	1.1
109.02866	2.0
127.03905	3.0
130.82695	0.7
134.04626	7.5
135.25215	0.7
141.39055	0.7
143.03371	1.9
145.06358	0.6
152.05658	1.2
153.01823	19.8
153.02930	0.9
154.02153	1.1
165.02325	5.4
167.02635	0.9
167.03951	0.8
181.05432	1.6
182.04953	100.0
183.05177	0.9
191.03436	1.1
194.04933	3.6
195.06462	0.7
200.09238	1.5
205.05447	3.0
207.02980	0.8
216.04628	2.7
219.07001	1.8
221.08722	0.7
224.05980	1.1
231.06981	11.7
248.07619	0.5
248.09636	26.9
266.10693	56.2
267.11087	1.1
314.09268	1.5
359.00864	0.8
377.01849	10.9
378.02100	0.9
395.02722	5.8
396.03149	0.7
398.14899	9.8
400.03867	0.8
418.04269	0.8
428.15976	43.8
429.16379	1.5
503.04901	1.9
516.90466	0.7
560.20129	22.3
561.19989	1.4
586.89166	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	11.2
53.91318	4.0
55.01865	7.0
55.05510	32.7
57.03426	15.2
65.03909	5.6
67.05499	100.0
69.07056	23.1
79.05486	83.7
80.51360	4.6
81.03415	10.3
81.07060	87.0
83.04962	13.7
83.08632	11.1
85.06555	5.5
86.34816	4.7
91.05468	64.6
93.07043	94.7
95.04961	23.0
95.08606	62.7
97.06500	6.0
97.10155	9.6
105.07024	53.2
107.04935	8.4
107.08589	39.4
109.06521	7.8
109.10169	31.3
111.08052	6.8
117.07024	17.6
119.08588	33.2
121.06490	5.0
121.10117	27.2
123.08087	9.0
123.11699	4.7
129.06999	18.2
131.08574	22.9
133.10136	27.0
135.11693	20.3
143.08568	9.9
145.10123	24.5
147.11688	40.5
149.13254	7.1
155.08583	5.9
157.10107	6.6
159.11700	12.2
161.09650	6.4
161.13286	14.0
171.11638	23.6
173.13249	7.0
179.14258	4.5
183.11621	9.2
185.13213	6.0
187.14880	5.1
189.12686	5.9
201.02640	4.2
207.13795	17.2
261.22278	13.6
279.15759	4.8
281.17444	31.3
295.60892	4.7
316.46048	4.7
335.25763	54.4
467.35608	7.5
471.50027	4.9
494.89203	5.4
541.38989	72.0
542.39160	4.7
559.40112	28.8
560.40173	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	559.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.0
55.05511	27.8
57.03435	13.2
62.56363	4.8
67.05503	84.6
69.07069	26.7
70.71952	13.7
71.04961	7.4
76.05714	4.2
79.05495	91.3
81.03426	10.3
81.07058	84.6
83.04958	9.6
83.08623	18.6
87.58646	4.9
91.04952	8.0
91.05479	63.8
93.07045	100.0
93.07625	7.8
95.04964	24.9
95.08604	65.0
97.06528	5.8
105.07030	63.1
107.04942	11.9
107.08574	34.5
109.06521	6.9
109.10160	23.2
117.07003	17.0
119.08562	29.9
121.10139	14.3
123.08083	6.6
123.11715	6.4
129.07018	19.5
130.59563	4.4
131.08549	18.4
133.10107	20.4
135.11679	12.5
143.08566	12.4
145.10121	16.6
147.11679	32.8
149.13301	5.6
159.11687	10.1
161.09552	7.3
161.13261	17.8
169.10086	5.4
171.11678	30.4
172.74577	4.7
173.13217	10.6
183.11664	7.7
189.12730	14.8
199.14784	5.4
207.13783	17.3
246.36819	4.9
261.22162	7.4
281.17490	50.2
303.65463	4.7
323.94159	4.4
327.44992	5.2
335.25781	44.9
467.34708	6.0
541.38916	58.5
559.40259	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	3.3
53.03927	8.5
55.01854	9.4
55.05507	44.2
57.03424	5.1
57.07064	3.1
57.23606	2.5
59.04985	6.2
65.03945	3.3
67.05501	84.2
69.03428	4.2
69.07063	25.1
71.04986	4.0
79.05489	64.5
81.03391	6.5
81.06588	4.2
81.07052	77.9
83.04959	10.3
83.08615	28.5
85.06528	4.5
91.04974	4.7
91.05475	57.3
93.06481	5.0
93.07042	75.4
95.04937	12.9
95.08602	49.8
97.02871	4.1
97.06510	7.8
97.10169	28.2
98.21524	5.1
99.00804	11.0
103.05484	3.2
105.07020	61.4
107.04942	9.6
107.08588	39.3
107.35210	2.6
109.02850	10.4
109.06500	8.3
109.10143	28.7
111.04427	3.9
111.08057	8.1
112.02345	2.7
116.59959	2.6
117.07025	21.7
119.08565	32.5
121.06481	6.7
121.10151	26.3
123.08057	3.5
123.11661	9.2
125.09612	19.9
128.06255	5.6
129.06995	10.9
131.08553	32.2
133.06488	3.5
133.10118	53.2
135.08031	7.0
135.11662	22.5
137.09639	4.0
141.06975	2.8
143.08568	17.4
145.06500	3.4
145.10144	24.1
147.08018	6.4
147.11691	13.1
149.09578	4.5
149.13280	12.9
151.11147	8.5
153.06960	2.5
155.08528	7.1
157.10133	14.9
159.08014	3.8
159.11687	19.8
161.09628	18.8
161.13263	12.0
161.49562	3.0
163.11150	5.4
163.14822	5.4
169.10088	8.1
171.08003	5.6
171.11646	12.5
171.95593	3.5
173.13222	14.1
175.14845	3.8
179.10707	7.3
181.10136	4.4
181.12302	3.4
183.11693	7.4
185.13268	5.8
187.14873	4.7
189.09073	11.8
189.11148	10.8
195.11719	3.8
197.13234	8.3
199.11043	3.6
199.14740	6.0
203.14267	2.7
209.13220	4.8
211.14848	4.3
225.11143	13.5
227.12767	10.9
235.47113	2.6
243.21196	4.7
261.22095	14.9
269.22705	3.0
277.21521	7.4
281.13895	10.3
281.18787	3.2
287.23666	6.8
291.19385	3.2
297.22226	3.9
313.21497	3.8
315.23227	17.9
342.84186	2.9
421.30884	7.6
423.32611	3.2
431.29538	5.0
439.32028	8.8
449.30353	13.0
457.32901	4.4
467.31522	30.7
485.32394	15.9
495.34689	4.6
513.35962	21.2
515.36945	3.3
523.34131	5.9
531.36816	22.6
541.35248	46.8
559.36255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	13.1
55.01867	15.2
55.05514	57.0
57.03436	11.9
65.03931	4.8
65.60486	3.9
67.05503	90.5
69.03420	6.5
69.07071	42.2
70.31314	17.3
71.04999	10.7
73.10265	3.5
79.05492	98.4
81.03417	84.9
81.07058	100.0
83.04996	18.2
83.08628	43.2
83.36443	3.9
85.02912	16.4
85.06548	5.5
89.77287	3.9
91.05482	98.1
93.07048	60.5
95.04965	38.2
95.08606	54.4
97.02866	5.5
97.06510	22.9
97.10166	25.2
98.20896	4.3
105.07030	84.5
107.04963	22.8
107.08591	52.2
109.06503	18.4
109.10152	22.7
111.08096	14.9
115.05465	5.9
117.07014	26.1
119.08569	55.1
121.06502	13.9
121.10137	18.3
123.08066	9.7
123.11707	11.8
125.09622	29.7
129.07021	22.7
131.08565	44.7
133.06512	8.2
133.10136	34.4
135.08107	5.1
135.11696	11.4
137.09605	6.3
138.97815	3.8
141.07013	5.9
142.07784	4.6
143.08598	15.7
145.06461	7.2
145.10132	43.1
147.08058	8.9
147.11688	40.1
149.09613	26.5
149.13278	7.1
149.48349	4.1
155.08566	13.2
157.10135	26.1
159.08022	6.1
159.11685	20.9
161.09634	7.6
161.13280	8.8
163.11162	14.5
165.12770	8.2
169.10129	15.7
171.11729	8.8
173.09653	7.8
173.11858	4.8
173.13219	9.5
175.11159	15.5
177.12729	5.5
179.14287	4.8
181.10115	5.9
183.11691	10.5
185.13196	9.3
187.11186	6.3
189.11227	15.7
193.12234	39.9
195.11710	6.6
197.13264	7.7
199.14850	4.4
211.13223	22.3
213.16388	4.0
227.12823	17.5
229.19518	4.9
244.72058	4.2
257.19046	17.7
267.15939	28.0
275.20078	62.5
285.16815	4.4
292.20309	3.9
293.21210	6.3
299.20108	9.1
313.21735	8.7
315.23328	11.4
349.23730	12.0
431.29788	5.0
449.30496	13.6
467.31454	13.0
485.32458	12.7
504.69843	5.1
523.33942	6.7
541.35303	57.0
559.36377	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53415	2.7
53.03935	10.8
55.01868	25.2
55.05508	45.0
57.03418	12.3
65.03931	4.9
67.05502	86.5
69.03419	6.7
69.07065	48.4
70.70984	5.8
70.71381	4.5
71.04990	7.3
71.24622	2.7
72.01191	2.4
79.05489	69.5
80.33846	2.7
81.02984	4.2
81.03421	55.5
81.06583	5.6
81.07050	100.0
83.04977	19.2
83.08620	33.3
85.02895	12.7
85.06536	5.4
91.05475	94.1
91.96909	2.7
93.07040	60.5
95.01330	9.0
95.04963	38.6
95.08598	48.8
97.06515	37.2
97.10161	13.5
97.59805	2.3
99.08064	2.8
105.07026	93.5
107.04949	28.9
107.08578	37.3
109.06505	10.3
109.10139	18.8
111.08060	12.6
115.05434	4.7
117.06998	33.8
119.08579	54.1
121.06498	11.9
121.10119	15.1
123.04425	3.3
123.08054	8.8
123.11655	7.7
125.09626	12.0
128.06215	6.9
129.07004	18.9
130.07782	4.7
131.08568	46.3
133.06456	7.8
133.10120	50.0
135.08028	11.4
135.11690	12.4
137.09605	9.7
141.06972	6.0
142.07767	7.8
143.08562	14.6
145.06448	5.9
145.09065	3.4
145.10132	32.3
147.08040	6.1
147.11674	32.2
149.09612	14.1
149.13257	6.6
151.11160	4.0
155.08559	8.0
157.06651	2.6
157.10126	20.4
159.08075	3.0
159.11693	18.0
161.09612	3.6
161.13271	10.6
163.11172	10.8
165.12740	5.3
169.10124	8.4
171.08127	2.8
171.11627	7.2
173.13225	9.4
175.11211	8.2
177.12704	7.3
179.14291	15.4
181.10121	2.8
183.11684	8.2
183.91998	2.6
185.13287	5.6
187.11221	4.3
193.12273	21.8
201.12817	4.3
205.12265	6.0
211.13202	15.3
219.13879	2.6
227.12740	3.5
229.14226	4.7
229.19514	3.3
239.17937	6.0
249.14909	2.6
257.18970	9.9
267.15884	35.2
273.18463	6.1
275.20056	92.4
277.21301	2.8
291.19531	8.1
293.20993	9.4
297.22180	2.6
312.87320	2.8
313.21658	5.1
315.23398	3.7
317.21567	2.8
345.72287	3.2
349.23721	16.7
362.91104	2.6
369.23944	2.6
431.29407	3.9
443.10251	2.9
449.30148	7.4
467.31570	6.6
485.32690	6.9
523.34198	5.2
541.35223	39.1
542.35333	3.0
559.28503	4.5
559.36292	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23911	2.4
53.03941	6.5
55.01861	10.8
55.05269	4.0
55.05513	51.9
57.03428	10.4
57.07055	4.3
57.21035	2.5
59.05039	2.3
65.03926	3.2
67.05503	61.0
68.66940	3.0
69.07076	19.1
71.04996	7.3
79.05068	3.4
79.05496	63.2
81.03412	18.0
81.07053	63.4
83.04974	10.9
83.08627	32.6
85.06531	6.0
85.72341	2.8
91.05482	63.4
93.07046	44.3
95.04954	17.7
95.08605	32.5
97.06512	8.1
97.10177	37.5
105.06389	4.2
105.07036	54.8
107.04948	10.5
107.08604	38.4
109.06493	7.1
109.10169	17.6
111.04464	2.3
111.08085	8.9
115.05474	4.6
117.07027	28.4
119.08571	42.4
121.06508	3.2
121.10141	16.6
123.08086	6.4
125.09641	24.9
128.06233	6.9
129.07007	25.5
130.07811	4.2
131.08563	41.7
133.10138	31.6
135.08052	6.9
135.11685	11.8
137.09654	3.9
141.06969	7.1
142.07730	4.4
143.08568	18.8
145.06514	3.8
145.10117	34.9
147.08015	6.7
147.11700	18.0
149.09666	5.1
149.13268	6.3
153.09021	3.2
153.12775	3.2
155.08604	12.6
157.10121	18.7
159.08110	3.8
159.11693	21.0
161.09534	4.3
161.13257	12.2
163.11169	9.9
167.08536	6.7
169.10123	15.8
171.11726	15.0
173.09622	4.1
173.13300	20.7
175.11230	5.4
175.14810	7.4
181.10124	6.1
181.12254	6.5
183.11685	12.2
185.09671	4.4
185.13275	19.4
187.11095	4.8
187.14806	6.2
189.11221	16.9
189.12682	3.1
191.10674	2.7
193.10069	2.7
193.12222	3.0
195.11696	5.9
197.13260	6.2
199.14824	8.0
209.13353	3.8
211.14890	5.1
213.16319	6.4
227.12753	32.4
241.19447	5.2
245.13765	4.1
253.19724	3.5
257.18945	6.1
259.20554	11.9
271.20663	4.5
273.18393	4.6
275.20068	15.5
283.15491	11.6
291.19516	6.7
297.22079	14.5
299.20413	3.1
315.23148	19.6
331.22998	3.0
333.24231	7.7
377.22275	3.1
421.31226	3.5
431.29324	7.2
439.32245	3.4
449.24713	4.0
449.30280	16.7
467.31537	16.3
485.32690	23.3
513.35767	7.4
523.34094	9.0
531.36920	4.0
541.35303	100.0
542.35510	4.3
559.36292	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	17.0
69.62531	63.4
72.15223	7.6
79.05482	10.7
81.03416	11.5
85.02905	33.9
88.57271	10.2
90.86441	9.2
91.05451	24.1
92.90866	9.4
95.04967	11.0
98.20711	9.7
102.19393	9.6
103.05463	12.5
105.07027	18.2
107.04939	39.6
109.02832	10.7
113.03448	10.9
119.04939	21.0
121.06483	11.3
122.03584	8.1
127.03915	14.8
127.27817	9.4
129.76620	8.7
131.04942	17.8
133.02826	19.9
133.06468	19.7
137.05966	100.0
141.20433	8.1
146.07283	8.3
147.04439	20.3
149.05965	24.8
151.07533	33.4
153.01785	33.4
159.32877	9.0
161.05968	62.1
161.09573	16.7
163.07518	51.0
165.05479	9.6
167.06906	11.3
175.07578	14.7
177.05392	13.3
179.07024	26.0
181.08589	13.7
189.09111	32.2
191.07083	10.8
207.10098	75.9
215.07144	10.8
238.43221	9.5
285.10950	10.4
291.12274	12.4
319.30933	8.6
331.15326	17.1
417.65656	10.0
430.32217	8.6
489.69980	9.8
526.78284	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	559.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.1
55.01875	18.2
55.05511	66.5
57.03445	20.0
65.03949	7.3
65.69257	3.9
67.05505	89.6
69.03430	8.5
69.07071	39.4
69.24018	27.4
69.24432	12.9
71.04987	10.4
79.05491	99.4
79.85294	3.8
81.03419	66.2
81.07055	91.0
83.04976	16.9
83.08618	38.3
84.93964	4.1
85.02914	15.7
91.05481	81.0
93.07039	68.5
95.04973	31.8
95.08604	43.3
97.06525	17.5
97.10169	31.2
103.05511	5.8
105.06386	6.8
105.07034	81.0
107.04962	21.7
107.08595	76.8
109.06523	15.2
109.10143	31.6
111.08066	13.8
117.07008	34.2
119.08578	49.5
121.06512	11.0
121.10165	19.1
123.08064	5.0
123.11712	12.3
125.09607	32.4
128.06210	9.5
129.07024	23.9
131.04921	4.7
131.08565	40.6
133.06491	8.7
133.10135	39.1
135.08046	10.6
135.11688	7.9
137.09677	8.5
142.07791	6.9
143.08575	18.2
145.06493	5.8
145.10120	36.7
147.08099	8.1
147.11682	43.3
149.09645	22.8
149.13289	5.3
153.09079	5.3
155.08522	12.3
157.10132	22.8
159.08049	7.0
159.11703	24.7
161.09677	6.2
161.13284	10.0
163.11176	10.0
165.12741	3.8
168.09479	3.3
169.10153	17.7
171.11737	10.8
173.13243	9.0
175.11218	15.7
177.12770	4.2
183.11652	8.2
185.13286	11.9
187.11171	9.1
189.11247	16.0
193.12234	39.8
197.13181	6.0
201.12689	5.8
211.11250	7.6
211.13184	35.6
221.53197	4.8
227.12657	23.0
229.19586	6.3
235.15094	4.4
239.17804	3.6
257.19034	16.5
267.15887	22.8
275.20032	60.0
285.17099	3.5
293.21298	4.9
297.21967	7.0
299.20016	14.2
315.23187	16.4
317.21198	7.1
349.23557	10.3
431.29514	8.5
449.30515	12.9
461.93719	3.9
467.31427	14.3
485.32446	8.6
523.34045	5.1
541.35309	50.0
557.79218	4.5
559.36322	100.0
579.94537	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	558.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.3
69.03402	9.6
70.87202	10.9
79.05482	5.6
85.02894	9.7
90.46270	4.4
91.05467	15.9
91.78963	5.0
91.79551	4.4
97.02895	4.7
97.07507	4.8
101.98864	5.5
103.05436	19.7
105.07001	8.3
107.04934	24.6
115.05432	7.4
119.04911	11.2
122.03635	4.9
128.06194	4.3
131.04926	44.3
133.59758	4.6
135.08058	9.2
137.05963	100.0
147.04385	14.1
148.05125	8.4
149.05928	7.0
151.07550	38.1
161.05963	58.6
161.09625	14.2
163.07542	92.1
173.46480	5.3
175.07521	17.5
177.09103	23.3
179.07043	10.6
181.08557	6.2
184.57938	4.7
189.09146	40.4
195.08025	5.4
207.10123	48.2
219.10083	10.6
221.11708	7.5
227.10809	5.2
236.71599	5.9
255.10040	8.3
281.11810	7.3
285.11261	7.0
287.12796	20.3
309.24237	5.3
311.12775	19.6
313.14401	15.2
331.15393	39.9
343.15472	6.2
371.74411	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	557.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.9
55.01869	6.1
55.05509	26.9
56.37671	2.0
57.03432	7.7
57.07077	5.7
65.03930	2.4
67.05504	55.3
69.07066	21.2
69.14442	2.0
70.06374	6.7
70.06776	5.8
71.04981	5.9
73.27583	1.9
79.05490	43.3
81.03410	8.1
81.06585	3.5
81.07056	51.2
83.04977	8.3
83.08607	12.8
85.06525	3.9
89.06036	2.3
91.04908	2.5
91.05477	50.9
91.06015	3.8
93.07037	50.1
95.04948	12.0
95.08600	41.4
97.06538	8.7
97.10149	7.2
103.05457	2.6
105.07024	45.3
107.04955	6.1
107.08597	26.6
109.06535	5.5
109.10141	17.0
111.08107	3.8
115.05462	3.1
116.06218	2.6
117.07039	22.4
119.08582	35.8
121.06544	3.2
121.10115	12.8
123.08063	5.9
123.11677	3.7
125.09617	5.0
128.06230	4.7
129.06987	23.5
131.08563	38.1
133.10126	21.7
135.08118	3.1
135.11693	14.9
141.06975	10.8
142.07736	4.7
143.08572	24.6
145.10123	36.5
147.08087	2.5
147.11702	19.0
149.09573	5.1
149.13254	6.7
151.11223	3.8
155.08543	22.2
156.09314	3.2
157.10104	27.2
159.08084	3.6
159.11694	20.4
161.09636	4.2
161.13216	10.7
163.11166	10.6
167.08540	10.4
168.09424	3.7
169.10132	22.9
171.08078	3.1
171.11661	24.3
173.09621	3.3
173.13226	11.4
175.14874	5.5
177.12773	2.7
179.08524	3.4
179.14345	2.7
181.10150	14.1
182.10925	4.3
183.11693	22.0
185.13216	15.2
187.11200	4.9
187.14828	7.8
189.12701	4.2
193.10158	5.6
194.10938	2.4
195.11736	15.2
197.13237	17.3
199.14830	7.3
201.16396	4.0
207.11823	4.1
207.13870	6.9
209.13167	10.9
211.14841	7.9
213.16383	11.9
221.13254	5.3
223.14809	5.2
225.16441	4.1
227.12675	5.4
237.16406	2.9
239.17986	4.9
241.19562	7.6
247.16928	2.7
251.17978	2.3
257.19150	4.3
259.20618	11.6
275.20013	12.0
279.15793	3.5
281.17462	6.7
285.22012	2.9
311.20432	3.3
315.23288	3.7
323.23813	3.4
325.21725	2.4
333.24261	5.3
335.23734	4.0
339.22961	2.3
353.24603	5.6
419.33243	5.1
429.31247	7.3
437.34067	12.7
447.32571	28.7
465.33685	35.2
483.34906	17.6
503.34952	3.3
519.95667	2.7
521.36243	10.2
527.36658	2.4
529.38727	10.2
539.37366	100.0
557.38782	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	557.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	3.0
53.03938	8.6
55.01867	6.6
55.05509	38.2
57.03432	7.5
57.07070	4.9
65.03947	8.2
67.05505	100.0
69.03425	3.2
69.07069	21.3
69.44745	14.6
69.45172	5.8
71.04989	3.2
76.82238	2.6
79.05494	72.3
81.03427	12.1
81.07063	70.6
83.04976	8.6
83.08626	19.3
85.06562	5.2
86.40345	2.3
91.04907	2.6
91.05482	63.0
93.07048	68.6
95.04975	22.9
95.08604	45.4
97.06507	3.2
97.10188	14.8
103.05492	2.6
105.07034	46.4
106.43349	2.4
107.04951	12.6
107.08584	38.4
109.06505	5.3
109.10156	31.2
111.08085	5.9
115.05499	4.1
117.07025	28.7
119.08571	27.7
121.06499	3.3
121.10146	23.6
123.08108	6.6
123.11710	4.0
125.09643	8.2
128.06242	5.5
129.06993	17.6
131.08582	39.9
133.10153	19.2
135.08081	4.2
135.11697	12.1
137.09610	3.1
139.11159	3.3
141.07016	6.9
142.07870	2.4
143.08559	19.4
145.06528	2.1
145.10120	25.5
147.11697	13.1
149.13246	5.1
154.07600	2.5
155.07416	2.3
155.08595	9.3
157.10185	12.1
159.08101	2.9
159.11696	20.4
161.09564	2.6
161.13304	6.8
167.08589	3.9
169.10132	10.1
169.30174	2.1
171.08080	3.3
171.11667	11.6
173.11951	2.6
173.13242	11.2
177.12735	4.5
181.10101	4.7
183.11734	7.3
185.13306	7.7
187.11256	5.1
187.14876	6.4
189.11263	5.1
195.11749	5.2
197.13312	7.7
199.14833	7.2
205.12254	5.5
207.11803	2.9
207.13788	2.3
209.13353	3.7
211.14734	2.8
213.16409	3.0
223.13164	27.6
225.16373	3.0
227.12740	3.7
229.14420	5.7
241.14412	3.0
279.15979	7.1
311.23602	4.9
313.25345	4.2
329.24771	4.7
339.48373	2.5
429.31503	3.3
437.34540	3.4
447.32718	8.1
465.33752	9.7
483.34897	7.5
501.35135	2.7
521.36609	2.6
529.38721	3.8
539.37378	27.0
543.35266	2.4
557.38452	95.7
557.52405	5.1
558.38824	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	557.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12145	1.6
55.01870	4.3
55.05268	2.0
55.05508	26.2
57.03423	7.4
65.03926	5.3
67.05502	46.5
69.07066	17.7
69.34699	15.6
69.35115	2.7
71.04971	4.6
79.05492	42.4
81.03393	3.5
81.06586	2.6
81.07055	44.7
83.04967	5.4
83.08613	12.4
85.06562	3.3
91.05474	40.1
93.07043	43.4
95.04978	9.3
95.08598	32.8
97.06519	6.4
97.10155	6.0
105.07028	36.7
107.04967	4.0
107.08590	21.4
109.06499	5.2
109.10154	11.2
111.08060	2.8
113.68990	1.8
115.05408	3.0
117.06999	17.3
119.07798	2.7
119.08581	31.7
121.06477	3.8
121.10148	13.2
123.08094	3.8
123.11693	2.0
125.09628	3.3
128.06198	4.6
129.06998	25.4
130.07820	1.9
131.05049	2.0
131.08546	35.3
133.06538	2.7
133.10112	21.2
135.08076	2.7
135.11722	9.5
141.06979	8.6
142.07764	6.8
142.77477	1.8
143.08553	29.5
145.06465	3.6
145.10115	25.9
147.08109	2.9
147.11661	15.4
149.13260	5.4
151.11084	2.2
153.06996	3.1
154.07849	2.2
155.08549	22.1
156.09288	2.2
157.10110	23.3
159.08073	2.7
159.11688	19.3
161.09572	4.1
161.13237	12.0
163.11153	2.8
163.14841	2.1
165.06932	1.8
167.08612	10.5
168.09323	3.5
169.10141	22.9
171.08049	2.6
171.11674	27.0
173.13245	14.4
175.14755	4.5
177.12671	2.3
179.08572	4.0
181.10112	16.5
183.11674	18.9
185.13258	14.9
187.11227	5.0
187.14804	7.9
189.12695	2.6
191.08661	2.1
193.10252	3.2
194.10805	2.0
195.11697	13.5
197.09549	2.3
197.13222	20.2
199.14828	8.7
201.16365	4.4
203.17928	2.5
207.11813	4.2
207.13651	3.5
209.13330	10.6
211.11082	2.3
211.14873	11.3
213.16415	12.5
221.13254	4.3
223.14804	6.5
225.16406	4.1
231.17206	2.4
233.13326	3.3
235.14757	2.9
237.16447	2.7
239.18033	2.6
241.19652	3.8
249.18637	2.1
251.17886	2.3
257.19037	5.0
259.20648	12.6
263.05994	1.8
263.18115	2.3
273.18463	2.3
279.15994	3.4
281.17343	9.6
295.20642	2.5
323.23593	2.5
327.23303	2.3
333.24176	6.0
335.23584	4.3
339.23187	2.6
349.24945	2.7
353.24573	2.6
419.33136	4.8
429.31482	8.0
437.34201	18.3
447.32535	29.3
455.35587	2.2
456.96609	2.3
465.33603	35.0
483.34662	20.5
501.35843	4.4
511.37857	3.4
521.36279	9.3
525.35297	2.2
529.38513	7.2
539.37292	100.0
540.37543	3.7
551.40350	2.0
557.38385	51.0
557.51660	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	557.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.1
55.01863	18.6
55.05264	3.3
55.05508	42.9
57.03429	7.7
57.07071	3.2
58.37684	2.1
65.03944	4.1
67.05171	3.7
67.05501	52.1
69.03426	5.7
69.07066	24.5
71.04985	6.1
77.80591	1.8
79.05492	61.2
81.03413	48.5
81.07050	47.2
83.04967	10.5
83.08614	20.2
85.02913	2.9
85.06532	2.9
91.05478	61.5
93.07037	41.7
95.04961	24.4
95.08595	23.2
97.02880	7.4
97.06521	13.2
97.10164	20.4
105.07030	40.2
107.04943	21.6
107.08584	29.6
109.06512	8.7
109.10141	9.5
109.32889	2.6
111.04443	2.5
111.08086	7.9
115.05498	3.0
117.07008	18.0
119.04922	2.4
119.08582	30.3
121.06497	10.2
121.10132	11.2
123.08072	9.2
123.11716	2.8
125.09608	13.8
128.06238	3.0
129.06990	17.5
130.07779	2.6
131.04993	3.1
131.08533	26.3
132.32080	2.1
133.06468	6.5
133.10156	15.2
135.08066	8.9
135.11667	11.0
137.09636	4.9
142.07840	2.4
143.08569	11.3
145.06490	6.4
145.10114	25.8
147.08052	8.4
147.11688	7.8
149.09622	9.6
149.13261	3.5
151.11230	2.9
153.09004	2.4
155.08539	6.3
155.79971	2.6
157.06520	4.2
157.10133	14.3
159.08057	4.3
159.11694	12.9
161.09644	7.1
161.13240	3.3
163.11133	10.6
165.09184	2.8
169.10085	5.6
171.07962	2.6
171.11694	5.1
173.09616	5.7
175.11203	6.8
177.12679	2.9
179.14359	3.3
181.10083	2.3
183.11697	4.7
185.09729	4.7
185.13280	3.5
187.11302	3.7
189.11212	9.3
189.12701	2.4
191.10699	3.5
193.12184	11.3
195.11653	2.1
197.13297	2.4
199.11186	3.8
219.13776	11.6
223.13312	8.6
227.12727	13.2
249.14880	3.0
257.18997	6.2
273.18460	15.9
275.20050	19.9
291.19543	52.9
295.20758	3.3
297.18539	2.6
313.21732	9.3
315.19495	3.4
347.22153	4.0
445.25986	3.6
447.29022	3.0
465.30029	6.2
469.84445	2.6
483.31021	8.4
528.43854	2.3
539.33496	17.1
557.34692	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19537	1.4
51.86168	1.6
53.03948	9.4
55.01871	24.9
55.05510	35.0
56.84292	1.6
57.03419	6.9
57.07048	2.6
60.86441	1.5
62.35546	1.7
65.03933	4.7
67.05502	63.7
69.03417	4.1
69.07069	44.0
71.03339	4.8
71.04976	5.3
73.06519	1.6
74.91286	1.4
77.03983	1.8
79.05490	59.2
81.03416	23.7
81.07056	75.3
83.01341	8.1
83.01871	1.4
83.04981	18.7
83.08613	16.9
85.06526	2.8
91.05480	75.9
93.07041	64.3
95.01330	16.4
95.04967	21.9
95.08604	48.1
97.02850	1.9
97.06528	33.3
97.10165	5.5
99.04442	2.9
103.05441	4.3
105.04532	1.8
105.07030	91.8
107.04295	3.0
107.04961	36.2
107.08595	27.0
109.06524	11.0
109.10150	12.7
111.04417	3.7
111.08083	5.1
115.05435	3.9
117.07004	28.8
118.03047	1.7
119.08581	52.4
121.06502	6.8
121.10137	17.4
123.04401	3.4
123.08055	9.2
123.11697	3.3
125.09643	5.4
128.06229	2.9
129.07036	7.7
130.07744	3.4
131.08574	28.9
133.06482	3.7
133.10123	53.6
135.08060	6.2
135.11682	15.3
137.09622	4.7
139.07465	1.8
141.06956	3.0
142.07745	2.1
143.08562	6.9
145.06444	4.6
145.10124	36.3
147.08046	3.1
147.11671	19.7
149.09607	10.2
149.13272	4.1
151.11151	2.0
153.41452	1.7
155.08508	2.8
157.10120	6.8
159.11713	13.0
161.09541	2.6
161.13252	7.3
163.11150	22.0
165.09065	4.5
168.18654	2.0
169.10179	5.0
171.11659	5.5
173.09570	3.4
173.13280	5.9
177.12758	5.9
179.14287	26.6
183.11684	3.6
185.13220	3.0
187.11127	4.3
187.14847	1.9
189.88037	1.6
191.10641	3.8
195.13777	2.1
197.13438	3.3
197.33278	1.8
209.11765	3.8
211.14780	2.3
213.16368	1.6
227.12822	3.1
229.19463	3.9
239.18047	2.9
241.14326	3.2
247.20593	4.0
257.19055	11.9
265.14233	4.3
271.16956	2.0
275.20062	100.0
293.21082	5.7
349.23767	3.3
465.30054	3.5
496.79077	1.7
539.33899	3.6
557.34790	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
55.01858	1.8
56.96562	7.6
57.03423	4.3
59.27871	1.0
61.02914	5.0
68.80873	1.1
69.03434	17.1
70.06595	1.6
71.01324	1.2
72.31072	1.1
73.02919	6.2
77.00879	1.0
81.03412	7.1
82.99873	1.2
85.02900	35.8
86.03224	1.1
87.04473	2.2
91.03937	2.0
92.24535	1.1
97.02887	13.5
98.21517	2.6
98.97564	13.4
99.04440	2.4
99.65977	1.1
101.00854	8.2
101.02318	1.2
109.01421	1.4
109.02882	5.2
110.97540	1.5
111.04411	1.3
113.00875	1.8
115.03957	1.1
116.98616	10.9
119.01910	44.6
120.01993	1.3
127.02428	4.1
127.03904	11.1
128.98607	3.8
129.03937	1.2
131.00189	3.4
131.01897	18.0
132.01976	1.2
133.03462	3.0
134.99622	5.9
137.02939	10.4
137.05963	2.5
141.04057	1.3
143.00163	2.5
143.01892	18.6
145.03456	37.5
145.04961	7.2
146.03516	1.4
146.99655	5.2
147.01332	1.1
147.05080	2.2
149.01195	3.8
149.02939	5.0
153.00639	1.1
153.01822	20.7
153.03941	2.0
154.02153	2.4
155.01880	17.1
155.03079	1.3
157.03442	10.5
158.99655	3.9
159.05019	10.6
161.01228	3.1
161.02951	37.9
161.70776	1.3
163.03221	1.5
163.04520	12.8
165.05498	1.5
167.01967	5.0
167.07024	8.2
169.03442	29.1
170.99680	2.2
171.01343	1.7
171.05019	14.3
173.02956	30.8
174.03018	2.1
175.04482	5.9
177.00774	6.0
177.05589	2.0
178.04924	1.1
178.48436	1.2
179.01970	4.2
179.07048	1.3
181.03479	4.2
183.05098	1.7
184.04642	2.0
185.02950	45.4
186.03122	1.9
187.04510	64.1
188.04668	1.6
189.00676	5.3
189.02440	6.6
189.06056	4.6
191.02269	2.5
191.03949	5.8
193.03856	1.5
193.47787	1.1
195.05098	1.5
196.04530	1.1
197.02945	21.4
197.06563	1.8
197.08160	2.5
199.04520	11.5
200.04314	2.5
201.00742	2.6
201.06094	3.2
203.02202	2.7
203.03998	19.4
204.04129	2.3
205.05606	1.9
207.01717	1.3
207.03490	2.7
208.04759	1.5
209.08136	1.4
210.06099	2.8
211.04536	8.5
213.00667	1.2
213.02419	6.5
213.05960	1.4
215.00455	1.2
215.03996	22.2
215.05815	1.4
216.04320	1.4
217.05669	2.1
219.01706	8.2
221.05058	11.4
223.04672	2.3
225.02397	2.6
225.06155	2.6
227.04018	10.7
227.09273	1.6
229.05623	4.6
231.01791	1.1
231.03517	13.0
233.05038	3.4
235.04652	1.9
237.02789	14.9
238.03172	1.2
239.03967	2.3
241.05893	1.3
243.03543	2.2
244.04245	1.3
245.05066	100.0
246.05232	5.2
249.02620	2.1
255.03481	1.4
257.01306	3.5
257.05161	6.9
259.02594	1.2
259.06534	1.7
261.02817	3.9
263.06125	15.4
267.03741	1.1
267.07074	2.5
271.06668	7.0
272.06644	2.7
273.04779	1.3
273.07999	3.4
275.02509	20.6
275.06094	80.3
276.06265	2.9
277.03311	2.4
277.07718	1.6
279.03870	3.2
281.07294	2.7
282.95230	1.2
285.04916	1.4
286.07727	1.6
287.02457	10.5
287.06079	5.6
287.08865	2.2
289.07721	2.6
291.09207	1.5
293.03552	8.4
293.07138	12.6
296.08884	2.5
303.01260	3.5
305.03546	6.7
305.07233	15.1
307.08749	2.0
311.04361	1.3
315.05774	1.3
316.05292	1.8
316.08786	2.9
317.07089	2.5
321.04993	1.6
321.10355	2.7
322.10522	1.4
327.09253	4.7
328.09314	1.5
333.06732	1.7
335.04642	7.2
335.08197	6.7
335.11713	2.0
341.03302	2.5
347.08014	2.0
355.09253	2.1
359.04538	6.5
359.08405	2.4
365.09320	10.8
377.05588	13.6
377.09491	3.0
383.10208	1.5
386.10983	1.5
395.06525	19.8
411.11459	1.3
455.02692	1.5
539.10815	2.2
557.11664	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	556.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28201	1.5
53.31277	1.6
55.01872	2.6
57.03430	2.6
61.02927	2.6
64.17711	1.8
69.03424	5.7
71.04971	2.6
71.57817	3.3
73.24973	1.8
79.05481	5.1
81.03426	5.3
81.07035	2.4
85.02894	15.7
91.05480	12.9
91.60555	2.1
92.97694	1.6
93.07054	4.2
95.04983	4.8
97.02894	4.9
103.05470	20.4
105.07033	10.3
107.04961	6.5
109.02874	1.8
109.06509	5.0
117.06999	2.2
119.04955	16.3
121.06504	6.4
123.08051	5.2
127.03909	3.1
130.04184	4.1
131.04924	68.8
132.05305	2.1
133.02856	6.1
133.06479	7.9
135.04382	2.7
135.08086	4.1
137.05977	17.8
138.06746	1.8
147.04413	15.5
149.05988	11.4
150.06750	2.9
151.07544	21.4
153.01855	6.5
153.05453	10.0
158.03656	1.7
161.05962	10.8
162.06764	16.9
163.07542	100.0
165.05475	5.9
167.07043	4.6
173.06073	2.0
177.05467	9.5
179.07042	31.7
181.08586	10.5
189.09247	2.1
191.06912	1.9
193.08565	2.9
197.08095	28.0
205.08594	2.0
207.10133	2.3
221.09691	1.9
223.09689	7.8
235.09613	2.0
281.08212	2.0
281.11746	2.0
309.11215	3.0
327.12296	41.8
347.14746	6.6
359.14871	28.6
377.16040	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	555.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	11.8
55.01873	37.8
55.05507	35.4
55.28808	3.4
57.07070	3.4
57.69096	2.8
59.52957	3.0
60.37924	2.7
65.03921	6.5
67.05502	78.7
69.07063	39.9
71.08624	2.9
71.47602	2.9
71.58634	3.2
71.58981	5.0
79.05488	90.2
81.03416	17.4
81.07055	90.8
83.04996	17.4
83.08598	11.3
85.06531	5.0
85.10108	3.2
85.52606	2.8
90.13934	2.9
91.05473	100.0
93.07038	69.3
95.01297	13.8
95.04960	39.1
95.08600	52.8
97.06525	55.3
97.10172	3.8
99.08061	3.4
103.05419	5.4
105.07026	91.1
107.04955	26.8
107.08588	28.4
109.06502	11.6
109.10132	12.2
111.08089	4.7
115.05465	4.1
117.07016	22.9
119.08572	49.8
121.06482	8.8
121.10117	16.2
123.08070	6.7
129.06969	15.8
129.20499	2.9
131.08556	27.7
131.85878	2.8
133.10127	39.8
135.08035	4.1
135.11685	9.0
137.09595	4.7
143.08540	14.6
145.10100	25.2
147.11688	34.1
149.09579	9.5
149.13229	6.8
155.08493	3.7
157.10109	6.8
159.11650	15.2
161.09604	3.5
161.13245	16.5
163.11166	6.5
167.08563	4.1
169.10188	4.2
171.11661	25.3
173.13159	4.3
177.12685	4.6
179.14304	22.0
183.11748	5.0
185.13286	4.7
187.11115	4.3
189.12689	4.3
197.13167	4.4
207.13861	6.7
209.27815	3.3
225.14679	5.8
229.19501	3.5
239.17726	3.2
257.18964	7.7
259.20422	4.0
275.20059	90.4
279.15933	6.2
281.44095	3.3
293.17599	3.4
293.21109	9.7
313.94968	3.4
442.50098	3.2
537.35760	3.6
555.37097	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
54.58377	0.7
54.82821	0.5
55.05505	1.3
67.05490	1.1
69.07088	1.0
70.36594	0.6
70.64707	2.1
71.04996	0.6
73.94556	0.7
76.74877	0.6
78.55949	0.5
79.05500	1.3
81.03384	1.6
81.07044	1.6
83.05000	0.8
88.28104	0.5
91.05461	1.0
93.07072	1.0
95.05000	0.8
95.08621	0.9
99.04468	0.7
105.07044	0.9
107.04967	0.7
107.08607	1.3
109.06524	0.8
109.10188	0.8
119.08531	0.7
121.06567	0.7
125.09596	0.8
137.05966	0.8
143.08604	0.7
145.10077	0.9
153.01817	4.2
157.10049	0.9
180.29718	0.6
187.11176	0.8
230.80957	0.6
301.12601	1.8
312.62488	0.6
375.25348	1.6
393.26120	2.4
555.31390	100.0
556.31860	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	555.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.9
55.01866	4.8
55.02112	1.0
55.05497	1.2
57.03419	2.1
65.03943	2.7
67.01855	3.3
67.05504	6.5
68.99792	4.2
69.03425	9.6
69.07056	1.9
70.16028	5.3
71.04981	1.1
73.02903	3.2
77.03904	1.0
79.01872	1.2
79.05062	2.0
79.05489	22.9
81.03413	13.1
81.07056	14.8
81.76302	1.0
83.08596	1.8
85.02902	16.2
88.11137	1.0
91.05479	19.8
93.07043	20.5
95.04954	10.5
95.08606	2.9
96.84156	1.1
97.02883	9.2
97.06492	2.1
99.04442	2.2
103.05479	1.6
105.04470	1.2
105.07021	4.3
107.04968	9.7
107.08604	2.7
109.02871	6.1
109.06507	8.7
109.10117	1.4
111.00767	1.7
111.04434	3.2
111.08036	2.4
117.07013	4.9
119.04935	13.7
119.08561	2.3
121.02860	2.7
121.06496	9.7
121.10121	2.0
123.04408	3.3
125.02325	2.6
127.03930	7.7
129.06995	1.8
131.04932	2.0
131.08537	2.5
133.06508	2.3
135.04391	3.3
135.08060	4.5
137.02335	2.2
137.05969	9.5
137.09615	1.2
139.07524	12.0
141.01852	2.2
141.06996	1.8
141.09109	2.0
143.03433	1.4
143.04855	1.3
145.05290	1.5
145.06487	8.4
145.10193	1.2
147.04401	51.7
147.08107	1.7
149.09724	1.0
151.03905	2.3
151.07587	2.0
153.01819	71.0
155.08569	1.4
157.06474	2.9
159.04344	1.1
159.08025	2.8
161.05963	3.5
161.09499	1.2
163.03882	2.7
163.07536	3.5
163.11226	1.5
165.01833	22.1
167.07045	2.4
169.06398	1.7
169.08607	1.8
171.02885	29.7
173.09694	1.7
175.03940	1.1
177.01833	5.5
177.09116	2.9
179.03403	6.2
179.07074	1.6
181.06528	1.3
183.02876	33.2
183.08049	1.6
185.06093	1.7
187.03920	1.5
187.07454	1.8
187.11136	1.3
189.01834	7.3
189.05545	1.6
189.09100	1.4
191.03432	6.2
195.02925	8.0
197.00816	4.3
199.03891	3.1
203.03342	3.2
203.06987	1.8
205.05090	1.2
205.08594	2.9
207.02893	12.1
213.05362	1.5
215.03331	1.7
217.01357	1.2
217.04898	2.3
219.02895	5.7
225.03966	2.2
227.06982	1.7
229.04988	3.1
231.02843	2.8
231.06583	5.2
233.04482	1.8
241.08589	1.1
241.12265	1.5
243.02945	1.7
243.06575	2.2
245.08057	6.7
247.09717	1.7
249.07545	2.5
255.06535	7.6
261.03912	6.3
263.08829	1.1
265.10648	3.4
271.05942	2.7
273.07550	100.0
274.08011	2.0
279.04962	6.3
285.07553	13.8
289.07092	2.8
291.08621	12.0
297.07370	5.0
299.09012	1.7
309.07590	6.2
315.08432	4.0
321.07904	1.4
327.08353	1.7
339.08514	4.5
351.08533	1.9
353.10443	2.0
363.08502	3.5
375.12354	5.8
381.09656	8.1
393.13181	9.2
399.10654	13.9
417.11774	13.5
435.12891	3.8
519.16675	2.3
537.17822	1.5
555.18701	1.7
555.30658	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	553.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.0
57.03437	7.4
69.03429	19.7
71.57475	11.2
73.02933	6.3
79.05482	14.2
80.55722	5.4
81.03400	27.9
81.07050	9.9
85.02913	21.4
91.05468	15.6
93.07056	8.1
94.50861	5.9
95.04961	17.3
97.02898	7.8
105.06999	11.2
107.04950	23.3
109.02838	13.0
109.54072	5.5
117.07050	7.6
119.04911	10.7
119.08600	6.5
121.06498	11.0
123.04452	5.1
123.08096	6.3
127.03929	9.7
131.04889	9.5
131.08516	5.9
135.08095	8.4
137.05977	70.4
145.06541	7.4
147.04388	21.3
147.08087	6.0
151.03905	8.6
151.07536	26.2
153.01836	26.7
163.07559	18.0
167.07053	54.8
170.93921	5.9
172.36548	5.2
175.07492	8.6
177.05560	7.3
179.07037	18.3
181.08603	100.0
187.07532	15.2
191.07013	9.7
191.86841	5.3
193.08665	7.6
195.10205	15.8
199.07587	5.5
205.08603	7.4
207.10217	15.8
213.11267	31.2
219.10225	6.7
223.09604	7.7
225.11185	12.2
237.11142	8.3
287.05280	8.1
296.35806	6.2
305.13782	9.9
321.13394	9.5
323.11288	6.1
401.26941	5.6
553.20276	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	553.2273
Annotation	Alangilignoside D
Peak:m/z	Relative Intensity
55.65464	4.6
58.04169	5.2
61.47276	4.8
65.53008	5.0
69.03423	10.4
69.52370	45.2
69.52729	7.5
79.05488	10.2
81.03426	21.1
81.07043	7.7
85.02907	15.6
91.05488	14.7
95.04967	15.7
96.70342	4.9
98.20774	8.3
103.05474	9.0
105.07024	6.9
106.59598	5.1
107.04949	17.8
113.91351	5.5
119.04954	9.0
121.06462	6.3
131.04907	9.2
131.55367	5.6
137.05989	41.7
147.04428	13.9
149.05988	6.5
151.07564	17.2
153.01804	15.9
161.05968	6.4
163.07458	24.5
167.07013	43.4
173.05934	5.8
175.07590	9.8
177.05458	7.7
179.07062	14.4
181.08571	100.0
191.07069	7.0
193.08650	13.3
205.08638	7.9
207.10217	15.6
211.09662	13.0
213.11261	21.0
222.60652	5.7
223.09451	5.6
225.11261	11.3
271.62766	5.2
303.12024	5.7
321.13278	9.5
332.59927	6.2
340.82367	5.1
351.09656	4.9
499.02823	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	553.134
Annotation	Luteolin 7-(6''-p-benzoyglucoside)
Peak:m/z	Relative Intensity
50.01590	0.4
51.02377	0.6
53.03944	3.8
55.01872	0.6
57.03423	0.6
58.23151	0.4
58.27406	0.4
67.05494	0.7
67.35099	0.4
68.99789	0.9
69.03435	3.7
70.06378	1.9
71.04989	0.5
77.03924	0.7
79.05480	2.9
80.05849	0.4
81.03416	8.2
81.07053	1.0
85.02906	3.1
93.07040	0.5
95.04968	7.8
95.08609	0.8
97.02878	5.2
98.21545	0.4
99.04454	1.0
105.03387	73.9
105.04534	1.8
105.07018	0.9
107.04944	1.3
107.08591	0.8
109.02866	4.2
111.00791	1.2
119.08579	0.6
121.02853	3.2
122.57470	0.4
123.04407	2.8
127.03918	4.2
131.08566	0.5
133.02820	0.5
133.10057	0.5
137.02351	1.1
137.05995	1.7
145.04979	1.2
147.04442	1.0
153.01825	6.4
157.06487	1.0
161.06026	0.5
161.80580	0.4
165.01837	2.3
167.07014	1.0
177.42519	0.4
183.02951	1.1
185.06108	0.5
189.05537	0.4
191.10640	0.5
194.40800	0.4
213.05504	1.9
219.09927	0.4
241.04964	1.0
249.07585	8.0
258.05258	1.3
259.05930	0.6
267.08627	1.3
287.05481	100.0
288.05786	1.8
329.06561	0.6
553.25720	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33770	10.3
51.91703	9.8
57.07067	11.6
67.05487	34.7
69.07056	17.8
70.84149	36.3
79.05472	11.7
79.35418	11.5
79.98088	12.1
81.07050	46.7
84.01498	10.6
84.92391	11.1
91.05482	39.1
93.07034	60.3
95.08597	55.4
105.07037	39.9
107.08590	55.8
109.10144	41.8
117.06995	15.1
119.08582	100.0
121.10146	42.0
123.11740	22.0
129.06958	14.3
131.08568	32.0
133.10135	50.8
135.11688	42.4
141.07080	12.6
142.07776	13.8
143.08571	22.2
145.10109	59.7
147.11688	21.6
149.13193	10.4
156.88211	10.4
157.10176	36.1
159.11743	36.6
171.11778	18.8
173.13300	31.0
175.14796	43.6
183.11600	14.8
185.13246	17.8
187.14815	12.8
196.12369	11.1
197.13223	30.1
199.14897	13.7
209.13411	20.6
211.14891	13.5
239.17783	12.8
244.40717	11.9
267.21136	13.0
297.04355	11.0
375.52103	11.3
551.42462	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	551.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.6
54.10438	2.1
55.05510	22.8
57.03419	6.4
57.07076	43.9
65.03938	2.3
67.05502	28.7
69.03425	2.7
69.07058	18.1
69.34415	2.7
69.34734	25.2
71.04979	4.1
71.08630	38.8
73.54181	2.2
75.40121	2.2
79.05477	19.3
81.03414	52.0
81.07057	45.1
83.04970	6.8
83.08618	27.6
85.02900	30.0
85.06529	2.8
85.10172	19.6
91.05473	22.1
93.07057	14.7
95.04974	20.2
95.08608	31.9
97.06542	2.6
97.10169	14.5
105.07018	14.6
107.04974	6.3
107.08589	7.3
109.06576	3.2
109.10150	16.2
111.08080	6.4
111.11710	5.7
117.68211	2.2
119.08578	13.1
121.10135	9.6
123.08078	3.2
123.11735	6.4
129.07004	8.5
131.08565	8.7
133.10138	7.8
147.11697	15.5
157.10158	11.6
165.12700	4.9
175.11194	13.5
193.12242	58.0
211.13290	66.8
216.35728	2.3
218.30484	2.6
267.15958	6.6
341.30478	5.8
551.43048	100.0
552.43347	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	551.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19016	3.1
53.03938	5.5
55.05506	6.2
57.07055	4.0
61.02930	4.4
69.03432	39.6
70.06580	4.0
71.04976	4.5
71.56844	4.2
71.57228	4.7
75.65990	3.4
79.05484	10.5
81.03420	8.1
81.07046	9.8
83.04968	21.5
85.02914	24.9
85.06564	3.5
91.05483	12.0
93.07051	8.1
95.04969	7.1
95.08595	4.4
97.02884	10.2
99.04448	3.9
105.07035	12.6
106.06263	4.2
107.04977	6.7
107.08629	5.1
109.02903	10.3
109.06532	4.4
114.39066	3.5
115.05444	4.4
117.07014	4.7
119.08575	9.8
121.10064	4.9
123.08023	4.6
127.03905	10.9
127.59917	4.0
129.07010	5.2
131.08536	4.9
133.06479	7.2
133.10101	4.7
135.08034	13.9
137.05940	6.8
139.07504	4.7
142.07852	5.0
142.19533	4.2
143.08514	4.4
145.04968	6.4
145.06503	5.3
147.08026	4.6
149.09634	4.3
157.10184	4.5
159.08073	13.2
159.11710	4.5
161.05966	6.5
161.09641	11.0
163.07527	6.8
165.07083	6.5
166.07745	6.6
167.08528	4.0
169.10123	5.4
171.08037	10.4
172.08783	6.8
173.09613	6.6
175.07593	6.6
177.09111	4.6
179.08562	7.7
180.09364	5.1
181.06485	4.1
181.10103	10.5
183.08017	4.3
185.09601	20.5
187.06064	5.1
187.07545	4.8
187.11198	12.7
191.07065	4.4
193.10095	11.4
194.10786	4.7
195.08098	10.4
195.11739	8.3
197.09613	12.4
199.07605	3.7
199.11147	12.0
203.10626	5.3
206.10942	6.0
207.11694	10.6
208.08777	5.3
209.09753	19.6
209.13292	5.5
211.11179	16.6
213.09161	6.2
213.12732	10.1
215.10660	6.1
217.10188	8.3
219.08002	4.5
221.09547	4.4
222.10440	8.7
223.11130	23.5
224.12041	7.1
225.09120	5.6
225.12704	14.8
227.10695	12.2
232.12488	8.5
235.11159	14.6
235.13286	3.6
236.11911	5.2
237.12704	5.9
237.16504	4.5
239.10614	4.7
239.14195	5.5
241.12303	9.2
241.15868	4.5
245.11768	5.7
247.14722	11.4
250.13577	7.3
251.14307	13.7
260.11829	9.9
263.10648	4.4
265.15778	30.6
267.13846	18.2
269.11682	7.9
269.15372	11.0
275.14291	18.6
283.16882	25.2
293.15338	55.5
311.12808	7.0
311.16397	100.0
329.17496	51.0
335.16422	4.8
353.17377	14.5
491.16330	4.6
518.88074	3.5
551.20764	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	551.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01871	6.1
57.03435	1.0
61.02922	1.0
65.03924	1.7
67.05494	1.5
69.03424	6.2
70.06583	0.7
70.63643	0.7
70.63995	2.0
71.04987	1.3
73.02898	1.1
78.04684	1.0
79.05500	3.4
81.03411	1.7
81.07040	1.1
85.02905	8.2
86.62600	0.6
87.04482	1.1
87.39761	0.7
89.03898	1.0
91.05463	3.9
93.07033	2.0
94.04226	1.0
95.04950	2.9
97.02885	4.4
97.06506	0.8
103.05453	9.3
105.07028	1.8
106.04194	0.9
107.04955	7.5
107.08594	0.8
109.02853	1.2
109.06512	1.2
110.03648	1.3
111.04439	0.8
115.05426	1.2
116.06204	0.7
117.03400	0.8
117.07009	1.3
119.04926	0.9
119.08501	0.6
121.06474	4.5
122.03639	3.5
123.04416	4.9
124.05215	1.4
125.05970	0.7
127.03916	1.4
128.06230	3.4
129.06998	13.6
131.04904	9.1
131.08562	2.5
133.06491	1.9
134.03645	1.2
135.04413	1.3
135.08041	1.1
137.05966	29.6
138.03214	0.7
140.04724	0.7
143.04932	0.7
144.05692	1.1
145.02841	1.0
145.06483	2.0
146.03702	0.8
146.07300	0.8
147.04424	1.9
149.05969	11.5
151.03889	1.5
151.07538	3.6
152.04657	1.8
153.01814	1.8
155.06956	1.0
157.06483	14.3
158.07019	0.6
159.04478	3.3
159.08044	2.1
160.05197	0.8
161.05975	5.6
161.09578	0.7
161.10957	0.6
162.06734	1.9
163.03917	1.8
163.07538	7.2
167.07030	56.7
171.06548	1.5
171.07942	0.7
173.79077	0.6
174.06764	5.3
175.07533	4.7
177.05452	24.1
177.09064	0.6
178.06029	0.6
181.04932	15.6
181.08566	1.9
183.06558	1.2
185.05981	3.6
187.07547	2.4
189.09081	15.1
191.07019	1.2
191.10646	2.3
193.08659	1.0
199.07599	1.3
203.06946	0.8
205.08606	0.8
207.08109	0.8
209.08073	5.0
215.08653	0.8
217.08554	10.1
218.07164	1.0
219.08167	1.2
219.10172	1.8
227.10669	0.9
231.07986	1.2
232.08908	1.4
233.07813	1.4
233.09679	2.1
235.07558	1.6
243.08159	0.9
246.06818	1.0
247.07558	1.3
249.09024	0.9
250.09840	0.9
260.08319	1.3
261.09100	3.9
263.06900	1.6
275.06979	0.8
277.08542	1.6
278.09308	2.1
279.10233	1.2
289.08597	1.2
290.09793	0.7
292.07187	1.1
292.10654	0.8
293.11658	2.2
297.11182	0.9
303.05020	1.3
307.09714	2.0
309.11386	1.0
321.11209	5.7
322.11826	1.6
338.11484	0.9
339.12265	1.5
341.14075	0.8
353.13965	1.1
359.14777	1.7
371.14865	100.0
372.15170	1.8
376.82956	0.7
387.14291	1.2
485.65311	0.7
504.81229	0.8
551.21777	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60696	1.4
55.42078	1.5
56.96571	4.1
60.63219	1.5
66.34402	1.5
71.56982	3.7
73.27060	1.5
74.10373	1.5
89.03924	11.2
91.05486	2.1
106.63473	1.7
107.04952	3.9
110.79987	1.4
117.03393	11.2
118.06536	21.8
129.01558	1.5
130.06566	1.7
132.08121	4.2
135.04405	19.4
142.06577	1.7
143.00163	1.7
143.07301	2.7
144.08087	10.6
145.02834	10.4
146.06012	62.3
159.09149	5.6
163.03903	84.9
164.04204	5.0
170.06021	5.0
178.00546	1.9
188.07068	100.0
189.00691	2.1
189.07375	2.0
205.09712	36.3
237.00728	8.9
255.01822	8.5
273.02850	6.9
341.53952	1.6
409.87341	2.5
429.06976	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	551.2134
Annotation	Scorzonoside
Peak:m/z	Relative Intensity
53.03955	1.0
55.01875	6.7
55.05512	1.9
57.03430	0.9
61.02934	1.7
65.03937	1.0
67.05495	1.7
69.03435	6.8
69.57086	4.1
69.57498	1.6
73.02923	1.2
75.24906	0.7
78.04711	0.9
79.05485	2.3
81.03404	3.6
81.07069	1.5
83.04956	1.0
85.02899	7.1
87.04466	0.8
89.03910	1.1
91.05474	4.1
93.07040	1.7
94.04192	1.4
95.04973	2.5
97.02914	4.0
99.04465	1.4
100.11207	1.3
103.05461	7.1
105.07021	1.6
107.04950	7.0
109.02902	1.3
109.06469	1.1
111.04477	0.9
115.05437	1.1
117.07026	1.7
119.04942	1.1
121.06499	4.9
122.03647	2.3
123.04443	3.8
124.05225	1.8
125.06015	1.2
127.03919	2.2
128.06204	3.5
129.07008	13.6
131.04926	7.8
131.08575	2.3
133.06442	2.0
133.10106	1.8
134.03577	1.1
135.04370	1.0
135.07973	1.0
137.05974	28.0
137.09586	1.0
145.06520	2.4
146.07216	1.0
147.04359	1.4
149.06001	11.0
151.07545	3.3
153.01833	2.4
157.06482	13.6
159.04396	1.7
159.08040	2.3
161.05983	3.7
162.06779	1.0
163.03877	1.1
163.07515	5.2
165.05510	1.6
167.07039	51.9
171.06531	1.2
174.06743	4.0
175.07520	3.8
176.25658	0.8
177.05449	22.6
181.04965	16.0
181.08540	1.0
185.05977	3.9
187.07536	0.9
189.09106	13.3
191.10619	2.0
193.08580	1.4
209.08032	2.5
217.08617	8.6
218.07204	1.5
219.10149	2.4
231.08023	0.8
235.07556	1.0
247.07504	1.5
261.09079	3.0
271.87735	0.8
278.09225	1.0
279.10052	0.9
287.05493	2.5
288.05826	4.0
289.06000	3.7
293.11780	2.4
303.10123	0.9
306.08749	1.4
307.09586	2.2
321.11142	4.4
322.12027	1.5
339.12216	1.8
353.13788	1.9
359.14844	1.4
371.14890	100.0
372.15250	1.8
508.35596	1.0
551.21222	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66827	3.4
53.03957	5.8
55.01870	6.2
55.05501	4.9
55.39039	3.2
57.03422	5.0
58.77250	3.5
65.03912	3.7
67.05497	6.6
69.03429	42.4
70.76836	3.2
71.57815	4.5
78.38020	3.3
79.05479	15.5
81.03413	13.3
81.07049	9.6
83.04986	24.9
85.02909	29.5
91.05466	16.5
93.07037	9.6
95.04979	8.4
95.08582	6.1
97.02885	14.3
99.04457	6.3
103.05438	24.4
105.07020	65.0
107.04935	6.1
107.08590	9.1
109.02891	10.0
109.06520	7.1
115.05455	20.2
117.07017	7.7
118.04183	7.9
119.04961	6.4
119.08577	12.6
121.06497	7.1
123.08038	6.0
127.03925	11.0
129.06950	4.8
131.04906	18.7
131.08559	8.6
133.06485	51.0
135.08038	17.8
135.35265	3.4
137.05984	13.1
139.07584	6.2
142.07767	3.6
143.08614	6.9
145.06483	5.8
145.10118	8.0
147.04459	4.1
147.08072	5.5
148.05170	5.5
151.07561	5.0
151.84544	3.4
153.01764	5.7
155.08585	8.1
157.06517	3.4
157.10172	6.2
159.08041	13.9
159.11711	5.3
161.05971	88.2
161.09601	6.4
163.07520	14.0
165.06935	7.3
167.07072	5.1
167.08508	7.1
168.09441	3.7
169.10071	5.8
171.08023	10.7
171.11737	6.2
172.08809	5.4
173.09592	7.9
175.07587	9.0
175.11189	5.4
177.05582	4.4
177.09143	5.0
179.07129	4.8
179.08559	7.9
180.09445	3.4
181.06511	5.2
181.10141	7.7
183.08070	6.0
183.11722	7.7
185.09639	11.9
187.07542	3.7
187.11203	13.3
189.09172	4.9
189.12738	3.6
191.07013	49.4
191.08574	4.4
192.09334	7.5
193.08617	34.9
193.10069	7.1
195.08070	5.5
195.11746	11.2
196.08849	3.7
197.09589	10.6
199.11201	14.5
201.09116	4.7
203.10654	8.2
207.11702	7.6
208.08876	5.9
209.09572	20.0
209.13248	4.6
210.10434	4.5
211.11179	14.8
212.08302	5.5
213.12784	10.4
215.10632	10.3
217.10115	5.4
221.09618	5.2
221.13365	4.6
223.11186	20.4
224.12030	5.0
225.12737	8.7
227.10609	15.8
232.12509	10.9
235.11162	7.9
236.12018	7.1
237.12595	8.6
238.09792	3.6
239.14204	6.5
241.12222	8.3
245.09508	7.7
245.11784	11.5
247.14763	8.2
250.13554	10.2
251.10844	3.4
251.14355	14.2
253.12231	4.5
259.11206	3.6
260.12051	9.5
263.10617	6.4
265.15924	27.6
267.13800	17.5
269.11957	6.5
269.15433	10.8
275.14291	11.8
278.12988	7.0
283.16846	18.4
293.15344	46.7
311.12793	6.3
311.16376	100.0
329.17490	47.9
353.17480	6.9
371.14807	6.6
491.16443	6.0
519.15906	8.3
538.71423	4.2
551.19904	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	550.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79577	6.0
55.05507	15.9
67.05492	17.9
69.07068	51.2
79.05481	19.9
81.07065	65.2
83.04979	10.6
83.08613	7.3
85.02892	18.1
86.09679	16.8
91.05453	10.1
93.07042	31.6
93.29433	6.4
95.08615	34.1
96.62989	5.7
97.06530	11.9
98.20747	19.9
99.08087	12.7
101.53264	5.7
104.10699	6.9
105.07025	41.2
107.08582	32.9
109.06494	17.8
109.10169	41.8
111.11717	7.9
119.08598	29.2
121.10133	19.1
123.08054	8.2
123.11709	25.8
125.00008	6.5
127.07513	7.5
127.11186	20.2
133.10109	18.1
135.11703	18.1
137.05959	14.2
137.09598	8.5
139.11232	8.9
145.10152	14.5
147.11693	62.4
149.09578	7.6
149.13281	9.3
151.11169	8.6
159.11711	9.5
161.13252	31.3
165.12715	41.5
175.11201	11.4
177.05434	10.6
179.14322	12.0
184.07353	45.4
193.12253	24.0
207.13811	18.1
217.75777	5.8
229.14366	20.4
237.18634	8.5
243.15942	30.2
255.19562	21.1
273.43271	7.0
298.29910	5.6
299.23831	6.1
317.24750	30.7
335.25806	100.0
353.26837	84.0
371.27899	14.3
403.50421	6.5
533.17999	5.8
578.81958	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	549.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.2
55.01861	2.9
55.05505	35.0
57.03431	5.5
57.07076	9.0
60.01653	1.5
60.50710	1.4
61.55284	1.4
67.05503	45.5
69.03418	2.4
69.07063	38.5
69.35315	18.4
71.04983	4.9
71.08639	3.3
77.29163	1.8
79.05491	22.9
81.03411	43.1
81.03863	3.6
81.07051	43.8
83.05003	8.7
83.08613	36.1
85.02898	26.9
85.61992	1.8
85.88842	1.5
89.45369	1.7
91.05471	24.6
93.07034	23.2
95.04965	17.6
95.08607	31.2
97.02912	2.3
97.06541	5.4
97.10151	14.5
99.08083	3.3
105.07021	17.3
107.04979	2.3
107.08595	12.0
109.06515	3.7
109.10153	11.9
111.08091	11.6
111.11716	3.9
113.06011	3.2
113.09641	2.0
119.08593	15.3
121.10143	17.5
123.08076	1.7
123.11724	4.9
125.09682	2.0
129.07004	6.9
131.08586	8.2
133.10120	3.8
135.11700	8.4
137.13261	2.3
145.10127	1.7
147.11671	12.8
149.09627	5.2
149.13264	2.4
151.14825	2.1
157.10144	9.5
175.11191	11.7
177.60626	1.8
193.10457	2.0
193.12225	53.6
211.13278	54.8
212.00652	1.9
265.25284	7.2
267.16034	5.6
320.37372	1.7
339.28970	2.9
457.36679	4.3
531.40332	4.8
549.41498	100.0
550.41821	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	549.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.1
54.77330	1.5
55.01861	3.3
55.05509	40.7
57.03428	10.1
57.07067	9.5
65.03921	2.0
67.05497	54.1
69.03426	2.6
69.07061	44.0
69.36477	14.6
71.04984	7.4
71.08636	4.6
79.05491	29.3
81.03413	44.9
81.07049	52.8
82.64619	1.4
83.04974	9.8
83.08612	40.5
85.02895	22.7
85.06562	3.0
85.10165	2.5
85.53773	1.6
90.22381	1.7
90.60500	1.6
91.05470	28.9
93.07032	27.3
94.08090	1.5
95.04968	24.5
95.08593	39.5
97.02890	2.4
97.06533	6.9
97.10155	17.2
99.08103	1.9
105.07005	18.0
107.04955	5.2
107.08575	16.8
109.06517	6.2
109.10146	23.7
111.04422	2.4
111.08070	9.6
111.11735	4.7
113.05984	3.6
119.08563	16.2
121.10143	24.2
123.11700	4.3
123.34346	1.7
125.13338	2.0
129.07007	9.9
131.08591	10.5
133.10139	12.8
135.11673	14.0
137.09648	2.3
142.07805	2.8
145.10074	2.6
147.11668	11.5
149.09605	6.5
149.13243	3.2
151.11220	4.2
157.10120	7.7
165.12759	3.7
175.11156	14.6
191.98407	1.5
193.12231	55.2
211.13275	54.8
213.19838	1.5
247.24286	4.0
253.14407	7.3
261.22195	2.3
265.25214	8.3
267.15814	1.7
271.15308	2.5
324.22806	1.8
339.28894	4.5
363.31091	1.8
416.79230	1.5
457.36899	2.8
531.40295	4.9
549.41486	100.0
550.41968	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	549.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17024	2.2
53.03932	4.3
55.01880	4.7
55.05516	16.7
57.03444	12.4
57.03679	2.5
57.07072	6.7
59.19051	2.1
60.56754	2.2
60.68819	2.3
65.03913	2.5
67.05502	99.8
68.05823	3.7
69.03419	5.4
69.07065	22.9
71.04982	8.6
71.08627	3.5
75.96227	2.4
79.05067	4.4
79.05491	49.6
81.03401	5.3
81.06584	5.1
81.07055	100.0
82.07397	3.2
83.04980	11.7
83.08603	6.4
85.06523	5.1
91.05474	48.8
93.07044	54.2
95.04990	7.6
95.08601	53.7
97.06514	6.8
97.10181	5.8
98.21513	5.1
99.04443	3.0
105.07024	45.6
107.08591	58.8
109.06506	8.0
109.10156	91.0
110.10506	3.0
111.08026	2.4
112.53151	3.0
113.05985	3.2
117.06991	7.3
119.08556	16.1
121.10132	18.9
123.08066	4.8
123.11692	22.6
127.07542	4.4
131.08559	14.4
133.10129	81.7
135.07985	2.7
135.11696	12.3
136.79919	2.4
137.13252	4.7
138.70758	2.2
142.57492	2.5
143.08585	4.1
145.10075	11.8
147.11679	10.8
148.11951	2.4
149.09645	4.5
149.13264	10.4
151.11166	40.6
152.97943	2.6
157.10022	2.8
159.11684	9.6
161.13228	5.9
161.96994	2.7
163.14841	3.9
169.12254	10.2
173.13257	9.2
181.87224	2.3
187.14824	3.0
209.11658	2.4
215.12758	7.1
241.81268	2.7
243.21104	8.9
253.14349	86.0
256.68768	2.7
261.22131	43.7
271.15356	33.8
279.23306	6.0
317.24741	8.8
335.25797	37.9
439.32010	9.0
457.33026	7.2
513.35437	6.6
531.36847	20.6
549.39850	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	549.2693
Annotation	[7'R(S),9R,10S]-7'-Deoxo-2'-deoxy-9,10-epoxy-9,10-dihydro-4'-hydroxy-7'-(1-hydroxyethyl)verrucarin A
Peak:m/z	Relative Intensity
67.05499	1.8
69.03413	1.2
69.93221	2.7
76.88082	0.6
78.04713	0.6
81.03418	2.5
81.07046	1.4
85.02911	1.0
89.03913	7.0
91.05466	1.2
93.07050	1.1
95.08601	2.3
97.02885	1.1
107.08587	0.9
109.02831	0.7
109.06488	1.0
109.10146	5.6
117.03386	18.8
117.04238	0.9
119.08582	2.3
121.10116	1.3
123.08025	1.1
133.10072	1.7
134.03662	1.6
135.04431	1.8
135.11681	4.8
137.05984	1.1
137.09633	1.0
145.02841	50.0
149.05977	6.0
151.11154	0.7
161.05899	0.6
167.06964	1.2
170.76353	0.6
175.14813	2.0
177.05470	100.0
186.05502	0.8
193.15897	1.9
195.06546	1.7
206.07260	0.8
211.16876	3.4
307.98737	0.7
321.09607	3.3
339.10852	5.1
351.30182	0.7
374.04318	0.7
404.70602	0.7
444.59537	0.8
445.51691	0.6
533.10889	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17024	2.2
53.03932	4.3
55.01880	4.7
55.05516	16.7
57.03444	12.4
57.03679	2.5
57.07072	6.7
59.19051	2.1
60.56754	2.2
60.68819	2.3
65.03913	2.5
67.05502	99.8
68.05823	3.7
69.03419	5.4
69.07065	22.9
71.04982	8.6
71.08627	3.5
75.96227	2.4
79.05067	4.4
79.05491	49.6
81.03401	5.3
81.06584	5.1
81.07055	100.0
82.07397	3.2
83.04980	11.7
83.08603	6.4
85.06523	5.1
91.05474	48.8
93.07044	54.2
95.04990	7.6
95.08601	53.7
97.06514	6.8
97.10181	5.8
98.21513	5.1
99.04443	3.0
105.07024	45.6
107.08591	58.8
109.06506	8.0
109.10156	91.0
110.10506	3.0
111.08026	2.4
112.53151	3.0
113.05985	3.2
117.06991	7.3
119.08556	16.1
121.10132	18.9
123.08066	4.8
123.11692	22.6
127.07542	4.4
131.08559	14.4
133.10129	81.7
135.07985	2.7
135.11696	12.3
136.79919	2.4
137.13252	4.7
138.70758	2.2
142.57492	2.5
143.08585	4.1
145.10075	11.8
147.11679	10.8
148.11951	2.4
149.09645	4.5
149.13264	10.4
151.11166	40.6
152.97943	2.6
157.10022	2.8
159.11684	9.6
161.13228	5.9
161.96994	2.7
163.14841	3.9
169.12254	10.2
173.13257	9.2
181.87224	2.3
187.14824	3.0
209.11658	2.4
215.12758	7.1
241.81268	2.7
243.21104	8.9
253.14349	86.0
256.68768	2.7
261.22131	43.7
271.15356	33.8
279.23306	6.0
317.24741	8.8
335.25797	37.9
439.32010	9.0
457.33026	7.2
513.35437	6.6
531.36847	20.6
549.39850	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	549.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40898	5.4
54.85409	4.3
55.05520	5.9
67.05491	12.4
69.03435	25.7
71.57368	8.5
81.03403	7.2
81.07062	22.9
85.02907	92.8
89.46819	4.4
93.40157	4.7
95.08601	6.0
97.02872	15.0
99.04464	9.0
105.07036	11.5
107.08575	6.2
108.94742	4.6
109.10157	30.9
119.08577	12.9
121.10143	10.8
123.11718	100.0
125.05996	18.7
127.03932	24.8
137.05948	6.7
145.04922	5.9
145.10095	7.6
147.08070	6.4
147.11697	19.0
148.52951	4.8
149.09616	11.3
151.07489	16.7
156.09320	5.1
172.03194	5.0
189.12727	28.3
207.13806	84.8
225.14885	35.3
319.75314	4.8
333.16986	35.2
351.18030	70.4
369.18994	41.0
387.20197	37.4
507.69937	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	549.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50809	0.5
51.24829	0.5
53.03952	2.1
55.01864	0.6
55.05513	4.1
57.03434	1.1
59.04985	2.5
61.02924	1.5
65.28164	0.5
67.05468	0.5
68.99782	0.6
69.03430	6.4
69.33068	4.7
71.04964	0.6
79.05483	0.6
81.03415	6.8
81.04850	0.5
83.04977	6.7
85.02902	9.1
89.64167	0.4
91.05446	0.5
93.07034	0.8
95.04961	0.8
97.02892	10.2
98.20779	1.1
99.04432	1.5
101.06032	2.4
105.07015	1.0
107.04926	0.8
107.08598	0.5
109.02878	5.2
109.06501	0.6
121.02856	3.7
127.03914	6.4
133.02795	0.5
133.10153	0.8
137.05966	1.0
137.09636	0.6
145.04953	3.6
145.10078	0.5
147.04408	1.1
153.01834	4.9
161.05931	0.5
163.03952	0.6
165.01852	1.6
167.06970	0.8
183.02834	0.9
187.05959	3.0
213.05464	1.9
227.09171	1.1
241.04898	1.4
245.10222	0.8
258.05273	1.0
271.06097	0.6
287.05490	100.0
288.05893	1.6
299.05463	0.7
329.06497	2.9
377.06607	0.5
395.07657	0.9
510.37469	0.6
549.27209	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	549.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01859	0.5
55.05266	0.7
55.05509	8.5
57.03418	1.1
59.04984	1.4
61.02927	0.8
66.03711	0.4
67.05489	0.4
67.45734	0.5
69.03418	3.7
69.80073	1.0
69.80479	2.6
73.02901	0.7
79.05479	1.2
81.03421	3.6
81.07029	0.6
83.04980	9.3
85.02525	0.4
85.02908	5.7
91.05460	0.9
93.07001	0.9
95.04942	1.6
97.02883	4.0
97.06487	0.8
99.04441	1.8
103.03966	0.5
105.07013	0.6
107.04938	0.8
107.08601	0.5
109.02855	2.0
109.06500	0.7
111.00819	0.7
119.08569	0.6
121.02874	3.2
121.06547	0.5
125.05948	0.6
127.03901	3.7
133.02934	0.6
137.02293	1.1
137.05975	1.5
145.04959	1.7
147.04416	0.6
153.01823	5.6
159.11684	0.6
161.05954	0.7
163.11179	0.4
165.01845	2.4
167.07022	1.2
183.02852	0.7
185.05898	0.5
185.08119	0.5
187.06018	1.1
191.10713	0.5
205.07019	0.8
213.05487	2.0
213.59845	0.4
214.87167	0.5
227.09129	2.2
231.06514	1.0
233.11700	0.6
241.04965	0.6
245.10196	2.1
249.07420	0.5
252.21632	0.5
259.06085	0.7
269.04703	0.5
287.05487	100.0
288.05777	2.6
299.05420	0.9
311.05450	0.7
319.07687	0.5
329.06409	2.8
353.06485	1.1
377.06485	0.6
377.15738	0.5
395.07651	1.3
421.65253	0.6
549.20087	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.6
55.01870	2.8
55.05507	35.6
57.03432	9.7
57.07079	5.2
65.03931	4.2
67.05502	99.8
69.03414	4.2
69.07059	25.0
71.04993	7.2
71.08623	3.6
79.05486	43.3
80.44678	1.8
81.02928	2.0
81.03411	43.3
81.07053	100.0
82.07375	2.4
83.04968	10.0
83.08610	32.3
85.02904	25.5
85.10180	2.6
91.05478	41.9
92.57147	1.7
93.07038	39.9
95.04958	25.3
95.08607	55.8
97.06532	6.3
97.10178	8.5
98.20792	3.6
99.08133	2.5
105.07026	36.0
107.04942	5.7
107.08582	22.6
109.06521	4.9
109.10148	23.6
109.10837	2.1
111.04452	2.7
111.08103	9.8
111.39613	1.5
113.06008	2.8
116.22740	1.6
117.07030	4.1
119.08576	23.7
121.06509	3.4
121.10133	19.1
123.04412	2.1
123.08038	2.2
123.11707	11.0
125.09626	4.5
128.06245	2.4
129.06981	10.0
131.08551	15.0
133.06453	3.0
133.10117	17.2
135.08054	2.6
135.11693	8.7
137.09624	3.4
137.13274	3.1
139.11143	1.8
142.07918	2.1
145.10135	5.4
147.08052	2.5
147.11674	14.8
149.09619	6.6
149.13260	4.7
151.11224	1.9
157.10114	12.2
159.11772	2.8
161.13260	4.7
163.11241	2.8
163.14888	2.9
165.12819	1.9
173.13371	1.9
175.11171	11.4
175.14789	2.3
187.14848	2.2
189.11259	3.0
193.12234	44.7
199.11346	1.6
211.13280	42.7
235.13344	1.9
245.22722	3.1
263.23746	6.9
267.16016	7.2
303.26581	2.2
305.81778	2.1
337.27335	4.0
437.33780	2.1
455.35312	3.5
473.36310	3.6
522.23828	1.7
529.38733	13.9
547.39917	77.5
548.40137	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	547.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.2
55.01866	4.7
55.05507	26.5
57.03426	7.8
57.07074	4.9
65.03946	4.6
65.49240	1.7
67.05502	80.4
68.05828	2.2
69.03416	2.3
69.07070	21.5
69.34988	16.4
71.04992	9.5
71.08636	2.3
79.05494	37.6
81.03419	40.4
81.07056	74.7
83.04989	12.1
83.08624	28.1
83.24458	1.6
85.02898	15.3
85.06547	3.0
91.05479	37.2
93.07042	38.8
95.04961	21.6
95.08606	48.0
97.02894	1.7
97.06538	5.8
97.10160	13.8
99.08100	2.5
103.18668	1.5
105.07030	24.7
107.04980	5.6
107.08592	20.1
109.06535	4.8
109.10148	23.5
111.04413	2.4
111.08083	10.9
111.17679	1.7
113.06011	1.6
117.07037	6.9
119.08571	20.8
121.06525	4.2
121.10134	22.6
123.04489	2.3
123.08032	2.3
123.11718	10.0
125.09654	6.7
129.07036	7.1
131.08604	14.1
133.10135	15.7
135.08136	2.1
135.11688	8.0
137.09631	3.0
137.13301	2.5
139.11176	1.7
142.07787	2.3
143.08556	2.4
145.10162	5.6
147.08044	2.7
147.11674	15.9
149.09636	4.4
149.13300	6.2
157.10077	9.2
159.11722	3.7
161.13287	4.1
163.11218	2.5
163.14816	3.7
165.12766	3.0
173.13348	1.9
175.11208	9.8
175.14886	5.4
187.14960	2.4
189.11220	2.6
193.12227	47.5
205.12334	1.7
211.13264	40.5
227.12657	2.3
235.13211	3.0
238.40002	1.7
263.23828	6.0
267.16052	6.7
275.23645	1.7
289.21823	2.2
303.27090	1.9
337.27554	6.5
437.34573	2.7
455.34915	8.6
473.36386	5.1
481.31839	1.7
510.37924	1.8
511.38214	2.5
529.38831	22.5
547.39911	100.0
548.40973	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.3
53.13133	2.2
55.01860	5.0
55.05510	30.6
57.03431	8.0
57.07073	6.3
65.03936	4.2
67.05504	94.0
67.98760	2.1
69.03436	4.8
69.07067	26.1
69.90262	4.9
69.90685	10.4
71.04999	9.8
71.08647	4.0
79.05495	50.8
79.86413	2.3
81.03420	37.9
81.03858	2.9
81.07058	88.3
82.07378	2.8
83.04984	9.7
83.08619	25.6
85.02914	16.6
85.06563	3.8
91.05484	47.8
92.05818	2.5
93.07043	55.1
95.04974	28.0
95.08602	53.9
95.09169	3.8
96.08949	4.3
97.02864	2.7
97.06549	8.0
97.10144	11.5
105.07032	25.1
105.13519	2.3
107.04974	7.2
107.08588	29.2
108.08831	2.6
109.06554	6.6
109.10152	26.9
111.04475	2.4
111.08099	11.1
113.05997	3.8
117.07007	10.8
119.08592	29.3
121.06539	3.8
121.10149	28.0
123.08070	2.3
123.11733	9.5
125.09691	6.5
129.07024	7.8
131.08549	17.3
133.10132	17.4
135.08095	3.3
135.11717	14.0
137.09641	6.3
139.80646	2.2
145.10178	9.9
147.08154	3.2
147.11700	16.5
149.09642	7.8
149.13283	6.5
157.10153	10.9
159.11703	5.9
160.11951	2.4
161.09633	2.5
161.13261	4.2
163.11211	3.6
163.14827	4.7
173.13292	2.5
175.11168	11.1
175.14922	4.6
187.14870	2.7
189.11223	3.3
193.12230	33.7
211.13268	34.3
211.15002	3.2
227.12965	2.9
261.22147	2.6
263.23862	6.2
267.15997	10.2
287.23917	3.9
289.21912	2.6
337.27374	7.8
437.34409	3.4
455.35190	9.6
473.36212	6.7
501.08475	2.6
515.37274	4.1
529.38892	24.2
547.39722	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.4
55.01876	4.8
55.05511	34.9
57.03441	8.6
57.07082	6.9
57.70745	1.7
65.03946	2.9
67.05503	100.0
69.03420	2.7
69.07071	26.7
69.48194	8.3
69.48621	6.6
70.94765	1.6
71.04993	32.2
71.05363	2.1
71.08648	3.3
77.51355	1.7
79.05495	53.4
81.03423	24.7
81.07056	69.2
83.04993	10.1
83.08625	23.0
85.02934	4.3
85.06545	3.2
87.37590	1.8
91.05480	49.7
91.06001	2.7
93.07043	61.7
93.07628	3.3
95.04967	25.7
95.08603	52.2
97.06561	7.6
97.10164	12.5
99.08102	2.5
105.07030	27.5
105.07664	2.0
107.04987	6.6
107.08596	30.2
109.06548	5.4
109.10161	40.4
111.08129	7.3
111.11741	2.4
117.07011	11.2
119.08572	30.1
119.09324	2.1
121.06569	5.4
121.10137	21.3
123.08103	2.3
123.11763	6.8
125.09692	5.2
129.07079	5.0
131.08574	15.2
133.10107	14.9
135.08107	2.9
135.11682	21.6
137.09604	10.8
137.13272	3.2
143.08626	3.1
145.10120	13.0
147.11693	11.1
149.09653	2.0
149.13345	4.8
155.10658	1.8
157.10202	5.5
159.11726	4.6
160.37790	1.7
161.13358	7.1
163.11156	10.1
163.14919	2.1
169.12360	4.1
171.11743	2.4
173.13287	3.5
175.11305	3.5
175.14951	5.7
177.12819	2.2
181.12358	4.7
181.16214	1.9
187.14938	5.1
189.11308	2.0
193.12242	15.6
202.62489	1.9
211.13388	6.7
227.12778	16.3
249.14978	1.8
261.22433	2.1
263.23856	3.6
267.15875	10.3
271.15286	2.3
303.26813	4.5
337.27234	8.3
437.34357	3.3
442.46771	1.9
445.35657	1.8
455.35492	8.0
473.36691	7.3
503.37280	8.4
515.37665	4.5
529.38782	20.8
547.28119	2.4
547.40247	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.5
55.01877	4.1
55.05513	30.2
57.03439	9.0
57.07077	4.5
65.03941	3.0
67.05504	97.8
69.07068	22.1
69.36815	1.8
70.00733	8.5
71.04977	7.0
71.08644	4.3
78.12962	1.7
79.05492	44.3
81.03420	52.6
81.07054	99.9
83.04981	8.6
83.08616	28.0
85.02901	24.9
85.06551	5.2
91.05477	41.4
93.07043	33.6
95.04966	26.6
95.08603	57.6
95.82051	2.0
97.02922	2.8
97.06560	5.3
97.10191	8.4
105.07026	30.9
107.04959	8.2
107.08583	20.9
109.06475	2.9
109.10150	25.2
109.10828	2.4
111.08082	10.0
113.05989	2.2
115.05471	2.8
117.07014	5.0
119.08578	21.8
121.10154	18.3
123.11700	12.1
125.09600	4.2
129.06993	10.7
131.08572	12.2
133.06419	1.9
133.10124	16.8
135.11694	12.6
137.09641	2.9
137.13232	2.4
142.07800	3.6
145.10129	6.2
147.11684	12.1
149.09645	3.7
149.13258	3.9
151.14832	2.0
157.10107	10.4
159.11699	2.4
161.13264	4.6
163.11208	3.9
163.14844	5.0
165.12779	2.7
171.11670	1.9
173.13263	2.3
175.11208	9.9
175.14821	3.3
189.11290	2.4
193.12245	48.7
211.13292	51.6
227.12848	4.2
241.43861	2.0
245.22746	3.6
249.14798	2.4
263.23825	7.9
267.16010	5.8
269.17422	2.4
290.05530	1.8
291.49063	2.0
303.26852	2.7
337.27466	3.3
343.80463	2.3
388.08197	2.6
419.32809	2.0
437.34558	2.1
455.35425	4.1
465.74438	2.0
473.36258	3.6
529.38898	14.3
547.40015	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.0
53.40338	1.8
55.01876	2.9
55.05505	28.3
57.03435	9.1
57.07073	19.9
62.31508	2.1
64.72420	2.0
65.03934	3.0
67.05498	83.8
69.03420	4.8
69.07063	21.0
70.71005	4.2
70.71370	4.5
71.04980	7.2
71.08633	14.7
79.05479	37.9
81.03413	43.9
81.07051	69.9
83.04986	7.6
83.08614	24.4
85.02894	14.1
85.10187	5.3
91.05468	32.0
91.06008	2.7
93.07037	38.6
95.04961	39.6
95.08604	51.7
97.06541	4.9
97.10151	9.9
99.08106	2.4
105.07023	23.9
105.07597	2.3
107.04964	7.4
107.08592	18.4
109.02918	2.6
109.06488	4.3
109.10152	24.5
111.08106	9.4
117.07008	9.8
119.06920	2.1
119.08585	16.6
119.20232	1.8
121.10132	15.1
123.04426	18.4
123.08109	3.4
123.11697	10.1
125.09618	3.9
129.07004	5.0
131.04939	3.5
131.08586	10.3
133.10118	11.6
135.08090	3.4
135.11719	8.3
137.13322	3.3
137.24266	2.0
143.08597	3.7
145.10147	10.9
145.11156	2.1
147.08099	3.5
147.11682	10.4
147.44423	2.4
149.09561	2.2
149.13272	2.6
151.11174	2.6
157.10141	6.3
159.11771	2.5
163.11261	5.7
163.14908	2.4
165.07117	2.1
165.12868	2.8
171.11745	3.3
173.09662	4.5
175.11124	10.1
175.14879	3.5
189.12785	4.2
193.12210	23.5
207.13849	4.4
211.13307	26.1
211.15015	2.5
217.12181	2.7
227.12712	2.8
235.13268	25.7
239.23811	2.3
245.22762	3.1
263.23807	5.2
267.16107	3.1
302.83078	2.3
304.30408	2.0
337.27545	5.1
455.35486	4.1
501.02985	2.4
529.38617	10.8
547.39978	100.0
548.40387	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	547.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53429	3.0
55.01859	3.3
55.05511	22.1
57.03421	10.0
57.07057	3.5
60.61887	2.7
62.93388	2.9
63.42877	3.2
65.03924	3.9
67.05505	89.9
67.19679	3.5
69.07065	24.8
71.04965	5.6
79.05496	35.6
81.06584	6.1
81.07053	100.0
83.04960	6.5
83.08620	16.1
85.06534	3.9
91.05480	34.6
93.07048	52.7
95.04940	3.8
95.08604	60.2
96.54077	3.0
97.06525	4.7
97.10149	6.9
99.08077	3.7
105.07031	31.5
107.08591	32.7
109.06533	4.5
109.10160	30.9
117.07016	10.4
119.08569	28.8
121.10140	28.0
123.08010	4.1
123.11681	9.9
125.09679	4.1
131.08562	20.0
133.10150	16.7
135.11694	22.7
137.13258	4.7
143.08604	4.6
145.10156	21.2
147.11690	15.8
149.13264	21.1
157.10139	5.2
159.11723	17.9
161.13225	5.9
163.14795	8.2
171.11697	7.2
173.13268	9.9
175.14792	3.3
177.12717	3.1
177.16266	3.9
183.11740	5.0
185.13269	7.1
195.13747	7.4
229.14418	4.4
247.20444	4.4
261.22137	16.2
267.15939	6.4
269.17471	16.9
287.23691	7.5
293.29547	3.2
301.25296	9.2
335.25772	11.0
437.34024	12.9
455.35199	14.0
473.36252	13.8
476.73462	3.8
503.37344	4.2
529.38757	50.1
547.40173	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	547.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01864	5.4
55.05508	16.9
57.03440	11.4
57.07075	2.7
67.05502	71.4
69.03437	3.1
69.07066	19.4
69.42297	16.8
71.04992	11.2
72.96320	2.1
72.96739	2.1
73.78226	1.8
79.05488	43.5
81.03411	4.2
81.06582	3.8
81.07053	69.7
83.04967	6.9
83.08610	8.1
85.06551	10.6
91.05475	68.4
93.07043	53.8
95.05000	10.3
95.08596	23.7
97.06524	3.1
97.10141	4.1
103.05450	2.2
105.07026	86.1
106.07360	2.4
107.08581	48.5
109.06507	8.7
109.10150	68.4
112.74822	1.9
117.07022	12.9
119.08582	42.1
121.10140	15.0
123.08046	3.9
123.11694	12.6
127.07608	3.3
129.06999	6.8
131.08577	19.1
133.10123	100.0
135.11688	16.3
143.08566	7.8
145.10120	15.4
147.11681	32.3
149.09680	2.4
149.13248	8.8
151.11183	43.9
157.10109	8.6
159.11685	13.4
161.09596	3.1
161.13261	26.5
163.14783	2.7
169.10136	2.8
169.12320	9.9
171.11673	9.2
173.13248	9.4
175.14804	11.0
185.13286	9.1
187.14789	4.7
199.14824	4.3
215.12758	6.2
231.21030	7.0
239.17902	2.3
241.19485	27.6
246.72231	2.3
253.14359	59.0
259.20560	55.9
271.15405	45.1
275.19919	2.2
277.21490	4.1
315.23166	4.4
333.24228	29.7
356.19864	2.0
359.17285	3.8
379.79410	2.0
437.30466	3.0
446.40073	2.2
511.34167	3.1
529.35260	12.3
531.51855	2.5
547.38385	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	546.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.9
55.05507	30.8
57.03430	13.3
67.05503	75.3
69.03461	4.8
69.07064	12.1
71.04984	35.3
71.58589	5.7
78.45426	4.4
79.05497	36.4
81.03415	41.1
81.07050	100.0
82.07388	4.4
83.04959	7.9
83.08633	22.4
85.02932	23.1
85.06056	4.0
85.06557	13.5
91.05473	52.0
93.07037	34.5
95.04955	25.2
95.08605	26.2
97.06523	7.1
97.10166	8.5
105.07012	29.6
106.07352	4.9
107.04955	8.5
107.08595	25.6
109.06541	7.8
109.10140	18.4
111.08105	6.1
113.06031	4.8
117.06975	5.7
117.74572	4.4
119.08578	16.8
121.10148	14.0
123.11698	9.9
125.09686	4.8
129.07027	9.2
131.08582	17.0
133.10106	28.0
145.10129	6.5
147.07967	5.4
147.11678	16.8
149.13225	7.1
157.10126	10.0
159.11639	7.8
175.11121	9.0
178.76108	4.4
193.12178	23.3
211.13301	34.4
267.15930	10.5
285.17105	26.6
301.20016	13.4
434.17667	5.3
435.27631	23.6
436.32938	5.7
453.28534	71.1
454.34253	5.9
461.28992	14.1
467.30133	6.5
479.30112	14.2
511.32480	20.5
528.37579	10.1
546.38043	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	547.2512
Annotation	[2'S,3'R,7'R(R),9R,10S]-7'-Deoxo-2'-deoxy-2',3':9,10-diepoxy-9,10-dihydro-7'-(1-hydroxyethyl)verrucarin A
Peak:m/z	Relative Intensity
64.65709	0.4
65.31104	0.4
67.37337	0.4
69.03436	0.6
70.27374	1.1
71.04989	0.4
72.54523	0.4
81.07057	0.8
95.04934	0.5
95.08598	0.5
105.07017	0.9
109.02866	0.4
109.06474	0.5
121.10143	0.6
123.08084	0.4
137.05989	0.6
137.34990	0.4
139.64665	0.4
145.10153	0.7
149.05936	0.5
153.01878	1.0
341.12170	1.7
517.24103	0.9
547.25262	100.0
547.34271	14.4
548.25708	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01053	1.7
61.96568	1.5
63.82759	1.5
64.64233	1.6
65.03945	2.2
67.05511	4.7
69.03437	2.5
79.05512	3.9
81.03424	6.1
81.07073	2.8
85.02914	3.8
89.03937	6.7
91.05489	4.8
93.07095	3.6
95.04968	2.5
95.08629	4.4
95.11584	1.8
98.20702	4.0
105.07068	3.3
107.04980	2.0
107.08625	5.9
109.10194	2.4
117.03361	19.1
119.08611	2.8
121.10151	2.3
133.10127	18.3
135.04498	3.0
135.08183	2.5
137.09660	10.2
145.02835	42.6
149.05991	5.4
167.07115	2.0
173.13272	3.0
177.05472	100.0
182.04419	1.9
191.14357	6.5
193.12180	2.6
226.24957	1.9
229.49167	2.4
252.07278	1.9
321.09802	3.4
339.10837	3.7
502.07172	1.7
547.35699	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	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28795	3.3
53.03942	6.4
53.52187	3.9
55.01879	11.9
55.05511	54.8
57.03440	18.5
57.07078	7.3
67.05505	100.0
69.03421	7.3
69.07063	32.4
69.47948	32.0
71.04970	6.3
73.54904	3.7
79.05495	74.8
81.03422	26.5
81.07055	93.9
83.04987	11.8
83.08611	31.4
85.02924	5.0
85.06554	5.3
85.10155	3.5
91.05479	81.1
93.07046	58.0
95.04979	26.4
95.08606	57.0
97.06546	11.8
97.10172	24.3
98.20794	7.9
105.07021	68.8
107.04955	16.4
107.08589	47.4
109.06513	14.3
109.10152	39.1
109.44952	3.5
111.08115	8.8
117.06998	27.3
119.08589	53.1
121.06505	10.4
121.10136	22.4
122.39461	3.8
123.08095	3.8
123.11701	8.8
125.09649	14.1
129.06993	16.4
131.08571	44.3
133.06491	4.6
133.10133	40.4
135.08060	11.0
135.11652	17.7
137.09627	3.9
141.07016	4.9
143.08556	22.8
145.10114	31.4
147.08109	9.0
147.11655	21.6
149.09633	9.1
149.13284	11.9
151.11226	10.0
155.08553	9.3
157.10162	20.4
159.08096	5.6
159.11734	18.3
160.57288	3.9
161.09676	4.8
161.13275	11.0
163.11243	8.4
163.14821	3.9
169.10120	11.5
171.11690	10.3
173.09677	5.4
173.11838	5.7
173.13246	14.0
175.11234	7.7
177.12810	6.3
181.10104	7.9
183.11711	8.9
185.13329	5.1
187.14865	8.9
189.11247	9.7
189.16472	5.8
193.12234	10.8
197.13321	10.3
199.14883	6.3
201.16400	5.8
209.13297	4.9
211.11266	4.1
211.13184	8.3
227.12804	14.8
243.21053	9.7
253.14319	7.3
257.18979	7.2
261.18616	7.0
261.22198	13.0
267.15875	24.4
275.20123	13.7
285.22083	9.7
299.23685	7.3
301.22009	4.2
301.25061	17.9
317.24725	6.7
335.25803	16.3
394.70789	4.2
417.31503	8.0
435.32532	16.3
453.33585	24.2
471.34552	15.8
486.12872	4.6
509.35947	4.3
527.37384	71.4
542.36938	4.4
545.38806	97.9
547.26447	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	545.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.5
55.01876	4.2
55.05510	42.1
57.03429	9.5
57.07068	2.7
65.03940	5.1
67.05502	83.8
67.66592	2.2
69.03431	5.1
69.07068	17.4
71.04984	5.0
71.42277	2.5
71.42619	4.7
79.05012	2.7
79.05491	73.1
81.03416	39.0
81.07056	75.0
83.04979	11.8
83.08627	27.8
85.02911	19.8
85.06556	4.0
91.05482	57.2
93.07045	66.4
95.04977	30.6
95.08607	48.8
97.06525	5.0
97.10191	12.2
105.07027	44.5
107.04975	5.3
107.08590	30.3
109.06512	9.6
109.10164	18.2
111.08084	6.6
113.05988	2.5
117.07030	13.3
119.08579	30.9
121.06522	2.8
121.10121	22.8
123.08060	4.0
123.11688	6.6
125.09653	8.7
129.07014	12.0
131.08566	27.1
133.10112	21.4
134.74426	2.4
135.11714	13.8
137.09657	3.5
142.07727	2.5
143.08569	6.2
145.06560	2.9
145.10124	14.4
147.08072	4.0
147.11687	23.9
149.09618	7.6
149.13315	5.9
155.08635	2.7
157.10130	11.3
159.11711	11.5
161.13316	6.7
163.14813	4.6
165.12740	3.0
169.10129	3.1
171.11697	5.7
173.13304	8.5
175.11208	8.1
175.14888	3.5
183.11739	2.9
185.13240	2.7
187.13327	2.8
187.14853	8.3
189.11160	3.9
193.12239	48.3
195.86136	2.7
211.13289	36.7
211.15007	3.6
223.68419	2.5
227.12833	6.7
261.22165	8.8
267.15930	8.1
278.96738	2.7
301.25244	11.3
335.25955	9.1
417.31091	2.7
435.32764	6.6
453.33847	9.7
471.34772	8.1
527.37286	33.3
545.38367	100.0
546.38824	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	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	14.3
55.01860	7.7
55.05510	44.2
55.20281	3.1
57.03431	13.4
59.43259	2.8
65.03943	5.6
65.14087	3.4
67.05505	85.9
69.03413	5.9
69.07069	20.0
71.04988	5.3
74.90981	3.1
79.05489	83.3
81.03419	51.1
81.07054	78.6
83.04977	12.7
83.08617	28.7
85.02905	29.3
85.06530	5.5
91.05482	78.8
91.06020	6.3
93.07042	75.4
95.04968	40.6
95.08607	51.2
97.06541	6.8
97.10162	10.0
98.20706	6.2
99.08073	3.7
105.07024	54.3
107.04964	5.7
107.08595	35.0
109.06519	7.0
109.10162	22.0
111.08084	13.3
115.05408	4.6
115.44686	3.4
117.06993	15.7
119.08573	35.1
121.10142	35.0
123.08110	3.7
123.11681	6.3
124.11195	3.7
125.09631	5.2
129.07004	16.9
131.08580	25.1
133.10089	19.6
135.11694	16.1
137.09595	3.9
142.07764	4.4
145.10149	17.5
147.11694	21.5
149.09601	7.5
149.13271	8.4
157.10115	18.9
159.11679	10.9
161.13239	9.9
165.12651	3.9
171.11542	3.6
173.13313	8.1
175.11198	13.1
175.14841	3.7
189.11281	4.3
193.12224	58.6
211.13272	45.8
261.22177	8.4
267.15921	8.2
301.25281	8.0
335.25830	5.8
435.32803	4.7
453.33542	4.8
527.37323	18.3
545.38416	100.0
546.38385	5.3
558.61725	4.0
558.78241	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	545.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.7
55.01865	4.9
55.05510	39.8
56.07213	3.3
57.03424	11.8
63.38112	2.8
65.03918	4.9
66.39382	2.8
67.05499	97.2
67.08313	3.3
68.65524	2.7
69.03423	7.7
69.07061	29.3
69.51493	19.3
69.51904	5.1
71.04994	7.2
73.42776	2.9
79.05489	95.1
80.50783	3.3
81.03411	63.1
81.07050	100.0
83.04964	12.3
83.08609	31.5
85.02907	30.6
85.06535	4.2
91.05473	70.8
93.06474	6.5
93.07034	87.1
95.04959	34.2
95.08602	57.9
97.06509	8.9
97.10153	9.5
98.21492	4.0
103.05437	3.1
105.07030	51.1
107.04931	9.2
107.08578	43.6
108.99311	3.0
109.06500	9.3
109.10139	26.5
111.04434	3.9
111.08062	16.9
117.07051	15.0
119.08575	40.2
121.10134	38.8
123.08049	5.0
123.11675	5.1
125.09605	10.4
127.05651	2.8
129.06998	18.0
131.08586	28.9
131.12262	2.9
133.06491	4.7
133.10114	26.0
135.11642	15.2
135.77972	3.0
137.09573	3.1
142.07777	4.8
143.08568	4.5
145.10091	14.8
147.11693	24.9
149.09648	8.5
149.13237	9.3
155.08575	3.4
157.10120	15.6
159.11703	7.6
161.13235	6.8
165.12759	3.5
173.13199	7.7
175.11203	15.0
175.14813	4.6
183.11696	6.5
189.11255	4.3
193.12233	59.8
198.63713	2.7
202.93929	3.5
211.13271	65.9
211.15202	3.6
227.12712	3.9
261.22046	8.9
267.15955	5.1
301.25214	6.4
320.81329	3.4
335.25748	4.0
435.32736	3.6
453.33109	7.0
471.34464	3.8
527.37317	20.1
545.30463	5.8
545.38318	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.2
55.01864	8.3
55.05508	38.3
57.03430	9.2
59.79315	2.7
67.05503	76.0
69.03414	5.2
69.07063	19.6
71.04998	4.5
76.57255	2.6
79.05486	51.1
81.03423	24.4
81.07053	73.0
83.04980	5.5
83.08599	25.9
85.06558	4.2
91.05486	52.1
91.06030	4.9
93.07041	41.3
95.04967	29.6
95.08595	52.1
97.02864	3.5
97.06522	6.4
97.10182	19.5
105.07012	38.2
105.07572	3.0
107.04960	9.3
107.08591	30.1
109.06545	7.4
109.10148	28.1
111.08083	6.8
117.07020	21.1
119.08590	32.2
121.06511	8.9
121.10150	19.4
123.08083	10.1
123.11678	13.6
125.09601	18.0
129.07013	14.8
131.08569	29.2
133.10094	16.3
135.08054	8.4
135.11714	17.3
137.09624	3.5
142.07816	4.9
143.08574	8.6
145.10117	18.0
147.08096	5.4
147.11682	20.6
149.09604	6.3
149.13307	6.8
155.08574	7.5
157.10184	9.9
158.65112	3.1
159.08104	3.3
159.11722	11.7
161.13287	11.0
169.10132	6.3
171.11690	6.9
173.13203	13.5
175.11169	6.6
175.14844	4.8
177.12796	4.1
183.11658	3.2
185.13316	5.6
187.14854	7.4
189.11217	15.8
193.12241	13.4
199.14786	6.4
201.16470	4.2
227.12651	18.6
243.21202	4.8
261.22202	12.4
267.15964	22.6
279.23190	4.1
285.22220	5.3
299.23727	4.4
301.25192	25.6
303.23251	5.2
335.25784	19.0
342.67508	2.5
358.72372	2.5
359.26004	4.3
421.26120	4.6
435.27328	4.6
435.32764	12.7
453.33667	23.6
471.34821	15.7
509.36276	3.3
527.37262	63.1
528.37756	6.0
545.38361	100.0
546.38672	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	545.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79463	2.3
53.03936	6.0
53.57104	2.7
55.01861	7.8
55.05505	39.7
57.03440	10.4
57.07067	4.0
58.28054	2.7
61.02090	2.5
67.05499	82.7
69.03430	4.8
69.07071	22.0
69.37881	5.5
69.38289	20.2
71.04990	7.2
74.60950	2.5
79.05490	49.4
81.03413	24.2
81.07045	63.5
83.04976	8.0
83.08621	26.3
84.34126	2.5
85.06551	3.2
91.05467	38.7
93.07030	44.1
95.04958	24.4
95.08598	44.4
97.06516	7.4
97.10145	19.4
98.20725	6.6
105.07024	36.9
107.04960	6.9
107.08582	32.3
109.06512	3.7
109.10159	28.0
111.08092	5.7
117.07040	17.6
119.08559	28.8
121.06512	8.0
121.10146	21.7
123.08066	7.8
123.11742	9.3
125.09624	21.0
129.07008	11.2
131.08556	23.5
133.10115	21.8
135.08046	6.0
135.11703	18.5
137.09572	4.4
143.08594	8.8
145.10100	24.0
147.08124	3.0
147.11690	13.5
149.09601	4.6
149.13280	7.8
151.11307	4.0
155.08496	3.4
157.10139	12.7
159.11681	14.0
161.13318	7.9
163.11195	3.7
163.14827	3.6
169.10181	4.9
171.11690	5.4
173.13266	13.2
175.11185	9.2
175.14899	4.5
176.59857	2.6
183.11684	4.0
185.13249	3.9
187.14864	4.4
189.11276	11.3
189.16447	2.9
193.12282	11.1
195.11696	3.8
199.14693	3.5
201.12927	3.6
201.16304	3.9
211.13278	7.3
227.12738	21.0
261.22180	10.2
267.15915	18.7
285.22226	4.4
287.72635	3.0
299.23834	3.0
301.25208	24.2
303.23285	3.9
313.46207	3.0
315.23334	3.0
335.25833	11.5
359.25909	4.8
435.32428	13.4
453.33640	20.9
471.34683	11.6
489.35419	4.1
527.37299	52.5
545.38312	100.0
546.38245	3.9
550.45538	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	545.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.7
55.01859	6.4
55.05508	40.1
57.03436	13.6
57.07053	2.8
65.03931	4.7
66.73050	2.2
67.05501	74.0
69.03417	5.7
69.07063	23.1
71.04967	5.5
75.40697	2.3
79.05489	55.3
79.20400	2.4
81.03419	25.4
81.07051	74.0
83.04958	7.6
83.08627	22.8
91.05477	43.4
92.00443	2.4
93.07035	50.5
95.04973	29.5
95.08604	45.3
97.06540	5.3
97.10166	25.2
98.20660	4.3
105.07022	42.5
106.04174	2.6
107.04951	6.2
107.08580	29.8
109.06487	6.8
109.10148	25.5
111.08067	5.7
117.07018	20.6
119.08575	27.9
121.06488	12.6
121.10141	22.8
123.08109	4.2
123.11694	11.2
125.09623	17.3
129.07025	12.2
131.08556	31.4
133.06425	2.7
133.10085	25.0
135.08043	8.1
135.11676	15.6
141.06952	3.1
142.45915	2.7
143.08566	11.6
145.10126	24.4
147.08020	5.8
147.11644	19.5
149.09624	6.1
149.13252	6.7
151.11168	3.1
151.63686	2.9
155.08560	10.1
157.06453	3.1
157.10104	12.3
159.07965	3.1
159.11681	13.2
161.13264	11.6
163.11206	5.0
165.12733	4.5
169.10080	5.8
171.11685	8.8
173.11934	2.4
173.13277	12.3
175.11067	2.8
175.14827	2.7
181.12119	2.8
183.11688	4.4
185.13206	8.2
187.11125	3.5
187.14833	6.2
189.11205	10.1
193.12289	8.7
195.11720	3.3
197.13298	2.9
199.14799	5.0
201.16222	3.5
211.13252	3.0
227.12714	14.4
229.63087	2.3
233.15291	3.5
243.21053	2.8
247.16975	5.3
249.14992	2.5
261.22226	13.5
267.15854	27.2
279.23257	2.9
285.22061	6.6
299.23712	5.1
301.25229	29.0
333.24353	2.9
335.25864	13.9
359.25641	4.8
421.25601	3.9
435.27393	3.4
435.32690	10.9
453.33585	21.3
471.34579	13.9
527.37280	68.9
545.38287	100.0
546.38361	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	545.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
65.22218	0.4
69.41527	0.7
69.41927	2.7
70.07181	0.3
79.05482	0.4
81.07014	0.6
85.02907	0.4
125.04519	0.3
126.18466	0.3
130.52357	0.3
153.01840	0.8
159.59097	0.3
159.60443	0.3
213.09111	0.3
232.12216	0.3
265.45551	0.3
280.36057	0.3
383.27563	0.6
545.32928	100.0
546.33197	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	545.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45770	0.4
55.01860	0.7
55.05489	1.1
56.96574	0.5
65.95660	0.5
69.03429	0.8
69.37655	2.8
69.38061	1.2
73.71644	0.4
79.05491	1.6
81.03389	0.6
81.07065	1.0
83.08636	0.4
85.02897	1.1
87.69318	0.4
91.05477	1.4
93.07031	1.6
95.04954	0.6
97.02844	0.6
101.27380	0.4
105.06985	0.6
107.04942	0.5
107.08592	0.5
121.06483	0.6
127.03892	0.5
137.05989	0.6
139.07535	0.7
153.01851	1.3
189.11218	0.6
253.65048	0.4
261.12561	0.6
383.11264	0.6
383.27560	0.8
426.35474	0.4
545.32935	100.0
546.25226	0.6
546.33032	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	545.199
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
60.04518	0.3
69.84559	1.6
75.31826	0.4
79.05432	0.4
95.31200	0.4
111.00455	0.3
137.05977	0.7
153.01833	1.5
203.05215	0.8
311.05423	2.1
339.08636	2.8
365.13699	0.5
383.11203	8.7
422.44174	0.4
543.09015	0.4
545.19916	100.0
546.20160	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	545.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66969	0.5
53.90337	0.5
59.88445	0.5
68.55220	0.5
69.03373	0.5
70.90241	0.5
71.57399	0.7
81.03403	0.9
105.06964	0.6
109.02846	0.7
112.28432	0.5
137.02332	1.0
137.05867	0.5
153.01753	1.2
161.05856	0.6
203.05223	0.7
287.05536	2.5
311.05484	19.9
323.05649	1.5
325.07074	1.0
339.08615	26.4
340.08981	1.0
341.10095	1.1
365.13828	0.9
383.11237	74.6
384.11514	2.9
545.19934	100.0
546.20233	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	545.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
61.65323	0.3
67.05509	0.5
69.03418	0.4
69.49179	3.1
70.06583	0.5
71.12932	0.3
78.83195	0.3
79.05474	0.4
81.03457	0.4
81.07072	0.6
85.02935	0.4
85.06545	0.4
87.48582	0.3
88.81958	0.3
91.05477	0.6
93.07043	0.4
95.04974	0.4
97.02922	0.3
98.20717	0.4
105.07053	0.5
106.95260	0.3
109.06530	0.3
122.31756	0.4
139.04030	0.4
141.27594	0.3
153.01866	0.7
163.11383	0.3
183.27155	0.3
191.06929	0.4
281.15298	0.4
305.12863	0.4
338.00421	0.6
351.01526	0.5
353.02820	2.0
383.11517	0.4
383.27740	0.6
453.11722	0.9
512.13232	1.3
515.31982	1.2
545.32965	100.0
546.33337	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.01863	4.0
55.05511	15.2
57.03424	2.7
65.03936	2.2
67.05502	40.5
67.38341	1.0
69.03416	2.3
69.07069	12.4
71.04975	2.4
72.50435	1.1
79.05489	46.3
81.03407	3.4
81.07052	35.0
83.04984	4.7
83.08623	7.8
91.05482	21.9
93.07039	63.1
95.04970	11.4
95.08603	46.7
95.17863	1.1
95.70146	1.1
97.02901	3.4
97.06541	3.5
97.10185	1.9
98.20774	2.1
99.04475	2.7
105.04474	1.7
105.07034	14.9
107.04952	6.5
107.08593	35.8
108.64858	1.0
109.06490	2.6
109.10152	7.6
111.08087	2.0
117.07023	11.7
119.08577	16.5
121.06531	5.8
121.10149	18.6
123.11680	2.2
125.05956	2.0
129.07019	1.4
130.07710	2.1
131.08545	6.3
133.10106	6.7
135.08037	2.2
135.11682	44.4
139.07498	1.8
145.10117	26.6
147.11682	3.3
149.13249	3.6
159.11716	1.4
161.13217	1.9
163.11172	52.5
163.14818	1.2
173.13277	1.8
181.12209	11.5
209.11717	1.8
227.12776	100.0
261.22223	6.3
317.24927	1.9
353.29846	1.1
470.08682	1.4
543.24347	1.5
543.36823	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.01859	6.7
55.05512	23.2
57.03434	5.2
57.07069	2.7
59.05004	2.6
65.03941	1.9
67.05171	2.8
67.05504	39.2
67.49117	1.7
69.03420	2.7
69.07065	12.8
70.25822	5.3
71.04976	3.4
78.09283	1.7
79.05057	3.1
79.05492	35.8
81.03416	9.6
81.07057	34.7
81.99270	1.6
83.04969	6.6
83.08624	14.0
83.96492	1.9
91.04957	2.9
91.05476	24.8
93.07041	31.7
95.04974	7.8
95.08609	21.2
97.06518	3.9
97.10168	12.6
102.74477	1.7
105.07040	22.8
107.04944	4.1
107.08578	19.5
109.06516	3.4
109.10177	12.6
111.04431	3.4
111.08080	3.2
115.05432	2.2
117.06998	13.2
119.08585	17.2
119.33704	1.7
121.06463	2.9
121.10114	13.3
123.08064	7.0
123.11726	3.9
125.09629	12.1
128.06238	3.1
129.06970	10.2
131.08563	22.1
133.06459	2.2
133.10117	12.5
135.08047	3.7
135.11671	10.4
141.06944	2.7
141.95172	1.6
143.08646	9.5
145.06538	3.6
145.10130	21.7
147.07974	2.7
147.11679	7.1
149.09683	3.3
149.13246	3.4
153.12808	3.2
155.08495	3.0
157.10130	9.9
159.08061	5.3
159.11690	14.3
161.13264	2.5
163.11137	8.5
167.08650	2.5
169.10149	6.8
171.11662	8.6
173.09621	3.2
173.13260	8.8
181.10161	3.2
183.11705	5.2
185.13251	4.3
187.14784	4.3
189.11246	8.1
193.12250	2.0
195.11777	2.4
197.13298	4.7
199.11128	2.4
199.14815	3.3
201.16499	2.4
209.11615	2.6
209.13383	2.6
211.14771	4.3
213.16461	3.3
223.14899	2.0
227.12764	8.0
243.21196	2.1
261.22113	5.0
266.36771	1.7
267.16037	2.6
281.22571	2.6
283.20566	4.2
299.23663	11.3
301.21515	2.6
321.21869	2.2
357.24228	2.1
415.29684	2.3
423.32806	3.1
428.11218	1.8
433.30981	6.2
451.32001	14.4
469.33261	7.7
487.34100	3.7
525.35602	19.6
543.36792	100.0
544.36829	4.8
548.29999	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36333	1.1
53.03938	1.9
55.01857	3.8
55.05508	19.4
57.03425	3.7
57.07070	1.8
58.27768	1.3
59.04956	1.4
62.79481	1.2
67.05499	29.3
69.03426	2.0
69.07069	9.2
71.04973	2.1
73.59824	1.2
76.60734	1.1
79.05070	1.9
79.05491	25.1
81.03402	7.1
81.07056	25.1
81.30768	1.2
83.04983	5.5
83.08615	10.4
83.71458	1.1
91.05473	21.4
93.07040	21.9
95.04976	5.8
95.08601	13.9
97.06529	3.6
97.10160	10.1
99.08064	1.4
102.22816	1.4
105.07024	18.3
107.04939	4.0
107.08585	13.0
109.06511	3.3
109.10172	8.9
110.48974	1.1
111.08081	2.5
115.05436	2.1
117.07021	13.1
119.08581	15.8
121.06539	1.9
121.10139	9.2
123.08044	1.4
123.11703	2.4
125.09620	10.0
126.81124	1.1
128.06224	2.6
129.06996	8.9
131.08565	17.3
133.06526	2.0
133.10130	10.9
135.08052	3.5
135.11705	7.5
139.11115	1.6
141.07008	2.2
143.08548	7.3
145.06459	1.8
145.10103	13.6
145.84392	1.1
147.08072	2.5
147.11674	6.3
149.09630	3.4
149.13243	1.7
155.08539	3.2
156.09348	1.5
157.10146	7.8
159.08060	1.8
159.11716	10.3
160.34047	1.1
161.13226	3.5
163.11147	6.6
167.08562	2.2
169.10136	4.4
171.11638	5.8
173.09631	4.2
173.13254	6.0
175.11186	1.6
175.14851	1.7
181.10181	2.6
181.12288	1.5
183.11703	5.6
185.13284	5.0
189.11194	7.9
193.12231	2.4
197.13252	3.2
199.11035	1.2
199.14873	3.5
209.11623	3.3
209.13362	3.0
211.14810	1.8
215.14297	1.2
223.14793	2.5
225.16347	2.3
227.12721	12.7
241.19629	1.2
243.16014	1.7
251.28514	1.1
259.20764	2.0
261.22104	3.0
267.15927	2.4
275.20065	2.8
281.22595	1.5
283.20529	2.1
297.22104	1.6
299.23587	9.2
301.21466	2.0
325.21704	1.3
333.24286	1.9
353.24628	1.3
357.23920	1.6
415.29633	2.6
433.31052	7.2
451.31931	11.3
469.33258	9.3
487.34164	2.2
507.34540	2.6
515.37213	1.8
525.35767	21.9
543.36792	100.0
544.37219	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.5
55.01863	6.0
55.05506	32.0
57.03424	5.0
57.07062	2.1
65.03918	2.8
67.05502	47.4
69.03429	3.7
69.07066	15.1
69.43816	9.1
69.44241	7.7
71.04961	3.9
76.90795	1.8
77.03891	1.7
79.05494	37.5
81.03414	8.0
81.07048	38.0
83.04988	8.7
83.08615	14.2
84.06200	1.7
85.02928	1.9
86.60110	1.7
91.05472	34.5
93.07037	35.2
95.04967	13.2
95.08601	24.9
97.06527	4.9
97.10167	11.8
97.10687	1.7
105.07018	27.4
107.04939	6.8
107.08580	21.2
109.06527	5.5
109.10152	14.0
111.04420	2.7
111.08102	4.6
115.05470	2.7
117.06998	17.3
119.08583	18.7
121.06564	2.6
121.10132	14.8
123.08057	4.2
123.11716	3.4
125.09634	9.9
128.06201	3.1
129.07002	9.3
131.08551	20.1
133.06448	2.5
133.10126	17.3
135.08067	5.2
135.11656	10.4
141.07027	2.7
142.07811	3.3
143.08559	9.5
145.06473	3.7
145.10095	22.3
147.11702	8.0
149.13306	5.3
153.12679	4.2
155.08592	5.4
157.10121	8.6
159.11694	12.4
161.13263	4.5
163.11180	8.3
167.08635	2.2
168.09314	2.4
169.10118	4.8
171.08038	2.3
171.11705	6.1
173.09645	3.7
173.13246	5.9
175.11139	2.4
175.14751	2.1
183.11678	4.4
185.13249	5.0
187.11154	2.2
187.14813	4.5
189.11246	5.3
195.11725	3.5
197.13261	4.5
199.14838	2.7
209.13295	3.6
211.14914	2.9
215.14523	1.8
227.12692	10.0
233.15442	2.6
239.17984	2.6
259.01300	1.8
259.20508	3.3
261.22177	2.3
267.15964	3.3
275.20032	10.7
283.20450	2.5
299.23740	9.4
327.23038	2.0
357.24313	3.0
423.32925	2.5
433.30984	5.0
451.32083	9.6
469.33032	6.5
487.34167	3.5
507.35037	3.2
525.35736	17.4
527.30988	1.9
543.36816	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08685	1.8
53.03941	2.9
55.01865	7.7
55.05503	25.7
55.79919	1.9
57.03436	4.0
62.17861	2.5
67.05499	37.8
69.03423	3.4
69.07059	14.1
71.04971	4.8
79.05487	32.3
81.03408	7.5
81.07054	38.1
83.04978	7.0
83.08614	17.9
83.68803	2.1
91.05478	21.9
93.07038	26.8
95.04977	12.4
95.08607	21.1
97.10156	14.8
98.20724	4.9
105.07026	25.7
107.04968	2.9
107.08575	23.1
109.06447	4.5
109.10137	10.3
111.04416	2.7
111.08082	2.9
117.07005	16.2
119.08591	21.3
121.06491	2.7
121.10148	9.3
125.09631	12.1
129.06996	14.0
131.08563	26.3
133.10094	13.1
135.11708	6.4
141.06961	2.4
143.08560	10.7
145.10103	21.4
147.08054	2.1
147.11688	6.1
147.31906	2.7
149.13239	3.1
151.11145	2.5
153.09126	2.6
155.08556	6.5
157.10078	10.7
159.11687	12.6
161.13225	3.0
163.11163	6.6
169.10133	9.9
171.11661	8.9
173.13315	7.7
175.11130	2.6
181.10172	4.0
183.11716	8.1
185.13245	6.4
187.14838	4.2
189.11252	7.2
193.12242	4.4
195.11620	5.7
197.13268	4.7
199.14828	3.7
209.13210	4.3
213.16479	2.5
227.12633	10.3
229.67758	2.9
243.15561	2.2
283.20782	3.3
299.23615	13.2
317.50455	2.4
347.23001	2.3
433.31000	9.2
451.32141	13.0
469.33218	4.6
487.34204	3.3
507.33984	2.6
525.35754	20.4
543.36798	100.0
544.36932	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	543.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.01858	3.7
55.05510	18.7
57.03424	4.3
57.07074	1.6
58.48220	1.1
65.03924	1.3
66.27485	1.1
67.05504	28.9
69.03422	2.2
69.07067	9.2
69.38537	13.1
71.04968	3.6
79.05493	17.4
81.03431	5.8
81.07055	24.1
81.51752	1.3
83.04984	2.7
83.08610	11.4
91.05478	18.7
91.06016	1.6
93.07048	16.5
95.04969	6.5
95.08595	12.3
97.06519	1.5
97.10159	8.6
105.07042	16.0
107.04942	3.5
107.08576	13.0
109.06573	2.7
109.10160	9.2
111.08068	3.0
112.76434	1.1
115.05460	2.0
117.07010	11.2
119.08569	14.0
121.06505	3.7
121.10150	4.4
123.08110	2.5
123.11740	2.7
125.09624	6.4
126.81597	1.4
128.06227	2.7
129.07005	9.8
130.07788	2.0
130.39627	1.3
131.08562	17.7
133.06499	1.8
133.10162	8.7
135.08049	2.0
135.11731	5.0
137.09532	1.4
141.07034	3.5
142.07770	3.2
143.08556	11.4
145.06467	3.1
145.10115	16.3
147.08051	2.1
147.11696	6.9
149.09628	1.7
149.13232	1.8
155.08557	7.1
157.06543	1.7
157.10144	10.3
159.08035	3.4
159.11693	8.1
161.13242	3.6
163.11252	1.4
167.08575	3.0
168.09392	2.1
169.10143	7.7
171.08084	2.8
171.11708	10.2
173.09628	2.4
173.11882	1.4
173.13281	4.3
179.08557	1.5
181.10124	3.8
182.11035	2.0
183.11691	6.7
185.13232	6.1
187.14839	2.8
189.11215	1.9
189.12758	1.7
189.32501	1.2
193.12257	1.7
195.11778	3.6
197.13313	4.9
199.11322	1.4
199.14833	3.6
204.02461	1.4
209.13304	3.1
211.14935	2.7
213.16351	2.5
221.13358	2.4
223.14845	1.2
225.16360	1.5
227.12689	2.5
257.19183	1.5
259.20731	3.1
267.15930	3.8
283.20502	1.4
297.18771	1.4
297.22235	3.0
299.23743	5.5
313.21667	2.3
315.23260	1.4
353.24670	2.0
433.30939	5.8
451.32242	10.8
469.33072	4.0
489.33893	1.2
515.37671	1.6
525.35632	20.4
543.36810	100.0
569.25519	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3678
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03948	1.7
55.01865	3.5
55.05513	21.0
56.24444	1.4
57.03438	3.7
57.07050	1.6
59.05019	1.6
66.92219	1.3
67.05505	29.6
69.03410	1.6
69.07067	11.1
71.04990	2.1
79.05488	23.1
81.03419	8.5
81.07058	24.3
83.04990	3.4
83.08612	10.5
85.06551	1.9
91.05482	21.5
93.07042	18.9
93.62476	1.5
95.04964	7.4
95.08598	13.3
97.06547	2.9
97.10170	10.5
99.08102	1.5
105.07033	21.4
107.04937	3.1
107.08590	13.0
109.06563	1.8
109.10161	7.3
115.05462	1.5
117.07012	14.0
119.05096	1.9
119.08573	13.1
121.06516	3.6
121.10161	6.4
123.08099	2.1
123.11670	2.7
125.09669	4.4
128.06273	2.9
129.06996	10.7
131.08575	16.3
133.06430	1.9
133.10133	14.2
135.08041	1.7
135.11714	4.1
141.07034	3.4
142.07832	2.3
143.08568	11.2
145.10112	15.9
147.07991	2.4
147.11702	6.9
149.06024	1.7
149.09608	3.0
149.13263	2.4
155.08572	7.1
157.10118	10.1
159.08171	2.2
159.11652	8.3
161.13257	2.2
163.11188	1.8
167.08577	3.0
169.10091	7.1
171.08064	2.2
171.11632	10.4
173.09697	2.6
173.11858	1.5
173.13295	5.8
181.10136	5.9
183.11734	5.9
185.09590	3.0
185.13315	3.8
187.11241	2.0
187.14874	3.3
189.11256	3.2
193.10315	2.2
193.12257	2.8
195.11729	3.4
197.13304	4.9
199.11040	1.9
199.14877	4.1
201.12755	2.1
209.13350	4.5
221.13361	1.8
223.14816	2.3
227.12875	3.8
229.71037	1.6
235.14745	1.9
237.06323	1.7
259.20630	5.4
277.21988	2.6
283.20712	2.4
297.22226	2.6
299.23788	5.5
313.21613	1.9
327.23447	2.3
333.24252	2.0
415.29672	2.2
423.32550	2.0
433.31207	7.3
451.31970	12.4
469.33246	5.8
507.35345	2.2
515.37482	2.3
525.35724	20.3
543.36896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.01875	5.0
55.02437	0.9
55.05508	21.9
57.03429	4.2
57.07062	1.8
59.04994	1.0
62.98510	0.9
65.03937	2.1
67.05502	28.0
69.03439	1.4
69.07061	8.6
69.99224	4.8
71.05000	2.0
72.66461	0.9
79.05489	20.7
79.05909	1.7
80.05846	1.0
81.03399	6.7
81.07054	25.0
83.04976	3.2
83.08612	9.2
85.02895	1.4
85.06506	0.9
91.05476	21.1
93.07037	21.8
95.04972	8.0
95.08600	14.1
97.06528	2.9
97.10181	8.2
103.05442	1.2
105.07029	21.4
107.04986	3.1
107.08572	11.6
109.06501	2.1
109.10145	10.6
111.08073	2.7
111.64878	1.0
115.05480	1.4
117.07016	13.5
119.08582	15.3
121.06519	2.0
121.10154	7.2
123.08053	1.7
123.11731	2.7
125.09629	7.6
128.06210	3.9
129.06981	10.6
130.07784	1.5
131.08568	19.9
133.06512	1.3
133.10136	10.6
135.08057	2.2
135.11708	3.6
137.09550	1.3
141.06989	4.1
142.07808	3.4
143.08563	12.7
145.06493	3.2
145.10107	16.6
147.08067	2.3
147.11723	5.7
149.09634	2.6
149.13303	1.2
153.06935	1.2
154.07774	1.3
155.08568	7.1
157.06479	2.0
157.10129	10.5
159.08087	4.2
159.11693	9.1
161.09593	1.8
161.13246	2.7
162.12033	1.0
163.11177	1.6
167.08582	2.5
168.09370	1.7
169.10146	7.4
171.08066	2.0
171.11642	9.2
173.09604	1.9
173.11862	1.5
173.13274	4.4
175.11243	2.4
175.14813	1.2
177.75441	1.0
179.08621	2.3
181.10117	3.3
183.11736	5.4
185.09621	2.2
185.13260	6.4
187.11169	2.0
187.14833	3.4
189.11295	2.3
193.10309	1.7
193.12329	3.4
195.11713	3.5
197.13300	3.4
199.11212	1.9
199.14824	2.9
201.12772	2.4
201.16466	1.5
203.14334	1.7
207.11613	1.1
209.13286	4.5
211.13153	1.4
211.14941	2.5
213.12807	1.5
213.16420	1.6
221.13281	2.2
223.14919	3.0
225.16478	1.9
227.12669	2.2
233.13237	1.2
241.19507	1.7
257.19016	1.2
259.20587	3.9
267.15930	2.4
277.21735	1.2
283.20538	2.7
297.19089	1.4
297.22324	2.6
299.20676	1.6
299.23590	6.4
301.21567	1.6
308.15027	1.1
313.21771	1.7
315.23148	2.0
333.24408	1.4
335.23489	1.5
357.24289	2.0
405.31665	1.3
415.29852	2.2
423.32498	1.7
433.31128	8.5
451.32077	11.4
469.32965	5.2
507.34854	1.6
525.35870	17.0
543.36835	100.0
544.37244	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	543.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
55.01868	3.3
55.05513	17.7
57.03447	4.2
57.07063	2.0
62.65444	0.9
65.03944	2.4
67.05505	37.4
69.07075	10.9
71.04984	3.2
71.19395	1.2
71.19711	1.3
73.02917	1.4
77.03903	1.0
79.05494	45.5
81.03410	3.0
81.07056	35.0
83.04988	2.9
83.08616	9.9
85.06528	0.9
91.05476	22.1
93.03387	1.0
93.07043	59.0
95.04965	11.1
95.08606	45.7
97.02882	4.0
97.06538	3.3
97.10184	1.8
99.04459	3.4
103.05502	1.3
105.06380	1.7
105.07030	18.4
107.04959	9.3
107.07870	1.7
107.08593	33.7
109.06528	2.9
109.10157	9.6
111.08090	1.5
115.05448	1.1
117.07015	12.9
119.08578	14.0
121.06517	6.3
121.10149	20.5
121.11023	1.2
125.06009	2.7
129.07013	1.9
130.07826	2.1
131.08562	7.0
133.10139	8.5
135.08089	1.7
135.11693	44.7
139.07567	2.5
143.08582	2.3
145.10126	27.4
147.11690	2.7
149.13248	4.3
153.12688	1.0
155.08522	1.6
159.11690	3.9
161.13295	2.9
163.11179	54.8
171.11902	0.9
173.13268	3.2
181.12209	14.1
209.11697	1.9
227.12781	100.0
228.13219	2.1
243.21132	2.4
261.22092	6.8
299.23694	1.6
317.24838	2.1
433.31418	1.3
451.31976	2.1
525.35858	1.6
543.36786	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	3.0
57.02280	1.5
59.68278	1.4
64.17370	1.6
70.52821	5.9
85.02904	2.5
98.97586	5.2
116.98626	4.8
119.01880	2.3
127.03902	1.7
128.98666	2.0
134.99643	2.5
146.99655	2.9
161.01146	1.6
177.00754	4.6
189.00740	3.8
189.04448	1.8
197.02902	2.2
201.00711	2.3
219.01784	5.8
232.03377	1.9
237.02820	4.0
240.04758	1.7
243.01781	2.3
245.05186	2.5
261.02850	5.6
279.03961	5.1
321.04935	3.6
357.33664	1.8
363.06717	3.4
371.96661	1.9
381.07748	18.4
402.97528	1.7
467.71323	1.7
482.02179	1.7
499.13446	8.4
543.13208	100.0
544.13531	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	543.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90448	1.1
56.96561	2.5
57.03419	1.9
69.03417	1.3
69.54211	4.6
69.54649	4.6
75.47295	1.4
85.02906	2.0
85.25598	1.1
97.02894	1.9
98.97584	2.6
110.97645	1.5
116.98626	2.5
118.00264	1.4
119.01983	2.0
121.52099	1.2
124.00292	1.4
127.00851	1.8
127.03918	2.5
128.98569	2.6
131.01923	1.4
139.00752	2.8
145.00769	4.8
145.03394	1.6
148.01276	1.6
154.01309	3.7
155.01920	1.8
157.00739	2.0
160.01305	6.3
161.02977	2.8
166.01328	3.3
169.01781	3.1
171.05048	2.1
172.01263	2.6
173.02965	4.0
175.01770	1.8
181.01846	6.3
185.02988	2.8
187.01897	3.2
189.00699	1.7
190.02345	3.9
196.02342	4.9
201.00713	1.3
202.02388	2.5
207.01704	1.3
211.02963	5.9
213.38823	1.3
219.01706	2.5
220.03610	1.3
224.27884	1.2
232.03450	14.0
233.03418	1.1
245.05074	3.6
247.03809	1.7
254.45377	1.3
261.02881	2.1
279.03796	1.8
283.05002	2.8
292.05609	2.9
294.22299	1.3
309.00665	1.5
351.11270	5.0
363.06897	4.9
365.09091	1.2
381.07904	17.7
387.95380	1.2
467.46921	1.4
543.13214	100.0
544.13477	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	543.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59013	1.4
53.03940	2.7
55.01869	4.0
55.05502	22.0
57.03427	6.6
65.03923	3.9
67.05499	35.0
69.03423	2.9
69.07069	14.6
75.30943	1.5
79.05489	28.5
81.03414	6.8
81.07052	32.0
83.04990	4.1
83.08611	11.3
84.87318	1.5
85.06535	1.7
87.84612	1.3
88.33607	1.4
91.05478	26.5
93.07036	24.4
95.04974	8.2
95.08607	16.7
97.06510	3.6
97.10153	10.5
103.03098	1.4
105.07018	21.6
105.07664	2.0
106.58553	1.4
107.05008	3.8
107.08595	16.3
109.06512	4.1
109.10162	10.5
111.08115	2.0
117.07023	12.7
119.08576	15.0
121.06477	2.8
121.10159	7.1
123.08070	2.2
123.11686	1.9
125.09634	9.4
128.06226	3.4
129.07005	11.0
131.08556	21.2
131.09406	2.4
133.10092	12.9
135.08006	3.6
135.11717	4.8
137.09674	2.4
141.07018	4.0
143.08524	11.8
145.06514	3.7
145.10129	14.7
147.08084	3.2
147.11699	5.7
149.09598	2.4
149.13268	3.3
153.06949	1.5
155.08582	8.7
156.09360	1.8
157.10127	12.0
159.08066	3.3
159.11649	12.6
161.09691	2.6
161.13286	2.5
167.08496	1.6
169.10158	7.0
171.08031	2.8
171.11702	9.3
173.09688	3.7
173.11838	2.6
173.13177	7.9
177.12733	1.7
179.14330	1.7
181.10126	3.6
183.11707	8.3
185.09619	3.5
185.13278	6.5
187.11223	4.0
187.14832	2.8
187.21608	1.5
189.11263	5.8
193.10135	1.9
193.12292	2.4
195.11739	4.1
197.13304	3.6
199.14836	4.0
201.12885	1.8
207.11867	2.1
209.13243	2.5
211.14787	3.6
213.16478	1.9
217.15970	1.7
221.13246	2.2
223.14832	1.7
225.16284	1.6
227.12865	5.1
229.69492	1.8
239.18077	2.0
257.19019	1.7
259.20792	3.2
267.15851	3.4
275.20184	4.5
277.18192	1.5
277.21640	2.2
283.20575	2.9
297.22256	2.9
299.23807	7.6
315.23373	1.8
333.24573	2.1
357.24231	2.3
415.29672	3.6
433.31003	7.3
451.32068	14.3
469.33133	9.3
515.37518	3.1
525.35828	19.0
543.36859	100.0
544.36871	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	542.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.6
55.05506	10.0
57.03436	2.3
59.29566	2.6
67.05504	11.0
69.03425	3.3
69.07072	10.1
70.82915	5.4
70.83283	5.2
71.04994	3.0
72.25751	2.4
76.76962	2.2
76.92507	2.3
79.05480	6.5
81.03401	3.7
81.07050	17.0
83.04967	4.0
83.08623	10.4
85.02908	5.6
91.05492	12.2
93.07044	11.1
95.04949	3.9
95.08606	17.4
97.02909	3.1
97.06508	2.7
97.10175	7.9
99.04443	3.8
105.07030	3.2
107.08613	7.2
109.06513	6.1
109.10172	8.2
111.08098	3.1
111.11649	3.1
119.08586	4.3
121.10150	9.7
123.11752	2.8
133.10139	4.8
135.11705	6.8
137.05968	3.7
146.76859	2.7
151.11209	3.2
153.01843	30.3
154.02170	5.1
161.13240	3.1
177.05472	5.5
211.13213	3.8
217.19472	3.2
235.20567	5.3
253.21588	4.5
275.98859	2.5
280.14273	3.6
324.81824	2.9
327.25296	59.9
327.28918	4.3
345.26395	9.3
542.30164	6.9
543.31390	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
64.72236	0.5
69.24704	4.3
69.25127	1.8
79.05486	1.1
91.05431	1.6
93.07042	1.1
97.02922	0.6
97.10185	0.6
97.86376	0.5
98.20760	1.1
100.03445	0.6
103.05458	7.2
107.04919	1.7
117.38141	0.6
117.60902	0.5
119.04934	1.5
119.54498	0.5
120.08098	100.0
121.06492	0.7
121.08450	1.2
131.04907	2.7
136.06116	0.7
137.05983	1.3
147.04405	2.7
149.05971	1.5
153.01839	0.7
166.08632	48.7
167.06995	1.2
179.06947	3.3
191.01085	0.6
303.01590	0.7
456.95224	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08446	1.4
60.29124	1.3
62.23715	1.3
62.82033	1.3
69.03428	1.8
70.06590	1.6
70.90497	3.0
70.90833	2.9
79.05508	2.3
81.07068	3.1
83.08606	1.5
85.02913	2.7
85.06515	1.6
88.19152	1.2
89.01865	1.4
89.11974	1.4
91.05479	4.1
93.07039	2.8
95.04964	1.6
95.08573	2.1
105.07014	4.7
111.20681	1.4
117.07016	1.9
121.06525	3.0
133.06456	5.1
135.08130	1.3
135.74646	1.3
139.07567	2.1
145.06523	2.4
147.08064	3.5
149.05991	3.4
151.07532	3.8
153.01805	7.6
161.05981	24.3
167.57564	1.5
175.07553	5.1
176.08325	72.0
177.05429	4.6
177.09077	3.9
192.07806	4.6
207.10168	100.0
207.85786	1.4
274.89532	1.5
300.06021	1.4
345.07718	1.3
470.10434	1.5
532.70697	1.7
541.58392	1.9
542.30383	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	542.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
63.18542	3.0
67.05520	3.8
69.03419	4.4
69.07061	4.1
70.06577	2.9
70.94048	5.5
73.02916	3.1
79.05495	16.6
81.03416	6.2
81.07041	6.5
83.08590	4.7
85.02892	20.3
91.05466	9.4
93.07047	19.8
95.04958	3.6
95.08592	3.5
97.02908	7.3
99.49747	2.9
105.07061	13.8
107.08557	4.6
109.06517	4.1
109.10170	3.5
110.42070	3.1
111.08083	6.0
117.04316	3.1
117.06917	5.0
118.23692	3.6
119.08601	13.9
121.06499	6.5
123.08135	4.2
123.11702	12.6
127.03902	8.2
127.14503	2.6
131.08548	2.8
133.06494	9.3
137.05933	5.6
139.07529	38.9
145.04947	4.8
145.10109	18.5
147.08037	4.2
147.11668	33.1
153.01828	6.8
156.09319	7.0
171.11671	5.1
174.10434	3.7
185.34485	2.7
189.12750	100.0
207.13837	15.6
257.13992	3.4
265.10675	6.3
281.15079	9.8
283.11761	9.6
287.05573	3.7
301.12845	8.4
474.32953	3.4
542.30151	8.2
543.31720	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	541.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	1.3
51.02366	2.1
53.03946	8.4
55.01869	3.3
55.05260	2.5
55.05507	29.9
57.02979	1.5
57.03423	3.0
57.07055	2.5
59.18114	1.5
59.40047	1.2
65.03935	6.4
66.34193	1.2
67.05500	78.5
69.07068	17.8
70.11154	5.8
71.04963	4.5
73.06567	1.6
77.03918	1.5
79.05489	100.0
81.03428	7.9
81.07052	71.4
83.04986	11.6
83.08637	7.6
85.06550	2.9
86.48098	1.5
91.05475	69.3
93.07039	84.9
95.04970	24.9
95.08597	49.5
97.06539	5.3
97.10168	3.2
103.05461	1.6
105.04556	2.0
105.07031	45.4
107.04959	5.7
107.08590	30.7
109.06512	4.5
109.10148	12.5
111.08044	2.6
115.05459	2.3
116.06301	1.6
117.07010	14.6
119.08574	33.0
121.06500	3.1
121.10135	24.6
123.08080	4.8
123.11728	2.7
128.06181	2.7
129.06987	17.7
131.08554	14.6
133.10121	15.6
135.11687	9.7
137.09589	1.9
141.06992	2.4
143.08545	10.2
145.10101	14.2
147.11674	37.8
149.13222	3.3
155.08559	2.5
157.10117	5.9
158.93332	1.4
159.11700	6.6
161.09607	3.9
161.13235	9.9
163.11252	1.5
163.14941	1.4
169.10118	3.4
171.11681	29.8
173.13322	3.9
174.21550	1.5
175.14783	1.8
183.11700	2.5
185.13281	3.4
187.14836	2.0
189.12711	8.0
194.93327	1.6
197.13286	3.3
207.13795	22.1
225.14891	3.9
243.21228	1.6
261.22250	6.3
281.17386	2.2
299.29944	1.7
312.29544	1.7
449.34262	4.4
467.34985	2.6
541.38849	73.8
541.52417	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	541.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34381	1.1
53.03938	2.7
55.01869	3.2
55.05266	1.8
55.05513	23.8
57.03429	3.1
65.03941	1.4
67.05506	28.5
69.03423	1.9
69.07060	10.9
71.04990	1.8
72.06239	1.3
72.36836	0.9
79.05492	22.2
81.03426	8.1
81.07057	20.8
83.04966	5.2
83.08611	13.0
85.06529	1.9
86.09702	1.9
86.71060	1.3
91.05482	20.0
93.07040	15.0
95.04961	8.9
95.08604	11.9
97.06522	3.0
97.10173	13.0
103.05510	1.6
105.07040	15.7
107.04942	4.2
107.08601	11.6
109.06535	2.3
109.10165	7.1
111.08063	2.6
115.05473	1.9
117.07027	10.0
119.08588	10.3
121.06505	2.7
121.10152	4.1
123.08025	2.2
123.11747	1.3
125.09617	11.3
128.06227	3.7
129.07008	12.5
131.08569	14.6
133.10146	9.0
135.08081	2.9
135.11722	2.0
141.07016	4.2
142.07814	3.0
143.08545	12.0
145.06480	3.3
145.10107	11.8
146.98166	1.6
147.08052	1.4
147.11699	4.6
149.09669	1.6
153.09065	1.3
155.08565	9.8
156.09404	2.0
157.10133	11.0
159.08086	3.0
159.11662	7.1
161.09598	1.3
161.13252	2.3
163.11186	2.8
165.07021	1.9
167.08530	5.2
169.10129	10.9
171.08054	4.2
171.11670	10.0
173.09612	1.3
173.13289	3.4
175.11208	1.9
179.08560	2.6
181.10117	4.8
183.08038	2.3
183.11708	8.8
185.09656	3.0
185.13258	8.3
187.11192	2.3
187.14864	1.7
189.11224	8.4
193.10156	1.7
193.12312	1.6
195.11699	6.0
197.09589	1.8
197.13295	5.8
199.11156	1.7
199.14848	3.9
207.11737	2.9
209.13292	5.0
211.11206	2.1
211.14859	2.1
213.12787	1.3
213.16467	1.5
221.13307	3.1
223.14894	2.1
225.16327	2.0
227.12692	8.8
227.14676	1.6
235.14897	1.4
237.16444	1.6
239.18062	1.5
257.19043	1.8
263.18033	2.1
275.17636	1.1
275.20093	5.7
277.19202	1.6
281.19153	1.5
284.20676	1.2
285.18799	1.5
295.20651	2.3
297.18741	1.7
297.22058	10.7
313.21536	2.1
323.20166	1.6
337.21729	1.2
339.23218	1.6
343.22903	1.3
351.23074	1.9
353.25009	1.5
413.28638	2.1
421.30939	3.7
428.12241	1.2
431.29532	8.5
449.30447	14.0
467.31561	7.1
483.25085	2.0
485.32813	4.4
505.33032	1.5
513.35657	2.4
523.34149	14.1
541.35248	100.0
542.35712	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	541.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	7.3
55.01873	10.2
55.05498	22.0
57.03437	8.1
57.07066	10.7
67.05501	49.9
69.03423	36.4
69.07060	37.2
70.06588	7.2
71.04989	16.5
71.57413	12.7
79.05498	45.5
81.03403	19.3
81.07062	94.8
83.04961	12.2
83.08624	11.9
85.02910	25.4
85.06541	100.0
85.07021	11.5
90.33276	6.7
91.05476	22.5
91.47848	6.5
93.07043	62.7
95.04980	16.1
95.08602	74.2
97.02925	10.6
97.06525	18.3
97.64840	5.7
99.04424	10.2
99.08083	15.8
105.07008	31.4
107.04955	18.4
107.08595	43.9
109.02839	17.2
109.06479	7.2
109.10149	60.1
111.04395	8.1
111.08083	21.5
119.08568	25.1
121.06516	8.3
121.10154	30.6
123.08125	7.5
123.11688	47.3
125.09637	61.0
127.03960	14.3
127.11188	6.7
131.04910	14.0
131.08510	9.5
133.10136	12.9
134.49466	7.7
135.11665	24.1
137.05980	68.4
137.09665	7.1
137.13239	12.2
139.11128	26.2
145.10193	7.5
147.11694	21.2
149.09669	9.2
149.13243	17.8
153.01842	73.1
153.12773	11.4
161.05916	10.9
161.13237	11.7
163.07526	17.1
163.14841	13.6
165.09178	6.5
165.12767	12.1
167.07025	21.6
169.12352	9.9
171.13760	50.0
177.09100	14.8
193.08618	9.4
203.17998	7.6
209.15396	20.8
215.14526	6.3
239.20087	18.1
289.25293	24.1
295.26584	10.7
307.26367	33.9
313.27252	8.7
325.27365	18.3
331.21753	7.0
343.28387	16.2
361.29459	9.5
419.89035	6.9
445.79492	6.9
470.13217	7.6
541.22003	14.9
555.03217	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	541.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.8
55.01873	15.6
55.05508	29.9
57.03421	5.5
57.07082	2.8
65.03926	3.4
67.05502	60.8
67.76536	1.9
69.03417	5.0
69.07064	37.9
69.80059	10.7
71.04994	5.5
79.05491	55.0
81.03416	88.7
81.07054	59.1
83.04976	9.8
83.08625	25.7
85.06539	3.9
91.05479	68.4
93.07037	49.7
95.01313	12.9
95.04958	33.7
95.08607	40.7
97.02902	2.3
97.06522	23.7
97.10162	8.3
103.05480	2.4
105.04562	1.9
105.07027	75.8
107.04958	27.4
107.08576	21.1
109.06509	9.9
109.10159	13.8
111.08061	9.4
115.05407	5.1
117.07006	24.9
117.68285	1.6
119.04961	2.0
119.08591	41.0
121.06501	5.5
121.10150	13.5
122.36861	1.8
123.04427	3.4
123.08066	7.0
125.09613	7.3
128.06221	4.5
129.07002	18.5
131.08566	31.8
133.06512	4.6
133.10124	39.3
135.08061	5.3
135.11710	7.4
137.09586	6.0
141.06985	7.8
142.07721	3.2
143.08548	10.2
145.06465	6.5
145.10129	22.9
147.08038	2.9
147.11682	22.7
149.09586	12.8
149.13303	4.9
151.11206	2.6
155.08569	8.8
156.09297	2.1
157.10121	14.8
159.08049	3.5
159.11694	20.7
160.12366	2.2
161.09698	2.2
161.13251	3.9
163.11169	5.5
165.12715	2.4
169.10095	9.3
171.07991	3.5
171.11731	7.4
173.09656	2.5
173.13226	6.8
175.11221	7.1
177.12798	7.2
179.14288	14.6
181.10185	2.4
183.11708	8.4
185.13307	6.9
187.11223	4.7
187.14825	2.3
193.12219	20.5
195.11819	2.7
197.13264	6.0
199.11211	3.7
206.10925	2.5
209.13231	2.3
211.14920	3.0
219.17451	6.8
227.12801	2.5
239.17993	2.3
247.20618	2.9
249.14809	3.6
257.19055	11.2
267.15857	4.1
275.20062	85.2
283.20544	2.0
293.21161	5.3
295.20468	2.3
297.22159	4.2
349.23895	3.0
431.29498	5.2
432.03717	2.2
449.30536	8.8
467.31381	5.7
513.36670	2.2
523.34436	6.9
541.35254	100.0
542.35541	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	541.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17668	1.8
51.02388	1.9
53.03946	11.2
55.01876	13.7
55.05511	31.0
57.03432	6.8
57.07068	3.3
65.03954	4.9
67.05505	62.5
69.03436	6.9
69.07072	45.3
69.83933	1.9
69.93822	7.7
69.94233	5.0
71.04992	5.5
71.31312	2.0
75.81699	1.8
79.05496	60.7
81.03419	94.6
81.07055	64.6
83.04984	13.5
83.08618	29.8
85.06564	3.0
89.06019	2.4
91.04896	3.7
91.05480	76.4
91.97037	2.4
93.07041	52.9
95.01324	11.0
95.04965	34.7
95.08606	47.2
97.02870	3.4
97.06530	21.8
97.10149	11.1
99.08103	3.9
103.05459	4.9
105.07030	92.3
107.04956	32.6
107.08595	27.6
109.06519	11.7
109.10158	15.6
111.04475	3.5
111.08115	7.6
115.05485	5.6
117.07024	24.5
119.08580	59.7
121.06525	6.9
121.10159	14.6
123.08070	6.1
123.11717	3.8
125.09643	6.7
128.06212	3.4
129.07010	21.7
131.08565	37.7
133.06520	3.8
133.10124	48.6
133.11064	3.4
135.08058	5.3
135.11705	13.7
137.09630	6.7
141.07013	4.0
142.07820	3.4
143.08580	11.2
145.06586	3.6
145.10121	26.3
147.08087	6.5
147.11688	28.8
149.09668	16.8
149.13272	4.9
151.11349	1.9
155.08607	7.3
157.06474	2.0
157.10123	16.6
159.11671	17.5
161.09602	2.6
161.13284	6.4
163.11186	17.1
165.12810	2.9
167.08665	3.0
169.10158	9.6
171.08110	2.2
171.11703	7.5
173.09734	3.4
173.13216	9.6
175.11234	7.6
177.12793	3.0
179.14326	15.7
181.10062	2.6
183.11743	5.9
185.13283	6.8
187.11240	5.9
187.14859	2.3
189.11224	3.1
193.12248	14.4
195.13951	2.3
197.13300	7.0
199.14932	2.9
199.16898	3.2
205.12244	3.6
213.16467	2.9
223.14935	2.3
227.12740	12.6
229.19702	3.5
241.14369	2.5
241.19849	3.3
247.20554	2.4
257.19012	8.7
259.20544	2.3
275.20065	97.0
293.21173	7.4
297.22079	3.5
302.51538	1.8
349.23889	3.0
431.29480	2.5
449.30786	7.4
467.31689	5.7
523.34558	4.3
541.35364	100.0
542.35736	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	541.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.1
55.01872	0.9
55.05508	1.7
67.05501	17.2
67.05835	1.4
69.03429	2.2
69.07045	0.9
71.04987	0.9
71.58186	0.8
79.05492	16.6
81.03417	5.9
81.07055	100.0
83.04995	0.8
83.08610	0.9
85.02900	1.5
91.05468	4.6
93.07047	2.5
95.04961	1.7
95.08602	2.8
97.02892	3.2
97.06564	1.0
99.04472	0.7
99.08112	0.7
105.07027	1.5
107.04969	1.3
107.08597	1.9
109.02880	10.9
109.06515	91.7
109.10156	2.6
111.04431	1.7
119.08600	2.1
121.06493	0.7
121.10137	1.1
123.08089	1.8
125.05981	2.1
125.09684	0.9
127.03909	9.3
129.07053	0.8
131.08543	0.7
133.10159	0.8
135.11681	2.7
137.05977	93.4
141.08037	1.5
141.09103	24.0
141.10202	1.2
145.10121	1.4
151.07559	1.4
153.01801	1.2
155.07001	1.5
163.11104	1.0
167.07100	1.2
169.08601	27.1
173.09731	0.7
187.09628	10.1
193.15962	1.2
211.16928	1.7
217.08658	1.3
229.10683	2.4
245.08221	1.3
249.11160	1.0
259.09659	1.6
259.12048	0.7
263.09213	2.4
277.10648	1.8
281.10208	1.5
295.11771	5.9
313.12790	15.3
331.13800	3.9
360.10938	0.7
541.29077	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	541.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94233	0.8
51.74486	1.0
53.03942	2.6
55.05512	2.1
62.57967	0.8
67.05503	16.4
69.03417	3.0
69.07066	1.3
69.21809	0.9
71.04977	1.4
71.58114	1.4
79.05063	1.4
79.05489	18.4
81.03407	6.1
81.07051	100.0
83.04984	1.6
85.02898	2.3
85.06522	1.5
91.05476	4.3
93.07046	2.3
95.04950	1.7
95.08633	2.4
97.02892	3.2
97.06506	1.6
105.07025	1.0
107.04919	1.1
107.08588	2.3
109.02892	11.1
109.06512	94.1
109.10149	2.5
110.06841	1.4
111.04433	2.0
119.08617	1.9
121.06586	1.1
121.10161	1.0
123.08038	1.2
125.06002	1.8
127.03908	9.7
131.04912	1.0
133.10132	1.4
135.11662	2.2
137.05969	97.3
138.06319	1.2
141.09090	24.9
141.10199	1.3
145.04971	1.1
145.10075	1.6
147.11671	0.9
149.13243	1.0
153.01851	8.4
154.02142	1.8
167.07069	3.2
169.01352	1.1
169.08594	24.1
169.09975	1.1
175.14825	1.7
187.09636	8.4
209.15265	1.2
227.16533	1.0
229.10704	1.8
245.08102	2.0
255.97215	1.0
263.09171	2.2
277.10422	1.2
295.11615	5.7
313.12766	13.4
331.13785	2.8
334.40518	1.0
388.20370	1.1
541.22211	4.4
541.30322	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	541.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23222	3.5
50.93831	2.9
53.03943	11.6
55.01863	9.0
55.05504	8.4
57.03435	3.6
58.75874	3.9
67.05493	14.3
69.03423	11.0
69.07072	5.9
69.38030	12.8
69.38461	18.9
71.04983	8.2
73.02904	3.1
78.84373	2.9
79.05493	59.0
81.03421	21.0
81.07056	47.5
83.04964	8.7
83.08593	7.1
85.02900	35.1
91.05481	26.6
93.07038	55.4
95.04963	13.4
95.08603	11.2
97.02882	11.8
97.06516	9.5
99.04434	6.6
105.07046	7.4
107.04955	23.5
107.08606	10.8
108.05271	7.1
109.02861	17.2
109.06521	31.7
109.10184	4.3
111.04468	6.0
111.08067	13.1
117.07019	3.6
119.08562	7.3
121.06489	13.8
121.10111	5.7
123.08041	3.8
123.11710	4.3
125.06014	4.6
125.09571	3.8
127.03892	12.8
131.08452	4.9
133.06445	6.3
135.08025	7.6
135.11687	4.1
137.05992	42.4
137.09637	8.3
139.07539	40.6
141.09084	8.9
143.03392	7.6
145.05019	5.7
145.10184	4.0
147.08102	4.5
149.05898	4.4
151.07562	5.5
153.01823	96.6
159.07996	3.5
163.11169	3.7
167.07094	6.1
169.08612	11.4
171.02898	9.4
177.12752	5.0
187.11221	3.7
189.09109	4.2
195.13759	4.1
205.12276	4.3
223.13255	5.6
230.83000	3.6
265.10672	4.9
271.79861	3.7
297.05936	4.5
315.07269	7.6
424.44751	3.2
429.29535	4.8
499.63559	3.5
511.28809	6.8
541.29913	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23222	3.5
50.93831	2.9
53.03943	11.6
55.01863	9.0
55.05504	8.4
57.03435	3.6
58.75874	3.9
67.05493	14.3
69.03423	11.0
69.07072	5.9
69.38030	12.8
69.38461	18.9
71.04983	8.2
73.02904	3.1
78.84373	2.9
79.05493	59.0
81.03421	21.0
81.07056	47.5
83.04964	8.7
83.08593	7.1
85.02900	35.1
91.05481	26.6
93.07038	55.4
95.04963	13.4
95.08603	11.2
97.02882	11.8
97.06516	9.5
99.04434	6.6
105.07046	7.4
107.04955	23.5
107.08606	10.8
108.05271	7.1
109.02861	17.2
109.06521	31.7
109.10184	4.3
111.04468	6.0
111.08067	13.1
117.07019	3.6
119.08562	7.3
121.06489	13.8
121.10111	5.7
123.08041	3.8
123.11710	4.3
125.06014	4.6
125.09571	3.8
127.03892	12.8
131.08452	4.9
133.06445	6.3
135.08025	7.6
135.11687	4.1
137.05992	42.4
137.09637	8.3
139.07539	40.6
141.09084	8.9
143.03392	7.6
145.05019	5.7
145.10184	4.0
147.08102	4.5
149.05898	4.4
151.07562	5.5
153.01823	96.6
159.07996	3.5
163.11169	3.7
167.07094	6.1
169.08612	11.4
171.02898	9.4
177.12752	5.0
187.11221	3.7
189.09109	4.2
195.13759	4.1
205.12276	4.3
223.13255	5.6
230.83000	3.6
265.10672	4.9
271.79861	3.7
297.05936	4.5
315.07269	7.6
424.44751	3.2
429.29535	4.8
499.63559	3.5
511.28809	6.8
541.29913	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59546	9.5
57.66228	9.5
60.33875	9.5
69.03410	15.9
69.07101	9.3
71.57733	10.3
81.03403	21.8
81.07052	12.3
91.05460	10.0
93.07061	16.9
95.04993	11.9
95.08600	12.0
105.07068	14.1
107.04939	12.7
107.08575	21.3
109.02885	13.1
117.06969	11.2
119.08602	13.9
127.03857	10.7
131.08649	11.4
133.10138	41.5
137.06068	13.5
137.09630	40.5
153.01808	100.0
154.02168	15.9
169.01260	11.5
178.42625	11.5
191.14246	16.6
210.15717	19.1
223.06105	13.6
236.22493	14.6
332.31824	12.3
503.01520	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	540.9867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	15.8
57.03427	2.6
69.03428	3.7
70.00966	8.8
74.17678	1.6
77.00904	3.2
81.03415	4.4
85.02888	4.1
86.99307	1.7
93.35486	1.9
96.81995	1.4
97.02869	10.5
97.58932	1.8
98.97576	30.2
101.00364	1.5
101.00901	10.9
105.14836	1.6
109.02844	2.3
113.00840	2.3
115.02469	2.8
116.98613	41.4
116.99447	2.5
119.01922	77.8
126.52748	1.7
127.02435	3.3
127.03895	2.4
128.98627	2.3
131.01903	25.3
133.03482	7.1
134.99651	48.6
137.02950	25.1
138.05508	2.7
138.98883	1.5
142.03526	2.0
143.01881	21.2
145.03450	31.8
146.99669	4.5
147.01385	4.9
147.05003	3.0
149.02968	7.3
153.00706	15.3
155.01871	34.3
157.03473	20.6
161.02948	51.0
163.04543	11.1
165.00726	1.6
167.01845	9.2
169.03456	26.9
171.01419	5.0
171.05055	6.1
173.02959	74.1
175.00883	8.3
175.04527	10.2
177.01045	3.2
177.02419	3.9
179.01958	6.9
179.04042	2.5
181.03513	4.4
183.05035	5.3
184.04504	2.1
185.02951	53.2
187.04523	36.7
189.02498	5.0
189.06169	2.4
190.95663	2.2
191.04005	4.0
193.03600	3.8
196.04582	3.2
197.02940	30.6
197.04552	2.7
199.04485	11.0
199.85774	2.1
201.02451	3.2
203.04010	30.7
205.03566	2.3
205.05656	3.5
207.04994	2.4
208.04639	1.9
209.02925	13.6
210.06017	3.2
211.04491	9.9
213.02475	4.7
215.03981	17.7
217.01961	4.9
217.05573	1.7
219.01897	1.8
221.03064	3.4
221.05043	16.6
223.04492	10.8
225.02441	2.4
225.05940	2.3
227.04030	14.5
229.01924	3.1
229.05615	5.0
232.96422	2.9
233.02968	3.7
239.04034	11.8
239.06223	2.4
245.02550	4.1
245.05066	83.5
250.97647	4.6
251.04022	7.3
256.96228	8.5
257.05072	19.7
258.99854	5.9
259.03049	7.5
259.06659	2.5
261.03116	6.3
263.03510	2.9
263.06107	26.6
268.06659	3.1
269.05112	4.6
271.06693	5.9
273.04529	3.0
274.97516	59.8
275.06015	12.3
276.43283	1.7
277.00864	12.2
277.04114	4.6
281.04910	9.4
284.79312	1.6
287.06155	20.4
291.05734	3.3
292.98547	56.6
297.99170	5.2
299.06140	6.9
305.07196	22.3
314.99805	1.8
316.00052	3.6
316.98825	2.8
317.07187	5.9
319.05197	5.4
329.07004	2.0
335.08371	1.8
347.08203	15.5
361.06253	4.5
365.09283	30.7
379.07288	6.8
388.10959	2.6
398.97760	9.7
401.00745	2.3
407.10318	70.3
416.98712	34.1
421.08261	9.6
425.11444	10.3
434.99951	9.4
440.00589	4.2
451.09299	2.5
481.10376	52.3
523.11340	9.0
540.98816	7.3
541.12457	100.0
559.13580	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39700	1.6
57.03422	2.3
67.05502	1.9
69.03423	2.7
71.05024	1.7
71.40969	1.4
71.58181	2.3
81.07059	3.6
85.02895	8.8
85.06532	2.1
91.05480	11.5
93.07039	1.9
95.04957	3.4
97.02909	1.7
97.06557	2.0
103.05518	1.7
105.06997	3.5
107.04990	1.9
109.02898	1.7
109.06550	1.9
111.04450	1.7
115.74245	1.6
119.04957	9.5
119.08522	1.5
121.06484	4.5
122.03620	3.5
123.04443	1.6
129.07010	6.2
131.04947	2.9
135.08028	2.8
137.05974	45.8
145.04903	1.7
145.06482	2.6
147.04442	2.6
149.05989	6.9
151.03871	2.8
151.07544	62.1
153.01852	3.1
157.06470	4.7
161.05981	5.3
161.09647	1.6
163.07524	12.4
165.09120	3.0
167.08514	7.5
174.06784	4.0
175.07533	3.6
177.09138	2.2
180.70723	1.5
189.09122	21.0
193.06564	1.5
193.10175	3.3
194.07315	1.9
195.08038	12.4
207.10226	4.0
209.09534	1.9
210.06728	2.5
212.08369	2.1
219.10324	1.9
221.06055	4.7
221.09604	5.5
223.07558	5.3
224.08217	2.7
225.09091	5.8
227.10612	17.8
240.07800	1.6
249.09122	3.8
253.08661	6.8
253.12141	8.1
255.10167	18.1
256.15714	1.9
267.10025	1.9
269.07919	2.7
272.10489	3.2
281.11603	2.9
285.11163	14.5
287.12756	32.9
301.14142	2.1
313.14304	37.3
331.15375	100.0
332.15869	3.4
384.99893	1.7
388.91034	1.5
537.59924	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
68.30772	2.4
70.90358	8.7
85.35007	2.6
91.05452	4.4
99.10102	2.7
103.05476	4.6
104.38213	2.7
131.04909	16.6
137.05980	25.4
137.46785	2.6
151.07593	13.9
153.01848	3.7
161.06087	3.0
163.07544	36.7
175.07564	3.8
177.09097	100.0
189.09166	3.3
221.11734	13.8
285.11249	3.6
287.12836	7.9
313.14310	8.5
331.15237	15.7
507.49399	2.8
566.38409	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	540.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	7.5
69.58967	11.4
69.59391	15.1
77.72327	3.5
81.07063	6.2
85.02879	15.0
91.05489	13.5
96.75244	3.5
98.21470	8.2
99.04485	4.8
101.47774	3.6
103.05445	7.9
107.05009	4.0
107.08585	4.5
109.06502	5.6
109.10142	4.9
119.04932	10.7
119.08579	4.3
129.06964	8.9
131.04915	11.5
135.08072	6.0
136.08891	3.7
137.05962	74.6
138.73140	3.8
149.05943	9.1
151.07541	63.3
153.01804	15.0
153.12756	4.0
157.06422	8.4
161.06000	9.5
161.09648	4.4
163.07539	41.0
165.09132	4.6
167.08557	5.6
175.07520	6.6
177.09091	71.4
189.09160	20.8
195.08002	14.5
221.09615	7.0
221.11778	6.2
223.07487	7.4
225.09155	5.7
227.10658	17.1
253.08597	11.5
253.12170	8.1
255.10193	14.6
285.11157	12.7
287.12766	32.6
313.14328	33.7
331.15369	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50476	5.2
55.05498	8.2
56.96574	7.6
57.03426	9.2
67.05494	15.7
69.03433	18.2
69.07067	8.4
69.51793	47.3
70.06586	13.1
71.04990	37.8
79.05508	7.7
81.03416	16.6
81.07061	14.1
83.04967	12.1
85.02904	72.0
85.06551	8.9
91.05431	12.0
93.07055	16.7
95.04958	9.1
95.08589	8.8
97.02883	12.6
98.97592	8.1
105.07028	12.2
107.08570	10.2
109.02888	5.6
109.95765	5.8
119.08568	7.0
121.06531	9.0
121.10083	5.9
127.03874	14.7
129.05527	10.4
129.06943	6.8
131.08510	11.6
137.05977	17.5
147.04440	8.4
153.01825	32.1
157.06529	9.8
159.08073	7.9
163.07504	7.4
163.11166	7.2
167.07091	6.6
177.05362	5.7
181.12201	14.2
181.69756	5.9
189.09094	23.9
199.13152	5.8
201.09065	9.1
213.18390	7.8
219.10141	100.0
237.02855	9.0
242.25900	7.0
303.05051	27.3
323.08212	7.5
325.98682	6.1
334.06064	19.3
341.09024	15.4
345.57516	8.8
377.01758	18.6
395.02652	10.7
412.27899	5.8
469.13913	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	539.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	4.7
55.05515	21.9
57.07070	63.8
57.75294	3.9
67.05180	4.9
67.05500	65.4
69.07035	14.8
71.04992	67.2
71.08628	41.5
75.52460	4.6
79.05466	20.2
81.07047	100.0
83.04950	11.4
83.08603	23.9
85.06538	6.7
85.10181	24.5
89.05978	4.8
91.05473	33.6
93.07045	22.7
95.08608	38.7
97.06539	6.2
97.10146	9.9
98.20752	8.4
105.07003	15.7
107.08569	18.4
109.10139	21.7
121.10149	6.6
123.11710	29.4
133.08601	6.9
133.10080	27.6
135.11659	5.9
149.13211	10.8
151.11128	18.2
151.12247	4.1
155.23300	4.0
159.11685	8.3
159.20746	4.5
171.49367	5.9
177.12694	5.8
183.13792	28.8
193.65413	4.1
195.13872	6.1
229.51233	6.6
239.23633	12.0
269.17438	5.4
285.16913	12.1
339.28986	4.7
341.27292	5.0
495.40704	29.3
495.46927	4.9
539.36707	4.9
539.43188	72.7
557.86945	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	539.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58668	2.8
53.03940	5.0
55.01865	50.6
55.05511	42.3
57.03430	11.2
57.07074	100.0
65.03951	4.0
67.05500	53.0
69.03428	19.2
69.07069	34.6
71.04972	3.7
71.08629	59.2
73.02905	7.5
79.05486	34.0
80.06284	4.2
81.03417	11.8
81.07052	59.2
82.04194	14.8
83.04970	17.5
83.08622	28.3
85.06541	4.0
85.10170	35.4
89.06012	5.2
91.05474	26.3
93.07040	19.4
95.04989	19.4
95.08598	67.6
97.02898	5.5
97.06519	17.6
97.10175	18.3
98.07316	12.7
99.11710	4.6
104.37086	2.7
105.07035	12.9
107.04974	5.6
107.08600	11.1
109.06484	3.8
109.10136	27.0
111.04460	4.3
111.08101	9.1
111.11716	3.0
116.04716	3.6
116.54494	3.0
117.07035	4.5
119.08541	13.6
121.10165	6.4
123.08050	8.4
123.11707	11.2
125.09634	8.1
127.07430	2.5
127.11188	7.6
129.07033	4.9
131.08539	6.4
133.10146	7.8
135.08003	3.6
135.11650	5.0
137.13225	5.0
144.27341	2.7
147.11710	8.0
149.09578	5.5
151.14764	3.9
157.10181	3.9
158.05757	11.1
163.11227	7.6
171.06497	17.6
175.11259	4.9
181.12160	2.9
185.08087	10.9
191.10767	3.3
199.09613	5.6
209.11803	7.7
213.11371	3.2
227.12773	10.3
239.23723	18.3
255.15852	17.1
269.17435	7.2
283.19003	3.2
311.22150	15.0
313.27444	8.1
325.23911	4.4
354.27417	3.9
367.28412	36.7
381.29938	9.7
383.24945	3.0
395.31482	30.8
409.33075	6.8
437.36539	3.2
438.37061	10.9
493.38629	5.5
539.39368	89.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2123
Annotation	Mallophenol B
Peak:m/z	Relative Intensity
55.05498	2.2
57.07064	2.2
67.05506	6.9
69.03424	7.2
69.53387	15.5
70.06597	6.2
76.57742	1.7
78.93288	1.9
79.01851	2.4
79.05495	3.4
81.03412	8.0
81.07040	8.8
85.02896	7.4
85.06537	13.4
87.09229	63.2
88.85992	1.8
91.05476	2.7
93.07030	6.7
95.04946	3.0
95.08607	15.6
97.02885	5.4
98.20762	4.1
99.04463	2.7
99.08073	2.8
100.11243	2.0
105.07037	7.1
107.08605	4.9
109.02880	7.0
109.06548	2.2
109.10136	2.0
119.08578	4.2
121.10116	5.5
123.08054	7.5
123.11695	3.7
125.02309	2.4
125.09675	2.2
127.03909	7.9
133.10103	4.9
137.02386	3.1
137.05939	4.0
137.09540	2.4
143.03395	5.2
145.06544	1.7
149.09645	6.9
151.07562	3.6
153.01825	100.0
153.02777	3.8
161.13258	2.0
167.85849	2.0
169.12114	1.9
171.02887	9.0
177.98018	1.8
188.48682	2.3
189.12776	3.5
207.13809	15.9
228.05066	3.9
297.06070	5.0
301.51468	1.7
315.07077	11.6
323.25821	2.1
336.25330	2.0
389.11823	2.7
453.34186	2.2
539.19910	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	537.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04657	4.1
55.05506	18.8
55.86736	4.2
57.03438	7.4
57.07076	47.0
67.05505	45.7
69.07058	18.2
71.04993	5.0
71.08634	44.2
71.58463	4.6
79.05495	22.2
81.03413	49.6
81.07056	48.2
82.84067	3.8
83.04976	12.5
83.08616	35.7
85.02910	25.9
85.10171	21.5
91.05454	29.2
93.07053	15.9
95.04979	19.8
95.08617	41.5
97.10166	12.8
99.08093	4.1
101.41415	4.4
105.07022	17.4
107.08622	6.5
107.10285	4.1
109.06569	4.8
109.10168	15.3
111.08077	7.3
111.11742	6.3
119.08605	19.4
121.10134	10.0
123.11703	7.5
129.07047	5.1
131.08537	9.2
133.06465	4.2
133.10123	8.0
147.11632	6.4
149.09624	8.1
157.10161	11.1
175.11188	10.7
193.12242	59.3
210.98552	4.2
211.13310	58.4
267.16058	5.0
327.28931	4.6
329.03839	3.9
444.23856	4.4
537.41705	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.01863	1.4
57.03432	2.3
61.02906	5.2
69.03430	12.6
69.48825	2.2
69.49229	9.4
70.09904	1.2
71.04964	1.5
73.02899	2.5
79.05478	3.9
81.03413	7.3
85.02904	39.5
87.04467	1.6
91.05457	8.6
91.22186	1.2
97.02889	13.3
98.20741	1.4
99.04441	1.8
107.04935	12.1
109.02853	4.7
115.03873	1.3
119.04938	28.3
121.06499	6.0
127.03908	9.2
131.04933	3.3
135.04414	17.8
137.05971	27.0
141.06941	1.5
143.04941	2.1
145.04976	11.4
147.04405	58.2
149.05992	12.9
151.07567	5.8
153.01834	2.3
161.05963	1.4
163.06091	2.3
163.07527	4.8
167.07028	46.2
175.07530	2.5
177.05444	4.0
179.07025	100.0
183.04453	1.6
191.07059	3.5
197.08121	3.9
203.07045	1.9
215.07063	3.6
229.08525	1.6
233.08023	1.5
275.09125	2.2
275.68677	1.5
293.10159	3.5
311.11258	12.5
323.00351	1.2
323.11206	2.4
341.12326	1.7
454.96661	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3031
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
54.84561	0.5
55.05505	0.9
65.71610	0.6
67.05500	1.6
69.48679	1.9
69.49105	3.0
70.44556	0.6
79.05488	0.8
81.07021	1.1
86.03316	0.5
95.08609	1.2
98.21533	0.6
100.23863	0.6
105.07008	0.8
107.08611	0.7
109.10175	1.1
114.43448	0.5
119.08572	0.8
121.10129	0.9
127.86110	0.6
133.10066	0.8
174.13428	0.5
212.56958	0.6
301.20306	0.7
337.21991	0.6
537.30341	100.0
538.30469	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	537.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	31.2
57.03429	13.6
57.07070	58.2
67.05498	77.8
69.07060	32.4
69.38789	13.7
69.39202	55.1
71.05000	10.0
71.08630	36.5
79.01536	5.8
79.05482	93.3
81.03394	8.5
81.07066	75.3
83.04988	17.1
83.08609	20.7
85.10184	16.5
87.96356	6.4
91.05467	72.4
93.07034	81.6
95.04951	25.2
95.08599	51.2
98.20766	11.4
105.07013	53.6
107.08520	13.3
109.06516	8.1
109.10169	15.9
110.07350	6.6
111.11557	6.7
117.07063	12.0
119.08575	24.9
119.52362	6.1
121.46877	6.6
129.07004	22.3
133.10133	10.4
143.08528	12.8
145.10109	12.2
145.59172	6.8
147.11662	47.8
149.01613	6.7
151.20508	6.6
161.13289	7.3
168.43571	7.0
171.11749	37.9
189.12820	12.9
194.02254	6.4
207.13695	33.6
226.28041	8.0
281.17429	63.5
313.27267	76.1
386.13968	8.4
386.90598	7.3
517.69318	7.9
519.40460	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.4
54.25646	2.4
55.01880	2.9
55.05506	3.2
57.03429	4.8
65.03930	3.3
67.05500	23.9
69.03400	7.3
69.07062	7.2
70.48520	6.4
70.48888	5.9
73.02885	2.8
75.28506	2.5
77.61286	2.5
79.01807	2.4
79.05487	23.0
81.03407	12.0
81.07058	98.0
83.04964	4.5
85.02895	9.5
85.06534	3.3
91.05462	16.3
93.07031	11.3
95.04968	12.6
95.08587	8.6
97.02887	5.8
101.06992	2.6
103.05436	6.9
105.07019	11.4
107.04957	6.0
107.08569	8.6
109.02872	11.0
109.05797	5.2
109.06518	84.8
109.10175	5.6
111.08103	3.6
117.06999	4.0
119.08553	15.2
121.06499	3.6
121.10154	8.6
123.04463	2.6
123.08054	4.4
123.11674	3.9
125.05995	3.6
125.09660	4.6
127.03914	19.5
129.06990	5.7
131.04918	11.6
131.08572	6.2
133.06447	6.6
133.10103	7.2
135.08057	5.2
135.11615	3.5
137.05975	100.0
137.09595	6.5
139.07593	3.4
139.11226	3.4
141.09079	22.6
143.08481	3.4
145.06406	3.2
145.10124	13.4
147.07990	3.5
147.11691	14.7
149.05965	2.8
149.09666	4.1
151.03922	4.1
151.07527	4.3
153.01833	33.9
155.08423	2.6
156.09367	2.8
159.07988	4.5
161.05910	7.2
161.09546	3.7
163.07597	4.8
167.07031	11.7
169.08632	22.6
171.11630	4.5
173.09532	2.7
175.11192	4.0
177.05450	5.6
177.09055	4.2
181.04924	2.8
187.09735	5.0
189.09109	6.9
189.12735	26.9
221.15297	3.4
223.16960	16.9
263.09308	2.8
295.11853	5.1
297.11560	3.5
299.06049	3.8
313.13031	13.4
331.13928	5.3
457.83044	3.0
537.23138	25.0
537.32172	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	537.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58679	0.6
52.69909	0.6
53.03947	1.7
55.01857	1.7
55.05502	1.3
67.05492	2.2
69.03432	3.5
73.02910	0.7
79.01840	3.9
79.05493	7.2
81.03407	7.7
81.07063	3.2
83.04970	2.0
83.08607	0.8
84.20567	0.6
85.02912	3.3
85.06529	1.2
91.05478	6.3
93.07038	8.4
95.04971	5.1
95.08591	1.7
97.02888	4.5
97.06517	2.0
98.21635	0.8
99.04456	1.3
103.05482	0.9
105.07031	3.4
107.01310	1.9
107.04972	1.3
107.08598	2.3
109.02897	4.4
109.06509	1.3
109.10164	1.0
111.04391	0.9
111.08061	1.8
111.11765	0.6
115.05461	1.1
117.07008	1.8
118.03123	0.6
119.08566	1.3
121.06460	3.3
121.10153	0.9
123.08047	1.3
123.67975	0.7
125.02324	3.5
125.05992	0.8
127.03915	6.6
129.06953	0.6
131.04944	1.4
131.08572	1.6
133.06464	0.6
133.10126	2.8
135.04401	1.2
135.08043	1.2
135.11697	0.6
137.05963	2.8
137.09619	2.4
139.03824	0.7
139.07529	4.1
143.03400	7.7
145.04982	0.6
145.06503	3.6
145.10138	1.8
147.08047	1.1
151.03871	0.9
151.07455	0.8
151.11176	2.1
152.25769	0.6
153.01826	100.0
159.11696	0.9
161.05943	0.8
163.07542	1.5
164.02705	0.6
165.12755	0.7
167.07109	0.8
171.02899	6.1
173.05980	5.0
173.13274	0.7
175.07536	1.4
177.05484	1.1
179.03442	2.9
180.93858	0.6
181.01323	2.6
191.06956	1.7
191.14241	0.8
193.08632	2.0
199.07552	0.7
201.05426	1.8
205.12286	1.0
209.15364	1.5
219.06482	9.1
227.06934	0.7
229.56219	1.0
237.07524	4.0
249.07791	0.6
258.68146	0.6
273.07602	2.0
291.08557	0.7
297.05984	4.4
301.05902	0.6
315.07092	4.2
316.07208	0.6
381.11768	1.8
537.25238	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65186	2.2
53.03951	4.9
55.01862	2.6
55.05512	51.1
57.03439	15.0
57.07081	13.3
65.03953	2.4
67.05506	70.0
69.03418	4.0
69.07069	60.3
69.88226	11.2
69.88643	4.6
71.04990	7.1
71.08613	4.0
77.10519	2.4
79.05492	43.4
81.02929	3.0
81.03413	67.3
81.07056	72.3
83.04986	10.9
83.08619	58.2
85.02908	33.3
85.06550	3.8
85.10205	3.6
91.05476	35.7
93.07045	37.8
95.04972	35.6
95.08614	47.7
97.02901	6.1
97.06544	9.0
97.10165	22.8
105.04450	2.7
105.07034	21.6
106.14854	2.3
107.04953	7.4
107.08593	22.0
109.06553	6.4
109.10147	24.9
111.08053	12.2
111.11729	6.8
113.06018	4.1
119.08599	21.9
121.10143	31.3
123.08109	4.0
123.11739	8.8
125.09691	3.4
129.07040	10.4
131.08572	13.2
133.10092	11.3
135.11681	19.5
137.13322	4.6
145.10141	2.6
147.08035	3.3
147.11690	16.6
149.09682	6.9
149.13330	4.2
157.10164	11.5
163.14847	3.1
175.11206	16.3
193.12241	58.5
205.94849	2.8
211.13281	64.0
233.22681	5.2
251.23647	13.7
267.15897	6.0
293.20926	3.0
325.27505	6.6
357.79498	2.5
443.35229	3.8
517.39203	5.9
535.40033	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	6.2
55.05511	27.8
57.03448	6.6
57.07077	46.0
65.03931	6.7
65.77371	5.3
67.05508	66.2
69.07081	28.6
71.08629	37.5
79.05489	32.8
81.03429	10.1
81.07058	52.4
82.30280	5.2
83.04967	6.9
83.08613	26.8
85.10191	27.0
91.05496	23.7
93.07053	23.2
94.18570	5.4
95.04983	26.1
95.08617	43.9
97.10185	13.9
98.21510	14.0
105.06999	7.6
107.04955	13.9
107.08588	15.3
109.06500	6.3
109.10159	20.7
111.11798	7.4
117.07007	8.0
121.06512	6.7
121.10130	8.5
133.10130	6.4
135.11665	5.8
137.13237	8.6
157.10039	6.0
159.11691	8.8
187.11220	6.0
205.12210	15.1
223.13280	79.6
239.23778	12.0
254.70856	6.0
279.15982	7.8
313.27573	12.7
535.39978	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22258	1.0
53.03928	2.0
53.92603	1.1
55.05502	3.5
56.66415	1.2
57.02766	1.2
57.07063	3.0
62.10604	1.1
67.05507	8.1
68.44968	1.1
69.03431	2.7
69.07050	4.4
71.04980	1.6
71.25476	2.1
79.05483	5.5
81.01421	1.2
81.02988	1.3
81.03410	5.0
81.07050	11.2
83.04964	1.9
83.08624	1.4
85.02908	2.5
85.06548	14.0
89.03423	1.4
89.03905	5.9
91.05472	4.3
93.07029	6.8
95.04967	3.2
95.08607	11.6
97.02863	1.4
97.06550	2.3
99.04436	1.3
99.08083	1.7
105.07001	3.8
107.04969	3.1
107.08601	7.0
109.02894	2.6
109.06500	3.2
109.10143	14.2
111.37721	1.3
117.03370	7.0
117.07010	1.6
119.08571	5.6
121.06488	2.2
121.10134	5.0
122.34230	1.1
123.08052	3.2
123.11704	3.6
125.09547	1.1
127.07539	1.3
131.04924	1.5
131.08540	2.0
133.02875	1.5
133.10130	4.8
135.04410	16.3
135.08003	1.1
135.11688	11.5
137.05983	9.9
137.09625	3.2
137.13225	2.2
145.02846	12.3
145.06468	1.7
145.10088	1.6
147.11681	1.8
149.06021	1.8
149.13223	2.8
151.03899	1.3
151.11176	1.7
153.01820	1.4
159.11766	1.5
161.05966	1.7
161.09612	1.5
163.03902	100.0
163.14935	1.1
164.04195	1.9
167.07040	4.2
174.91748	1.1
175.07556	2.1
175.14809	3.7
177.05431	4.1
177.12811	1.5
181.04941	4.2
191.14299	1.5
193.15898	4.6
211.16893	8.5
217.38239	1.3
300.19864	1.3
307.08160	3.5
309.11041	1.4
319.26318	7.2
325.09055	5.8
337.27319	8.9
339.12308	1.4
479.95389	1.5
499.36050	3.3
535.19775	2.5
535.28314	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2876
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
55.05501	1.6
57.03429	1.0
67.05502	3.4
69.03419	0.7
69.07057	0.5
70.54362	1.0
70.54694	0.4
71.04955	0.5
75.39616	0.4
79.05494	2.0
81.03424	2.2
81.07065	3.2
83.04964	0.9
83.08612	1.0
85.02892	1.4
91.05463	2.0
93.07027	1.8
95.04963	1.7
95.08600	1.6
97.02908	0.8
97.06513	0.4
105.07036	2.5
107.08601	1.3
109.02940	0.5
109.06522	0.5
109.10159	1.5
117.06946	0.5
119.08610	2.1
121.10134	0.9
123.11718	0.5
129.07022	0.8
131.08562	0.9
133.06491	0.7
133.10147	1.5
135.08078	0.5
135.11679	0.7
137.05928	1.1
145.10130	0.5
147.11740	1.0
149.02364	0.4
149.09618	0.7
153.01822	0.5
157.10060	0.8
158.55827	0.5
163.11209	0.7
167.07040	1.0
175.11124	0.6
184.51820	0.5
193.12238	1.4
249.09084	0.5
251.12527	10.4
265.08606	1.2
279.10086	1.0
280.10947	4.5
285.16962	1.0
307.15143	9.0
324.13525	1.7
337.14285	1.1
355.15500	5.2
369.56418	0.5
535.28766	100.0
536.29169	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	535.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01873	1.7
55.05486	1.2
57.03424	3.5
57.90139	1.0
65.03924	1.2
67.05501	1.8
69.03432	6.0
69.33204	2.5
69.33620	7.0
71.05001	1.6
73.02923	5.4
78.04699	0.9
79.05474	4.3
81.03419	8.4
81.07055	1.6
83.04962	1.1
85.02907	7.9
91.05479	16.5
93.07041	1.8
94.04173	1.6
95.04956	5.4
95.08583	1.5
97.02886	3.0
97.06546	1.4
103.05440	4.0
105.07018	3.3
107.04282	1.6
107.04949	15.6
107.08615	1.0
109.02870	3.3
109.06497	1.3
111.04443	1.1
115.05437	2.4
117.07047	1.3
119.04950	11.9
119.08500	1.0
121.06509	3.5
122.03643	5.3
123.04410	2.2
123.08031	1.1
127.03924	5.7
129.06972	1.5
131.04866	2.6
133.06485	2.0
135.04431	0.9
135.08133	4.7
136.05161	1.3
137.05974	100.0
139.16145	0.8
144.05621	1.3
145.06493	1.3
145.10156	0.9
147.04422	4.4
147.07979	1.6
149.05975	2.3
151.03972	1.9
151.07541	62.7
153.01846	2.3
157.94177	0.9
159.08109	2.2
160.05244	0.8
161.05956	3.5
162.06819	1.2
163.07536	8.8
164.04663	2.1
167.07039	18.6
171.04285	0.9
171.08128	0.9
173.05914	1.0
175.07510	3.1
177.05449	1.8
177.09157	1.2
179.07031	51.1
181.08591	26.3
187.07542	1.8
191.07036	1.4
193.08589	4.0
195.10162	5.3
203.07057	1.7
205.08681	2.2
207.08366	1.2
207.10278	2.7
211.09590	1.2
213.11189	3.3
215.07109	1.3
217.08519	1.4
219.10228	1.4
223.09668	2.7
225.11163	1.9
237.11259	1.3
277.08545	1.1
281.11453	0.9
287.05432	1.6
303.04907	2.7
315.67822	1.0
361.02420	2.4
379.02979	1.4
535.18164	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00453	0.9
51.73387	1.1
53.03934	2.0
65.03933	1.7
65.61514	0.9
69.03429	7.0
69.47393	7.7
69.47793	1.4
71.04982	1.2
71.49846	0.9
78.04704	1.0
79.05483	3.6
81.03420	8.4
81.07094	1.1
83.04999	1.1
85.02907	5.9
91.05478	15.8
93.07025	3.1
94.04208	2.1
95.04964	3.0
96.21735	1.0
97.02916	1.6
103.05462	3.9
105.07011	3.8
107.04286	1.5
107.04958	16.1
109.02880	4.1
115.05453	2.1
117.07008	1.7
119.04951	10.5
119.08623	1.2
120.05759	1.3
121.06499	2.9
122.03655	4.5
123.04402	1.4
123.08070	0.9
127.03902	6.3
129.07013	1.4
131.03381	2.3
131.04939	1.7
133.06422	1.9
135.08063	4.7
136.05173	1.7
137.05974	100.0
145.06447	1.5
147.04436	4.7
148.62698	1.1
149.05972	1.5
151.03979	1.4
151.07539	69.4
160.84311	0.9
161.05984	3.9
161.36629	1.0
163.07532	11.1
164.04723	2.2
166.06235	2.1
167.07053	17.0
175.07616	1.9
177.05511	2.1
177.09113	1.7
179.07036	62.0
181.08603	29.9
181.10196	1.3
187.07500	1.4
191.07008	2.3
193.08649	2.4
195.06503	1.1
195.10149	7.2
203.07014	1.9
205.08580	1.5
207.10181	4.2
209.11726	1.3
213.11198	3.8
217.08687	1.0
219.10121	1.0
223.09711	3.1
225.11241	1.7
337.64890	1.0
474.44321	1.1
479.14102	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78601	2.5
55.05506	11.0
56.05022	2.8
57.03423	3.0
57.07057	3.3
58.06593	2.2
60.08159	18.9
63.52931	2.2
67.05499	26.7
69.07047	8.6
69.32235	19.0
69.32639	5.6
71.07359	7.6
79.05486	9.0
79.19214	2.2
81.07057	33.3
83.08609	8.1
83.79699	2.9
86.09702	51.0
91.05458	8.8
93.07040	9.6
95.08607	26.1
97.10142	3.2
97.57166	2.1
98.20717	3.8
98.98441	4.5
102.77351	2.6
104.10738	92.4
105.06976	5.8
107.08578	8.1
109.10153	9.1
118.14359	2.4
118.44297	2.6
119.08613	4.9
121.10112	6.1
121.47580	2.2
123.11742	2.6
124.99984	23.1
125.09507	2.4
133.10132	7.4
135.11647	5.1
147.11633	5.5
149.13159	2.4
151.14778	3.5
165.10933	2.6
175.14876	2.8
179.17993	3.2
184.07332	100.0
245.22635	7.7
263.23657	17.6
337.27307	13.3
451.07159	2.5
516.34467	7.2
534.35339	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3835
Annotation	Oogoniol 2
Peak:m/z	Relative Intensity
50.51160	2.8
53.03949	4.9
55.01868	4.0
55.05511	37.9
57.03436	11.7
57.07059	5.4
62.21010	2.3
65.03936	4.6
67.05505	100.0
69.07073	26.9
69.19741	2.6
69.49758	18.7
71.04991	10.2
71.08604	4.0
76.70163	2.6
79.05498	54.2
81.03410	14.2
81.06584	5.8
81.07054	99.4
83.04987	8.4
83.08624	17.4
85.06535	4.5
91.05483	43.8
93.07044	70.7
95.04977	7.9
95.08611	62.0
97.06531	7.2
97.10161	14.3
98.20784	5.0
99.08043	2.6
105.07041	41.4
107.04929	4.6
107.08595	45.0
108.08894	3.1
109.06542	5.9
109.10143	47.1
111.08053	4.0
111.11735	3.7
111.41198	2.8
113.84406	2.8
117.07027	13.9
119.08575	43.3
121.10135	24.8
123.11697	16.2
125.09613	7.7
129.06969	7.3
131.08560	24.6
133.10121	31.6
135.08028	3.9
135.11702	43.6
137.13347	4.9
141.06953	2.9
143.08534	4.6
145.10114	24.6
147.11678	20.4
149.13260	11.1
151.11183	6.3
155.08574	3.2
157.10130	9.3
159.11711	19.6
161.13260	12.6
163.11133	5.4
163.14871	3.9
165.12747	3.5
169.10091	5.6
171.11708	7.6
173.11836	4.0
173.13277	11.6
175.14839	5.3
181.12173	5.1
183.11769	4.6
185.13289	8.4
187.14864	9.7
189.11278	3.0
193.12204	4.5
195.11737	4.1
195.13724	3.3
201.16360	4.2
223.14941	3.7
227.12895	3.8
229.14415	5.8
233.18988	4.8
243.15857	4.9
243.21086	4.5
245.22716	3.0
255.15886	16.7
261.22119	26.7
273.22174	6.9
279.23221	4.4
287.23712	9.8
307.22659	4.3
326.47290	2.8
335.25708	13.6
405.31644	5.6
423.32599	15.0
441.33551	11.3
459.34726	15.5
497.36118	4.1
515.37299	69.2
515.45074	2.4
533.38538	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.8
55.05506	0.4
57.03438	0.4
57.07059	0.7
61.20861	0.4
66.17269	0.4
66.32675	0.4
67.05492	0.4
69.03430	0.6
69.07071	0.9
71.25191	0.9
81.03417	0.6
81.07066	0.7
85.02902	1.1
85.06516	0.5
91.05505	0.5
93.07031	0.8
95.08631	0.7
105.06998	0.8
109.02831	0.5
109.06495	0.5
127.03891	0.8
133.10152	0.4
137.06004	0.6
161.06029	0.6
167.07086	1.0
175.07591	0.5
196.42593	0.4
275.07690	0.4
287.05484	2.5
313.16254	2.8
317.08459	1.0
335.09528	3.5
352.56787	0.4
401.21533	0.8
445.20422	24.5
533.25684	100.0
534.25891	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75605	1.0
53.03946	5.2
55.01862	5.2
55.05511	1.6
57.03435	9.1
60.51514	1.0
61.02919	11.0
67.05496	2.8
69.03429	34.4
69.07067	8.4
70.64072	2.3
70.64426	2.0
71.05002	5.4
73.02914	4.1
79.05492	5.0
81.03415	13.3
81.07043	5.5
83.01366	1.5
83.04979	1.7
83.08609	2.3
85.02903	100.0
85.06516	1.2
87.04470	5.9
91.03953	4.4
91.05486	3.2
93.07049	5.4
95.04958	8.2
95.08583	6.0
97.02889	39.7
97.06522	2.6
99.04449	7.1
101.02427	1.2
105.07027	6.2
107.04950	3.0
107.08568	6.8
109.02886	13.6
109.06496	5.6
109.10169	2.6
119.08588	3.8
121.06476	4.3
121.10144	3.0
122.07269	6.1
123.08059	20.4
127.03921	27.0
131.08525	2.4
133.10115	6.4
135.08041	29.5
135.11688	2.9
137.05972	3.1
137.09650	2.0
139.07506	1.3
145.03046	1.7
145.04959	37.5
145.10072	2.0
147.08092	1.7
147.11674	3.2
148.08870	1.3
149.09592	2.5
151.07535	1.2
153.01805	1.8
161.06010	1.3
161.09644	1.5
163.03944	2.2
163.06070	4.9
165.12741	23.7
167.07068	6.5
171.06532	1.8
173.13232	1.3
175.07565	3.2
175.14854	3.2
176.11942	3.5
177.05482	1.9
187.07578	1.6
189.07574	2.3
191.07062	1.1
191.14297	79.5
192.14606	1.2
193.15869	8.5
197.75299	1.0
199.07547	1.4
199.11212	1.6
207.13809	3.0
209.15366	11.7
232.94968	1.1
245.11736	1.5
249.09232	1.3
353.19611	2.3
371.15463	2.2
371.20615	8.7
533.19513	1.2
533.26056	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	533.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54812	1.6
53.03928	5.3
55.05510	3.3
58.97268	1.6
62.36054	1.8
67.05492	6.9
69.03414	10.6
69.07061	4.1
70.06551	2.3
71.04987	3.6
71.58279	2.5
73.02888	2.4
75.96788	1.7
79.05488	7.7
79.69230	2.0
81.03417	7.6
81.07046	11.4
83.05001	4.3
83.08590	2.9
85.02926	12.7
85.06547	2.6
89.03908	5.2
91.05486	10.1
93.07026	5.4
93.96687	1.9
95.04935	4.4
95.08598	6.0
97.02888	5.8
97.06543	3.8
99.04449	4.2
103.05435	2.4
105.07020	10.6
107.04932	8.7
107.08584	10.4
109.02913	9.2
109.06533	4.4
109.10134	7.1
111.08039	2.4
115.05440	2.4
116.88168	2.0
117.03367	7.1
117.07022	3.9
119.08575	5.3
121.06477	3.1
121.10135	7.1
122.47203	1.8
123.08028	3.0
123.11681	2.4
127.03909	7.0
128.06197	2.1
129.07011	2.3
131.04889	2.4
131.08601	3.2
133.06477	2.7
133.10123	22.8
135.04428	15.6
135.08031	7.9
135.11670	4.3
137.05980	6.9
137.09619	12.4
143.08502	2.9
145.02893	9.5
145.04926	2.8
145.10106	3.2
147.08043	4.3
147.11693	2.8
149.09596	2.7
149.13155	2.2
151.07516	2.6
153.01837	5.3
159.11691	2.8
161.05899	3.2
163.03911	100.0
165.12746	2.3
167.07053	16.2
169.10081	2.7
171.11717	2.3
173.13177	2.4
175.07512	6.5
177.05496	4.1
181.04922	3.5
187.07544	3.2
189.09212	2.4
191.14272	15.5
199.07469	2.2
203.14346	2.0
215.10651	3.9
227.10686	4.1
228.07562	2.2
235.13072	2.1
245.11797	2.7
325.09442	4.7
339.12439	2.8
353.13550	3.8
371.14792	5.0
407.97101	2.2
479.98291	2.4
533.19354	2.9
533.32385	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1992
Annotation	Kadsuralignan B
Peak:m/z	Relative Intensity
53.03926	0.8
55.05494	0.7
69.03423	1.6
69.11723	0.7
69.63811	1.9
69.64236	3.3
70.36478	0.6
72.36368	0.6
76.12650	0.6
79.05472	1.0
80.18707	0.7
81.03401	1.1
81.07061	1.4
85.02894	0.9
85.06571	1.0
91.05457	1.1
93.07062	1.2
95.08631	1.4
107.04940	1.1
112.01551	0.8
115.32711	0.7
123.74283	0.7
135.08040	0.8
137.05977	5.4
144.48940	0.8
145.06558	0.9
151.07475	1.0
153.01874	1.7
161.06009	1.3
167.07056	3.3
177.18747	0.8
187.91600	0.8
191.14420	1.1
217.04605	0.7
232.07069	10.7
323.11105	8.1
339.12378	2.6
371.15182	0.9
383.14899	1.0
442.15762	0.8
478.16910	0.9
485.14731	0.9
503.18909	2.2
533.19940	100.0
534.20215	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	532.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70058	7.6
55.05519	38.2
57.03432	14.2
66.26921	7.3
67.05506	100.0
68.05809	11.0
69.07069	16.0
71.03336	22.2
71.05001	12.2
79.05490	71.5
81.07064	97.7
82.07359	8.5
83.08620	16.7
91.05492	46.5
93.07036	68.3
95.08604	57.3
97.10153	12.4
105.07033	65.4
107.08618	49.5
108.08941	11.2
109.10172	31.9
117.06997	15.5
119.08569	33.0
120.08915	9.5
121.10151	37.8
123.11703	14.8
127.65902	7.9
129.06976	8.2
131.08548	25.7
132.08954	16.7
133.10133	24.9
135.11690	39.8
145.10089	26.2
147.11656	14.8
149.13272	25.4
157.10057	10.3
159.11713	25.0
161.13248	15.3
163.14828	12.2
171.11646	10.6
173.13269	14.6
185.13274	10.8
187.14809	12.0
242.19766	12.8
243.21037	22.0
261.22177	58.2
335.25873	9.4
353.27133	14.9
364.06741	8.6
422.31390	15.5
440.32581	19.8
514.36310	38.7
532.37103	40.1
551.72388	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	531.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.0
55.01871	6.4
55.05502	39.3
67.05504	97.2
69.07063	25.5
71.04976	6.8
71.58004	9.6
73.79193	6.1
79.05490	80.2
80.95280	5.5
81.03416	13.3
81.07053	100.0
83.04968	9.1
83.08604	20.9
85.06558	9.6
91.05473	76.2
93.07034	79.3
95.04955	13.6
95.08595	45.6
97.06554	8.5
97.10160	23.3
105.07029	64.2
107.04918	6.4
107.08583	52.9
109.06499	8.0
109.10157	28.5
111.08094	6.8
117.07009	28.5
117.86142	6.3
119.08577	65.7
121.06529	6.3
121.10116	26.1
123.08051	8.6
123.11695	7.4
125.09644	15.6
126.45844	5.2
126.63946	5.3
129.06993	23.3
131.08565	59.0
133.10112	56.7
135.11693	36.5
141.06976	6.6
143.08539	27.0
145.10100	58.6
147.11653	37.1
149.09601	6.6
149.13197	12.4
151.11142	7.2
154.07831	5.7
155.08557	12.8
157.10121	33.8
159.11690	32.5
161.13266	22.3
169.10086	16.5
169.92824	5.6
171.11676	30.7
173.13231	24.9
175.14828	7.6
183.11734	16.0
185.13274	15.1
187.14850	13.3
189.11197	9.5
193.12134	5.3
195.11728	7.7
197.13263	13.7
199.14873	16.8
211.14711	9.4
227.12733	11.0
241.19530	13.8
255.15968	17.7
259.20569	26.3
261.71082	5.7
316.72092	6.4
333.24155	11.7
411.32465	12.3
421.30920	22.6
427.21570	5.8
439.31992	27.1
457.33023	24.4
485.36346	8.4
503.37140	20.8
513.35858	93.0
531.36829	80.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.2
55.01861	6.1
55.05511	24.5
57.03429	8.5
57.07056	4.2
65.03951	5.0
67.05502	100.0
69.03426	3.7
69.07066	24.3
71.05003	9.6
71.08629	2.2
77.03910	2.4
79.05488	68.9
81.03407	8.5
81.07051	93.7
83.04983	11.0
83.08621	12.7
85.02894	4.0
85.06536	8.4
85.10200	2.4
89.25581	1.7
91.04907	3.7
91.05474	69.4
92.38126	1.8
93.07042	63.6
93.07622	4.1
95.04970	16.2
95.08600	42.7
95.09174	3.7
97.06505	5.3
97.10163	6.5
99.04436	3.5
99.08091	2.8
105.00087	4.7
105.04535	2.0
105.07031	61.1
107.04993	2.5
107.08591	59.1
109.06495	9.0
109.10151	86.3
111.08073	4.7
113.06029	4.5
117.07037	12.4
119.08592	20.6
121.10149	23.5
121.10950	3.3
123.08038	2.6
123.11689	15.5
125.09609	5.3
127.07592	4.4
129.07039	2.4
130.07695	1.9
131.08545	17.4
133.10121	99.5
135.08061	2.8
135.11690	19.2
141.06976	2.2
143.08572	5.3
145.10149	13.4
147.11688	12.0
149.13269	9.0
151.11174	46.8
157.10120	3.8
159.11690	11.7
161.09647	3.4
161.13246	5.7
163.14809	5.7
166.76991	1.8
169.10017	2.0
169.12263	12.5
171.11748	3.1
173.13255	7.9
175.11189	4.0
175.14784	3.8
179.10603	2.0
183.11699	3.4
185.13222	3.7
187.14847	3.6
193.12285	5.6
211.13266	2.2
215.12758	5.3
224.11636	1.8
227.12939	2.5
233.22807	2.2
240.36089	1.9
243.21089	6.3
253.14342	95.2
255.15950	2.0
259.20261	2.1
261.22150	19.4
271.15393	3.2
285.22131	2.0
287.23715	2.3
298.79730	2.4
303.66058	2.2
317.24741	3.3
341.48828	2.3
411.32483	2.4
421.30737	4.6
439.32071	7.8
457.33267	7.5
513.35956	20.1
518.20721	2.0
531.36841	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	531.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.5
53.72634	1.3
54.53187	1.5
54.60258	1.3
55.01859	7.7
55.05507	22.6
55.99955	1.5
57.03423	7.5
57.07053	3.9
65.03934	3.2
66.08556	1.4
67.05498	100.0
68.05840	1.6
69.03413	5.0
69.06723	1.9
69.07061	23.2
70.35427	5.7
71.04983	8.5
71.08612	2.4
72.22565	1.3
73.02897	1.6
78.22601	1.3
79.05485	56.5
81.03404	3.4
81.07050	85.7
83.04978	8.6
83.08608	8.7
85.06516	7.1
87.04453	2.3
89.63049	1.2
91.04897	2.3
91.05476	58.9
93.07036	60.6
94.07454	1.8
95.04963	12.7
95.08601	36.2
97.06493	4.3
97.10137	2.9
99.04443	2.3
99.08062	2.0
105.00066	6.3
105.07021	56.4
106.50057	1.5
106.88352	1.5
107.04944	2.2
107.08583	56.9
109.06499	9.1
109.10146	76.1
111.08053	1.9
113.05981	4.5
117.06990	8.4
118.25072	1.4
119.08568	12.1
121.10139	22.2
123.08047	1.6
123.11686	12.5
127.07487	3.0
129.07047	2.6
131.08539	13.8
133.10120	88.7
135.11670	17.4
141.71942	1.4
142.45898	1.6
145.10127	8.2
147.11674	6.7
149.13237	7.8
151.11172	48.8
159.11632	6.6
161.09540	2.1
161.13223	5.3
163.14752	3.1
169.12202	10.2
173.13257	5.9
175.14815	1.8
179.14307	1.8
187.14758	2.7
199.14798	1.4
215.12775	4.1
217.14288	1.5
243.21016	3.9
253.14339	73.3
255.15556	1.3
261.22116	19.0
261.28983	1.3
271.15359	3.4
317.24734	4.8
439.31815	5.2
457.33179	5.2
513.35907	7.9
531.36707	51.3
532.36914	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.0
55.01868	5.0
55.05509	32.4
57.03429	13.0
57.07069	3.0
65.03930	4.0
67.05501	70.1
69.03425	4.9
69.07066	19.9
70.37895	1.1
71.04987	7.8
71.08608	2.1
71.57936	1.2
76.17614	1.0
79.05490	82.8
81.03418	49.8
81.07054	84.6
83.04981	10.5
83.08620	30.6
85.02904	27.6
85.06547	2.9
91.05476	69.9
93.07039	70.0
93.98647	1.0
94.11813	1.2
95.04964	31.3
95.08603	40.6
97.02882	2.4
97.06537	5.8
97.10161	10.3
99.08083	2.1
103.05447	2.3
105.00086	4.3
105.04540	2.4
105.07027	48.6
107.04958	4.5
107.08589	49.3
109.06501	6.7
109.10155	24.2
111.04456	2.4
111.08069	13.5
113.05984	3.1
115.05414	1.4
117.07001	11.7
119.08578	37.0
121.06501	3.3
121.09312	2.0
121.10143	28.3
122.73425	1.0
123.08068	4.3
123.11697	5.7
125.09612	5.8
128.06236	2.0
129.06979	12.0
130.07782	1.1
131.08563	24.4
133.06499	3.2
133.10129	27.0
134.52888	1.1
135.08025	2.7
135.11684	13.3
137.09642	3.5
137.13261	2.1
139.11180	1.4
141.06989	1.6
142.07758	2.5
142.23160	1.0
143.08569	5.2
145.10120	18.6
147.08041	3.7
147.11697	21.9
149.09619	7.0
149.13251	6.3
151.11186	3.7
155.08571	2.4
157.10135	14.7
159.11694	9.8
160.98930	1.1
161.09639	1.8
161.13269	5.0
163.11177	2.9
163.14842	1.7
165.12804	3.0
169.10187	3.7
169.12193	1.3
171.11691	4.8
173.11946	1.5
173.13210	6.2
175.11198	14.3
175.14911	2.0
183.11700	3.8
185.13297	3.2
187.14859	2.6
189.11221	3.4
193.12234	58.5
195.11751	2.0
195.13739	1.3
197.13303	1.4
199.14789	1.6
211.13280	50.8
227.12886	3.8
229.19498	2.3
247.20607	7.2
253.14342	4.1
261.22269	1.4
267.16003	6.6
271.20505	3.4
272.47455	1.1
285.22223	1.6
287.23697	4.6
321.24185	4.7
327.23535	1.2
403.30161	2.8
421.31122	5.0
439.31802	6.2
449.75754	1.1
457.33179	4.3
495.35016	1.8
513.35779	22.0
531.36835	100.0
532.36786	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	531.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74335	4.9
50.83920	5.1
53.03929	8.4
55.01866	9.4
55.05509	42.3
57.03429	12.7
67.05502	83.3
69.03427	7.8
69.07065	28.8
71.04994	12.6
79.05495	78.2
81.03415	43.6
81.07053	100.0
82.07383	5.0
82.52114	4.5
83.04982	11.4
83.08614	21.6
85.02901	21.9
85.06551	8.9
91.05481	74.6
92.59149	4.4
93.07047	81.2
95.04956	38.2
95.08604	61.1
97.06511	7.4
97.10146	12.9
99.08134	5.7
105.07027	65.0
107.04950	12.4
107.08591	63.3
109.06522	10.1
109.10117	24.7
111.08054	11.3
117.06993	16.0
119.08591	53.5
121.06539	5.9
121.10158	38.5
125.09603	8.9
129.07031	12.2
131.08577	35.9
133.10078	29.2
135.08055	8.8
135.11688	19.0
135.85414	5.1
137.09634	6.4
143.08539	10.8
145.10127	26.4
147.11710	22.7
149.09666	9.6
149.13229	8.9
153.01773	5.8
157.10112	15.8
159.11682	13.0
161.13255	7.8
163.11102	6.1
169.10155	7.9
171.11816	7.0
173.13341	7.1
175.11168	10.8
183.11650	5.4
189.11168	9.0
193.12276	44.8
211.13231	36.1
220.83113	5.3
247.20448	6.5
263.12613	5.4
287.23773	5.8
289.18570	5.6
421.31284	7.2
439.32004	7.0
457.32999	6.5
493.58511	6.3
513.35553	22.0
531.30731	10.4
531.36993	88.7
538.16162	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	531.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50935	2.4
53.03954	5.6
55.01874	11.0
55.02132	3.3
55.05506	34.1
57.03426	7.3
57.07072	18.2
65.03937	4.0
67.05504	100.0
68.88746	2.8
69.03432	3.4
69.07064	37.2
71.04991	5.9
71.08624	7.3
71.57060	2.5
73.02934	7.2
77.00645	3.2
79.05493	62.3
81.03426	23.0
81.07053	88.9
82.07393	4.8
83.04979	12.5
83.08623	16.5
85.06528	8.7
85.10174	4.2
87.04451	2.7
91.05477	66.9
93.07044	65.9
95.04967	19.0
95.08600	43.3
97.06512	5.5
97.10190	7.1
99.08127	3.6
105.00076	27.5
105.07032	62.1
107.04958	4.4
107.08595	58.7
109.06538	6.6
109.10152	86.9
111.08071	5.5
117.07018	11.1
119.08573	21.3
121.10144	24.1
123.08080	2.6
123.11694	11.1
129.07065	3.0
131.08600	16.8
133.10129	81.1
133.90820	2.6
135.11702	13.4
143.08568	3.9
145.10124	11.0
147.08047	4.0
147.11688	12.3
149.13286	7.2
151.11171	46.3
151.14865	2.6
153.12740	3.4
157.10127	4.5
159.11728	7.4
161.09599	3.5
161.13254	5.9
163.14861	3.9
169.12233	10.4
173.13286	5.2
175.11104	4.3
179.10583	3.4
187.14795	3.3
193.12239	13.2
203.28584	2.5
204.54317	3.0
215.12706	4.2
243.21030	4.5
253.14348	85.3
261.22049	23.7
271.15509	3.6
421.31317	3.0
439.32056	6.4
457.33261	5.6
513.35742	17.3
531.37909	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.4
55.05508	1.0
58.12179	0.3
64.38839	0.3
67.05511	0.8
69.03431	0.9
69.07059	1.0
70.98072	1.1
72.08126	0.4
73.02908	0.6
79.05495	0.9
81.03413	1.2
81.07049	1.2
83.04976	0.6
85.02908	0.8
91.05459	0.7
93.07053	1.1
95.04993	0.6
95.08582	0.6
97.02861	0.5
105.07024	1.0
107.08591	0.9
109.02848	0.9
109.10148	0.5
115.03942	0.4
116.10746	0.5
117.07051	0.5
121.10100	0.5
133.10085	0.6
137.06004	0.7
145.10022	0.5
147.08067	0.4
242.21898	0.4
254.17940	0.4
285.57715	0.4
289.14127	0.6
342.52933	0.4
399.10834	0.4
483.32687	0.4
531.26031	7.6
531.34979	100.0
532.26770	0.7
532.35315	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	531.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.1
55.01861	7.1
55.05514	31.9
57.03421	14.5
57.07070	5.0
57.49612	3.7
58.48557	3.9
58.49235	3.8
65.03923	7.0
67.05503	79.6
69.07070	23.3
69.31934	43.6
71.04976	14.4
79.05493	79.7
81.03418	49.4
81.07047	96.9
83.04966	11.7
83.08613	24.8
85.02904	23.9
85.06548	6.9
89.78429	4.3
91.05480	68.6
93.07041	75.7
95.04969	31.4
95.08597	58.5
97.06530	9.2
97.10178	13.7
105.07025	60.9
107.04971	8.0
107.08587	44.6
108.02502	4.1
109.06503	10.2
109.10146	27.7
111.08076	11.7
113.06038	4.7
117.07009	21.4
119.08572	43.2
121.10138	29.9
123.11714	11.6
125.09621	9.6
129.06970	17.8
131.08585	32.7
133.10118	34.6
135.11681	16.4
136.91452	3.9
142.07741	4.6
143.08521	7.9
145.10170	19.9
147.08043	5.6
147.11630	19.9
149.09633	7.6
149.13210	6.4
155.08554	7.2
157.10091	16.2
159.11679	19.8
161.13200	7.2
163.67455	4.5
171.11700	10.3
171.13046	4.9
173.13210	10.9
175.11201	17.0
175.14850	5.9
183.11690	4.5
185.13124	5.6
187.14862	4.8
193.12245	45.8
211.13261	36.2
247.20528	12.2
247.74298	4.2
267.15906	8.7
287.23657	9.5
421.31143	9.6
439.32114	11.6
457.33350	7.3
513.35724	33.7
531.29395	11.1
531.36768	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48556	0.8
53.03939	3.1
55.01870	3.9
55.05263	1.6
55.05509	20.5
57.03433	15.0
57.07078	1.0
62.40585	1.0
65.03950	1.5
66.90308	0.9
67.05501	27.5
69.03432	5.5
69.07066	8.6
70.99825	0.9
71.04990	5.6
71.58382	1.6
78.68435	1.0
79.05490	31.1
81.03414	73.9
81.07052	33.7
83.04976	21.7
83.08620	24.5
85.02903	26.7
85.06540	2.9
91.05476	42.1
93.07042	20.3
95.04966	30.2
95.08607	11.7
97.02884	3.7
97.06535	3.8
97.10176	3.3
99.08060	1.8
105.07027	27.0
107.04950	7.8
107.08584	8.9
109.06534	5.7
109.10157	3.7
111.04468	2.4
111.08078	12.5
113.06001	3.2
115.05441	1.4
117.07029	3.4
119.08576	24.2
121.06490	3.1
121.10134	10.7
123.08067	3.3
123.11697	2.3
125.09625	2.7
127.07555	1.1
128.06201	1.0
129.07002	14.5
131.08574	15.5
133.06512	3.1
133.10127	13.6
135.11632	1.2
137.06021	1.0
137.09657	2.2
142.07755	3.4
145.10109	2.5
147.08061	2.9
147.11684	19.2
149.09615	6.7
157.10141	15.6
163.11147	1.5
164.43553	0.8
165.12766	3.3
175.11182	15.3
193.12234	70.3
211.13281	100.0
212.13768	1.4
267.15912	24.6
285.16953	75.5
330.11197	1.1
348.57178	0.9
366.25693	1.0
367.22617	1.3
383.66885	1.3
385.23730	1.8
459.27347	6.3
477.28473	8.1
495.29514	24.0
530.33759	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	529.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.2
55.01866	2.3
55.05507	15.6
56.64926	1.3
57.03431	5.0
57.07064	2.2
60.94952	1.2
61.58126	1.2
65.03928	3.3
65.56045	1.1
67.05501	57.4
69.03413	1.8
69.07071	19.0
69.38334	6.9
69.38762	5.1
71.04988	2.3
76.37910	1.2
79.05491	49.7
81.03413	2.5
81.07053	62.5
83.04987	3.1
83.08623	10.6
85.06539	2.3
91.05480	28.3
93.07040	57.3
94.07288	1.4
95.04966	7.5
95.08604	31.9
97.06516	7.3
97.10158	2.0
99.08121	1.6
105.07021	19.9
107.08588	31.2
109.06495	3.2
109.10152	12.4
111.08061	5.1
114.74763	1.2
117.07015	10.0
119.08574	18.3
121.10143	26.9
123.08058	1.4
123.11697	3.6
129.07008	4.1
130.06218	1.3
130.07771	1.7
131.08565	16.8
133.10126	13.2
135.11691	15.0
143.08556	3.8
143.21892	1.3
145.10104	12.3
147.11653	7.3
147.42250	1.4
149.13251	25.5
149.70807	1.5
151.11203	1.4
157.10141	2.8
159.11684	16.4
161.13264	3.9
171.11658	2.8
173.13290	6.6
175.14893	1.6
177.12729	3.5
181.10208	1.4
183.11674	2.3
185.13231	3.6
187.09436	1.4
187.14864	2.3
195.13823	6.7
197.13432	1.6
199.14795	2.7
199.89790	1.3
213.14836	2.1
218.95027	1.4
261.22189	4.7
268.63379	1.4
419.32919	2.4
437.33936	6.5
455.34976	2.8
473.36584	2.8
511.38419	2.7
529.38904	100.0
530.39099	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	529.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.4
55.01853	2.8
55.05507	26.2
57.03439	7.2
57.07072	3.1
59.27467	1.3
61.74093	1.4
65.03932	5.1
65.68201	1.3
67.05502	74.2
69.03414	1.7
69.07064	22.3
71.01527	1.2
71.04977	3.5
79.05488	52.9
81.07050	78.2
83.04974	4.7
83.08614	13.5
85.06525	2.6
86.48196	1.2
91.05477	39.5
93.07040	66.1
95.04969	10.7
95.08602	35.2
96.32135	1.2
97.06551	7.8
97.10132	2.5
99.08098	3.0
105.04523	1.7
105.07031	22.9
107.08595	29.8
109.06597	2.4
109.10157	9.7
111.08093	4.9
115.05458	1.5
117.07000	15.0
119.08562	15.5
121.10133	24.9
123.11720	1.9
129.06999	5.0
131.08578	24.2
133.10101	13.1
135.08011	1.5
135.11700	14.2
138.12952	1.6
139.11206	1.4
143.08569	5.7
145.10124	13.2
146.92709	1.2
147.11678	7.6
149.13266	23.8
155.08537	2.6
157.10141	5.0
159.11679	14.0
161.13281	2.7
163.14816	2.1
169.10133	2.9
171.11690	4.8
173.13272	5.4
175.14906	1.8
177.12755	4.4
185.13271	3.8
187.14876	3.4
195.11707	1.4
195.13794	6.4
199.14842	2.2
201.16393	2.0
243.21060	2.0
256.26349	2.4
261.22131	4.7
286.88608	1.4
294.57715	1.2
294.95706	1.6
297.22153	1.6
419.33313	2.3
437.34219	7.5
455.35175	3.7
473.36591	2.3
511.38330	2.7
529.38867	100.0
530.39081	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	529.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46584	0.4
60.44194	0.3
63.05610	0.3
65.91824	0.3
67.05476	0.9
69.07057	0.5
71.02946	0.6
71.03300	0.6
79.05460	0.9
81.03418	0.6
81.07040	0.6
85.06512	0.4
91.05521	0.5
95.04948	0.4
105.07027	0.7
107.08567	0.8
109.10249	0.5
128.34959	0.4
128.86694	0.4
137.05994	0.6
141.24854	0.4
147.11720	0.5
158.95622	0.4
159.11760	0.4
168.82620	0.4
176.67937	0.3
203.05472	0.4
206.28423	0.3
259.52078	0.4
264.56833	0.4
349.27026	0.6
367.28464	0.6
451.76517	0.4
499.32367	1.4
529.33411	100.0
530.33740	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	529.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.4
55.01865	5.7
55.05496	8.3
57.03426	5.3
61.02422	4.0
65.16780	4.8
67.05500	6.5
69.03413	6.2
69.07059	12.6
69.46326	37.6
70.14485	4.0
73.91809	5.2
79.05472	19.9
81.03412	12.2
81.07051	14.3
83.08638	4.2
85.02905	9.2
91.05472	17.2
93.07040	19.5
95.04955	8.9
95.08609	12.9
97.02905	4.8
105.07031	16.6
107.08575	8.5
109.10074	5.0
111.08042	7.8
119.08567	45.8
121.06477	6.6
127.03896	5.7
133.10133	38.5
135.11726	5.4
137.05997	9.3
137.09610	5.6
139.07516	19.4
145.10115	6.8
151.07526	5.2
153.01822	16.6
175.14821	100.0
177.05528	8.5
181.42967	5.1
193.15674	5.5
225.29663	5.1
367.11728	12.2
369.69449	5.5
431.71240	4.7
529.09589	6.3
529.19482	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	528.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25945	1.7
53.03931	2.7
55.01867	6.5
69.03442	5.2
69.26891	22.1
79.05484	24.5
81.03396	4.9
83.08624	3.5
85.02892	13.2
91.05468	12.4
93.07041	16.3
95.04967	7.0
97.02876	2.3
103.05475	7.6
105.07024	44.4
105.07685	3.2
107.04962	3.3
108.04470	3.3
111.08071	4.5
115.05469	6.0
118.04201	4.7
119.04900	2.7
121.06509	5.4
127.03896	3.4
133.06497	45.6
139.07558	16.2
151.07550	2.6
161.05984	100.0
193.08600	56.6
193.10295	3.6
211.09837	2.4
223.01563	2.2
265.10852	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	528.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33210	1.0
55.01863	3.8
55.05516	7.5
57.03427	5.1
57.07070	12.2
59.04992	3.5
61.02902	2.8
67.05481	1.2
69.03421	8.7
69.07064	59.2
69.36468	11.3
71.01346	2.2
71.04975	5.4
71.08629	9.7
73.02918	8.3
73.06554	10.2
75.26713	1.0
79.05508	1.4
80.51829	1.0
81.03445	1.3
83.08584	2.4
85.02903	17.0
85.10181	3.7
89.06032	32.7
93.41476	1.1
95.04963	1.3
97.02879	11.4
98.21519	2.8
99.04489	1.2
107.99232	1.1
111.11715	85.7
115.03942	4.2
123.11608	1.2
127.03918	2.9
129.12749	100.0
130.13066	2.4
133.04939	6.9
145.04936	6.1
161.86711	1.1
163.05971	1.4
163.51120	1.1
182.94220	1.1
199.16930	20.4
217.17976	23.0
223.06425	1.2
347.44385	1.1
411.47226	1.2
454.62982	1.4
491.20947	1.2
528.31921	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.5
55.01858	13.8
55.05510	43.3
56.96560	5.0
57.03435	32.7
59.04999	10.2
67.05496	44.6
69.03432	6.1
69.07055	13.6
71.04984	10.0
71.57864	4.6
73.02914	3.6
77.03905	5.0
79.05492	54.1
81.03416	83.3
81.07051	63.8
83.01347	10.7
83.04977	34.4
83.08611	40.8
85.02901	32.6
85.06551	7.7
91.05479	60.8
93.07040	47.1
95.04962	40.2
95.08611	19.6
97.02886	6.2
97.06519	14.3
97.10194	6.1
99.08128	4.7
103.86198	4.2
105.07015	36.8
107.04949	13.8
107.08603	27.0
109.06544	13.3
109.10178	7.6
111.04439	4.8
111.08071	10.9
113.06030	4.4
117.07009	13.4
119.08581	31.8
121.06564	7.3
121.10138	15.1
123.08051	15.4
125.09647	4.2
129.07005	18.9
131.08563	15.5
133.10144	19.5
135.11696	15.8
145.10118	20.2
147.08046	10.7
147.11700	23.3
149.09634	11.0
157.10150	12.6
163.11177	40.7
165.12808	5.2
165.14392	3.7
173.09598	8.2
175.02638	4.6
175.11176	14.1
181.12273	7.3
181.99876	3.9
193.12233	48.4
209.11676	9.8
211.13278	91.9
217.48418	3.9
227.12808	6.8
267.15903	14.0
271.41962	3.9
283.15378	100.0
285.16971	60.2
331.67908	3.9
475.26730	9.4
493.27951	70.9
528.33533	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	527.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
55.01876	3.8
55.05516	16.6
57.03442	4.2
57.07062	3.0
67.05177	2.5
67.05504	37.0
69.07075	10.4
71.04995	2.4
71.58601	2.7
79.05489	26.1
80.05847	2.4
81.03414	11.1
81.07052	29.1
83.04986	3.7
83.08625	8.1
84.08062	2.0
85.06579	2.1
91.05486	23.7
93.07050	28.6
95.04955	7.1
95.08606	17.1
97.06493	2.4
97.10184	3.4
105.07026	27.5
107.08581	14.6
109.06554	3.3
109.10171	8.5
111.08051	2.7
117.06995	13.8
119.08569	19.6
121.10123	12.7
123.08047	2.6
125.09644	2.8
128.06219	7.6
129.07010	17.1
131.08565	23.4
133.10150	13.5
135.11656	4.3
141.06985	4.4
142.07794	4.0
143.08527	16.2
145.10124	20.0
147.11691	9.3
149.13289	4.0
154.07739	3.4
155.08563	11.5
157.10135	16.8
159.11691	14.1
161.13289	2.9
163.14757	2.1
169.10118	14.0
171.11667	11.9
173.13226	9.6
179.08604	2.7
181.10133	4.6
183.11714	12.1
185.13216	11.9
187.14795	2.8
193.10211	2.4
193.12196	2.7
195.11710	6.0
197.13271	10.1
199.14857	4.1
207.11751	2.2
209.13290	5.6
211.14847	4.2
213.16338	3.6
221.13286	2.8
223.14717	3.7
225.16365	2.9
235.14816	2.6
251.17963	3.4
296.27640	2.1
309.21942	2.1
311.23947	2.2
315.23431	2.9
323.23782	2.5
337.24835	2.7
339.23120	2.2
353.24500	2.6
417.31509	6.5
435.32559	17.3
453.33694	8.5
471.34769	5.0
473.34412	2.6
509.36127	9.4
513.26361	2.4
527.37268	100.0
528.37671	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	527.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.3
53.03933	3.8
55.01859	3.3
55.05510	21.7
57.03413	3.7
57.07059	1.9
60.25690	1.2
65.03932	3.6
67.05502	42.1
69.03427	3.0
69.06783	1.2
69.07070	12.5
71.04995	2.5
79.05488	30.7
81.03416	28.6
81.07053	33.9
83.04973	4.2
83.08615	14.6
84.42805	1.1
85.06555	2.1
87.04402	1.6
91.05478	28.6
93.06472	1.9
93.07044	27.8
95.04974	11.9
95.08603	19.7
97.02866	1.3
97.06529	3.2
97.10159	10.7
98.21509	3.3
99.08061	1.7
101.49966	1.4
105.07027	22.0
107.04935	2.8
107.08598	17.2
109.06516	2.2
109.10154	14.0
111.08073	3.7
115.05436	2.0
117.07011	12.8
119.08579	18.0
121.06530	1.3
121.10138	13.0
123.08044	1.3
123.11697	2.8
123.32204	1.3
125.09642	5.2
128.06248	3.2
129.06985	11.1
131.08572	22.8
133.10118	11.7
135.08051	2.6
135.11687	9.4
141.07042	2.8
142.07799	5.1
143.08543	12.7
145.10114	15.1
147.08008	1.4
147.11673	7.7
149.09671	1.3
149.13266	5.4
155.08562	9.3
157.10126	15.2
159.11668	8.8
161.13260	4.6
163.14832	2.1
165.12794	1.5
167.08604	2.1
169.10120	9.5
171.11682	9.6
173.11862	1.8
173.13263	6.8
175.11183	3.9
175.14822	3.1
181.10117	3.7
183.11700	6.2
185.13251	8.4
187.14845	4.6
189.11203	6.3
193.12256	14.8
195.11728	3.6
197.13206	5.8
199.14799	3.7
207.11668	1.4
209.13225	3.4
211.14845	2.6
213.12892	1.4
213.16376	1.3
215.17953	1.3
221.13197	2.0
223.14847	3.2
235.14790	1.7
259.17181	1.4
261.22101	4.4
276.13138	1.1
283.20560	1.8
297.22028	1.4
299.20120	1.2
299.23630	2.1
301.25223	3.1
309.22241	1.4
323.23672	1.3
325.25079	1.3
327.23105	1.6
341.24738	2.0
353.24634	1.4
360.45944	1.3
417.31464	4.4
435.32687	15.4
453.33701	14.4
471.34644	8.7
491.35110	2.0
509.36417	5.0
527.37299	100.0
528.37524	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	527.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
55.01855	2.5
55.05263	1.4
55.05511	17.0
57.03429	2.5
57.07068	1.2
65.03951	1.9
67.05505	33.2
69.03418	1.9
69.07066	11.7
71.04980	2.3
79.05494	26.2
81.03415	25.2
81.07054	33.7
83.04976	3.2
83.08619	10.0
85.06542	2.5
91.05478	25.4
93.07046	23.8
95.04977	10.0
95.08607	19.9
97.06508	3.5
97.10155	7.2
99.08112	1.0
105.07035	17.1
107.04982	2.2
107.08592	13.9
109.06510	2.3
109.10150	11.1
111.08073	3.2
115.05453	1.2
117.07014	8.5
119.08577	17.5
119.09371	1.6
121.06577	1.3
121.10136	10.2
123.08098	1.3
123.11740	1.7
125.09639	4.8
128.06216	3.2
129.07004	10.2
131.08571	17.6
133.10135	10.8
135.08041	1.7
135.11742	6.3
139.11191	1.4
141.06982	3.1
142.07797	2.7
143.08562	12.0
145.10152	13.1
147.08110	1.3
147.11673	8.4
148.47644	1.1
149.13237	5.1
154.07796	1.2
155.08554	5.9
156.09328	1.5
157.10124	11.4
159.08199	1.1
159.11708	10.3
161.13281	3.5
165.06970	1.2
167.08580	1.9
169.10120	8.0
171.11649	8.3
173.11795	2.6
173.13306	7.5
175.11188	2.5
175.14868	1.7
181.10115	2.9
183.11749	7.1
185.13295	6.4
187.14883	4.4
189.11259	3.4
193.12263	11.7
195.11743	3.7
197.13240	6.0
199.14799	5.3
201.16463	1.3
207.11748	1.3
209.13300	3.6
211.14864	3.6
213.16476	2.1
223.14777	2.3
225.16391	2.0
235.14787	1.5
237.16400	1.2
259.20587	2.3
261.22153	2.9
269.19092	1.5
283.20633	1.2
285.22296	1.2
299.23816	1.6
301.25204	1.4
309.22003	2.0
315.23190	1.7
323.23868	1.3
327.23410	1.2
339.23380	1.3
341.24661	1.9
355.26276	1.0
367.26807	1.1
391.72058	1.2
417.31625	4.4
435.32639	15.6
448.64963	1.3
453.33591	10.6
471.34637	5.7
509.36115	4.6
527.37335	100.0
528.37469	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.01857	4.2
55.05510	19.2
57.03425	4.6
57.07070	1.6
65.03922	1.8
67.05502	36.5
67.89884	1.3
69.07067	12.6
71.04987	2.1
79.05490	31.8
81.03413	17.9
81.07052	36.7
83.04971	5.5
83.08623	10.6
91.05476	32.6
93.07044	27.8
95.04974	11.4
95.07993	1.7
95.08597	22.1
97.06520	4.2
97.10164	5.9
97.91119	1.4
99.08069	2.4
103.05463	1.3
105.07029	27.0
105.07693	2.3
107.04961	4.2
107.08582	13.3
109.06544	1.7
109.10161	14.5
111.08089	2.5
115.05441	1.8
117.06993	12.5
119.08589	18.6
121.06557	1.6
121.10157	11.4
123.11739	1.9
125.09637	4.4
128.06239	2.8
129.07005	15.7
131.08569	23.1
133.06517	1.6
133.10126	15.3
135.11691	9.6
141.07021	2.5
142.07738	4.3
143.08540	12.4
145.06551	1.6
145.10112	15.0
147.08134	1.5
147.11697	10.6
149.09676	1.7
149.13263	4.0
155.08521	7.6
157.10112	18.3
159.11681	11.7
161.13274	4.0
163.11180	1.8
163.14832	1.5
165.12831	1.5
167.08589	2.0
169.10147	10.4
171.11684	12.1
173.09769	1.3
173.11949	1.6
173.13251	8.3
175.11174	2.6
175.14861	1.6
181.10143	5.3
183.11668	9.0
185.13246	7.3
187.14774	2.2
189.11195	2.6
193.10506	2.2
193.12239	14.4
195.11703	2.8
197.13266	8.4
199.14847	4.2
201.16405	1.5
207.11674	1.7
209.13408	3.3
211.14830	5.1
213.16428	1.9
221.37207	1.7
223.14807	2.6
225.16409	2.0
235.14838	2.4
237.16449	2.2
239.17918	1.8
243.20993	1.6
251.38663	1.4
261.22141	5.3
296.55264	1.3
297.22226	1.8
299.23929	2.0
301.25430	3.1
337.24857	1.8
417.31512	5.1
435.32458	17.6
453.33606	10.3
455.71487	1.7
471.34903	5.4
473.34454	2.5
509.36371	8.5
527.37323	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.9
55.01857	4.8
55.05267	1.5
55.05511	21.9
57.03421	4.4
57.07063	1.5
65.03927	3.7
67.05502	48.1
68.48905	1.3
69.03410	2.6
69.07063	13.8
69.32141	14.5
71.04981	1.3
73.54779	1.1
79.05492	39.2
81.03413	37.8
81.06582	2.8
81.07049	38.2
83.04961	4.5
83.08617	14.3
85.06529	2.0
91.05479	32.3
93.07037	33.4
95.04967	14.3
95.08607	25.0
97.06532	3.2
97.10149	12.9
105.06339	1.2
105.07021	22.3
107.04928	3.2
107.08598	21.0
109.06522	2.2
109.10151	17.0
111.08067	5.1
115.05418	1.5
117.07013	13.8
119.08571	19.2
121.06487	3.1
121.10144	13.9
123.08070	2.0
123.11657	1.9
125.09622	10.8
128.06230	2.1
129.07013	14.3
131.08553	21.6
133.10107	11.7
135.08044	1.6
135.11668	10.7
137.09686	1.7
141.06990	3.0
142.07776	3.6
143.08536	11.4
145.10117	15.6
146.72949	1.4
147.08076	2.6
147.11615	7.3
149.09662	2.5
149.13268	4.8
155.08548	6.0
157.10133	14.2
159.11700	11.1
161.13251	4.4
166.07828	1.4
167.08565	2.2
169.10094	7.0
171.11687	6.9
173.09537	1.6
173.11829	2.8
173.13268	7.5
175.11189	3.5
175.14815	3.0
181.10095	4.6
183.11696	8.3
185.13222	6.7
187.14842	5.0
189.11227	6.0
193.10342	1.9
193.12230	19.7
195.11629	3.4
197.13264	4.7
199.14824	4.9
201.16362	2.1
209.13232	2.2
211.14825	3.6
213.16454	2.1
223.14859	1.5
225.16283	1.8
227.17802	1.9
237.16397	1.6
261.18448	1.3
261.22101	6.6
267.15894	1.6
285.21997	1.4
299.23715	2.1
301.25299	4.3
313.21909	1.4
317.24832	2.2
327.23334	1.5
347.61804	1.2
357.24152	1.4
417.31601	3.5
419.22577	1.5
435.32516	15.0
453.33487	13.7
471.34604	8.9
509.36334	3.7
527.37274	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47154	1.2
53.03945	4.1
53.89957	1.3
55.01880	2.2
55.05261	2.0
55.05512	22.0
57.03437	4.0
57.07074	2.1
58.72737	1.3
60.87082	1.3
65.03948	2.6
67.05505	39.3
69.07072	11.2
71.04987	3.1
79.05496	39.3
81.03423	25.3
81.03874	2.7
81.07059	37.0
83.04980	6.2
83.08615	11.7
85.06530	2.3
91.05480	38.2
93.07043	30.5
95.04971	11.1
95.08605	27.4
97.06542	4.6
97.10162	6.8
98.20706	2.6
104.35462	1.3
105.07032	30.7
107.04978	5.4
107.08588	17.7
109.06541	3.9
109.10155	12.7
109.36617	1.2
111.08105	3.2
115.05460	2.6
117.07017	13.5
119.08584	22.7
119.57484	1.3
121.06458	1.6
121.10150	13.8
123.08120	2.5
123.11754	1.6
125.09644	3.3
125.12105	1.5
128.06206	4.2
129.06985	14.5
131.08568	22.6
133.10123	17.6
133.10977	1.9
135.08061	2.2
135.11674	7.8
141.07016	5.2
142.07784	3.2
143.08565	14.1
145.10132	16.7
147.08102	1.3
147.11708	11.1
149.13301	4.2
154.07713	1.8
155.08525	8.4
157.10129	16.8
159.11678	11.8
161.13284	2.6
167.08574	2.8
169.10117	10.7
171.11676	8.8
173.13239	6.9
175.11205	5.1
175.14848	1.5
181.10133	3.8
183.11719	8.6
185.13272	7.5
187.14839	4.8
189.11255	2.9
193.10501	2.5
193.12248	13.4
195.11697	4.7
197.13208	7.7
199.14876	3.8
207.11845	1.5
209.13257	4.5
211.14865	4.5
213.16489	2.6
221.13347	2.0
223.14917	3.3
225.16374	1.8
236.54396	1.3
249.16422	1.5
261.22183	3.9
295.20810	2.1
311.23660	1.4
313.21561	1.9
323.23740	1.8
327.23502	2.4
353.24838	2.2
417.31570	6.2
435.32565	14.7
453.33676	9.5
471.34717	6.0
509.36133	6.6
527.37341	100.0
528.37543	2.6
531.70032	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54668	1.3
53.03938	4.2
55.01863	2.5
55.05513	19.6
57.03426	5.0
59.05008	1.6
61.71885	1.1
65.03925	1.5
67.05504	40.3
69.03428	1.9
69.07066	10.2
70.25877	5.1
71.04991	2.6
79.05493	31.8
81.03419	30.9
81.07056	34.9
83.04980	2.9
83.08627	14.9
91.05476	29.9
93.07041	33.0
95.04962	13.6
95.08611	22.6
97.06531	3.1
97.10179	7.7
105.07030	24.1
107.04960	1.9
107.08607	17.2
109.06524	1.7
109.10165	10.8
111.08078	3.7
115.05434	2.0
117.07014	11.8
119.08583	16.5
121.06531	1.4
121.10137	14.3
123.08060	1.7
123.11699	2.4
124.20360	1.3
125.09613	5.8
125.16008	1.3
128.06218	4.6
129.07004	15.0
131.08562	22.3
133.10147	11.5
135.11659	8.4
141.06989	2.4
142.07791	3.4
143.08556	11.6
145.10110	16.9
147.08052	2.5
147.11696	8.5
149.09628	2.2
149.13290	5.1
149.81784	1.2
153.07018	1.5
155.08563	8.6
157.10136	13.3
159.11664	9.2
161.13277	3.7
167.08528	2.7
169.10072	8.6
171.11685	10.9
173.13261	7.1
175.11195	3.5
175.14824	2.2
177.12715	1.1
179.08559	1.5
181.10121	5.3
183.11699	9.0
185.13219	7.8
187.14865	2.1
189.11290	2.1
193.12260	13.4
195.11713	3.7
197.13284	5.5
199.14877	3.4
201.16458	1.4
207.11674	2.0
209.13260	3.7
211.14874	3.5
218.27310	1.3
221.94350	1.2
223.14828	2.1
225.16420	3.0
227.26915	1.5
251.17953	1.7
261.22147	3.8
269.19241	1.4
287.20251	1.9
301.25247	3.0
309.22125	2.9
314.37766	1.2
323.23642	1.9
325.21588	1.7
330.77618	1.3
417.31665	4.3
435.32578	12.2
453.33585	9.6
471.34732	3.7
509.36356	4.3
527.37366	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.4
55.01852	8.3
55.05498	15.3
57.03420	8.5
64.87011	5.4
67.05494	25.9
69.03426	31.4
69.07062	27.5
70.13995	15.4
71.04991	21.7
73.02889	5.8
73.94745	4.5
79.05492	50.7
81.03401	16.2
81.07057	42.2
83.04965	16.0
83.08612	11.5
85.02895	24.1
85.06554	8.9
91.03905	4.8
91.05479	24.5
93.07042	43.3
95.04942	13.7
95.08623	36.2
97.02882	8.0
97.06509	12.8
97.10159	11.3
98.20808	6.4
99.04403	5.1
103.43764	4.5
105.07034	23.3
107.04902	4.6
107.08580	72.5
109.06485	22.7
109.10157	21.6
111.08083	16.8
119.08540	14.5
121.06491	18.1
121.10144	26.1
123.04440	5.2
123.08035	12.3
125.09638	29.1
127.03905	7.6
129.09073	4.5
131.08545	9.6
133.10100	8.4
135.08086	21.5
135.11671	14.2
137.05937	15.8
137.09637	9.3
139.07527	21.1
147.11668	11.3
149.09590	13.3
149.13234	14.3
151.11183	14.5
153.01842	24.7
153.09102	9.2
161.13310	4.4
163.14812	15.5
165.12790	4.6
173.13194	22.2
179.14308	4.9
191.14284	50.8
209.15370	51.2
213.44673	4.2
216.95154	5.2
223.63742	4.8
227.14140	5.7
227.16385	100.0
358.79593	4.5
527.31531	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	527.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.7
53.03942	1.1
55.01858	0.7
55.05516	2.4
57.03434	0.8
57.07064	0.6
59.05013	0.4
60.28472	0.3
64.68793	0.3
66.75745	0.3
67.05502	1.9
69.03413	2.3
69.07070	4.8
70.06573	0.6
71.04984	1.1
71.57866	0.5
73.02921	0.5
79.01845	3.5
79.05489	1.4
81.03416	5.6
81.07046	3.0
83.04991	1.7
83.08612	1.0
85.02895	2.9
85.06525	2.0
91.05476	0.8
93.07038	2.1
95.04952	0.6
95.08601	3.4
97.02888	2.9
97.06537	1.0
97.10155	1.0
99.04453	1.0
99.08091	2.9
105.07005	0.9
107.01301	1.2
107.08572	2.3
108.86172	0.3
109.02863	3.8
109.06515	0.5
109.10139	1.7
110.09656	0.4
111.08070	0.7
111.11712	0.7
113.09575	0.7
119.08522	0.6
121.06516	0.3
121.10136	2.8
123.11717	0.6
125.02343	3.4
125.09608	1.1
127.03909	4.8
131.08551	0.4
133.10138	0.5
135.08014	0.3
135.11665	1.4
137.05951	0.7
137.13237	1.1
139.11154	0.7
143.03386	6.1
145.04909	0.6
145.10083	0.5
151.14757	0.4
153.01822	100.0
153.12732	1.3
154.02199	1.1
163.11069	0.4
166.08646	0.4
171.02878	7.5
175.14854	0.7
177.05402	0.4
177.16371	4.3
195.17438	4.1
199.11070	0.3
208.17023	0.3
213.18504	2.5
297.05997	6.8
303.19693	0.3
315.07016	6.9
328.32150	0.3
329.32233	0.3
362.14050	0.4
443.18481	0.4
497.23483	0.4
527.24731	9.4
528.24945	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	15.7
57.07074	56.7
58.07385	3.5
63.20401	3.8
67.05174	6.8
67.05507	92.1
69.07054	16.1
71.04996	63.1
71.08632	39.2
71.14013	12.5
77.20262	4.2
79.05484	19.2
81.07060	44.1
83.04979	11.7
83.08611	17.8
85.10180	16.5
85.52679	3.6
90.96452	4.4
91.05477	33.3
93.07040	31.7
95.04947	5.3
95.08595	50.2
97.06507	5.1
97.10158	4.1
105.07027	6.6
107.08592	14.8
109.09464	6.2
109.10156	79.1
111.20942	4.6
117.07009	6.0
119.08578	18.9
121.10161	6.7
123.11687	7.2
125.59023	4.1
135.11722	23.8
137.09612	30.2
142.51178	4.0
145.10191	6.5
155.10693	5.6
163.11148	5.8
169.12238	12.0
181.12210	9.5
187.13196	5.2
239.23691	15.1
255.15668	4.9
271.15396	6.7
276.11435	4.0
313.27228	5.1
317.14478	4.0
318.74255	4.2
341.27060	4.2
481.38861	38.5
525.29730	6.0
525.41443	100.0
525.48291	3.9
526.41980	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.01867	2.1
55.05509	22.1
57.02820	1.7
57.03446	3.9
58.45816	1.7
59.04987	2.1
65.03956	1.9
67.05503	30.4
69.07072	18.8
71.04991	3.1
71.58014	2.0
77.43412	2.1
79.05490	25.1
81.03426	5.2
81.07049	35.9
83.04983	4.4
83.08621	10.5
85.06580	2.8
91.05482	28.2
92.24581	1.7
93.07043	20.8
95.04984	5.1
95.08604	23.1
97.06526	3.2
97.10141	3.9
99.21533	1.8
104.59670	1.7
105.07026	23.0
105.75191	2.0
107.04988	2.7
107.08590	13.5
109.06477	3.0
109.10145	9.7
117.07013	11.0
119.08572	14.8
121.06541	2.6
121.10140	9.6
123.08102	2.3
125.09607	2.4
128.06270	8.2
129.07004	22.6
131.08549	23.2
131.09360	1.8
133.10114	11.8
135.11722	3.1
137.06042	1.7
137.09622	2.0
141.06979	13.1
142.07814	7.3
143.08556	26.9
145.10088	16.2
147.11728	7.8
153.07028	4.1
154.07780	3.9
155.08549	27.1
156.09285	2.5
157.10110	21.8
159.08002	1.9
159.11665	9.5
160.72693	1.9
161.09660	2.0
162.86952	1.9
165.07045	4.3
166.07828	2.7
167.07306	2.4
167.08511	11.3
168.09386	5.6
169.10127	28.1
171.11667	20.4
173.13266	5.8
175.11278	2.5
179.08510	9.1
180.09373	3.4
181.10109	17.7
183.11697	22.0
183.13019	2.2
185.09599	2.9
185.13249	10.8
193.10178	7.0
195.11653	19.3
197.13232	20.3
199.14905	6.1
207.11778	6.2
209.13234	16.6
211.14941	7.8
219.11690	2.9
221.13354	7.7
223.14857	9.3
225.16504	2.7
233.13297	2.7
235.14914	5.5
237.16505	3.9
255.21675	2.0
263.18085	2.7
265.19528	2.7
277.19553	2.1
295.20496	3.4
299.23679	2.6
309.22159	2.6
313.21945	2.8
321.22003	3.2
335.23819	3.3
337.21719	2.3
339.23499	2.2
405.31760	2.4
415.29959	8.9
433.31033	35.9
433.36560	2.5
451.32089	20.7
469.33261	6.7
471.33264	3.5
489.33969	5.4
507.34882	16.8
525.35907	100.0
526.36157	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	525.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.01867	2.1
55.05509	22.1
57.02820	1.7
57.03446	3.9
58.45816	1.7
59.04987	2.1
65.03956	1.9
67.05503	30.4
69.07072	18.8
71.04991	3.1
71.58014	2.0
77.43412	2.1
79.05490	25.1
81.03426	5.2
81.07049	35.9
83.04983	4.4
83.08621	10.5
85.06580	2.8
91.05482	28.2
92.24581	1.7
93.07043	20.8
95.04984	5.1
95.08604	23.1
97.06526	3.2
97.10141	3.9
99.21533	1.8
104.59670	1.7
105.07026	23.0
105.75191	2.0
107.04988	2.7
107.08590	13.5
109.06477	3.0
109.10145	9.7
117.07013	11.0
119.08572	14.8
121.06541	2.6
121.10140	9.6
123.08102	2.3
125.09607	2.4
128.06270	8.2
129.07004	22.6
131.08549	23.2
131.09360	1.8
133.10114	11.8
135.11722	3.1
137.06042	1.7
137.09622	2.0
141.06979	13.1
142.07814	7.3
143.08556	26.9
145.10088	16.2
147.11728	7.8
153.07028	4.1
154.07780	3.9
155.08549	27.1
156.09285	2.5
157.10110	21.8
159.08002	1.9
159.11665	9.5
160.72693	1.9
161.09660	2.0
162.86952	1.9
165.07045	4.3
166.07828	2.7
167.07306	2.4
167.08511	11.3
168.09386	5.6
169.10127	28.1
171.11667	20.4
173.13266	5.8
175.11278	2.5
179.08510	9.1
180.09373	3.4
181.10109	17.7
183.11697	22.0
183.13019	2.2
185.09599	2.9
185.13249	10.8
193.10178	7.0
195.11653	19.3
197.13232	20.3
199.14905	6.1
207.11778	6.2
209.13234	16.6
211.14941	7.8
219.11690	2.9
221.13354	7.7
223.14857	9.3
225.16504	2.7
233.13297	2.7
235.14914	5.5
237.16505	3.9
255.21675	2.0
263.18085	2.7
265.19528	2.7
277.19553	2.1
295.20496	3.4
299.23679	2.6
309.22159	2.6
313.21945	2.8
321.22003	3.2
335.23819	3.3
337.21719	2.3
339.23499	2.2
405.31760	2.4
415.29959	8.9
433.31033	35.9
433.36560	2.5
451.32089	20.7
469.33261	6.7
471.33264	3.5
489.33969	5.4
507.34882	16.8
525.35907	100.0
526.36157	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	525.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14815	3.7
55.01864	6.6
55.05519	19.3
57.03432	5.0
57.07084	4.4
61.88018	3.8
67.05496	28.0
69.03429	11.4
69.07069	30.4
70.73866	10.2
71.04983	8.5
79.05494	16.3
81.03440	8.8
81.07053	36.0
83.04989	6.6
83.08607	21.9
85.02903	9.4
85.06543	6.7
91.05463	22.1
93.07030	30.2
95.04969	9.5
95.08599	32.2
97.02888	8.2
97.06512	8.3
97.10159	13.0
105.07037	13.4
107.04950	5.7
107.08579	19.9
109.02866	8.9
109.06541	8.4
109.10143	21.2
111.08029	5.4
115.74287	4.0
119.08565	13.8
121.06479	9.7
121.10144	18.9
121.12669	4.2
123.11707	10.1
125.09570	5.1
131.04884	6.4
131.08548	7.8
133.10167	22.9
135.11688	15.4
137.06007	13.4
137.09605	8.8
139.07571	4.6
140.84723	4.4
147.11696	10.1
151.03885	5.2
153.01807	40.0
163.11218	4.1
167.07068	4.8
177.09097	4.6
191.14366	7.8
217.19592	8.1
235.20599	10.4
253.21519	6.2
323.87521	4.6
327.25299	83.2
345.26447	8.8
407.68109	4.3
525.22882	100.0
525.30304	45.0
526.23987	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	525.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	7.9
55.01878	10.1
55.05502	16.6
56.20656	5.6
57.07065	6.6
67.05493	25.5
69.03436	28.7
69.07059	21.0
71.58702	6.4
79.05489	32.3
81.03411	21.8
81.07054	49.5
83.04961	11.2
85.02907	33.6
85.06547	28.7
91.05468	24.4
93.07036	49.5
95.04980	23.1
95.08626	35.6
97.02896	10.4
97.06517	13.5
97.10149	7.2
101.35471	5.1
105.07008	33.7
107.08583	23.9
109.02873	7.8
109.06503	15.3
109.10142	29.2
111.08073	13.5
119.08578	31.5
121.06504	11.9
121.10160	20.4
123.04410	12.0
123.08066	9.8
123.11695	25.8
125.09627	6.4
127.03878	9.3
131.08569	7.9
133.06499	8.5
133.10141	24.5
135.11745	14.6
137.05948	17.2
137.09601	24.5
137.13263	6.8
139.07541	27.6
139.11168	10.2
145.10132	15.3
147.11684	23.3
149.09552	7.0
153.01831	100.0
153.02995	8.4
153.12798	6.7
161.09683	6.3
161.13237	6.4
163.07593	5.9
163.11124	10.3
167.07069	7.2
171.02928	12.0
171.11697	9.1
174.10371	7.7
177.12735	8.0
189.12704	36.0
190.13104	19.0
193.15846	17.2
207.13750	58.3
208.14101	6.3
211.16882	9.8
225.14821	13.1
231.61116	5.8
296.78317	6.4
309.27802	8.5
426.71432	5.7
427.39920	6.0
525.22443	40.3
525.30145	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	525.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.2
55.01861	28.7
55.05506	47.1
57.03431	18.7
57.07064	7.5
59.04984	15.9
61.02925	8.6
67.05504	83.0
69.03411	8.1
69.07075	36.0
71.04998	40.8
71.58089	6.9
78.16576	6.9
79.05490	80.9
81.03420	54.8
81.07056	100.0
83.04977	22.1
83.08612	30.4
85.02872	15.8
85.06531	21.4
91.05485	79.6
93.07039	76.7
95.04964	44.6
95.08614	52.6
97.06532	21.7
97.10152	16.3
99.08092	7.1
99.64877	6.7
103.05489	8.0
105.07042	51.6
105.07651	8.8
107.04942	24.9
107.08580	36.0
109.02813	6.8
109.06507	18.1
109.10139	28.6
111.04427	10.1
111.08090	13.0
115.59410	6.6
117.07033	17.0
119.08587	43.5
121.06485	15.3
121.10149	50.1
123.08024	13.6
125.05940	6.8
125.09624	17.1
127.03853	7.9
127.50690	6.9
127.92171	6.9
129.06996	20.0
131.08618	44.6
133.10120	36.9
135.08076	10.6
135.11668	33.7
137.05959	11.0
137.09561	11.4
145.10139	25.5
147.08006	10.3
147.11629	32.0
149.09608	27.1
151.11340	6.4
153.01826	10.5
157.10139	16.6
159.11723	15.4
163.11177	21.3
166.65991	8.1
171.11635	8.9
175.11163	20.8
181.12256	10.7
189.11206	13.8
191.10672	12.6
193.12189	46.4
199.13339	10.3
211.13289	59.1
225.14780	10.7
227.12776	11.1
227.95006	6.6
235.26273	5.8
237.08034	6.3
249.14934	10.8
250.07735	7.0
283.15338	9.2
350.12894	7.7
383.22272	10.6
401.23218	16.2
433.25699	8.1
448.88620	7.1
475.27417	9.1
493.27972	14.3
507.29291	20.2
525.30591	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.1
55.54270	7.2
67.05489	14.6
68.89780	7.0
69.03427	11.5
69.07064	9.4
70.02802	21.5
70.03214	18.9
74.56168	7.5
81.03391	17.7
81.07060	24.4
85.02887	10.5
85.06520	9.1
91.05436	17.1
95.08590	30.9
97.06525	7.4
105.07004	14.1
107.08573	9.7
109.02920	13.2
109.10162	57.5
119.08574	21.5
121.10111	12.0
123.94517	7.6
125.02283	9.6
127.03877	11.7
133.10104	21.1
135.11684	42.7
137.09586	10.3
151.01881	7.9
153.01810	100.0
160.26768	7.3
165.16330	7.5
171.02858	9.3
175.14790	20.7
193.15799	18.2
211.16917	46.2
247.94824	7.4
253.77728	7.6
293.81335	9.5
297.06091	8.7
525.22968	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	525.233
Annotation	Mascaroside
Peak:m/z	Relative Intensity
54.25141	6.7
57.88797	6.1
67.05497	16.1
69.03431	8.4
69.07064	9.5
70.70124	24.3
81.03381	10.7
81.07041	15.5
84.24657	6.3
85.02888	7.1
91.05500	7.6
93.06998	8.6
95.08604	16.3
96.71277	6.8
105.07015	7.1
107.08598	15.3
109.02879	9.1
109.06479	8.9
109.10158	58.2
119.08567	21.4
123.08049	11.2
127.03874	7.2
133.10098	6.5
135.11687	59.2
151.11182	9.1
153.01831	100.0
171.02917	15.3
175.14812	20.9
193.15868	36.0
211.16930	43.1
453.39722	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	525.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	18.0
67.05493	38.1
69.03441	21.0
69.07057	31.1
70.87489	49.6
71.04990	16.5
75.71915	12.9
76.10627	13.6
79.05479	46.0
81.03377	13.1
81.07043	57.8
83.04950	27.3
85.02924	31.3
85.06538	33.8
91.05463	40.3
93.07042	66.9
95.04950	38.5
95.08603	100.0
97.02905	18.8
105.07027	48.6
107.04961	17.4
107.08560	42.3
109.02884	25.5
109.06462	17.0
109.10142	44.4
111.08096	24.0
113.05979	24.8
119.08562	48.0
121.06493	23.8
121.10151	44.0
121.42113	13.4
123.08078	45.2
125.05939	26.3
127.03938	22.0
131.08524	19.3
133.10114	18.3
135.11665	27.1
137.05948	39.9
139.07526	49.7
145.10112	18.7
147.11697	16.3
149.09590	70.3
153.01807	64.0
161.05910	17.6
167.06995	18.7
189.12686	16.8
191.14441	15.5
207.13763	71.3
369.42349	15.9
401.42520	15.4
525.22791	95.9
525.30524	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55465	4.9
57.03432	6.2
67.05495	6.3
69.03436	6.8
70.06593	6.7
71.04989	16.6
71.57391	6.7
71.75822	5.2
81.03413	5.9
81.07062	17.0
85.02888	15.1
95.08619	11.2
109.03001	6.8
109.10178	5.1
113.44649	5.1
119.08527	8.4
127.03927	5.4
129.07016	7.8
129.10393	6.2
131.08560	7.6
137.04350	5.2
137.05962	16.9
138.98587	5.0
153.01816	21.8
159.08124	8.2
174.06813	12.5
175.07480	7.1
188.03749	8.8
189.09137	17.7
191.14548	5.6
201.09138	9.5
203.10551	6.4
219.10181	100.0
296.17038	6.1
524.25153	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	524.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29832	0.5
55.05500	0.9
56.05029	1.9
57.03431	0.6
57.07080	3.3
58.06605	2.2
60.08162	17.0
67.05492	2.5
71.07372	5.3
71.08622	2.0
78.25612	0.6
79.05502	1.0
81.03429	1.4
81.07044	1.9
83.08612	1.7
85.10178	1.5
86.09703	50.9
91.05471	1.3
93.07007	0.8
95.05033	0.6
95.08607	2.2
97.10152	1.0
98.21506	1.5
98.98463	4.6
104.10738	100.0
105.07040	0.9
109.10124	0.9
124.99999	27.8
155.89919	0.6
178.67940	0.6
184.07330	98.5
185.07692	0.7
193.12289	1.1
207.82945	0.6
210.27805	0.7
229.71040	0.7
258.10962	0.8
314.27863	0.7
325.30676	0.6
331.53622	0.8
341.30630	1.4
384.18344	0.6
396.01901	0.6
444.59323	0.6
506.35956	10.0
524.37000	22.3
525.36389	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91188	1.0
56.96561	6.6
58.84149	0.9
69.12436	0.9
71.56423	1.0
71.56802	1.3
81.37953	1.0
83.71684	1.0
98.96929	1.8
98.97577	33.8
116.98617	46.9
134.99654	46.4
153.00697	9.3
158.01295	1.4
218.08342	1.1
219.02011	1.5
232.96559	2.2
234.99907	4.2
240.98657	5.6
250.97781	3.4
253.01125	1.9
255.25914	1.2
256.96616	1.2
258.99805	47.1
260.00040	3.2
260.99911	1.2
261.02884	1.7
274.97687	7.5
275.97995	1.6
277.00842	100.0
278.01089	4.4
279.00830	2.4
282.01398	1.3
283.00015	8.9
284.00012	1.1
284.99985	1.8
292.98764	5.5
295.01770	1.6
298.97900	2.4
300.02454	5.0
301.01010	20.6
302.01181	5.4
303.00861	2.3
304.00809	1.5
316.98734	8.3
317.98978	2.3
318.05136	1.1
318.98566	2.1
319.02194	1.8
336.99170	1.3
359.00220	5.9
360.00259	1.7
374.98489	1.5
382.99872	11.6
384.00113	1.9
401.01004	71.5
402.01154	6.9
403.00644	2.5
416.98877	2.6
417.99319	1.7
419.02533	13.8
424.02609	6.1
443.02008	3.1
444.02319	1.6
458.99725	3.8
483.03610	5.3
484.00995	1.2
525.01172	35.2
526.01221	4.0
542.98730	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	525.2327
Annotation	Mascaroside
Peak:m/z	Relative Intensity
52.34797	1.2
53.03936	1.9
55.01881	1.8
55.05508	7.4
67.05501	9.1
69.03407	3.2
69.07058	3.4
69.57198	6.5
71.05008	2.0
75.80169	1.0
79.01838	5.4
79.05486	2.4
81.03401	4.8
81.07059	8.1
83.04980	37.7
85.02890	4.9
91.05481	2.6
93.07044	6.3
95.04951	4.4
95.08620	8.5
97.02874	3.3
97.06499	1.3
98.20773	1.6
99.04447	1.5
107.01333	1.5
107.08599	3.6
109.02869	4.2
109.06515	3.6
109.10157	14.1
111.08096	2.2
119.08582	3.3
121.10143	2.2
122.56164	1.1
123.11716	1.5
125.02339	3.7
127.03908	4.5
133.10118	2.0
135.11703	6.5
137.05978	2.3
137.09613	32.4
143.03389	8.1
149.53033	1.3
151.11226	1.6
153.01823	100.0
155.10690	6.0
164.77327	1.2
165.16347	1.2
171.02924	7.0
171.04266	1.2
175.14790	3.1
179.07037	1.7
179.85417	1.2
193.15857	28.0
205.04842	1.6
223.05954	1.6
297.06000	4.1
315.07028	12.3
327.15768	2.6
525.22955	7.7
525.28955	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	524.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.5
55.01864	3.0
55.05506	3.8
67.05494	2.7
68.99787	1.9
69.03416	6.8
69.07046	1.9
70.91150	4.3
78.49941	1.8
79.05480	2.6
81.03409	6.5
81.07056	4.5
83.08611	2.3
84.08191	1.4
85.01022	1.6
85.02902	10.6
85.06550	3.3
93.07053	2.2
95.08576	2.0
96.08112	2.2
97.02908	6.2
98.06030	1.7
98.09700	4.1
100.11246	7.3
105.07062	2.2
107.08585	2.7
109.02858	4.4
109.10188	2.3
111.00764	1.9
111.04449	4.5
114.09159	3.9
118.06546	1.7
121.02853	1.7
121.10194	1.9
123.11612	1.9
125.09603	2.3
127.03909	5.3
128.10730	2.5
135.04411	2.3
136.07591	1.9
137.02336	100.0
137.03377	3.9
137.05882	1.7
138.02625	1.8
138.09200	2.7
138.59134	1.6
142.12344	1.8
151.03886	2.1
153.01845	12.8
154.12247	2.2
157.13397	1.6
164.07024	3.4
166.08632	3.9
171.13780	2.1
180.06665	2.4
182.15405	5.5
190.04961	2.5
191.03432	5.0
192.06883	1.9
194.04517	3.8
197.05957	3.7
207.02846	2.0
207.85828	1.5
208.06033	3.8
209.04465	6.2
210.14874	3.4
217.05022	2.8
224.12852	1.7
227.17520	3.0
229.04936	3.9
238.47041	1.5
243.06676	2.2
245.04558	2.3
253.04974	3.4
257.04443	4.0
271.06088	4.5
273.03842	6.7
274.04666	2.0
275.05594	2.7
281.04276	1.8
285.03879	2.0
298.07184	3.5
299.05350	8.4
301.03436	6.9
301.06683	2.3
303.04956	30.0
309.03687	1.9
316.08057	10.1
319.04477	8.5
326.06534	6.4
327.01114	2.5
327.04974	48.9
344.07651	69.4
345.05966	27.2
354.23834	3.0
362.08786	18.6
449.31311	2.2
451.32941	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	523.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
55.01856	2.2
55.05510	20.7
57.03446	8.6
57.07074	54.3
61.07796	1.2
65.03932	1.6
67.05504	37.4
69.03422	3.0
69.07066	14.5
70.00658	6.7
71.04986	5.6
71.08628	37.1
79.05497	19.7
81.03419	45.7
81.06583	2.3
81.07057	45.7
83.04983	9.6
83.08150	2.1
83.08622	30.2
85.02423	2.3
85.02902	26.9
85.06526	1.9
85.10178	17.7
91.05480	28.2
93.07046	15.4
95.04971	20.9
95.08605	38.0
97.02877	1.8
97.06542	4.0
97.10165	10.5
99.11698	1.7
105.07025	21.9
107.04945	4.3
107.08608	5.7
109.06509	2.9
109.10154	17.3
111.04435	2.6
111.08091	10.8
111.11737	1.7
113.06043	1.4
115.05448	2.0
119.08576	16.4
121.10136	8.1
123.08102	2.6
123.11667	7.7
125.09608	1.4
125.13290	1.3
129.06993	6.7
131.08557	9.9
133.06493	1.9
133.10088	6.0
136.33330	1.2
137.09595	1.9
137.13272	3.4
142.07780	2.0
145.10205	1.5
145.40381	1.2
147.08034	2.2
147.11676	10.2
149.09650	5.0
151.11307	1.2
151.14825	1.4
157.10130	11.3
165.12788	3.5
175.11171	11.8
193.12236	59.4
211.13280	55.2
221.22603	1.7
222.21568	1.2
239.23708	8.9
249.14862	1.8
267.16022	4.5
313.27518	4.9
347.97513	1.3
367.42999	1.3
505.39023	2.3
523.39941	100.0
524.39667	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	523.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	2.3
55.05512	21.3
57.03420	10.0
57.07077	45.5
59.22581	2.7
67.05507	32.5
68.20438	2.1
69.07062	16.9
70.70456	2.4
70.70815	7.0
71.04989	5.4
71.08631	30.6
79.05490	16.6
81.02947	2.0
81.03412	51.7
81.03864	4.5
81.07054	38.4
83.04964	6.3
83.08612	29.4
85.02909	26.6
85.10169	18.8
91.05476	25.8
93.07060	13.2
95.04971	17.3
95.08615	30.2
97.10179	12.3
105.07049	13.0
107.04930	4.5
107.08566	4.3
109.06512	3.2
109.10155	17.3
111.08071	10.5
119.08600	15.3
121.10130	9.1
123.11708	5.9
129.07007	9.3
131.08575	5.5
133.06555	2.8
133.10115	2.9
137.13271	3.2
147.11696	10.6
149.09605	5.5
157.10117	11.4
174.80272	2.3
175.11168	12.5
193.12239	52.5
211.13274	55.8
213.99268	2.1
229.46651	2.6
239.23759	10.4
253.89270	2.2
267.15985	3.3
301.58270	2.8
313.27420	4.2
523.39954	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.2
55.05516	21.5
57.03429	10.2
57.07076	53.3
58.19532	2.0
59.53913	2.3
67.05498	37.1
69.03411	3.3
69.07068	14.9
70.11163	13.5
71.04990	4.8
71.08632	42.6
79.05496	20.0
81.03414	52.7
81.07053	53.2
83.04974	9.0
83.08614	39.6
85.02905	26.8
85.06511	2.9
85.10181	19.0
91.05492	24.5
93.07033	13.6
95.04949	23.5
95.08609	43.8
97.06504	3.5
97.10156	8.1
98.20882	3.8
105.07034	19.8
107.04957	3.9
107.08583	7.4
109.06515	2.5
109.10146	17.7
111.04417	3.0
111.08080	9.0
113.06007	3.5
114.77209	2.3
119.08590	14.4
121.10120	6.5
123.04620	2.4
123.11694	4.2
129.07001	8.5
131.08578	9.8
133.06479	2.4
133.10143	8.2
142.07761	5.0
147.08005	2.9
147.11684	12.3
149.09636	6.1
157.10112	8.4
175.11179	15.8
193.12238	52.9
211.13271	57.4
239.23685	9.7
267.15994	6.3
313.27438	6.1
523.39886	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43837	3.4
53.03957	3.6
55.01875	7.6
55.05265	7.1
55.05511	84.5
56.79289	3.7
57.03435	14.7
57.07072	13.3
63.50970	3.7
67.05177	7.8
67.05505	97.2
69.03419	9.3
69.07070	19.9
71.04957	4.9
76.21401	4.2
79.05492	63.3
81.03428	17.5
81.07059	100.0
83.04998	7.0
83.08621	56.4
85.06541	5.3
91.05482	24.6
93.07046	78.5
95.04987	7.9
95.08609	58.0
97.02928	5.1
97.06515	6.7
97.10167	87.6
105.07021	23.5
107.08601	54.2
109.10145	32.6
111.08042	6.2
117.07053	10.4
119.08588	17.5
121.10123	29.3
123.11711	14.2
125.09625	70.5
131.08554	19.4
133.10123	13.1
135.08046	12.1
135.11671	21.6
137.13240	7.3
145.10155	13.4
147.11659	10.3
149.13264	9.8
153.09076	4.6
159.11742	10.0
161.13226	10.8
163.14818	6.9
171.10214	6.7
173.13307	11.1
187.14838	5.4
189.11206	66.4
193.12267	8.3
227.12756	62.6
227.14856	4.3
235.40944	4.3
243.21141	12.1
245.13806	79.0
261.22141	70.2
265.13632	4.0
267.15884	9.4
279.23206	6.3
287.69986	4.4
313.27338	8.1
317.24591	20.1
335.25760	45.1
431.19333	4.9
505.34952	20.4
523.39349	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	523.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.6
55.01862	8.1
55.05507	63.9
57.03425	10.3
57.07082	20.5
67.05495	100.0
69.03419	6.0
69.07063	23.0
71.08633	7.7
74.41937	4.2
79.05484	50.3
81.03407	10.3
81.07050	78.7
83.04964	7.5
83.08617	40.7
85.02879	6.1
85.10172	8.8
91.05478	29.6
93.07041	44.5
93.34128	4.5
95.04950	18.4
95.08597	67.2
97.10158	77.2
105.07051	23.0
107.08578	45.2
109.10144	28.7
111.44622	4.8
117.07035	8.0
119.08566	14.8
121.10129	24.9
123.11705	14.3
125.09637	50.0
131.08534	11.2
133.10130	12.9
135.08008	7.3
135.11728	11.7
137.13274	4.9
143.10641	4.9
144.09393	4.9
145.10117	13.2
147.11676	12.9
149.13248	13.5
157.10129	7.3
159.11687	8.6
161.13261	5.8
163.11212	4.2
163.14745	3.9
165.12810	4.6
171.10100	10.0
173.13297	10.0
184.39703	4.1
187.14781	7.6
189.11183	46.1
193.12253	9.2
211.13210	10.5
227.12753	45.5
229.64687	6.1
239.23769	4.0
243.21082	10.2
245.13850	61.7
261.22122	45.8
267.15857	11.3
305.71240	4.7
306.48526	3.8
317.24673	7.9
335.25793	43.7
336.13358	4.3
413.30621	4.5
431.32013	4.8
487.34326	7.5
505.35223	16.5
523.29626	12.4
523.40198	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	523.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29544	1.8
53.03944	9.2
53.22500	1.5
54.07318	1.7
55.01868	12.2
55.05501	6.5
57.03419	2.2
59.05020	2.0
60.95383	1.9
63.56481	1.6
65.03922	2.1
67.05493	9.0
69.03423	16.2
69.07059	5.6
69.89089	11.4
71.01338	2.1
71.04980	4.4
77.93734	2.0
79.05489	36.3
81.03416	15.1
81.07050	15.4
83.04968	6.4
83.08616	6.1
83.16675	1.5
85.02901	19.7
85.81326	1.7
91.05476	37.3
92.67075	1.6
93.07037	68.7
93.07630	3.5
95.04967	20.8
95.08591	10.7
96.40598	1.7
97.02873	7.2
97.06522	5.9
98.20845	2.4
99.04455	4.9
99.08125	1.8
105.04498	2.2
105.07045	8.8
107.04935	7.9
107.08591	12.0
109.02866	9.4
109.06519	14.3
109.10168	5.1
111.04419	5.0
111.08064	16.3
117.07008	4.0
119.08554	8.3
121.06493	36.1
121.10120	5.4
123.04387	2.3
123.08067	7.2
125.06008	4.3
125.09511	1.9
126.34606	2.0
127.03896	19.0
129.07004	2.6
131.08598	2.6
133.06506	5.4
133.10121	7.5
135.04422	2.4
135.08061	7.7
135.11676	19.1
137.05945	7.4
137.09576	9.9
139.07529	100.0
145.02924	1.8
145.04965	3.1
145.10120	4.0
147.08066	5.5
147.11615	2.6
149.05992	5.1
149.09583	2.8
149.13231	2.9
151.07544	5.4
153.01848	7.1
153.05470	2.7
155.08575	2.3
157.06421	1.9
159.11685	7.0
163.07529	6.7
163.11176	5.1
175.07571	7.7
175.11256	1.7
177.12738	17.2
181.08597	8.0
187.07489	1.9
189.09137	3.0
193.08601	3.6
193.12219	2.1
194.16185	2.0
195.13788	13.8
201.09190	2.3
205.12248	4.8
217.08655	2.3
223.13278	16.1
247.09671	4.3
265.10690	6.5
283.11749	6.5
351.37848	1.7
353.19540	2.0
421.97919	1.8
463.18585	2.3
515.99164	1.8
523.29156	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	522.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.8
56.05019	0.9
57.07075	0.9
58.06599	1.7
60.08159	17.0
60.44358	0.6
67.05496	2.8
69.07067	3.6
69.36303	5.4
71.07370	7.3
72.84077	0.6
79.05483	1.5
81.03400	0.7
81.07037	2.9
83.08594	1.6
86.09700	53.8
87.86884	0.5
91.05447	1.0
93.07056	1.8
95.08601	2.1
97.10166	0.8
98.21458	1.0
98.98458	3.7
104.10736	100.0
105.11068	0.6
107.08565	1.2
109.10179	1.5
111.11783	0.6
121.10141	0.9
124.99994	29.5
135.11636	0.8
140.36954	0.6
143.01010	1.1
145.10158	0.6
184.07327	99.1
194.16382	0.6
233.31810	0.6
258.11053	1.0
270.87616	0.6
319.29266	0.6
339.28860	1.6
463.54855	0.6
504.34488	8.1
522.35437	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	523.2173
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03954	1.9
69.03436	1.9
69.58566	3.5
69.58982	7.5
79.05504	2.3
83.01151	1.4
85.02927	2.1
85.86747	1.3
91.05474	6.3
95.04958	1.8
97.02884	1.7
98.20792	3.0
103.05468	43.1
105.07028	2.5
107.04955	13.5
113.22978	1.6
117.07035	3.0
119.04980	2.2
121.06509	2.2
122.03616	3.1
131.04926	55.3
132.05725	1.5
133.06491	1.7
135.08058	4.5
137.05971	38.9
138.06360	1.7
144.71138	1.5
147.04402	2.8
149.06001	2.0
149.09615	1.7
151.07524	14.2
153.01787	5.5
161.05957	2.8
162.06734	2.0
163.07541	100.0
164.08127	4.8
175.07501	10.2
177.09120	39.9
179.07060	3.0
181.08549	7.5
188.14461	1.6
195.10179	4.9
203.10693	7.3
207.10147	2.2
221.11812	7.2
299.12927	2.3
303.01474	2.0
330.14157	1.8
361.16275	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2174
Annotation	Macarangioside E
Peak:m/z	Relative Intensity
51.83845	2.4
62.31773	2.3
62.69272	2.3
66.39880	2.8
69.03422	11.4
69.07052	3.2
70.91924	7.7
79.01852	3.9
81.03414	11.4
81.07034	4.7
93.07039	3.0
94.02806	2.4
95.08575	5.6
105.06997	4.4
107.08607	7.4
109.02913	5.2
109.06502	5.9
109.10075	4.2
119.08598	3.3
121.10138	9.1
123.08091	3.1
125.02325	3.5
127.04003	6.7
133.10123	14.8
137.09642	13.2
140.59795	2.8
143.03381	5.8
149.09639	7.8
149.13266	7.2
151.11166	19.9
153.01833	97.7
162.78969	2.9
165.12766	48.1
171.02827	8.9
191.14320	10.1
193.15900	2.8
203.67709	2.8
209.15367	100.0
235.72209	2.7
297.06046	5.8
315.07022	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	523.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.1
55.05510	4.1
57.07082	2.8
67.05504	6.9
69.03428	9.7
69.07055	7.6
71.04983	5.2
71.50453	3.2
79.01846	3.2
79.05479	6.0
81.03413	6.6
81.07062	17.5
83.04976	7.8
83.08618	3.2
85.02895	6.2
85.06535	5.3
91.05473	5.9
93.07047	9.2
95.04978	2.4
95.08610	20.8
97.02874	6.3
97.06554	2.3
99.08085	3.7
105.07042	8.8
107.01331	1.6
107.08588	21.1
109.02873	5.4
109.06501	6.0
109.10156	14.7
113.47431	1.8
119.08578	4.5
121.06576	2.3
121.10145	20.4
123.08135	2.4
123.11686	5.4
125.02348	3.5
125.09646	7.8
126.18875	1.8
127.03916	8.6
131.08539	3.8
133.10135	8.2
135.08076	4.7
135.11662	5.5
137.09555	3.9
139.11182	3.9
143.03381	4.7
145.04988	2.2
145.10207	1.9
147.11687	4.9
149.09605	7.7
149.13252	13.8
151.11171	50.2
153.01828	100.0
159.11633	2.6
163.14833	8.3
165.12740	5.1
171.02902	10.7
173.13240	8.0
191.14302	45.8
209.15350	36.3
232.93578	1.7
247.41365	1.6
250.85109	1.7
289.25177	2.3
297.06079	5.3
307.26306	2.4
315.07047	6.5
325.27295	2.5
442.87347	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
68.63712	4.3
69.03433	6.8
69.56047	19.0
69.56455	10.5
84.10400	3.5
85.02881	13.5
91.12784	3.5
92.64970	3.3
93.06999	5.0
97.03011	3.7
111.37177	4.0
121.10145	4.7
165.05487	13.2
264.91513	3.8
267.10028	5.0
297.11166	28.4
297.14801	20.0
315.15866	4.4
325.14383	12.2
343.15411	100.0
344.15588	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	522.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04072	0.3
51.76702	0.3
55.05519	0.4
57.29436	0.3
58.06590	0.5
60.07883	0.4
60.08161	6.6
61.28294	0.3
67.05485	0.8
69.07056	0.7
71.07360	3.4
71.57931	0.4
79.05460	0.4
81.07043	0.8
86.09699	32.9
87.10011	0.5
95.08597	0.7
98.98457	2.9
104.10738	3.2
109.10117	0.5
119.08642	0.3
121.10098	0.5
124.99995	23.6
143.01065	0.5
184.07330	100.0
185.07617	0.7
223.01527	0.3
504.34567	0.9
522.36096	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27330	2.0
55.01866	2.4
57.03421	5.1
60.02133	8.6
61.02924	3.3
69.03426	17.6
70.14971	8.5
70.33849	2.1
71.04977	5.1
73.02913	6.8
79.05526	2.6
81.03379	5.2
85.02899	22.8
87.04456	2.8
91.05481	4.3
93.07028	2.8
95.04963	3.4
97.02873	9.3
107.04994	3.4
108.21366	1.9
109.02853	3.4
109.10190	2.0
119.08603	3.1
121.06488	2.9
127.03919	5.0
129.06999	2.1
131.00008	1.8
131.04889	4.8
137.05965	24.6
144.85989	2.4
147.04349	5.3
149.05991	3.3
150.06746	4.4
151.03902	2.4
153.01826	5.2
161.05986	8.6
162.06737	4.0
163.07576	2.5
174.06761	9.5
175.07492	4.1
182.07217	2.2
192.13994	2.0
193.06473	2.8
194.07233	5.1
195.08125	3.2
202.07736	3.0
208.10976	4.6
210.06743	2.8
211.07426	4.6
219.07988	3.3
220.08917	2.2
221.06017	5.0
221.09521	3.2
222.06699	6.8
223.07570	3.6
225.09044	7.2
231.08008	2.3
234.06818	2.7
235.07416	4.1
236.08363	2.4
237.09209	6.6
239.06975	4.2
240.08055	2.8
248.08318	3.9
249.09186	4.6
250.06264	2.3
251.07007	2.8
252.07683	3.0
253.08728	10.3
253.11649	2.1
254.09395	2.8
261.09283	2.5
264.07904	2.5
265.08633	12.8
266.09296	3.6
267.10126	5.3
277.08609	3.0
278.09143	2.2
279.10187	5.1
280.10788	2.4
281.08130	7.5
281.11502	4.5
283.09622	7.1
285.11145	3.0
286.11929	9.0
288.05811	2.6
293.11740	4.1
295.09708	4.8
296.10324	3.0
297.11145	11.2
298.12106	17.0
299.12778	2.8
309.11227	8.4
310.12091	5.2
311.12796	10.3
323.12762	3.0
327.12271	25.7
329.13730	7.0
330.14600	76.5
341.13831	84.8
342.14590	100.0
343.14883	6.0
343.20023	2.5
353.13849	3.4
461.73810	2.2
492.19830	25.0
504.19797	19.2
522.27374	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	522.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26467	1.2
52.69425	1.1
56.44234	1.3
57.75818	1.2
59.02204	1.1
59.03817	1.3
67.05500	1.8
69.03413	2.6
79.05452	1.4
81.03420	2.1
81.30519	1.1
83.91111	1.1
85.02898	3.6
89.24449	1.1
91.05500	2.3
93.07043	1.4
95.04995	2.4
97.02882	2.3
105.07026	5.6
106.07360	1.5
107.08576	1.3
107.15965	1.1
107.44966	1.1
109.02905	1.6
111.08028	1.2
117.03367	1.9
119.04943	1.6
119.08588	3.6
120.08891	1.8
121.06497	1.6
123.08096	1.5
127.03873	2.7
133.06483	3.8
137.05988	9.7
138.06676	1.7
147.04408	1.9
147.08043	1.5
149.09605	6.1
150.09955	3.9
151.03940	1.9
153.01837	18.0
154.02184	4.1
161.05984	12.5
161.09610	3.9
162.06764	5.1
162.13614	1.7
163.07510	1.5
165.07022	2.1
167.08592	1.6
171.02855	1.9
171.11766	2.3
172.36314	1.8
174.06772	1.9
178.07732	2.8
179.08621	1.8
189.07228	1.5
189.09140	3.8
189.12761	6.4
190.13115	5.0
193.10036	2.0
194.07320	1.8
195.08037	3.9
206.07317	3.6
207.00217	1.3
207.08316	2.3
207.10133	8.2
207.13788	19.1
208.10719	1.3
208.14131	13.7
209.09639	2.3
210.06705	1.7
211.07574	2.6
219.08086	2.9
220.08878	4.3
221.05940	2.6
221.09593	3.5
222.06781	1.9
223.07562	6.4
224.08322	1.5
225.09152	3.5
231.08026	1.8
234.06799	2.6
235.07552	2.4
237.09167	2.8
238.06151	1.7
238.09901	5.5
239.07042	3.2
240.07938	3.3
248.08356	3.6
249.09135	4.3
250.06354	1.7
251.07127	3.0
253.08633	6.0
254.09457	1.6
255.10201	2.3
263.10883	1.9
265.08624	8.1
266.06641	1.6
266.09290	9.8
267.10266	2.3
268.07230	1.8
277.08551	1.8
280.10696	1.6
281.08078	6.3
281.11459	2.9
282.12326	1.8
283.09555	6.6
283.12820	1.2
285.11270	2.6
286.12012	3.5
291.09927	1.3
297.11261	3.1
298.12054	6.1
299.12711	2.9
309.11304	5.1
310.12027	13.9
311.09561	1.4
311.12650	6.9
327.12259	50.8
328.12234	1.5
329.13843	4.0
330.14615	11.4
341.13647	3.3
342.14594	100.0
343.15289	2.4
515.64288	1.4
531.97620	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.2
55.01867	10.5
55.05506	41.3
57.03418	6.6
57.07072	54.3
59.04988	2.4
60.46287	1.7
65.03934	4.7
67.05501	43.4
69.03428	3.2
69.07063	33.2
70.71658	5.2
71.04974	4.6
71.08633	32.0
79.05491	37.3
80.05829	1.7
81.03409	20.4
81.07053	59.1
83.04977	12.8
83.08144	3.4
83.08617	41.2
85.02903	7.9
85.06549	2.4
85.10172	16.2
91.05476	29.0
93.07040	41.5
95.04956	18.7
95.08603	52.5
97.02883	4.3
97.06517	6.4
97.10165	16.2
99.04451	5.3
99.08025	2.2
105.07027	18.3
107.04950	9.4
107.08593	22.9
109.06522	6.8
109.10150	17.3
111.04442	3.7
111.08080	3.4
111.11723	5.2
113.06013	2.7
117.07004	12.4
119.08575	17.8
121.06535	5.1
121.10150	17.9
122.65050	1.7
123.08058	4.7
123.11707	6.8
129.06995	3.8
130.07741	2.8
131.08582	6.1
133.10130	6.8
135.08122	1.8
135.11678	36.2
137.13243	3.8
143.08659	2.0
145.10118	22.6
147.08061	3.1
147.11757	4.6
149.09698	1.9
153.12724	2.5
157.10083	3.8
159.11713	2.2
163.11168	57.5
173.09598	3.1
175.11169	4.8
181.12209	9.2
193.12231	14.1
209.11662	4.5
211.13280	13.0
211.39792	1.7
221.15355	2.3
227.12769	77.8
233.12979	2.2
237.22145	5.7
239.23773	7.5
323.23041	2.0
325.72443	1.7
503.35715	3.1
521.38367	100.0
522.38611	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	521.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	1.5
53.03942	5.3
55.01860	3.1
55.05510	38.4
57.03436	9.3
57.07080	10.0
65.03934	2.3
67.05501	55.5
69.03417	4.3
69.07066	42.8
71.04977	6.6
71.08629	3.5
79.05492	35.7
81.03413	50.1
81.07053	61.4
83.04978	10.4
83.08616	45.6
85.02420	2.8
85.02898	30.8
85.03376	2.6
85.06551	2.9
85.10184	2.6
91.05472	27.7
93.07034	32.9
95.04959	22.0
95.08602	38.9
97.02877	2.0
97.06530	4.6
97.10166	17.1
98.21561	2.2
105.07021	20.0
107.04964	5.2
107.08601	15.6
109.06503	3.6
109.10138	14.4
111.04444	1.5
111.08087	13.1
111.11732	5.5
113.05967	2.0
119.08583	15.0
121.06521	1.3
121.10142	28.4
121.60519	1.3
123.11708	5.7
125.09644	3.0
129.06955	7.6
131.08609	8.8
131.38905	1.5
133.06476	3.0
133.10126	5.1
135.11697	15.8
137.13248	4.6
142.07777	1.7
147.08099	3.5
147.11703	12.5
149.09619	4.4
149.13272	3.4
157.10162	9.2
163.11166	2.0
165.12746	3.0
172.95221	2.3
175.11171	13.2
190.96271	1.9
192.86829	1.6
193.10439	2.4
193.12225	57.6
211.13289	59.3
212.68887	1.5
219.21135	3.7
237.22168	9.4
267.16006	5.6
277.29968	1.6
285.17102	1.9
311.25958	2.5
429.33472	3.3
447.35165	1.5
503.37070	2.7
521.38397	100.0
522.38965	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	521.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.9
55.01860	2.5
55.05264	2.8
55.05513	40.4
57.03446	7.7
57.07070	9.3
67.05504	52.2
69.03428	2.6
69.07070	50.7
71.04990	7.1
71.08628	5.8
79.05495	36.2
81.03421	53.1
81.07056	61.6
83.04979	13.9
83.08619	46.8
83.09120	2.1
85.02428	2.6
85.02911	29.8
85.06529	3.6
85.10175	1.7
91.05479	25.9
93.07041	33.5
95.04966	25.3
95.08604	39.3
97.02882	2.5
97.06528	5.2
97.10171	21.7
98.20763	4.6
99.08129	1.9
105.07029	24.3
107.04981	4.5
107.08588	16.4
109.06495	4.4
109.10154	11.4
110.74111	1.8
111.08086	10.6
111.11745	5.3
112.71320	1.5
113.06021	2.2
113.09643	1.5
115.05470	3.0
117.07046	1.9
117.81372	1.5
119.08585	17.4
121.10132	27.9
123.11735	7.6
127.11178	1.6
129.06978	8.8
131.08592	7.3
133.06514	1.8
133.10136	6.6
135.11687	14.1
137.09720	1.5
137.13246	4.6
139.11176	1.7
142.07819	2.8
145.10164	1.8
147.08054	2.8
147.11673	11.7
149.09619	4.0
149.13298	4.2
157.10135	12.6
163.14832	2.4
165.12794	2.7
175.11182	15.3
193.12244	57.4
211.13295	55.4
211.15271	2.6
219.21146	5.1
237.22087	10.0
247.16954	1.5
253.43970	1.6
267.15906	4.5
311.25882	3.2
341.30673	1.7
349.35330	1.7
429.33884	2.8
496.02615	1.6
503.37701	3.8
521.38379	100.0
522.38770	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	521.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01868	10.3
55.05510	52.1
57.03430	7.1
57.07076	38.4
59.04981	2.7
61.50245	1.5
65.03948	3.1
67.05503	37.3
69.03413	2.6
69.07070	42.9
69.34216	3.0
69.34625	15.9
71.04993	4.8
71.08633	32.0
78.71975	1.8
79.05488	32.8
81.03418	25.9
81.07054	47.2
83.01353	3.7
83.04988	13.9
83.08615	53.1
85.02906	14.0
85.06561	2.9
85.10186	16.5
87.11234	1.8
91.05479	28.7
93.07043	23.6
95.04977	18.3
95.08608	35.1
97.02895	2.5
97.06541	5.9
97.10167	26.1
99.08124	2.1
105.07031	24.2
107.04946	12.1
107.08597	14.7
109.06509	9.1
109.10165	12.0
111.04446	2.7
111.08080	7.5
111.11727	7.6
117.07034	5.8
119.08577	18.2
121.06528	3.2
121.10139	13.3
123.08069	6.1
123.11715	6.7
125.05923	1.9
125.09628	3.3
125.13316	3.7
129.06996	9.6
131.08571	8.5
133.10123	7.4
135.11685	12.4
137.13275	2.9
145.10085	10.0
147.08115	1.9
147.11682	7.4
149.09621	2.8
157.10097	8.7
163.11165	18.9
175.11169	8.6
181.12274	3.0
191.10672	2.1
193.12238	28.4
207.91299	1.9
209.11763	5.5
211.13300	23.0
227.12885	3.7
237.22054	12.0
239.23764	8.7
267.15918	4.1
267.71277	1.7
335.06073	2.0
345.29477	1.6
421.81302	1.9
438.61719	1.9
521.38373	100.0
522.38733	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	521.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	31.4
67.05501	41.4
69.03417	15.0
69.06795	7.2
69.07066	89.6
71.04983	17.5
79.05473	31.8
81.07063	100.0
83.08610	24.9
85.02908	16.6
91.05469	15.0
93.07022	50.2
95.04919	15.0
95.08606	43.1
97.02925	9.4
97.06510	11.1
98.04120	8.2
99.08092	11.8
105.07008	35.1
107.08634	43.4
107.09206	9.3
109.06483	13.3
109.10142	41.2
111.11723	17.0
119.08560	29.1
121.10124	48.6
123.11710	24.6
131.08588	9.2
133.10075	11.1
135.11668	21.6
137.05939	25.1
137.09598	10.0
139.11147	11.9
145.10114	20.5
149.09586	12.3
149.13249	15.8
151.11241	14.4
153.01752	13.5
157.10060	11.2
159.11682	13.5
163.14752	8.4
167.06972	11.0
173.13292	11.3
175.14876	14.0
189.09079	12.4
229.72673	11.1
279.23120	12.1
293.24811	11.1
305.24619	31.3
323.25885	23.7
341.20737	11.3
372.92422	9.4
473.16086	12.0
521.21356	10.6
521.27264	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3317
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.01850	14.4
55.05506	28.2
56.09431	8.7
65.34650	10.3
67.05497	42.0
69.03436	19.2
69.07061	95.1
69.58568	82.3
71.01402	10.1
71.04987	29.2
79.05482	24.0
81.03419	16.6
81.07062	100.0
83.04979	22.0
83.08656	16.0
85.02903	25.9
90.85333	10.1
91.05473	27.0
93.07034	66.6
95.04946	22.2
95.08599	70.1
97.06539	19.3
99.08077	15.4
105.07018	43.9
107.04964	12.6
107.08611	54.0
107.09245	10.7
109.06512	29.7
109.10156	78.7
111.08060	15.7
111.11724	21.4
119.08570	36.0
120.08064	10.6
121.06468	13.0
121.10139	78.6
123.08011	16.6
123.11691	41.3
127.11176	17.6
131.08549	14.3
133.10143	37.6
135.11687	36.6
137.05966	45.6
137.09619	16.9
143.08612	10.5
145.10069	19.4
147.11671	32.0
149.09679	13.8
149.13231	24.7
151.07520	12.5
157.10127	14.9
159.11707	21.6
161.05992	22.8
161.13261	15.3
163.11243	17.2
167.07005	12.8
173.09712	13.6
173.13321	14.6
177.09138	12.3
179.17882	11.0
225.14656	10.9
287.23462	14.0
292.76437	9.7
293.24750	16.9
304.10840	10.2
305.24713	39.1
323.25604	33.0
425.17953	10.9
445.32559	13.0
521.19415	21.0
521.26373	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.80617	0.9
58.39543	0.9
65.24929	0.9
69.86894	1.8
69.87306	5.2
74.15027	1.0
85.02892	2.9
94.16238	1.3
95.04980	1.1
95.92107	1.0
96.89957	1.0
98.21406	2.0
103.05465	60.6
105.07043	1.5
109.71658	1.1
110.41138	1.1
112.36839	1.2
131.04927	100.0
132.05263	1.4
137.05980	12.9
147.04402	3.1
161.05919	3.1
162.06761	1.6
163.07541	33.0
175.07504	1.6
204.06647	1.3
230.47224	1.2
252.42436	1.2
341.10297	1.4
368.20490	1.1
386.66708	1.2
417.77234	1.2
521.16302	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.4
55.16667	0.4
56.05024	0.9
57.03415	0.4
58.06597	1.6
60.08158	18.2
60.56015	0.4
67.05513	3.0
69.07046	1.5
69.82922	2.6
71.07368	7.2
79.05500	0.8
81.07046	3.6
83.08596	0.9
86.09702	57.6
91.05467	0.7
95.08607	1.9
98.98465	4.4
104.10738	99.9
105.07030	0.6
121.10195	0.5
124.99999	31.4
130.16525	0.4
136.49626	0.4
137.49759	0.5
142.18617	0.4
143.01062	0.7
143.70123	0.4
163.01524	0.7
184.07330	100.0
185.07759	0.9
258.10999	1.3
337.27377	0.9
502.33011	5.9
520.33936	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
56.05032	0.5
57.84872	0.2
58.06604	0.4
60.08162	7.0
65.03041	0.2
67.05501	0.7
69.07050	0.3
70.71648	0.8
71.07372	2.7
76.34020	0.3
78.86012	0.2
79.05486	0.3
79.94707	0.2
81.07047	0.5
83.08590	0.4
86.09705	29.1
93.07040	0.3
95.08601	0.6
98.02608	0.2
98.98455	2.5
104.10741	2.8
125.00003	19.9
130.47542	0.2
133.10077	0.3
178.63374	0.3
184.07338	100.0
185.07791	0.5
212.13222	0.2
258.11139	0.3
332.82230	0.2
396.31616	0.3
409.82184	0.3
502.32816	1.0
520.33636	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36364	0.9
64.32660	1.0
69.03411	1.6
70.63852	3.3
72.97124	1.1
79.01856	3.4
81.03413	5.8
84.85506	1.1
85.02919	1.3
85.71915	0.9
91.05813	1.2
97.02877	3.4
107.01295	1.5
109.02888	1.7
118.96814	1.0
125.02346	1.4
127.03911	1.8
132.04462	8.3
143.03404	3.4
153.01830	57.0
171.02901	2.7
178.04994	66.9
206.04485	100.0
207.04684	1.5
264.59637	1.3
297.06030	7.1
298.36115	1.2
300.06366	1.1
315.07153	2.9
396.31198	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
54.66259	0.7
56.96564	1.1
57.03421	1.1
61.31175	0.6
63.17834	0.7
69.03410	3.1
70.79755	2.4
77.29167	0.8
79.01838	2.2
81.03418	6.2
85.02900	4.3
87.96079	0.7
90.14040	0.7
97.02902	3.7
99.04446	0.9
107.01309	1.4
109.02887	3.9
125.02341	3.5
127.03904	2.8
132.04449	10.3
135.13084	0.7
143.03387	5.5
145.04990	0.8
146.99617	0.8
153.01831	67.2
161.64426	0.9
163.03850	1.0
171.02888	3.4
177.00737	0.8
178.04993	73.0
179.05444	1.1
186.04681	1.8
206.04486	100.0
207.04840	1.6
263.81781	0.8
267.07367	1.2
267.57556	1.0
277.03586	1.4
297.06116	6.2
303.01306	4.3
304.01492	0.8
315.06909	1.0
315.37555	0.8
520.14490	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14531	2.0
53.03942	5.7
53.95419	2.1
55.01875	7.2
55.05506	29.9
57.03428	12.1
57.07077	3.6
60.74969	2.5
65.03933	6.2
67.05499	100.0
69.03429	4.3
69.07072	20.4
69.47150	17.6
71.04997	4.9
79.05489	46.2
81.03414	50.9
81.03809	1.9
81.07049	86.1
81.07524	4.2
83.04968	11.9
83.08614	27.4
85.02898	23.7
85.06522	2.9
91.05460	42.4
93.07036	37.5
95.04961	26.3
95.08603	67.5
97.02898	3.1
97.06544	6.1
97.10173	8.3
105.04593	2.8
105.07018	29.8
107.04964	5.8
107.08585	22.2
109.06534	5.8
109.10144	34.1
111.04485	4.1
111.08061	13.8
113.06092	3.1
117.07034	5.9
119.08592	25.5
121.06475	2.5
121.10136	19.0
123.08069	3.4
123.11736	9.2
124.10842	2.3
125.09656	3.5
125.74485	2.3
127.07569	2.1
129.07021	8.7
131.08598	12.0
133.06465	3.3
133.10153	18.8
135.11662	18.5
137.09627	4.9
137.13318	3.4
139.11148	2.7
143.08617	4.0
145.10121	10.9
147.11668	20.7
149.09654	3.4
149.13313	4.6
151.11169	2.6
157.10152	15.0
159.11771	4.7
161.13301	4.8
163.11266	4.9
165.12772	2.5
167.05603	3.8
173.13283	3.3
175.11185	12.4
185.13460	2.0
189.11200	3.5
193.12236	49.2
209.11649	3.2
211.13271	47.7
217.19507	2.4
227.12808	6.2
235.20645	6.1
267.15955	3.5
287.15591	2.4
291.19583	2.3
299.06293	3.1
309.24298	2.7
342.02094	2.3
415.09445	2.3
427.32056	5.3
445.33185	3.7
461.44565	2.6
501.35645	15.6
519.36945	77.2
520.38043	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	519.2566
Annotation	Asp Thr Gln Arg
Peak:m/z	Relative Intensity
55.05507	1.1
62.66327	0.4
64.43780	0.4
67.05493	1.1
69.03419	0.8
69.07055	1.1
71.04970	0.5
79.05480	2.0
81.03406	1.1
81.07056	3.9
85.01126	2.0
85.02906	0.5
85.06532	0.4
91.05466	0.8
93.07044	2.0
95.04949	0.9
95.08605	1.1
95.95023	0.4
97.02868	0.5
97.06544	0.7
103.05497	0.4
105.07036	2.2
107.04951	0.4
107.08587	1.3
108.18929	0.4
109.02887	0.5
109.06500	1.0
109.10157	1.1
111.04465	0.6
113.04205	0.9
119.08530	1.0
121.06519	0.5
121.10147	1.3
122.29563	0.4
123.11690	0.8
127.03922	0.7
127.07544	0.4
131.08589	0.7
133.10143	0.5
137.05974	3.0
139.11176	0.4
145.10164	0.6
147.08110	0.7
147.11705	0.8
153.01843	0.7
159.11676	0.8
161.05966	0.6
161.13193	0.4
163.11050	0.5
165.09084	0.5
167.05630	0.5
167.07060	0.5
172.03979	0.6
173.09714	0.4
175.07574	0.8
185.06320	0.4
187.07559	0.8
204.06554	0.9
299.06290	0.8
303.23169	1.3
321.24304	0.8
339.19324	1.8
344.97821	0.6
357.20358	5.0
398.17163	0.4
412.31003	0.4
483.18695	0.6
485.24567	0.4
489.08237	0.4
501.19568	0.9
519.25671	100.0
520.26184	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	518.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.2
56.05020	1.6
58.06601	1.6
60.08159	18.2
67.05505	3.1
70.44088	0.7
71.02885	1.8
71.07365	7.0
79.05491	1.9
80.05796	0.8
81.07040	2.4
86.09701	52.1
91.05475	0.8
93.07037	2.8
95.08604	1.6
98.98444	4.1
99.17953	0.6
104.10736	100.0
107.08609	1.0
119.08591	1.0
121.10203	0.6
124.99995	31.2
182.33180	0.6
184.07329	98.6
185.07623	1.1
258.11023	1.4
262.10504	0.7
281.57483	0.7
335.25656	0.9
383.71899	0.7
494.74057	0.7
500.31317	8.6
518.32373	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	519.2354
Annotation	Gln Trp Trp
Peak:m/z	Relative Intensity
51.59684	0.6
51.76136	0.7
55.01844	0.9
55.05501	2.0
58.05888	0.7
67.05501	2.9
69.03426	0.9
69.07049	1.5
69.93014	1.5
69.93426	2.6
72.74401	0.6
79.05494	1.8
81.03408	1.6
81.07040	3.4
85.02887	1.0
91.05482	2.3
93.07036	2.4
95.04958	1.1
95.08595	2.6
97.10150	0.8
102.53986	0.8
105.07024	2.6
107.04971	1.0
107.08578	1.8
109.10153	1.7
119.08578	2.5
121.06479	0.9
121.10135	1.9
123.11644	0.9
133.06500	1.1
133.10063	0.9
135.11736	1.0
137.05998	2.7
137.09602	1.0
139.16104	0.8
145.10083	1.5
157.10225	0.8
159.77287	0.8
167.05557	1.6
216.23131	0.7
249.36201	0.7
267.09027	0.9
270.91104	0.9
285.09973	1.1
299.06073	1.9
377.76840	0.8
519.23517	100.0
520.23981	3.5
532.61053	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.324
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.8
60.07882	0.4
60.08161	6.2
67.05486	0.6
69.37874	3.5
71.07365	3.3
71.23310	0.4
75.47421	0.3
79.05498	0.7
81.07056	0.8
86.09702	32.6
95.08596	0.6
98.98470	2.9
104.10738	3.3
107.08543	0.4
124.99998	23.6
184.07333	100.0
185.07771	0.7
217.26176	0.4
306.60150	0.4
331.95111	0.4
353.24799	0.4
365.87042	0.4
375.61575	0.4
389.72113	0.3
500.31183	1.0
518.32324	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.4
55.05501	5.4
57.03432	6.9
59.05024	2.8
61.02918	3.9
67.05498	4.4
69.03426	13.9
69.07079	2.2
70.06584	1.4
71.04980	4.8
71.87472	1.4
73.02914	12.0
79.05484	6.9
81.03412	2.9
81.07047	6.2
83.04976	3.5
85.02907	20.9
85.06536	2.9
87.04479	2.0
91.05462	10.7
93.07060	7.5
95.04951	4.4
95.08569	4.6
97.02890	10.6
97.06504	1.9
98.20782	3.5
99.04424	1.9
103.05440	1.6
105.07024	21.9
107.04987	1.8
107.08589	14.4
109.02903	1.9
109.06522	4.9
109.10148	2.6
109.44144	1.5
111.08120	1.7
112.49799	1.4
115.03928	5.4
117.07019	4.1
119.08570	31.4
121.06542	1.6
121.10139	12.1
123.08041	4.7
123.11716	1.8
125.09601	2.2
125.88579	1.8
127.03918	6.4
128.06168	2.5
129.07022	2.3
130.75218	1.5
131.08560	15.2
133.04984	2.9
133.10110	10.8
135.08051	29.3
135.11713	6.9
137.05980	9.1
137.09586	4.3
141.06975	3.3
143.08549	15.2
145.04936	4.1
145.10109	12.4
147.08026	23.7
147.11693	19.6
149.09595	9.7
151.07571	1.8
153.01814	6.0
156.09354	25.9
159.11696	3.0
161.13234	8.7
163.03937	1.7
163.11128	2.3
165.09125	5.1
165.12727	2.0
167.06985	1.5
171.11682	45.2
174.10362	2.8
175.14890	2.9
178.04982	1.5
185.84831	1.5
189.12737	34.9
206.04489	2.0
207.13795	100.0
208.14203	1.5
223.06071	1.5
223.35715	1.4
247.46420	1.6
248.84050	1.5
299.06110	3.0
383.74283	1.6
386.17990	2.0
481.90201	1.8
518.30292	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3888
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03934	2.7
55.01857	1.9
55.05511	17.0
55.38206	1.4
57.03426	3.8
57.07077	3.7
57.79825	1.5
65.03944	2.1
67.05502	39.9
69.07062	20.3
70.11624	1.4
71.04989	3.0
71.57420	1.5
78.56406	1.5
79.05483	28.9
81.07048	42.5
83.04974	3.1
83.08604	7.4
85.06535	2.5
91.05473	23.7
93.07037	34.8
95.04984	4.4
95.08600	33.3
97.06522	4.3
97.10177	4.6
105.07028	31.3
107.08598	20.2
109.10148	14.6
111.08103	3.1
117.07008	11.1
117.50142	1.7
119.08566	27.9
119.09348	2.0
121.10133	19.7
123.08063	2.4
123.11732	4.1
125.09618	2.8
129.06992	5.2
131.08556	19.2
133.10126	23.6
135.11690	11.5
137.09676	2.4
143.08553	7.9
145.10117	20.3
147.11662	14.2
149.13272	8.5
155.08586	4.7
157.10059	7.3
159.11691	15.5
161.13214	7.9
163.11171	1.6
163.14833	2.8
167.08495	1.5
169.10197	2.8
171.11688	9.3
173.13298	9.6
175.14893	4.4
177.16461	2.0
183.11646	2.0
185.13274	7.0
187.14850	6.0
189.16362	2.2
191.14429	1.6
197.13208	1.7
199.14865	6.7
201.16414	3.5
213.16574	2.3
225.16342	1.9
227.18088	2.2
241.17892	3.8
245.19040	1.8
259.20712	2.9
275.20071	2.4
299.23737	1.9
301.25204	2.2
303.23242	2.3
313.25211	3.4
315.23172	1.9
333.24426	1.8
383.29947	1.5
405.30154	2.9
407.33240	5.2
419.31479	2.4
425.34204	17.8
426.95340	1.6
443.35379	9.0
455.35312	1.5
461.36371	1.8
499.37827	21.4
517.38910	100.0
518.39105	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	517.3887
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
55.01878	2.5
55.05514	21.3
57.03431	6.7
57.07078	2.8
67.05500	42.8
67.05832	2.9
69.03442	2.3
69.07069	18.9
69.29731	12.9
69.30156	8.8
79.05493	31.6
81.07054	48.2
83.04979	2.0
83.08623	8.8
85.06561	4.1
91.05482	26.1
93.07046	41.4
95.04974	7.2
95.08604	40.1
97.06551	5.2
97.10171	3.9
98.20701	3.9
105.07033	34.7
107.04993	2.7
107.08595	25.0
109.06532	2.3
109.10147	18.7
109.10751	2.0
114.43008	2.0
117.07015	9.5
119.08578	33.1
121.10148	19.9
123.08097	3.5
123.11758	4.5
125.09676	2.2
129.07022	5.8
131.08572	20.3
133.10115	21.3
135.08160	1.9
135.11729	8.8
136.15932	2.2
143.08617	7.7
145.10106	26.0
147.11696	14.9
149.13301	7.2
155.08553	2.7
157.10205	6.5
159.11700	16.0
161.13300	8.2
163.14851	3.4
165.12857	2.6
169.10159	4.9
171.11740	6.9
173.13318	8.9
175.11282	2.0
175.14871	5.3
177.12801	2.1
177.16330	2.0
183.11737	3.8
185.13380	5.3
187.14871	7.7
189.16437	2.6
197.13245	1.9
199.14987	2.9
201.16461	2.4
213.16425	2.3
217.15871	2.0
226.36121	2.2
227.20088	2.3
241.17873	2.3
259.20615	3.8
313.25262	3.8
405.30319	2.6
407.28543	2.3
407.33325	6.0
425.34155	18.9
425.38354	1.8
443.35339	8.9
499.38007	23.7
517.39020	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3886
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03944	2.6
54.31941	1.9
55.05508	18.6
57.03422	3.4
57.07067	2.5
65.03937	3.0
67.05175	2.5
67.05502	32.2
69.07066	19.1
71.04983	2.3
74.38523	1.9
79.05491	30.0
81.07053	44.4
81.07525	2.5
83.04964	2.4
83.08617	7.5
91.05470	24.2
93.07043	34.4
95.04976	4.8
95.08604	32.2
97.06538	3.2
97.10163	5.9
98.20683	3.8
105.07022	30.4
107.08591	30.2
107.62991	1.5
109.10149	16.8
111.08090	2.5
117.07014	7.7
119.08578	28.0
121.10132	18.3
123.11720	5.6
129.06999	3.4
131.08565	18.9
133.10133	19.9
135.11674	12.9
137.09532	1.8
143.08574	5.1
145.10126	18.2
147.11693	14.6
149.13252	6.8
155.08519	2.5
157.10164	6.0
159.11684	15.0
161.13248	6.2
163.14864	3.8
169.10176	2.7
171.11719	7.4
173.13271	10.4
175.14830	4.7
177.16399	2.7
183.11697	4.9
185.13300	5.8
187.14822	5.7
189.16411	2.8
197.13332	2.4
199.14885	3.9
201.16412	3.7
213.16498	3.2
241.17909	2.9
259.20596	4.1
271.20786	2.0
273.22171	4.5
285.22153	1.7
287.23477	1.9
299.23788	2.6
361.27225	2.2
390.20969	1.9
407.33118	6.0
425.34338	15.2
443.35312	9.5
459.34787	1.9
499.37949	18.9
517.38837	100.0
518.39398	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	517.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.5
55.01858	10.1
55.05314	3.5
55.05510	42.6
57.03422	13.7
65.03938	5.3
67.05503	93.7
69.03411	8.4
69.07065	21.7
71.04984	12.5
71.57957	4.6
79.05064	6.4
79.05489	84.5
81.03417	60.8
81.07050	94.4
83.04974	14.4
83.08616	31.6
84.49671	3.8
85.02901	26.1
85.06548	6.5
85.10014	3.6
91.05476	100.0
93.07043	96.2
95.04954	44.7
95.08601	49.1
96.08904	3.5
97.06519	7.2
97.10140	9.2
101.20210	3.1
105.07024	63.8
107.04947	8.0
107.08585	49.6
109.06525	8.5
109.10143	21.4
111.08046	18.4
117.06996	14.6
119.08574	50.4
121.06479	6.0
121.10145	42.9
123.11678	10.5
125.09680	5.9
129.06982	13.2
131.08549	43.1
133.06447	3.7
133.10118	34.1
135.08089	3.9
135.11687	10.7
141.07016	3.9
142.07808	5.1
143.08539	7.3
145.10147	21.8
147.11668	23.3
149.09627	8.6
149.13268	7.1
157.10127	17.4
159.11693	10.3
163.11177	5.3
165.12729	6.6
171.11722	5.6
173.13254	7.7
175.11169	19.6
183.11658	4.3
187.14882	6.5
189.11230	5.1
193.12224	71.7
211.13260	65.8
233.19028	3.9
267.15945	8.3
273.22101	4.2
275.20029	5.9
285.27243	3.4
307.22983	4.3
407.29269	4.4
409.38760	3.8
443.31638	5.2
493.99118	3.4
499.33774	13.0
517.35138	91.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3885
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
50.47532	3.3
53.03909	4.3
53.10526	3.0
55.05512	24.1
56.94349	3.7
57.03420	4.7
57.07054	4.3
58.17440	3.2
59.06103	4.3
66.30104	3.0
67.05502	54.5
69.07061	20.6
69.32114	12.4
69.32539	23.7
71.04939	5.1
79.05486	34.7
80.12891	3.5
81.07053	61.6
83.04994	4.4
83.08607	11.4
91.05489	30.4
93.07040	38.7
95.04958	6.9
95.08593	41.9
97.10186	6.4
98.21609	4.0
105.07007	22.8
107.08607	24.9
109.10148	22.7
117.07021	9.7
119.08556	25.2
121.10136	17.7
123.11683	7.5
129.07031	5.1
131.08574	13.6
133.10147	32.4
135.11674	20.8
143.08553	5.3
145.10118	15.4
147.11676	13.2
147.12827	3.2
149.09532	4.4
149.13251	8.7
157.10123	7.6
159.11688	16.1
161.13286	8.8
163.14809	5.4
171.11636	6.3
173.13272	10.9
175.14821	5.2
187.14897	5.2
199.14650	4.5
215.50482	3.7
231.27226	3.8
259.20477	5.5
339.06244	4.3
425.34106	13.6
443.35135	9.0
499.37766	17.1
517.38733	100.0
518.39093	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	517.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	4.7
53.03938	9.2
55.01863	7.2
55.05505	33.9
57.03413	5.8
59.04971	5.1
67.05186	5.5
67.05507	71.4
69.07058	22.0
69.07397	5.2
70.49696	11.5
71.04995	8.1
79.05498	100.0
81.03417	38.7
81.07059	75.7
82.88255	5.1
83.04959	17.9
83.08614	29.2
85.02890	20.0
91.05488	71.5
93.07041	77.7
95.04975	35.6
95.08601	39.9
97.06559	7.4
97.10178	11.0
97.87315	5.4
98.20775	5.7
105.07040	46.8
107.04967	8.9
107.08615	29.7
109.06566	7.1
109.10133	25.4
111.08074	16.2
117.07028	12.0
119.08568	31.2
121.10136	53.6
123.08057	7.8
123.11725	5.6
125.09638	6.2
129.06999	14.1
131.08565	25.2
133.10132	33.0
135.11662	13.2
143.08432	6.6
145.10109	17.1
147.11664	23.0
149.13251	6.4
155.08536	6.2
157.10117	10.0
159.11681	12.1
161.13173	6.8
171.11684	6.2
173.13275	10.2
175.11174	13.7
184.34370	5.0
185.13280	4.6
193.12248	52.5
211.13272	44.2
215.17854	9.7
220.62621	4.7
231.79051	5.4
273.61395	5.2
329.44156	5.1
499.33987	11.0
517.35193	90.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.3
53.72249	3.9
55.01863	12.9
55.05266	7.2
55.05509	96.9
57.03413	6.1
57.07063	5.9
58.27996	6.0
67.05504	58.5
68.71105	3.7
69.03422	20.8
69.07069	49.2
69.53545	3.8
71.04997	22.4
71.57150	5.4
79.05489	45.6
81.03408	19.1
81.07049	66.0
83.05002	6.3
83.08615	98.9
85.02905	36.8
85.06548	13.7
86.09697	5.3
87.08099	5.9
91.05473	76.3
93.03374	4.7
93.07040	73.6
95.04964	20.5
95.08604	36.3
97.02868	16.1
97.06509	12.8
97.10194	5.0
99.04383	4.8
99.08078	10.3
103.05435	7.5
105.03388	8.6
105.07040	47.8
107.04970	4.9
107.08579	18.8
109.02818	5.6
109.06507	11.1
109.10157	10.1
111.08083	34.2
115.05453	5.7
116.06234	5.0
117.07007	25.8
119.04975	5.5
119.08541	27.0
121.06489	7.9
121.10156	9.6
127.03914	10.1
128.06189	6.4
129.06992	17.1
129.09111	16.8
130.52554	4.6
131.04884	6.2
131.08553	45.7
133.06442	10.1
133.10123	34.7
135.08064	7.9
135.11676	6.2
137.06007	9.6
137.09581	4.1
141.06993	8.2
143.08571	14.3
145.06473	16.2
145.10124	23.8
147.08031	13.2
147.11604	6.4
151.11174	13.0
153.01791	11.7
155.08542	6.3
157.06444	6.6
157.10095	10.1
159.08116	9.9
159.11691	6.8
161.09505	5.6
161.13272	9.4
169.10176	5.6
169.12189	23.1
171.07974	6.5
171.11665	11.1
173.13249	20.9
179.14088	5.4
185.09689	5.5
185.13251	6.2
191.14354	12.4
203.14351	6.2
209.13123	4.1
213.12735	8.3
231.13742	6.6
264.16953	4.1
275.09045	4.7
289.21548	13.8
301.21701	17.8
307.22864	9.3
315.00793	3.9
319.22678	82.3
337.23672	53.8
355.24796	100.0
397.32376	4.3
517.22980	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	517.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.8
55.01866	11.6
55.05512	82.5
57.02283	2.4
57.03436	5.6
58.64344	2.3
61.08865	2.7
65.03934	7.2
67.05502	34.6
67.96419	2.2
69.03426	13.4
69.07069	40.4
69.89144	14.6
71.04974	17.6
79.05096	3.9
79.05492	23.9
81.03422	12.0
81.07050	43.0
83.04996	2.9
83.08618	100.0
85.02901	19.3
85.06554	15.7
87.08092	3.5
91.05483	51.4
93.03416	4.5
93.07048	57.8
95.04963	16.9
95.08612	22.8
97.02895	5.2
97.06539	9.2
98.20845	4.3
99.08089	4.8
103.05497	4.1
105.03420	6.4
105.07027	33.9
107.04945	3.8
107.08598	19.7
109.02871	3.4
109.06522	7.6
109.10162	9.1
111.08077	30.7
115.05435	4.4
117.06997	14.1
119.04971	4.3
119.08593	14.8
121.06493	7.4
121.10154	5.4
123.08082	3.6
125.05931	2.5
127.03941	6.4
128.06232	3.7
129.07010	9.0
129.09102	20.8
131.04962	2.6
131.08549	25.0
133.06471	3.8
133.10126	27.0
135.08054	4.6
135.11723	5.3
137.05984	5.3
137.09604	4.2
143.08546	8.2
145.06496	4.3
145.10138	14.9
147.08041	4.1
147.11682	6.5
149.09637	4.2
151.11160	11.9
153.01851	10.1
155.08563	3.7
157.10150	5.3
159.08102	4.0
159.11693	8.4
161.13263	8.3
169.12268	11.8
171.11687	6.6
171.13837	6.6
172.11926	2.6
173.13272	11.4
185.13287	4.7
187.13255	3.3
189.12703	4.8
191.14363	3.9
202.05710	2.6
209.15302	3.1
213.12904	3.5
217.12297	3.3
229.06062	2.9
274.32513	2.8
289.21741	5.0
301.21622	6.9
307.22668	7.2
319.22662	38.7
334.61856	3.2
337.23691	40.6
355.24911	22.6
373.10428	2.8
461.61755	2.6
517.23395	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	517.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99272	1.9
51.19560	2.4
55.05504	6.4
57.03425	2.1
62.66188	2.2
65.03948	2.0
65.73242	2.1
67.05531	5.8
69.03429	6.3
69.07061	6.2
69.24499	28.6
71.04984	3.0
71.33007	2.2
79.05498	7.2
81.03423	6.9
81.07066	9.2
83.08627	2.6
85.02900	4.5
91.05477	14.7
93.07045	7.5
95.04961	4.7
95.08612	8.3
97.02861	2.8
97.06496	3.0
99.04494	2.4
105.07043	7.5
107.04905	2.9
107.08590	12.5
108.08134	2.5
109.02914	3.6
109.06499	3.2
109.10163	7.2
117.07025	2.1
119.04923	12.7
119.08567	4.3
121.10120	6.6
125.09644	2.5
127.03908	4.6
129.07027	3.2
133.10138	25.6
135.08128	2.7
135.11739	3.6
137.05978	7.8
137.09630	16.0
143.08580	2.5
145.10132	4.1
147.03230	4.9
147.04408	100.0
149.09593	4.0
149.13362	3.3
150.09077	10.5
190.05113	2.8
191.14381	6.4
192.31709	2.4
287.67087	2.7
291.08536	2.5
309.09506	5.4
326.39413	2.5
363.11975	2.2
381.03180	2.6
485.15839	3.7
517.17834	3.9
517.24878	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	516.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01630	8.5
55.01860	35.6
55.05507	14.6
57.03425	9.3
60.49008	7.9
65.40961	7.7
67.05494	34.9
69.03442	18.7
69.07076	11.5
70.87019	17.0
79.05488	42.7
81.03419	13.3
81.07053	92.2
83.04958	13.6
84.42643	8.6
85.02895	19.2
86.30894	8.2
91.05480	60.1
93.07032	79.3
93.94508	8.1
95.04955	16.1
95.08600	33.1
97.02882	10.3
105.07047	40.8
107.04964	10.6
107.08574	29.2
108.67014	9.0
109.02876	25.1
109.06525	28.2
109.10172	19.8
109.17696	8.6
117.07014	11.6
119.08598	44.3
121.10144	31.6
123.08162	9.5
123.11658	20.2
125.09622	9.2
127.03893	7.8
131.08539	11.8
131.55940	7.3
133.10129	30.5
135.11703	9.4
137.05949	40.8
143.08521	14.6
145.05046	7.9
145.10092	19.0
147.08047	100.0
147.11716	24.3
149.09605	18.6
151.11177	20.9
153.01764	14.6
157.10107	15.2
159.11641	16.2
161.13287	22.2
163.11218	9.8
165.09137	18.7
167.10754	9.3
168.06430	8.3
183.11761	11.3
185.13203	9.8
189.97072	8.6
227.17664	10.8
283.20587	26.7
301.21637	44.0
319.22668	66.9
337.23734	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	516.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.3
55.05516	9.1
67.05503	23.6
69.03433	15.7
69.07056	15.6
71.04974	3.4
71.57883	6.0
79.05493	18.7
81.03418	8.3
81.07053	64.1
83.04967	4.5
83.08640	5.0
85.02921	19.5
85.06488	3.6
91.05485	21.0
93.07050	72.7
95.04975	11.6
95.08607	35.4
97.02912	6.6
97.06535	6.8
105.07043	38.4
107.08605	34.4
109.02904	8.8
109.06548	6.5
109.10141	23.7
111.08090	6.5
117.03320	5.5
117.06329	3.2
119.04907	3.6
119.08578	35.2
121.02989	3.7
121.06470	3.4
121.10139	39.0
122.12968	3.3
122.80834	3.5
123.04463	3.5
123.08099	9.5
123.11689	32.3
127.03925	4.1
129.07053	5.4
131.08603	10.2
133.10118	38.5
135.08017	9.9
135.11687	11.6
137.06029	4.2
137.09602	6.7
143.08563	8.4
145.02863	11.7
145.10127	20.8
147.11722	18.9
149.09642	19.5
149.10651	3.6
151.11102	22.7
153.01833	11.0
157.10156	16.3
159.11693	24.5
161.13243	17.8
163.03941	5.0
163.11192	17.5
167.10666	11.0
169.10172	5.7
171.02820	3.5
171.11751	9.5
173.09569	3.7
173.13307	8.6
175.11241	7.8
177.05490	20.0
177.12747	4.0
179.10707	4.1
179.14366	5.5
183.11719	5.7
185.13275	9.3
187.14876	4.8
189.12805	6.3
193.15979	3.3
197.13271	4.2
199.14758	5.6
203.14320	3.4
205.12312	3.5
207.13721	5.2
211.14871	4.3
213.16312	5.8
218.15666	3.6
225.16365	11.2
241.15837	4.6
243.17601	10.5
255.21173	12.9
261.18448	4.7
265.19531	12.7
273.22235	4.1
283.20560	32.4
301.21634	65.6
313.81570	4.3
319.22684	100.0
337.23694	41.5
372.11816	5.8
373.12219	8.8
510.63260	4.0
516.31409	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	516.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76706	6.1
55.05512	21.4
67.05495	26.2
69.03419	23.4
69.07053	15.9
69.97570	14.6
69.97975	22.9
71.04976	6.7
79.05489	25.1
81.03419	13.9
81.07060	72.9
83.04984	9.8
85.02907	57.7
85.06481	6.8
91.05465	23.9
93.07047	49.1
95.04968	12.4
95.08595	49.2
95.44259	6.9
97.02886	18.0
97.06523	9.5
97.10155	20.4
98.20755	9.2
99.04471	7.6
105.07034	45.8
107.08617	52.9
109.02857	26.2
109.06508	9.0
109.10145	33.3
111.08051	7.6
117.07034	10.8
119.08566	55.4
121.10162	44.0
123.08063	11.3
123.11682	16.7
125.09623	22.3
127.03912	15.1
131.08531	20.4
133.10130	31.7
135.07918	8.4
135.11687	23.8
135.38565	6.1
137.09584	14.0
145.04933	13.0
145.10121	39.6
147.11690	68.3
149.13260	79.5
151.11104	10.1
153.01758	7.8
153.08588	6.5
157.10127	9.8
159.08084	8.0
159.11697	23.0
161.06039	8.7
161.13252	22.9
167.07076	8.5
171.11679	11.5
173.13252	23.9
175.14830	20.7
177.16542	7.0
180.08672	15.5
185.13274	13.4
187.14819	29.0
191.14336	8.6
193.12271	35.9
199.14810	15.9
213.16441	8.1
221.15527	14.1
229.19507	16.1
231.13794	9.2
245.15323	9.3
255.20995	69.1
273.22147	100.0
291.23215	77.8
301.21552	39.3
319.22528	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.6
55.01861	4.1
55.05508	19.4
57.03429	3.2
57.07059	3.5
65.03921	3.9
67.05499	56.4
67.75426	1.7
69.07063	18.8
70.28881	6.9
71.04994	2.8
77.03925	2.0
79.05486	46.4
81.03407	3.8
81.06579	3.2
81.07054	47.3
83.04969	8.2
83.08608	8.8
85.06527	3.8
91.05475	31.6
93.07037	54.2
95.04955	9.0
95.08601	28.2
97.06545	6.8
97.10169	6.4
105.07027	28.4
107.08581	35.2
109.06452	1.9
109.10152	14.8
109.28406	1.9
111.08103	5.9
117.06982	10.4
119.08560	19.9
121.10125	18.7
123.11668	2.3
125.09621	3.4
129.07001	6.6
131.08569	22.1
133.10126	17.2
135.11684	31.7
137.09477	2.7
141.06943	3.1
143.08519	9.3
144.09311	2.1
145.10112	19.1
147.11690	5.4
149.13272	4.3
155.08568	5.0
157.10175	8.2
159.11699	13.3
161.13303	4.1
163.11154	3.6
167.88014	1.9
169.10094	3.0
171.11732	5.8
173.13283	9.9
181.10051	2.1
181.12271	5.4
183.11681	3.9
185.13281	5.2
187.14845	4.0
197.13351	3.7
199.14960	2.1
201.16420	2.5
203.21417	2.0
209.13333	2.4
211.14928	2.7
222.81828	1.9
261.22113	3.6
405.31549	3.2
423.32596	11.9
441.33643	4.3
443.63925	2.1
451.25601	2.3
497.36075	5.6
515.37305	100.0
516.37701	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	515.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.4
53.03951	6.4
55.01855	4.1
55.05507	21.7
57.03426	8.3
57.07059	3.6
65.03934	4.1
67.05501	59.2
69.07063	16.4
70.16551	5.1
71.01333	1.7
71.04986	4.4
77.03922	1.5
79.05490	54.4
81.03403	3.5
81.07051	44.7
83.04972	6.7
83.08611	5.7
85.06535	3.0
91.05476	33.0
91.06016	2.4
93.07039	60.4
95.04976	8.7
95.08603	32.0
97.06522	7.0
97.10168	6.4
99.08086	2.2
105.04511	1.7
105.07027	24.2
107.04967	1.4
107.08585	32.9
109.06519	3.2
109.10152	13.6
111.08078	1.5
115.05354	1.6
117.07005	13.9
119.08576	20.1
121.06481	1.7
121.10133	19.4
123.11722	4.2
125.09594	2.1
128.70451	1.1
129.07007	4.6
131.08572	18.5
133.10123	13.4
135.11676	36.6
136.12027	1.3
141.06885	1.4
143.08543	8.4
145.10118	19.3
147.11652	8.0
149.09598	1.1
149.13277	3.0
155.08536	2.4
157.10141	7.4
159.11687	8.6
161.13260	5.6
163.11212	4.3
167.08488	1.2
169.10172	2.6
171.11629	5.8
173.13248	8.3
177.12585	1.5
181.10065	2.1
181.12256	5.0
183.11722	3.0
185.13258	3.5
187.14857	3.8
195.11775	1.4
197.13344	2.5
199.14850	3.5
209.13260	1.9
211.14803	1.9
213.16248	1.7
243.21007	1.5
261.22113	3.7
271.20724	1.1
285.22281	1.4
331.22705	1.2
405.31491	3.2
423.32578	11.3
441.33609	3.4
459.34604	2.3
497.36218	3.3
515.37299	100.0
516.37762	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	515.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.01863	4.2
55.05509	18.7
57.03436	8.2
57.07076	5.0
57.71961	1.5
60.41797	1.6
65.03927	4.2
67.05505	58.1
69.07056	16.4
71.04974	1.8
72.41282	1.7
78.34102	1.5
79.05490	46.8
79.43515	1.6
81.03449	4.0
81.07052	47.2
83.04978	7.3
83.08608	6.6
85.06530	2.8
88.12637	1.5
91.05480	36.5
93.07040	56.7
95.04971	9.0
95.08594	24.1
97.06538	10.1
97.10162	6.4
105.07033	20.8
107.08591	30.8
109.10144	11.6
111.08061	3.4
117.07009	10.5
119.08554	17.4
121.06472	2.2
121.10154	20.2
123.11663	4.5
129.06984	5.9
131.08553	19.0
133.10112	12.4
135.11684	40.4
143.08574	7.0
144.62411	1.7
145.10117	20.7
147.11678	7.0
149.13351	4.2
155.08554	3.7
157.10149	6.5
159.11703	11.8
161.13243	3.5
163.11221	5.2
166.54518	1.6
169.10208	2.5
171.11674	5.2
173.13272	9.6
175.14986	2.0
181.12250	4.0
183.11650	2.8
185.13223	3.9
187.14836	5.6
197.13290	2.6
199.14786	1.8
201.16411	2.3
225.50945	1.6
261.22119	3.4
294.98349	1.8
339.54996	2.0
371.15390	2.1
405.31647	2.7
423.32285	9.8
439.39102	2.0
441.33594	5.3
497.36005	4.9
515.37317	100.0
516.37463	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	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.0
55.05505	29.5
57.03418	14.1
67.05506	100.0
69.03419	17.3
69.07058	23.8
70.29424	6.3
71.58412	10.8
79.05493	70.1
81.03413	21.1
81.07060	98.3
83.08617	17.2
85.02897	9.6
91.05466	51.4
93.07043	79.0
95.04987	19.2
95.08590	78.0
104.17998	6.7
105.07013	50.5
107.04973	9.7
107.08609	45.4
109.06493	10.5
109.10150	30.2
113.09695	8.6
117.07008	21.4
119.08585	31.1
119.76549	6.9
120.16426	6.9
121.06525	9.4
121.10129	43.3
123.11699	14.3
129.07001	13.1
131.08580	35.6
133.10143	22.2
135.11685	28.0
143.08540	11.4
145.10118	26.4
147.11699	21.9
149.13243	28.3
157.10071	9.4
159.11711	27.7
161.13336	13.7
162.75914	6.5
163.14868	8.2
171.11620	10.2
172.61076	7.3
173.13275	14.3
182.19215	7.2
187.14763	11.6
209.13390	7.4
240.77840	7.4
243.21094	17.5
261.22183	40.1
275.55966	7.8
335.25671	13.4
345.24109	8.3
350.57907	7.6
353.27002	13.7
386.76968	8.4
515.36810	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.7
55.01861	5.9
55.05502	23.1
57.03438	14.3
57.07070	6.6
65.70802	6.0
67.05505	76.9
69.03413	6.4
69.07059	21.5
71.57731	12.8
79.05489	51.2
81.03414	19.7
81.07059	100.0
83.04964	10.7
83.08620	17.6
85.02895	13.3
91.05477	36.5
93.07025	61.8
95.04964	14.1
95.08601	60.5
97.02898	11.2
97.06541	7.3
105.07036	34.0
106.50809	5.6
107.04961	7.7
107.08614	38.0
107.66431	6.0
109.06528	12.4
109.10152	30.1
117.07014	12.7
119.08577	26.6
121.06505	8.2
121.10172	28.2
123.08028	6.4
123.11752	15.5
129.06989	9.4
131.08549	22.7
133.10130	22.1
135.11691	21.5
137.13190	5.9
143.08565	10.6
145.10106	22.1
147.11664	15.5
149.13260	12.7
157.10117	6.6
159.11678	14.0
161.13223	15.4
163.14818	7.4
169.10213	6.2
173.13284	10.5
185.13261	6.9
187.14749	5.9
243.21272	6.4
257.15460	6.0
261.22150	26.1
335.25720	14.8
345.24380	8.6
353.26846	9.8
405.25824	7.0
421.02066	6.1
443.28720	6.3
515.26025	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	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	14.8
55.05507	28.8
57.03428	13.6
57.07059	7.7
67.05501	100.0
69.03424	12.6
69.07063	30.6
69.32626	55.5
69.33050	24.4
71.05009	10.6
72.78472	8.0
73.02911	10.2
77.67953	7.3
78.84619	6.9
79.05475	60.1
81.03417	16.1
81.07044	98.0
83.04987	8.3
83.08603	11.6
85.02876	7.4
85.06484	8.3
91.05480	47.0
92.35216	8.3
93.07047	74.3
95.04959	27.1
95.08600	78.6
98.21460	15.2
99.08132	7.0
105.06382	8.9
105.06988	40.4
107.08597	48.5
109.06528	7.1
109.10180	42.1
117.07026	12.2
119.08611	28.1
121.10124	37.4
123.07996	8.7
123.11743	13.1
123.27005	8.5
124.80915	7.5
127.03874	9.5
131.08557	35.3
133.10129	26.5
135.11687	28.1
145.10138	32.2
147.11734	12.4
149.13297	18.4
150.50551	7.5
153.01804	18.2
159.11703	19.1
161.13266	12.0
163.14833	14.6
175.14743	7.8
243.21121	25.4
261.22153	59.1
306.27826	17.1
335.25873	13.8
515.37231	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	515.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	10.1
55.05502	36.1
57.44445	7.0
61.27132	7.9
67.05502	100.0
67.84471	8.8
69.07056	26.9
71.59105	12.5
79.05499	76.3
81.03408	11.0
81.07056	95.2
83.08605	14.5
85.02930	12.7
88.34753	9.4
91.05464	55.0
93.07042	84.3
95.04970	24.7
95.08603	77.2
97.06532	12.0
105.07038	33.5
107.08582	37.5
109.10151	39.1
112.95285	8.3
117.06993	26.7
119.08588	45.8
121.10165	46.6
123.11684	13.6
129.06982	14.6
131.08594	40.3
133.10152	45.4
135.11713	27.4
137.49072	7.9
139.31065	7.8
141.58211	8.0
143.08562	10.2
145.10104	40.0
147.11691	26.9
149.13289	16.2
149.19940	7.8
157.10097	12.4
159.11700	34.1
161.13213	15.4
163.14886	16.2
169.10110	11.5
171.11720	14.8
173.13248	20.5
185.13173	10.7
187.14783	10.8
190.14775	7.8
209.13461	11.4
243.21097	19.1
261.22101	50.5
369.24820	12.2
515.37402	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35751	0.4
55.05511	0.6
60.04506	0.5
69.03414	0.6
71.56767	0.6
78.03284	0.4
81.03376	0.6
81.07073	0.5
85.02890	0.8
100.11242	2.1
105.52200	0.4
109.02792	0.5
109.87444	0.4
127.03894	0.5
153.01852	0.8
156.31880	0.5
160.46194	0.4
171.02977	0.5
182.07816	0.5
182.15384	0.8
213.61235	0.5
246.62500	0.5
267.41147	0.5
269.10977	0.5
337.16147	0.8
353.15707	2.8
397.42749	0.5
515.20959	100.0
516.21185	3.1
522.29706	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.1
55.01850	1.1
55.05305	1.0
55.05509	11.6
57.03420	1.2
57.07082	1.9
58.49966	1.2
59.04993	3.2
61.02916	1.2
67.05499	13.1
69.03426	3.8
69.07043	3.7
70.60519	1.9
70.60854	2.5
71.01344	3.2
71.04990	3.7
73.06538	4.1
79.01846	3.5
79.05487	9.5
81.03412	9.0
81.07053	26.4
83.04972	2.6
83.08609	3.9
85.02900	8.8
85.06528	7.0
87.04439	1.1
91.05462	5.5
93.07024	3.3
95.04951	4.1
95.08593	5.0
97.02869	4.7
97.06542	6.1
97.10186	3.1
99.71472	1.1
101.06031	2.2
105.07037	7.2
107.08601	7.2
109.02869	5.9
109.06507	6.2
109.10153	2.6
111.08083	2.0
113.05996	6.5
123.08088	2.6
123.11713	5.9
125.02321	3.7
125.09617	4.2
127.03915	6.6
133.10110	4.9
137.06015	1.2
137.09685	2.5
139.11185	1.4
143.03391	5.4
151.11180	3.0
153.01820	83.6
165.12767	7.5
169.12228	1.5
171.02888	7.6
183.13803	12.0
197.98260	1.1
201.14847	100.0
202.15155	1.5
229.77980	1.0
242.61674	1.2
297.06003	2.8
299.19974	1.2
300.20450	1.3
315.07263	5.3
317.21002	1.3
318.21387	3.6
336.22534	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05528	5.6
53.03931	7.6
55.05511	29.5
57.03437	29.9
67.05496	79.6
69.03410	8.7
69.07071	28.1
71.05002	8.1
71.58222	11.4
72.74577	5.2
79.05495	50.4
81.03424	62.4
81.07055	100.0
83.04960	16.3
83.08621	37.8
84.61116	5.9
85.02900	21.0
91.05484	56.2
93.07040	62.0
95.04961	37.6
95.08595	33.4
97.06528	12.8
97.10131	7.6
105.07027	32.3
107.04949	10.3
107.08591	30.7
109.10163	14.6
111.08050	15.3
117.07025	8.7
119.08562	30.3
121.10142	22.6
123.11746	7.9
129.07018	14.3
131.08571	24.1
133.06464	5.7
133.10124	18.0
147.11699	13.7
149.09593	12.2
149.13243	29.2
157.10097	15.8
159.11632	6.4
175.11186	19.0
193.12263	49.3
195.13864	11.7
211.13292	79.9
267.15921	24.4
269.17484	83.4
285.17004	64.6
394.48969	5.9
461.29001	36.2
479.30099	54.6
510.28195	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	514.301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	2.2
53.03939	4.0
54.83514	1.8
55.01874	2.5
55.05507	6.2
55.88335	1.6
57.03442	2.8
67.05496	6.2
69.03431	14.2
69.07062	3.8
71.04993	4.5
71.49509	3.1
79.05485	19.8
81.03406	8.1
81.07055	20.1
85.02896	14.2
91.05476	26.3
93.07040	100.0
95.04945	8.0
95.08587	10.5
97.02890	5.7
97.06526	5.5
99.04451	7.3
105.07028	31.5
107.05002	2.9
107.08588	42.8
109.02869	5.3
109.06532	7.5
109.10153	8.7
111.08070	3.9
114.05505	1.5
117.07026	5.0
119.08575	21.4
121.06508	24.7
121.10138	74.8
123.08077	5.5
123.11713	6.3
125.09611	2.2
127.03907	7.1
129.06960	3.4
131.08545	14.7
132.09372	2.1
133.10120	23.1
135.08020	11.6
135.11649	3.0
137.09590	3.6
139.07529	2.3
142.07771	3.6
143.08542	10.0
144.09300	2.7
145.05005	2.3
145.10130	18.5
147.08052	2.6
147.11710	9.0
149.09619	50.5
149.13158	2.0
151.11140	3.9
153.09088	1.8
155.08499	3.3
156.09332	4.2
157.10112	20.0
159.08037	2.8
159.11684	18.9
161.09625	5.5
161.13173	9.2
163.11125	2.5
167.10678	8.7
169.10149	5.8
171.11662	9.9
173.09599	3.0
173.13216	5.4
175.11185	5.8
175.14830	2.1
177.09128	9.2
177.12726	3.2
181.10199	2.5
182.10950	2.6
183.11652	8.6
185.13263	7.1
187.11137	3.2
189.12656	2.3
193.19490	1.7
195.10179	8.6
195.11739	3.7
197.13229	8.8
199.14822	5.4
201.12703	1.7
201.16393	3.6
203.14339	8.9
205.12292	2.3
209.13329	3.4
211.14839	7.7
213.12827	3.5
213.16373	4.6
215.14415	3.2
217.12289	1.7
223.14891	4.0
224.68239	1.8
225.16420	8.8
227.14308	4.0
239.14343	4.0
239.17992	2.1
241.15930	4.6
243.17441	4.4
245.15338	3.0
253.19528	10.9
257.19022	1.9
259.16916	2.1
263.18054	3.3
271.20496	11.4
281.19012	16.5
287.20184	2.4
299.16629	2.6
299.20044	52.0
317.21103	64.7
318.21664	1.9
354.03445	2.0
461.25363	5.2
479.26361	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65345	10.0
55.05495	43.2
57.03438	24.0
60.69941	11.2
67.05496	79.9
68.05845	13.2
69.07056	26.5
69.74924	9.6
71.58938	21.7
78.89311	12.0
79.05495	55.5
81.03417	65.9
81.07054	100.0
83.04967	19.6
83.08607	33.7
85.02910	19.1
91.05488	57.5
93.07049	58.6
95.04943	18.3
95.08609	26.3
97.06506	16.0
101.34519	8.6
105.07026	38.7
107.08601	35.8
109.10150	26.5
111.08062	17.1
117.07025	25.4
119.08603	20.8
121.06487	13.7
121.10147	17.9
129.07013	14.3
131.08531	27.3
133.10114	25.3
139.56795	12.3
145.10133	13.5
145.19814	9.7
147.11682	15.7
149.13243	28.0
157.10150	18.8
159.11694	18.7
193.12263	46.1
195.13759	17.0
211.13289	62.6
267.15915	20.2
269.17514	74.2
285.17001	57.7
343.26590	11.3
430.94177	11.6
443.32303	9.9
461.29080	27.8
479.30130	58.8
479.90930	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.306
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
51.41001	3.3
52.32952	3.7
53.03939	6.3
55.01855	4.5
55.05502	20.3
57.03435	10.8
57.07052	4.3
58.69581	3.6
61.02906	14.1
67.05502	49.7
69.03425	7.1
69.07056	13.5
70.18417	17.6
71.04955	4.9
73.02892	7.1
79.05495	36.0
81.03412	14.5
81.07052	53.1
83.04958	5.3
83.08605	7.4
85.02917	16.7
91.03965	5.8
91.05489	35.9
92.20985	3.2
93.07046	46.7
95.04952	6.4
95.08607	26.7
97.02872	11.1
97.06523	4.4
97.10184	4.4
98.21424	4.7
99.04452	4.6
105.07021	39.1
107.08578	33.2
109.06511	4.1
109.10143	14.7
110.08344	3.2
111.08068	4.8
117.07025	10.9
119.08588	31.7
121.10158	20.9
124.57588	3.5
125.09581	4.3
129.07008	10.3
131.08589	17.2
133.10138	27.7
135.11705	18.6
143.08517	5.7
145.10130	16.5
147.11697	19.9
149.13275	20.7
157.10153	6.9
159.11649	10.3
161.13272	24.8
171.11732	9.1
173.13257	7.1
175.11165	4.6
175.14822	11.0
175.19447	3.6
177.12701	5.8
185.13326	6.8
195.13484	3.6
199.14890	5.7
211.13297	6.6
224.99413	3.5
241.19588	20.9
259.20526	48.6
271.20282	3.5
277.21671	4.7
333.24280	10.4
351.25269	100.0
423.26785	4.3
477.28708	4.3
495.29343	8.9
513.29883	4.5
513.50867	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	514.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83243	0.8
53.03935	3.1
55.01870	28.4
55.05495	2.1
65.03928	2.1
65.90186	0.8
67.05497	2.6
68.61002	0.7
69.03416	5.4
70.06590	2.0
70.22343	3.6
73.02918	6.2
79.01851	2.3
79.05066	1.5
79.05489	18.2
81.03413	8.4
81.07040	1.0
83.04978	10.0
85.02892	3.1
91.05476	65.0
93.07036	3.3
95.04953	4.9
97.02875	4.5
99.04478	1.1
103.05447	4.3
105.03333	1.3
105.07024	12.4
107.04980	4.6
107.08597	4.5
109.02871	4.2
115.05444	2.5
117.07011	12.7
119.04942	3.8
119.08580	22.0
121.06474	2.2
125.02338	2.8
127.03924	5.2
128.06213	3.9
129.07001	6.8
132.05698	3.7
134.07278	0.9
135.08000	2.8
137.05965	3.5
143.03429	4.1
145.06430	1.9
147.08040	100.0
148.08409	1.2
153.01825	65.3
165.09120	18.3
171.02913	6.8
179.71274	0.9
186.44395	0.9
221.08551	0.9
297.06024	5.1
315.07083	6.5
324.97794	0.9
353.13544	1.0
429.68631	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.5
55.05511	23.2
57.03427	8.7
61.02917	15.0
66.90916	3.1
67.05500	52.1
69.03414	11.1
69.07064	12.0
71.04977	3.7
71.58007	3.0
71.58400	4.9
73.02898	7.0
75.94933	3.7
79.05495	42.3
81.03443	4.3
81.07049	48.9
83.04989	6.1
83.08620	11.2
85.02897	20.1
87.43007	3.4
91.03957	5.6
91.05477	35.8
93.07039	51.8
95.04962	8.3
95.08596	38.3
97.02899	12.4
97.10187	7.3
105.07016	38.4
107.08598	31.1
109.02870	4.3
109.06513	7.0
109.10143	19.6
113.09647	4.0
117.07018	10.3
119.08586	26.1
121.10126	27.9
121.10889	4.5
123.08122	4.0
123.11744	4.1
129.05493	7.6
129.07004	10.5
131.08571	22.8
133.10114	27.6
135.11699	32.2
137.09523	3.9
143.08519	10.3
145.10095	21.1
147.11693	27.7
149.13199	16.6
157.10153	11.0
159.11699	18.9
161.09602	4.7
161.13220	22.4
163.14836	6.8
169.10168	4.7
171.11731	8.7
173.13278	9.6
175.14835	8.8
177.16333	4.0
179.14304	8.8
179.43648	3.4
183.11749	5.8
185.13297	8.7
197.13319	4.3
199.14798	5.5
199.77869	3.6
213.16429	4.4
217.19458	3.8
239.14478	5.0
241.19473	15.9
259.20584	39.5
262.95068	4.1
271.20648	4.1
277.21622	13.6
333.24390	5.5
349.23764	4.4
351.25287	100.0
391.35339	3.8
403.24451	4.4
447.23615	3.5
495.29315	6.9
513.29230	6.6
513.36438	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	513.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10177	1.4
54.33521	1.5
55.01873	16.0
55.05511	30.8
57.03436	25.9
57.07065	3.0
59.04997	3.8
65.03931	2.4
67.05505	100.0
69.03413	4.4
69.07074	14.0
69.39540	12.3
69.39944	2.5
71.04970	3.9
73.02921	8.4
73.45522	1.3
79.05495	23.9
79.40621	1.6
81.03397	7.1
81.07058	45.7
83.04994	7.8
83.08619	17.4
85.02896	5.4
85.06529	4.3
87.04502	2.1
91.05484	20.8
93.07041	25.5
95.04959	9.6
95.08616	18.6
97.06538	7.7
97.10168	11.5
101.06034	1.5
105.07030	9.2
107.08590	18.7
109.10155	61.5
111.08057	5.8
116.04703	6.0
117.06995	4.3
119.08603	11.3
121.06575	1.8
121.10163	7.9
123.08071	2.9
123.11668	4.1
125.09623	12.6
129.05484	32.9
129.07001	3.2
131.08537	7.1
133.10121	7.1
135.07938	2.1
135.11670	4.8
137.09610	3.6
143.07022	6.0
143.08569	2.6
145.10144	4.5
147.11676	5.3
149.13234	7.0
151.11134	1.7
155.08618	1.7
155.10709	3.5
157.08601	6.5
157.10159	3.7
159.11697	5.9
163.11176	1.7
169.10162	2.9
171.10185	2.2
171.11594	3.6
173.11784	16.7
173.13211	2.4
177.12770	2.5
185.11752	6.3
185.13197	1.6
188.18680	1.4
195.11760	1.6
195.13791	6.1
197.11613	1.6
211.13098	2.4
229.14348	39.6
256.26431	2.8
257.17395	2.0
266.46689	1.6
269.17413	8.5
275.19745	1.8
341.83395	1.5
396.76703	2.0
403.30075	1.7
421.31088	3.6
423.27240	17.4
441.82104	1.7
495.34799	2.4
512.50562	3.5
513.28845	7.5
513.35541	8.8
513.50616	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	513.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
53.92597	1.1
55.01671	1.3
55.01871	13.3
55.05271	1.6
55.05511	25.6
57.03154	1.4
57.03432	24.6
57.07059	3.1
59.04988	5.8
61.02918	1.4
65.03937	3.5
67.05503	100.0
67.79906	1.4
68.05836	1.3
69.03409	4.4
69.07070	15.5
71.04969	5.2
71.08610	2.6
71.58425	2.2
73.02927	7.3
79.05059	2.4
79.05487	27.8
81.03417	5.2
81.07060	49.8
83.04974	9.2
83.08616	22.2
85.02887	3.9
85.06525	5.7
87.04436	2.7
91.05481	22.7
93.07048	25.9
95.04967	7.9
95.08612	17.9
97.02868	1.7
97.06513	6.5
97.10162	13.3
99.08072	2.2
105.07033	12.8
107.04933	1.9
107.08589	15.0
109.06503	2.6
109.10154	61.1
110.10446	1.8
110.80887	1.2
111.08070	6.9
116.04710	7.7
117.07012	5.3
119.08578	12.8
121.06496	1.3
121.10117	7.4
123.08040	2.1
123.11731	2.2
125.09628	12.7
129.05479	35.3
129.06952	3.3
129.07953	1.3
131.08577	7.3
133.10139	9.1
135.08026	1.9
135.11685	5.0
137.09615	4.4
139.11127	1.3
143.07025	7.5
144.07803	1.2
145.10069	3.2
147.11656	4.4
149.09564	1.8
149.13295	7.9
155.08496	1.5
155.10648	3.2
157.08562	5.1
157.10025	3.2
159.11681	4.2
163.11211	2.7
169.10078	1.6
171.10159	1.9
172.95259	1.7
173.11752	20.9
185.11687	6.6
193.12187	1.5
195.13806	5.6
197.11760	1.9
199.13275	2.7
211.13208	2.6
229.14322	32.3
256.26382	1.8
257.17471	2.2
269.17569	8.3
283.26346	2.2
297.16995	1.8
379.51532	1.5
423.27478	16.5
471.18582	1.7
513.29272	7.4
513.35901	5.0
513.50513	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	512.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25170	0.7
53.03930	0.9
56.96553	1.2
57.03448	0.9
69.03423	5.0
71.56429	0.8
71.56766	0.9
79.01852	2.1
81.03406	8.4
83.05005	0.9
85.02448	0.8
85.02885	4.6
87.69548	0.8
97.02911	5.3
98.97603	0.9
99.04438	1.0
107.01311	1.4
109.02871	6.5
109.26018	0.7
116.98609	1.3
120.98051	0.8
125.02362	3.0
127.03923	10.1
132.45268	0.7
134.11433	0.7
134.48062	0.8
134.99577	1.0
135.04323	0.8
143.03375	4.4
145.04944	1.2
152.49451	0.8
153.01825	100.0
154.02133	1.9
163.03830	1.3
171.02899	12.7
237.02803	1.3
247.02405	1.3
279.05029	1.2
297.06116	7.0
303.01285	2.0
304.01343	0.8
315.07068	14.9
348.05377	0.8
433.03287	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.1
55.01868	21.8
55.05509	14.4
55.44869	3.3
56.96543	3.9
57.03434	14.9
58.08422	4.8
58.68229	4.9
59.05011	4.2
61.02917	8.3
67.05504	62.9
69.03420	19.9
69.07062	16.7
71.04992	28.9
71.09878	8.3
73.02927	4.9
79.05484	58.9
81.03417	15.0
81.07051	30.0
83.04980	34.6
83.08633	7.5
85.02431	6.9
85.02908	100.0
85.06534	11.2
91.03974	5.5
91.05472	17.8
91.12125	4.0
93.07037	65.8
95.04975	16.0
95.08600	21.8
97.02902	24.5
97.03448	3.4
97.06516	35.6
97.10170	5.6
99.04427	5.5
105.07015	7.0
107.08587	67.5
109.02866	11.3
109.10155	53.0
111.08086	13.1
112.70999	3.8
114.63484	3.7
124.19917	4.0
127.03917	21.4
132.40750	4.0
135.11690	85.0
145.04953	35.0
153.01848	9.2
153.12738	63.8
163.06055	12.8
171.13808	15.3
198.00436	3.6
268.80560	4.2
297.96164	4.2
315.17880	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	512.504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27258	0.7
55.05511	2.7
57.07075	18.1
58.06593	1.4
67.05506	2.6
69.07067	2.5
70.06593	14.9
71.08631	11.5
73.02905	1.3
73.72060	0.8
81.07058	3.2
83.08614	2.8
85.10182	4.9
88.07632	23.0
89.06042	0.8
93.07061	0.8
95.08594	3.5
102.09176	16.3
106.08644	0.7
109.10150	1.2
127.83836	0.7
160.47980	0.7
228.23283	4.7
256.26349	49.4
257.26785	1.0
274.27524	4.6
283.26315	56.6
284.26569	1.4
311.29483	4.1
369.59692	0.9
512.50372	100.0
513.50812	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	511.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31995	1.4
53.03941	4.9
55.01868	4.2
55.05507	22.7
57.03435	10.4
57.07074	2.2
65.03928	5.2
67.05502	74.4
69.03414	7.5
69.07056	14.6
69.26080	8.3
69.26501	5.5
71.04990	61.2
79.05490	44.1
80.05808	2.0
81.02918	1.9
81.03413	59.7
81.07051	100.0
83.04984	20.0
83.08611	28.8
85.02899	30.5
85.06536	7.3
86.49323	1.3
87.04456	2.0
91.05477	72.7
93.07041	40.6
95.04964	31.2
95.08598	19.2
97.02891	3.3
97.06526	9.1
97.10171	6.4
99.08091	2.8
105.07024	41.3
107.04950	3.8
107.08592	24.7
109.06522	9.3
109.10146	12.8
110.19223	1.7
111.04416	2.2
111.08070	13.7
113.06007	3.4
115.05480	1.4
117.07008	7.2
119.08576	21.1
121.06474	2.2
121.10139	18.3
123.08077	4.8
123.11710	21.1
125.05961	1.3
125.09624	3.5
129.07004	8.8
131.08554	16.7
133.06493	2.3
133.10127	36.5
135.08067	1.8
135.11673	7.0
137.05995	1.6
137.09656	1.9
142.07773	3.5
142.83789	1.3
145.10107	1.6
147.08064	2.9
147.11687	13.2
149.09637	5.0
149.13213	10.2
151.11211	16.6
157.10092	13.1
159.11707	8.8
163.11223	2.0
165.12776	4.4
167.24448	1.5
175.11176	13.5
177.12782	4.1
183.13782	17.4
193.10764	1.3
193.12245	52.1
195.13864	5.8
211.13284	61.8
227.16454	2.0
267.16071	3.7
269.17465	2.3
285.16934	2.9
313.16547	2.2
435.27368	4.6
467.29987	37.0
479.29932	2.2
495.34515	1.5
503.22687	1.8
511.32675	59.5
512.33209	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	12.5
55.01866	36.8
55.05504	53.8
56.65153	4.2
57.03427	26.0
57.07059	17.5
61.02907	3.9
63.30759	3.8
67.05504	85.5
69.03417	21.0
69.07061	36.5
70.14223	15.6
71.04978	16.3
71.08623	5.3
73.02863	4.7
79.05061	7.6
79.05489	100.0
81.03413	89.3
81.07053	81.4
82.04205	5.0
83.04984	42.9
83.08620	36.3
85.02896	48.6
85.06532	8.2
91.05473	96.3
93.07038	67.3
95.04962	62.5
95.08603	41.2
97.02888	11.5
97.06528	24.7
97.10158	15.5
98.07337	10.2
99.04435	8.7
99.08109	4.8
103.05464	4.7
105.07032	57.2
106.07887	3.9
107.04952	38.1
107.08597	39.8
109.02866	7.2
109.06538	20.4
109.10148	31.3
110.27852	3.7
111.04404	11.6
111.08067	25.3
111.11702	7.0
113.06032	6.6
115.05412	4.3
117.07013	16.1
119.08565	43.8
121.06497	11.4
121.10134	40.9
123.04414	4.8
123.08054	15.7
123.11679	13.3
125.05941	5.9
125.09619	18.6
127.03879	5.6
127.11186	6.4
129.06990	22.0
129.12749	6.0
131.04945	6.7
131.08603	27.8
133.06502	5.8
133.10109	32.0
135.04350	4.9
135.08038	17.4
135.11699	22.0
137.05984	23.7
137.09599	7.9
139.07501	5.7
139.11162	11.0
143.08522	4.9
145.10149	20.1
147.08063	5.7
147.11705	22.1
149.05969	6.1
149.09602	16.4
149.13213	4.2
151.11176	10.1
153.08958	4.1
157.10114	21.8
158.05739	6.7
159.11795	6.0
163.07521	18.4
163.11127	20.1
165.12764	13.0
167.07037	39.5
171.06526	11.2
171.07933	5.4
171.11670	4.3
173.09610	5.7
173.13225	4.0
175.11186	25.4
181.12247	7.5
183.11691	5.9
191.10657	7.8
193.12253	64.2
195.10138	15.6
199.13390	6.3
209.11743	13.3
209.15387	8.3
211.13287	69.2
227.12833	13.3
230.96396	4.4
245.13715	5.7
249.14874	5.6
255.15764	5.8
255.21408	4.3
267.15900	8.2
277.98593	4.2
285.17276	6.5
321.17352	4.7
339.18039	6.5
349.23587	6.4
355.44263	4.2
383.22113	6.4
409.25601	5.1
414.36749	5.0
465.27975	5.2
493.27737	11.4
511.22250	4.2
511.29565	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
53.97411	1.4
55.01870	6.9
55.05510	9.7
57.03433	3.4
65.03925	2.3
67.05507	13.6
69.03436	11.9
69.07077	6.6
71.04980	1.6
71.57699	2.7
73.00755	1.4
73.02908	2.6
74.19077	1.2
77.03949	1.4
78.04699	1.7
79.05491	36.2
81.03416	13.0
81.07053	12.8
83.04982	30.4
83.08614	4.8
85.02890	11.6
91.05479	20.9
93.07041	24.3
95.04967	18.3
95.08614	11.1
97.02898	6.9
97.06518	2.8
99.04462	2.1
103.05463	15.8
105.04533	1.5
105.07035	13.7
107.04951	100.0
107.08602	6.7
107.51160	1.2
108.05273	2.0
109.02866	4.3
109.06525	4.1
109.10148	22.2
111.04451	3.4
111.08071	9.5
115.03934	2.8
115.05458	6.2
117.07017	3.8
119.08604	5.6
120.05736	3.1
121.06497	10.7
121.10150	5.1
123.04438	5.5
123.08070	3.2
123.11696	2.4
124.05221	3.8
125.05978	1.9
125.09642	1.9
127.03933	3.7
129.06981	1.6
131.04910	7.1
131.08516	2.3
133.06490	6.1
133.10127	3.8
135.08049	33.5
135.09004	2.7
135.11694	6.0
137.05997	3.3
137.09605	45.7
139.03873	1.5
139.07539	23.9
145.04985	3.1
145.06537	1.6
145.07591	2.4
145.10103	2.2
147.04440	2.1
147.07928	1.7
149.05998	2.1
151.03949	1.7
152.04782	1.9
153.01901	2.4
154.06293	3.4
155.10686	7.9
157.10172	1.6
161.05992	3.5
163.07541	87.1
165.05472	3.4
167.07039	86.4
175.07603	2.5
175.14836	2.9
177.09201	1.7
177.99667	1.6
180.07793	2.3
181.08580	7.8
183.08089	1.9
187.07443	2.8
193.08597	9.0
193.15875	35.7
195.10159	71.8
196.10471	1.6
201.09186	1.4
211.16922	2.0
213.11163	9.6
265.10718	1.7
283.13260	2.4
285.31857	1.8
291.12155	2.5
353.02817	2.3
359.84073	1.8
433.23669	1.5
453.11850	1.9
511.21368	19.8
511.28415	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	511.29
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47261	1.8
53.03933	9.4
55.01871	52.9
55.05510	52.2
55.70437	2.1
55.89492	2.0
57.03437	21.4
57.07076	16.5
59.05006	5.1
65.03941	4.1
65.61521	2.2
67.05501	87.3
69.03425	18.4
69.07069	26.0
71.04993	14.2
73.02916	5.9
79.05489	89.3
80.05818	2.7
80.06267	3.2
81.03416	100.0
81.07053	78.3
82.04196	13.0
83.04978	45.9
83.08620	50.3
85.02903	42.5
85.06532	6.6
91.05476	89.6
93.07044	49.2
95.04964	68.2
95.08611	30.1
96.05766	3.0
97.02895	10.5
97.06518	26.4
97.10165	17.3
98.07294	15.2
98.21468	4.5
99.04436	2.6
99.08083	6.0
101.06021	2.2
103.05483	4.4
105.04424	2.2
105.07025	56.1
107.04942	22.4
107.08584	35.7
109.06528	15.4
109.10144	20.4
111.04446	9.3
111.08060	24.3
113.06013	5.9
115.05452	7.3
116.04740	4.4
117.05457	2.2
117.07015	10.8
119.08580	40.5
121.06477	4.4
121.10149	20.7
123.08054	12.6
123.11720	3.0
125.09609	20.9
127.07584	4.9
127.11208	8.7
128.06203	4.3
129.05473	6.2
129.06987	23.6
131.08566	24.1
133.06491	5.8
133.10127	33.8
135.08046	6.5
135.11679	9.6
136.08830	3.1
136.67575	2.2
137.05989	4.1
137.09592	9.1
139.07492	2.9
142.07805	4.6
145.10114	12.2
147.08064	6.5
147.11679	28.6
149.09584	14.9
151.11186	2.1
153.09102	4.2
155.08545	3.7
157.10129	25.4
158.05725	12.9
163.11206	9.5
164.11899	3.1
165.12764	5.6
167.07076	4.4
171.06544	23.6
173.11713	2.5
175.11185	29.4
177.05449	3.1
181.12204	3.5
185.08069	8.2
189.11224	4.6
190.04611	4.1
191.10675	3.1
193.12236	90.9
199.09651	6.9
199.13293	7.1
200.25835	2.1
201.14780	6.5
209.11742	6.9
210.12518	3.8
211.13280	84.4
213.11263	3.4
226.12018	3.5
227.12811	15.4
241.14285	3.2
242.15416	4.8
255.12125	3.8
255.13454	2.6
255.15894	17.1
267.15918	10.5
269.17484	4.1
283.15405	5.2
283.19122	5.7
283.69672	2.5
285.16953	9.8
297.20590	4.0
298.17422	3.5
311.18802	4.5
311.22217	7.5
325.23703	3.3
326.24274	2.3
339.17908	14.5
339.21771	10.3
353.19565	2.5
367.21155	9.5
381.22586	4.2
382.27106	4.9
395.24374	4.2
409.25797	7.2
439.26947	6.4
465.28409	4.3
475.26654	3.6
493.28122	5.1
494.28256	5.4
511.29004	49.0
525.25433	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	511.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	24.2
55.05495	25.6
57.03433	18.6
61.02917	36.3
67.05505	85.6
69.03410	29.2
69.07063	46.8
71.04986	27.0
71.57980	7.9
71.58351	13.9
72.48529	7.8
73.02909	29.2
74.71109	7.6
79.05490	65.7
81.03398	38.3
81.07057	100.0
83.04963	14.7
83.08619	15.7
85.02894	34.4
85.06562	12.3
91.03946	17.4
91.05484	84.0
93.07038	61.4
95.04955	30.0
95.08598	51.0
97.02885	34.6
97.06517	40.8
99.08080	10.1
100.19784	8.0
105.07033	95.2
107.04942	23.8
107.08582	33.9
109.02878	13.6
109.06505	14.2
109.10130	19.6
117.07045	12.9
119.08570	66.6
121.10108	11.6
122.28156	7.8
123.08105	9.5
125.09588	12.6
127.03893	21.5
129.06976	15.8
131.08586	34.5
133.10126	61.3
135.11678	15.6
136.44814	8.6
137.05949	9.0
143.08603	13.0
145.04811	10.0
145.10141	31.8
147.11699	32.6
159.11742	15.1
171.11710	10.1
176.17052	8.6
177.12689	10.4
179.14339	16.9
205.12181	11.7
206.06288	9.2
211.13301	10.1
241.14326	9.4
275.20059	95.0
349.23697	21.8
402.74646	9.2
495.19031	8.9
536.00641	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	511.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.1
53.03941	7.0
55.01854	7.5
55.05504	9.4
57.03431	3.4
67.05506	18.9
69.03420	9.9
69.07052	3.2
69.49394	13.4
69.49804	3.4
70.06583	1.8
71.01356	1.6
71.04993	3.7
78.04698	4.1
79.05494	31.5
81.03410	21.5
81.07063	19.0
83.04980	6.0
83.08617	6.5
85.02890	7.7
85.06532	2.5
91.05467	27.8
93.07035	23.5
95.04966	20.3
95.08599	9.6
97.02885	7.0
97.06512	6.0
97.10168	3.3
98.20731	3.3
99.08077	3.2
103.05463	16.8
105.04532	1.6
105.07027	17.8
107.04951	100.0
107.08582	9.4
109.02877	3.2
109.06510	6.0
109.10140	3.5
111.04419	4.7
111.08069	7.6
111.25480	1.7
115.05405	8.8
117.07000	6.8
119.08573	8.6
120.05746	3.2
121.06514	8.9
121.10169	9.4
123.04429	6.5
123.08049	3.6
124.05198	2.8
125.09569	2.0
127.03845	2.5
129.06979	2.1
131.04884	6.2
131.08549	5.6
133.06493	5.1
133.10144	3.6
135.08047	32.4
135.11638	5.1
137.05963	9.4
137.09572	3.5
139.07529	8.6
141.06918	1.8
145.06454	2.8
145.07579	2.1
145.10161	3.6
147.08089	1.9
147.11601	2.9
152.04663	3.3
153.01814	5.3
154.06227	3.8
157.10101	3.5
159.11792	1.9
161.05974	3.5
163.07541	80.4
163.11143	3.4
167.07047	86.2
172.03877	2.1
175.11227	3.9
180.07834	3.5
181.08569	5.3
181.10074	2.3
181.12164	1.8
187.07462	1.8
191.10648	3.0
193.08536	5.3
193.10649	1.9
193.12186	11.2
195.08339	3.7
195.10164	63.6
196.10738	1.8
209.11742	5.5
211.13254	9.9
213.11188	6.9
217.08548	2.0
227.12794	3.1
267.15817	2.1
493.28394	3.1
511.28442	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	511.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	14.2
55.05494	27.8
64.39322	8.2
67.05502	45.5
69.03415	12.5
69.07055	20.4
79.05476	35.2
81.03397	32.6
81.07047	54.9
83.04956	14.6
83.08607	21.1
83.69904	10.5
85.02882	15.9
91.05464	31.9
93.07019	46.7
95.04941	25.0
95.08605	47.5
97.02868	10.0
98.20734	21.8
105.07020	19.2
107.04924	10.6
107.08593	45.6
109.06487	16.5
109.10149	100.0
119.08554	32.7
121.10143	23.5
123.08033	14.8
123.11677	14.6
129.06963	12.4
131.08597	14.1
133.10100	23.0
135.11693	78.0
137.09595	14.7
149.13211	10.6
153.04465	8.6
175.14809	34.0
193.15840	50.8
211.16920	67.9
229.64156	10.2
275.20078	11.0
371.76755	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	511.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25837	0.8
51.02369	1.5
53.03947	3.5
55.01871	4.6
55.05515	5.3
57.03424	2.5
61.02933	1.1
65.03937	1.6
67.05502	8.6
69.03422	7.7
69.07072	3.4
71.05000	1.8
71.58199	1.4
78.04700	2.4
79.05490	20.5
81.03413	16.9
81.03861	1.4
81.07049	7.4
83.04969	2.7
83.08612	3.3
85.02897	5.3
86.80031	0.9
91.05478	18.9
92.05774	1.0
93.07037	20.6
95.04968	15.1
95.08611	5.1
97.02879	6.2
97.06526	2.4
99.04481	1.1
103.05468	17.7
105.04516	1.3
105.07029	15.1
105.07690	1.5
106.04169	1.7
107.04951	100.0
107.08586	5.2
109.02895	3.2
109.06523	3.8
109.10160	2.1
111.04444	3.6
111.08065	6.0
115.03925	2.7
115.05454	8.3
117.07031	4.5
119.08601	3.6
120.05704	4.3
121.06499	9.1
121.10144	4.0
122.03615	0.9
123.04406	7.0
123.08026	1.4
124.05189	2.4
125.02372	1.0
125.09640	1.1
127.03945	1.1
129.07040	1.8
131.04926	5.7
131.08565	1.8
133.06461	4.3
133.10123	3.3
135.04533	1.2
135.08055	31.5
135.11684	1.9
137.05956	2.8
137.09618	2.1
139.07523	9.5
143.03314	1.3
145.06537	1.0
145.07605	2.1
145.10130	2.6
147.04468	1.4
147.08102	1.9
147.11729	2.0
149.05995	1.7
149.09596	0.9
152.04773	1.6
153.01836	2.1
154.06250	3.0
157.10153	1.6
161.05902	4.1
163.07539	89.0
164.08081	1.0
165.05579	1.8
165.06938	0.8
165.09140	1.0
167.07033	91.0
168.07344	1.0
171.08133	1.0
173.09618	1.6
175.07506	1.3
175.11171	2.4
177.05431	0.9
180.07782	4.5
180.22534	0.9
181.08632	7.6
185.09669	0.8
191.06950	1.0
193.08633	5.7
193.12337	4.1
195.10162	68.9
196.10435	1.0
199.07489	1.6
207.10176	1.7
209.11722	2.5
211.13251	4.0
213.09221	1.5
213.11153	9.3
215.06909	1.0
217.08728	1.1
223.09612	1.9
227.10631	1.6
227.12675	1.6
231.10181	1.4
241.08499	1.3
247.09525	1.4
255.10088	0.9
255.13643	0.9
287.13077	1.1
291.12384	1.9
397.25458	0.9
466.64975	0.9
493.27631	1.4
507.36301	0.9
511.28503	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	510.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	0.7
57.07074	3.1
58.06595	1.5
60.08162	18.9
67.05497	1.2
67.85336	0.6
69.07027	0.6
71.07368	6.5
71.08620	1.4
71.31363	0.7
81.07041	1.1
83.78049	0.6
85.10183	1.1
86.09705	49.9
92.42184	0.5
95.08591	1.6
98.98468	4.2
104.10741	100.0
119.29138	0.5
125.00003	27.0
133.10075	0.6
145.10078	0.6
148.08350	0.6
163.01511	0.9
184.07338	92.2
212.83012	0.7
229.53650	0.9
251.94713	0.7
258.11020	1.0
327.29095	1.6
475.38889	0.7
492.34375	7.9
510.35522	24.7
516.96881	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
53.10876	0.8
55.01880	1.4
66.45111	0.9
67.05489	1.6
69.03435	4.2
69.07067	1.0
71.04996	1.1
71.57375	1.2
71.57784	1.4
79.01862	3.0
79.05489	1.2
81.03423	4.0
81.07050	2.9
82.45506	0.8
85.02907	4.5
91.05494	3.3
93.07030	4.0
95.04978	2.1
95.08628	1.0
97.02892	4.6
99.04482	1.1
105.07031	3.7
107.01303	2.2
107.05003	0.9
107.08595	9.0
109.02906	5.0
109.06567	1.1
119.08569	1.8
121.06457	1.6
121.10155	1.2
123.11687	1.0
125.02389	4.5
127.03928	6.2
133.06480	0.9
133.10124	5.5
135.11717	5.7
137.02338	1.8
137.05986	3.5
137.09644	1.6
138.06316	1.1
143.03380	7.7
145.02852	1.8
147.04369	0.9
151.11208	1.5
153.01823	100.0
154.02184	1.7
159.41644	1.1
161.09581	4.6
165.01819	1.6
167.07071	3.4
167.10745	1.3
171.02850	11.0
171.04045	1.1
177.05484	3.5
179.10651	12.0
183.02843	2.1
197.11728	38.0
297.05975	2.7
301.14267	1.1
315.07022	6.7
334.23288	1.0
349.12750	1.0
511.17490	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	510.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	14.2
64.46136	9.5
67.05496	31.7
69.03425	41.4
69.52161	34.1
69.52592	60.2
71.04993	17.0
78.81898	10.3
79.05481	30.4
81.03427	34.6
81.07051	44.9
83.04990	18.5
85.02903	100.0
85.06527	19.4
91.05489	69.0
93.07042	23.2
95.04954	18.4
97.02899	43.0
98.21476	19.0
100.18507	12.6
105.07043	47.8
107.08617	21.9
109.02880	43.9
109.06535	22.7
111.04490	14.4
127.03934	32.5
133.10147	19.5
136.35744	9.4
137.05879	19.2
145.04956	34.1
151.11183	41.2
153.01820	42.6
163.07442	13.6
167.07083	29.7
186.99966	9.8
303.01364	15.9
511.17288	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	510.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01578	2.0
51.87055	2.0
53.03942	4.6
55.01861	5.3
55.05501	7.7
57.03429	8.5
61.02921	6.6
61.12794	2.3
65.03944	4.4
67.05501	43.1
68.29234	2.1
69.03426	50.2
69.07056	4.0
69.70774	2.5
69.71182	13.2
71.05002	12.6
73.02921	4.2
79.05483	27.7
81.03426	9.7
81.07054	51.0
83.04977	7.5
85.02901	100.0
85.06544	18.3
91.03959	6.4
91.04900	2.8
91.05475	57.6
93.07034	13.2
95.04967	22.5
95.08603	7.3
97.02882	22.0
97.06561	4.3
99.04470	5.2
99.08095	4.7
105.07024	44.1
107.04939	6.5
107.08595	17.4
109.02874	8.5
109.06512	17.6
109.10149	7.4
115.05446	2.2
117.07027	2.4
119.04922	2.1
119.08563	2.4
121.06541	4.4
121.10168	2.8
123.04418	3.0
123.08056	3.0
123.11694	5.8
127.03914	27.8
127.07526	2.6
129.06964	2.8
131.08583	4.4
133.06503	3.7
133.10123	26.1
135.07988	2.0
137.05952	5.6
143.08485	2.0
145.04958	33.5
147.08076	1.9
151.11180	39.6
153.01816	6.6
161.05934	3.2
163.06094	13.3
163.07347	2.9
164.56982	1.8
167.06998	12.1
169.12210	4.7
189.09122	2.2
193.12216	2.4
207.10106	5.5
303.01248	2.3
348.27319	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	509.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38242	3.1
55.01878	5.3
55.05519	19.6
55.05748	3.1
57.07079	55.8
65.03950	3.4
66.03059	3.8
67.05502	73.2
69.03429	4.5
69.07072	24.8
71.04980	6.4
71.08627	34.2
73.06549	4.2
79.05476	15.5
81.07053	75.1
83.04960	6.0
83.08593	17.4
85.06535	7.4
85.10178	18.5
85.86449	2.9
89.06003	4.1
91.05479	45.4
93.07028	18.2
95.04984	6.3
95.08603	38.0
97.06512	5.8
97.10176	8.1
99.04420	4.2
99.08135	3.4
105.07027	45.7
105.07700	5.1
107.08578	39.2
109.06510	4.6
109.10153	87.5
111.08417	3.7
113.06034	6.3
117.91006	3.8
119.08582	4.8
123.11703	18.6
127.07529	8.0
133.10132	100.0
138.73738	2.9
151.11186	60.3
169.12216	12.5
215.12880	5.3
229.63174	3.8
237.30139	3.8
239.23743	4.8
246.69940	3.9
253.14371	59.0
276.47974	3.0
392.35873	3.7
433.00711	3.4
509.31757	18.8
509.38461	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.3
55.01871	10.8
55.05509	32.0
57.03439	6.7
57.07071	1.6
59.04998	4.6
61.02914	2.4
62.07603	1.7
63.54419	1.1
64.27567	1.3
65.03935	3.0
67.05504	68.3
68.48423	1.3
69.03438	2.9
69.07065	13.0
69.94590	6.8
71.01358	2.4
71.04993	70.5
79.05491	55.0
79.05962	1.4
81.03424	15.3
81.07056	100.0
83.01337	8.4
83.04977	26.6
83.08617	16.5
85.02917	4.2
85.06541	9.3
86.99303	1.6
91.05481	65.0
93.07041	54.9
95.04977	16.1
95.08607	22.6
97.02885	3.2
97.06545	12.5
97.10188	3.6
99.04454	3.0
99.08113	2.0
103.98757	1.3
105.07026	32.3
105.07679	2.7
107.04957	11.0
107.08595	34.8
109.06517	11.9
109.10163	12.9
111.04470	5.7
111.08098	5.3
115.05483	1.4
117.07005	13.1
119.08564	12.6
120.43980	1.2
121.06507	5.7
121.10130	14.8
123.04530	1.6
123.08053	10.8
123.11713	21.2
125.09656	2.5
129.07028	2.3
130.07764	3.3
131.08588	10.4
131.76872	1.3
133.10132	27.7
135.08075	4.5
135.11690	19.5
137.09604	2.5
143.08588	1.9
145.10150	16.6
147.08090	2.6
147.11729	2.0
149.13289	11.2
151.11174	17.6
153.12772	2.8
159.11690	7.4
163.05537	1.4
163.11191	33.7
163.12544	2.1
166.32361	1.3
173.09631	3.1
177.12772	3.7
181.12263	5.6
183.13812	22.3
183.15335	1.7
187.13335	1.8
191.10754	3.6
194.84546	1.6
195.13828	6.2
209.11714	9.8
223.13354	1.4
227.12822	5.0
234.71700	1.9
247.34286	1.6
257.17633	1.4
269.17621	3.7
277.08691	1.7
283.15540	2.6
283.18964	3.1
285.16989	3.3
311.14905	3.8
366.88754	1.5
456.69785	1.5
465.28491	35.1
477.28525	3.7
509.31152	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	5.8
53.03930	8.7
53.71897	4.3
55.01865	8.2
55.05506	42.1
57.03439	8.0
67.05508	38.1
69.03426	12.4
69.07049	14.9
70.02074	7.7
70.02483	22.4
71.04996	8.1
79.05490	36.0
81.03413	68.7
81.07049	55.8
83.04982	14.5
83.08621	32.0
85.02891	34.8
85.06516	6.0
91.05476	62.9
93.07032	38.2
95.04968	25.7
95.08597	18.2
97.02907	13.4
97.06516	13.4
97.10152	10.8
99.00799	19.7
103.05503	6.8
105.07031	51.0
107.04964	13.7
107.08598	18.8
109.02876	10.3
109.06518	8.5
109.10157	18.7
111.08078	17.4
113.05969	5.7
117.07018	6.5
119.08575	26.7
121.06520	11.4
121.10114	12.0
123.04435	4.2
123.08037	5.6
125.09706	5.0
127.03901	5.4
129.07001	10.0
131.08583	5.9
132.33076	4.7
133.06496	7.9
133.10117	100.0
135.08020	9.2
137.05975	5.3
137.09587	44.8
139.07533	13.7
143.08539	5.9
145.10077	7.0
147.11638	11.5
149.13269	5.2
151.11142	17.2
157.10121	16.5
161.09593	26.2
163.11267	4.6
165.12805	5.2
175.11243	17.9
179.10658	10.0
189.09120	9.9
191.14238	23.0
193.12221	56.1
197.11874	5.6
207.10196	7.6
211.13243	53.6
225.11429	9.3
266.25729	4.9
372.77545	5.6
432.93921	5.4
509.27551	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.3
53.15253	1.1
55.01863	3.2
55.05496	3.2
57.07066	1.4
59.04980	1.4
67.05489	5.3
69.03438	9.3
69.07054	3.9
70.70936	1.4
70.71261	2.6
71.04998	1.3
79.05490	16.6
79.05919	1.9
81.03412	8.4
81.07060	8.6
83.04966	3.2
83.08614	2.8
85.02889	6.3
85.19775	1.1
86.29174	1.1
91.05479	11.9
93.07041	18.5
95.04958	9.6
95.08591	4.7
97.02886	3.1
97.06503	2.9
103.05495	1.3
105.07000	5.5
107.04889	1.2
107.08614	8.8
109.02889	1.3
109.06509	9.0
109.10145	4.9
111.04435	1.1
111.08063	4.1
114.75014	1.2
119.08565	3.9
121.06496	6.3
121.10126	13.9
122.07196	1.7
123.08070	6.6
123.11670	3.3
127.03902	2.7
131.08548	4.5
133.10141	2.7
135.08037	3.1
135.11655	1.6
137.09612	17.0
139.07526	11.7
145.10107	1.4
147.08058	1.3
147.11642	1.7
149.09630	8.1
149.13277	5.6
150.68317	1.2
151.11169	30.9
163.07471	1.2
163.11214	2.4
163.12567	1.0
163.52966	1.0
165.12753	45.0
165.14153	2.6
173.13245	1.8
176.45468	1.2
191.14275	8.6
193.15884	5.9
204.32898	1.2
209.15361	100.0
210.15823	1.5
265.10443	1.5
298.69003	1.1
321.20422	1.5
482.64349	1.3
509.27548	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.9
54.05809	3.7
55.01865	7.2
55.05500	13.7
57.07048	6.4
67.05508	22.5
69.03410	15.1
69.07056	16.9
71.04982	8.2
71.57734	7.0
74.75098	3.5
79.05489	22.5
81.03406	16.1
81.07050	28.1
83.04964	11.0
83.08630	5.8
85.02899	16.8
85.06544	7.5
91.05470	24.2
93.07037	25.3
95.04950	10.8
95.08607	33.4
97.02872	8.4
97.06511	3.8
97.10159	3.3
99.08096	5.8
105.07030	20.2
107.04938	4.7
107.08605	20.7
109.02890	10.6
109.06508	13.1
109.10162	50.9
111.04427	13.7
111.08057	9.2
119.08566	25.2
121.06502	6.7
121.10141	16.5
123.08047	7.4
127.03873	9.8
131.04921	5.4
131.08595	6.4
133.10094	18.0
135.11699	36.1
137.02338	100.0
137.03369	5.2
137.05943	7.6
137.09579	9.9
139.07507	13.8
145.10129	4.7
147.04532	4.4
147.11719	5.9
149.09572	13.7
149.13229	6.1
151.11206	9.1
151.14807	4.3
153.01846	18.3
155.03398	8.5
157.10135	5.3
158.27420	4.1
167.07077	8.9
167.08528	3.6
171.11664	4.4
175.07394	4.2
175.14813	21.3
191.14294	7.7
193.15863	23.0
197.00369	3.9
209.15390	15.8
211.16919	34.7
281.06491	9.1
299.07599	8.3
321.67566	3.8
344.23148	3.7
362.09595	4.3
509.25336	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.9
55.01871	45.1
55.05269	4.3
55.05511	68.3
57.03428	12.0
59.04998	7.7
62.59994	3.6
65.03921	6.8
67.05505	98.4
69.03433	11.3
69.07063	27.7
70.25553	7.6
70.25920	17.0
71.01312	4.3
71.05005	21.7
73.02922	3.6
77.59049	4.4
79.05494	80.7
79.21471	3.8
81.03413	38.4
81.06586	5.9
81.07056	100.0
82.04183	4.3
83.01332	13.5
83.04987	40.9
83.08627	24.2
85.02886	14.1
85.06532	11.0
91.05481	65.9
93.07038	77.4
95.04967	39.2
95.08614	36.1
95.51877	4.1
96.05783	4.1
97.02882	13.6
97.06525	29.3
97.10176	7.4
98.07302	13.8
99.04472	4.6
105.07017	43.3
107.04945	22.8
107.08585	49.5
109.02863	4.7
109.06512	19.1
109.10148	31.5
111.04439	14.4
111.08070	11.2
113.06025	4.1
115.05470	4.2
117.07011	23.9
119.08579	31.9
120.09330	4.2
121.06454	8.3
121.10119	28.7
123.04439	5.9
123.08047	25.1
123.11718	9.5
125.06009	5.6
125.09620	15.7
129.06964	9.6
130.07796	3.7
131.08580	19.7
133.06470	4.6
133.10110	18.4
135.08029	11.2
135.11679	33.6
137.06003	4.8
137.09613	11.3
139.07550	4.0
145.10138	33.4
146.10622	4.1
147.04420	4.3
147.08011	6.6
147.11685	9.6
149.05922	4.0
149.09604	5.8
151.11180	8.7
153.12700	7.8
157.10081	6.2
158.05740	6.6
163.11176	49.7
163.14972	4.2
171.06511	12.6
173.09604	7.5
175.11185	5.2
181.12183	12.2
191.10725	7.8
193.12163	6.4
201.14919	5.5
209.11780	21.4
227.12785	16.3
283.15347	7.3
337.16425	15.9
351.17920	6.8
365.19540	8.8
509.27570	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	509.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11268	1.6
55.01868	2.0
55.05511	1.8
57.03426	1.6
65.03951	1.5
65.91974	1.4
67.05496	4.3
69.03416	3.0
70.87527	4.5
71.05003	1.7
78.04709	1.4
79.05481	8.1
80.86478	1.8
81.03404	2.3
81.07066	5.2
91.05476	20.3
93.07040	6.1
94.04182	3.4
95.04958	5.0
95.08632	4.7
97.02867	1.7
103.05448	2.0
105.07021	5.7
107.04939	7.7
107.08577	4.0
109.06517	4.4
115.05450	3.9
117.06984	3.5
119.04926	6.6
119.08585	3.1
121.06513	5.8
121.10198	1.8
122.03643	5.7
123.08030	3.6
128.06215	2.3
129.06984	10.2
131.04938	7.2
131.08556	3.9
133.06519	3.2
133.10120	3.2
135.08052	3.6
137.05972	100.0
137.09630	1.7
143.04961	3.1
145.06490	3.8
146.07278	2.8
147.04417	2.9
147.08060	2.6
148.05167	2.6
149.06013	5.6
151.03906	4.3
151.07536	40.2
153.01819	4.4
154.61905	1.5
157.06511	6.0
159.04472	1.7
159.07976	2.2
160.05269	1.6
161.05969	65.9
161.09610	14.2
163.07545	10.0
165.06964	3.1
165.09076	3.9
167.07050	4.4
167.08435	2.0
174.06725	3.9
175.07536	25.6
177.09142	4.5
179.08507	1.9
181.06474	2.5
187.07533	2.4
189.09071	37.4
189.94247	1.6
193.08591	1.8
195.08221	3.4
195.10121	19.9
197.06035	2.4
205.06421	2.7
207.10141	31.6
208.08762	1.9
211.07561	2.5
218.07242	2.0
219.08075	4.4
221.05949	2.4
221.09518	2.5
222.06827	3.8
223.07497	2.4
225.09041	4.6
233.05945	2.1
234.06770	4.4
235.07578	3.0
236.08417	2.4
237.05389	2.1
237.09099	6.0
238.06281	2.5
239.06612	1.7
239.10834	1.8
249.05670	1.6
249.09018	3.5
250.06313	2.2
251.06903	2.2
251.10689	4.0
252.07747	1.7
253.08618	5.6
254.09518	1.9
255.06551	2.6
258.29553	1.6
265.08533	11.6
267.10117	4.2
269.08057	2.6
270.08868	3.9
277.08600	8.8
277.12076	2.3
279.10159	3.7
281.08099	4.3
282.08713	1.9
283.09668	4.9
284.10254	2.9
285.11194	8.5
291.09970	1.8
295.09610	4.4
296.10440	2.4
297.11139	16.6
298.11838	1.7
299.12646	4.4
305.11752	3.5
308.10370	2.6
309.11163	6.8
311.12805	16.6
317.13937	3.5
323.12805	6.0
329.13953	2.6
337.14297	13.1
341.13843	2.1
343.15616	1.7
355.15335	8.5
367.15326	6.3
403.46332	1.9
479.20731	4.2
491.20615	3.4
509.22141	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	509.1267
Annotation	Moghanin A
Peak:m/z	Relative Intensity
53.03963	1.1
59.64296	0.9
68.93239	0.7
69.03432	1.1
70.17264	1.7
70.17674	3.4
78.92222	0.9
79.05480	1.1
81.03417	2.4
85.02879	1.5
93.03468	0.9
95.99304	0.9
98.20798	0.9
98.65624	0.8
107.05006	0.9
109.02892	2.8
127.03909	2.6
153.01830	8.1
161.61987	1.1
171.02942	2.3
177.05234	7.8
179.06889	1.5
191.03421	1.7
211.00981	1.3
276.24173	1.0
285.00446	1.1
303.01230	4.4
353.04895	6.1
355.06375	21.9
362.74692	1.0
403.67755	1.0
467.88614	1.0
509.12671	100.0
510.12976	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01847	1.2
61.02892	1.0
61.07297	0.9
67.05494	2.8
69.03413	2.5
69.61518	6.6
72.95457	0.8
79.05496	4.9
81.03407	3.3
81.07019	2.5
85.02901	1.8
91.05476	5.8
93.07048	17.1
95.04970	5.6
95.08592	2.7
97.02873	3.3
105.07001	1.4
107.04932	3.6
107.08589	1.9
109.02874	2.4
109.06507	1.4
111.08071	3.6
119.08553	1.5
121.06476	2.4
127.03913	1.3
133.02838	1.0
135.04417	2.2
137.05952	2.8
139.07533	8.5
147.11627	0.9
149.02350	8.5
149.13347	1.2
151.07500	1.4
153.01843	3.4
153.05469	3.2
155.07074	1.6
157.08575	2.5
163.03931	5.6
163.11177	0.9
165.05513	1.0
166.02628	1.3
167.07066	1.2
181.04997	2.2
193.04932	3.9
194.02075	7.1
209.04440	100.0
210.04843	1.4
213.86787	0.8
242.14059	0.9
266.97183	0.8
401.52100	1.0
402.84296	1.0
409.69476	0.9
437.36603	0.9
509.23169	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.3
55.01863	2.7
55.05507	23.3
57.03428	3.7
57.07075	63.5
61.19035	1.4
65.03951	2.4
67.05503	69.5
69.07066	33.5
70.00774	8.9
71.04992	4.2
71.08634	40.1
77.04045	1.6
79.05059	2.4
79.05495	32.6
81.03415	1.9
81.07055	100.0
83.04977	3.6
83.08628	26.3
85.06537	4.1
85.10178	21.1
90.13979	1.7
91.05477	18.9
93.07043	55.1
95.04984	7.2
95.08607	49.6
97.06555	8.4
97.10169	11.6
99.08089	2.7
105.07023	7.8
107.08585	27.3
109.06516	2.0
109.10160	17.8
111.08073	8.7
111.11711	2.0
113.56095	1.7
117.07042	7.5
119.08576	1.9
121.10133	15.2
123.11710	8.3
131.08563	8.8
133.10118	5.2
135.11687	8.0
137.13266	3.5
139.07545	1.4
139.11116	2.0
139.14818	2.1
149.13254	34.2
151.14882	1.7
159.11662	12.6
177.12740	7.5
192.18666	1.8
195.13864	11.6
239.23759	10.8
387.30142	1.8
480.17108	1.7
507.40460	83.5
508.40656	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	507.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.8
55.01860	3.7
55.05512	34.7
57.03430	7.1
57.07072	8.4
65.03935	3.1
67.05504	100.0
69.07068	20.3
70.06702	13.6
71.04991	4.8
71.08615	3.7
72.86203	2.8
79.05486	33.1
80.14359	2.8
81.03423	5.8
81.07051	74.6
83.04986	4.7
83.08621	22.6
91.05482	27.7
93.07039	46.3
95.04952	7.2
95.08601	57.7
95.14972	2.9
97.06542	6.4
97.10160	20.2
105.07034	19.5
107.08589	34.4
109.06499	3.2
109.09460	5.4
109.10152	61.9
117.07021	7.8
119.08596	18.8
121.10140	21.3
123.11703	10.0
123.90410	3.1
125.09642	10.6
131.08575	16.2
133.10110	11.4
135.11707	14.3
137.13254	3.8
137.83626	4.0
143.08534	4.2
145.10107	13.7
147.11684	11.4
149.13258	9.6
157.10138	4.6
159.11687	10.4
161.13245	8.2
163.14781	3.6
171.11761	3.3
173.11729	15.6
173.13300	9.3
175.14853	4.2
183.62294	2.9
187.14970	5.6
189.11211	13.6
227.12820	14.7
229.14369	25.7
243.21100	6.1
259.20517	5.4
260.25833	3.2
261.22122	33.2
335.25815	18.9
357.83603	3.2
378.25586	3.3
379.29834	6.4
397.31015	13.4
400.95129	3.1
415.32166	11.8
433.33051	7.2
471.34656	7.1
489.35751	36.2
507.36661	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	507.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
53.64009	1.8
55.01874	2.2
55.05267	2.0
55.05515	28.5
57.03432	8.1
57.07071	5.4
59.04993	3.8
65.03941	2.3
67.05505	100.0
67.64400	1.7
69.03440	2.2
69.07070	20.4
71.04984	3.3
71.08657	3.7
79.05492	33.4
81.03428	5.3
81.06581	3.6
81.07058	62.1
83.05025	3.4
83.08617	18.5
85.06575	4.0
91.05486	23.8
93.07046	36.3
95.04973	6.8
95.08608	44.9
96.08936	3.2
97.06526	2.9
97.10162	15.6
105.07035	17.7
107.04985	3.0
107.08586	30.5
109.06471	2.6
109.10156	53.6
111.08102	4.0
113.09622	2.3
117.07005	7.0
117.96056	1.7
119.08582	21.2
121.10139	20.7
123.11686	11.4
125.09650	11.9
129.60736	2.2
131.08565	10.8
133.10121	11.8
135.08084	2.7
135.11685	15.0
137.09561	2.0
137.13264	2.9
143.08556	4.0
145.10130	11.3
147.11697	12.8
147.12740	2.2
149.13258	8.8
150.92329	1.9
155.08617	2.4
155.10683	2.7
159.11691	7.8
161.13263	6.7
163.14871	2.5
171.11615	2.8
173.11742	14.9
173.13300	6.8
175.14827	3.7
185.13298	2.7
187.14845	4.4
189.11227	9.4
193.12311	3.4
199.14928	2.3
227.12749	11.0
229.14366	28.1
231.16006	2.4
243.21062	4.6
249.18416	2.2
259.20660	3.6
261.22180	19.0
305.17612	1.8
335.25684	17.7
379.29984	4.5
397.30865	9.8
415.32053	7.9
433.33179	6.4
471.34464	3.9
489.35806	36.4
507.29807	3.1
507.36523	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3679
Annotation	Lycernuic acid D
Peak:m/z	Relative Intensity
50.18069	2.3
55.01864	5.5
55.05510	22.8
56.37480	2.4
57.03432	8.1
57.07073	12.1
59.05003	2.1
60.00204	2.1
62.88268	2.2
63.79416	2.1
65.03936	4.1
66.71461	2.1
67.05502	100.0
69.07066	18.8
71.04997	3.4
71.08658	4.5
71.19538	5.3
79.05495	33.2
81.03415	5.3
81.07053	65.4
83.04966	3.1
83.08613	16.6
85.06536	2.4
85.10178	3.4
85.80391	2.3
91.05458	21.0
93.07043	39.1
95.04961	7.1
95.08609	52.6
97.06540	2.6
97.10155	15.6
105.07018	16.1
107.08588	29.1
109.10155	59.7
111.08091	5.3
114.57769	2.1
117.07018	7.5
119.08574	19.2
121.10149	17.8
123.11723	11.8
125.09621	11.3
131.08566	11.8
133.10165	13.2
135.11717	13.5
137.09624	3.4
137.13271	4.4
143.08441	2.6
143.10753	2.6
145.10126	9.1
147.11710	6.6
149.13257	7.9
151.11195	2.7
157.10106	3.7
159.11702	6.5
161.13251	4.8
163.14865	4.5
171.11681	3.9
173.11748	14.0
173.13275	7.6
175.14955	2.3
176.27672	1.9
182.24687	2.4
185.13257	2.2
187.14815	4.2
189.11218	10.2
189.98645	2.3
195.56972	2.1
222.06590	2.4
227.12781	8.3
229.14362	22.3
231.15892	2.7
243.21133	2.5
261.22113	23.8
266.40067	2.2
317.24585	5.4
335.25772	16.7
397.30774	7.7
415.32031	6.8
425.39258	2.8
433.33023	7.1
471.34921	4.0
489.35785	25.5
507.27902	12.0
507.37042	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	507.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18069	2.3
55.01864	5.5
55.05510	22.8
56.37480	2.4
57.03432	8.1
57.07073	12.1
59.05003	2.1
60.00204	2.1
62.88268	2.2
63.79416	2.1
65.03936	4.1
66.71461	2.1
67.05502	100.0
69.07066	18.8
71.04997	3.4
71.08658	4.5
71.19538	5.3
79.05495	33.2
81.03415	5.3
81.07053	65.4
83.04966	3.1
83.08613	16.6
85.06536	2.4
85.10178	3.4
85.80391	2.3
91.05458	21.0
93.07043	39.1
95.04961	7.1
95.08609	52.6
97.06540	2.6
97.10155	15.6
105.07018	16.1
107.08588	29.1
109.10155	59.7
111.08091	5.3
114.57769	2.1
117.07018	7.5
119.08574	19.2
121.10149	17.8
123.11723	11.8
125.09621	11.3
131.08566	11.8
133.10165	13.2
135.11717	13.5
137.09624	3.4
137.13271	4.4
143.08441	2.6
143.10753	2.6
145.10126	9.1
147.11710	6.6
149.13257	7.9
151.11195	2.7
157.10106	3.7
159.11702	6.5
161.13251	4.8
163.14865	4.5
171.11681	3.9
173.11748	14.0
173.13275	7.6
175.14955	2.3
176.27672	1.9
182.24687	2.4
185.13257	2.2
187.14815	4.2
189.11218	10.2
189.98645	2.3
195.56972	2.1
222.06590	2.4
227.12781	8.3
229.14362	22.3
231.15892	2.7
243.21133	2.5
261.22113	23.8
266.40067	2.2
317.24585	5.4
335.25772	16.7
397.30774	7.7
415.32031	6.8
425.39258	2.8
433.33023	7.1
471.34921	4.0
489.35785	25.5
507.27902	12.0
507.37042	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	507.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	19.0
55.05503	33.4
57.07066	22.6
64.35152	20.3
67.05504	30.8
69.07066	60.3
70.06599	30.9
70.08169	27.1
70.08570	54.1
79.05483	51.7
81.03397	25.0
81.07062	100.0
83.04980	30.5
83.08624	26.1
85.02888	31.9
85.46215	17.2
86.09691	37.2
91.05470	44.3
93.07029	58.5
95.05001	25.0
95.08599	86.6
100.11258	54.0
105.07040	26.1
107.08598	48.7
109.10146	61.5
111.04433	36.6
112.07581	17.9
115.74972	18.3
119.08560	38.1
121.10117	43.5
123.11702	29.6
133.10124	38.6
135.11647	29.8
137.05989	21.4
140.07037	16.7
149.13271	28.7
168.13895	98.1
182.15408	36.4
196.13361	70.4
210.14867	30.6
242.86823	17.6
312.26447	55.6
422.29984	40.5
507.39197	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13604	3.0
53.03930	3.9
55.05507	24.0
57.03434	9.4
57.07076	4.5
62.75477	2.4
65.03954	2.9
67.05502	100.0
69.07070	18.0
70.31056	9.9
71.04971	4.4
71.81700	2.5
79.05489	24.0
80.71707	3.0
81.07052	63.6
83.04961	3.5
83.08621	12.8
91.05485	20.6
93.07037	33.2
95.04951	3.4
95.08604	33.6
97.06542	3.5
97.10143	16.3
98.20847	3.4
99.31129	3.2
105.07025	18.9
107.08595	29.4
109.10145	48.7
111.08024	3.0
115.19775	2.7
117.07014	7.3
119.08589	21.6
121.10135	19.7
123.11702	6.1
125.09626	6.3
125.52126	2.7
127.25375	2.6
127.80131	2.4
131.08510	13.1
133.10136	12.2
135.11710	10.3
135.76089	3.2
137.13231	2.6
145.10132	7.4
147.11685	11.0
149.13206	6.0
159.11717	8.7
161.13211	6.6
163.14798	5.7
173.11742	14.8
173.13290	7.2
175.14853	4.7
187.14830	5.2
189.11235	10.2
221.15396	3.3
227.12749	8.4
229.14383	25.7
243.21040	4.0
261.22144	23.0
335.25790	18.1
397.30716	6.9
415.31943	7.0
433.32968	3.9
489.35522	26.8
507.36557	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	507.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	44.1
57.07071	18.9
61.73146	11.0
62.19984	11.0
67.05502	37.0
69.03407	14.1
69.07071	38.9
69.28963	100.0
69.29373	25.7
79.05495	46.9
81.03426	23.1
81.07050	80.0
83.05003	15.7
91.05502	37.7
93.07048	62.3
95.04986	11.9
95.08609	70.9
95.93980	12.6
97.06498	18.1
105.06998	31.2
107.08593	45.5
109.10166	45.6
116.77996	13.0
119.08586	21.3
121.10163	32.2
123.08003	14.1
123.11680	30.0
133.10152	24.1
135.11716	38.1
137.09543	13.3
147.11697	19.8
149.13271	21.1
163.46298	12.5
196.06140	12.8
215.18976	12.7
216.75566	13.2
507.29175	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	507.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
55.01857	5.3
55.05516	21.2
57.07062	13.9
57.81112	3.5
64.54375	3.9
66.11996	4.1
67.05492	41.5
69.03427	14.3
69.07072	33.5
70.66412	3.6
71.05006	5.0
71.19889	3.2
71.58019	4.7
79.05490	31.0
81.03417	11.0
81.07053	100.0
83.04971	4.2
83.08620	14.4
85.02885	27.2
85.06541	80.1
91.05479	17.4
93.07047	46.5
95.04982	5.8
95.08598	71.7
97.02881	6.6
97.06539	7.4
97.10173	13.0
99.08082	17.4
103.05517	6.1
105.07052	23.5
107.04945	4.9
107.08584	40.7
109.02871	9.1
109.06505	4.3
109.10159	48.0
111.08086	9.9
111.11698	10.4
115.05398	6.3
119.04908	6.4
119.08561	12.4
121.06518	8.1
121.10131	30.2
123.07996	5.6
123.11713	31.1
125.09643	12.8
127.03924	7.8
127.11195	6.8
131.04929	4.9
131.08623	5.7
133.06448	4.1
133.10143	10.7
135.11682	23.9
137.05995	17.7
137.09668	6.1
137.13246	23.6
139.11191	7.4
143.08585	3.9
145.10120	6.1
147.08156	4.4
147.11716	8.4
148.11200	8.6
149.05984	4.6
149.09650	7.5
149.11562	5.3
149.13271	34.6
151.07605	5.2
151.11145	5.0
153.01826	16.8
153.12714	6.0
158.04268	4.6
161.09621	4.3
161.13231	5.4
163.11276	5.0
163.14839	13.7
167.07010	10.4
167.14388	4.9
177.05487	4.6
177.16359	8.3
187.07578	6.0
189.12773	7.9
193.08549	6.8
203.17947	4.7
205.19489	4.8
213.18492	9.9
217.19550	8.2
225.14806	8.9
273.25885	6.3
279.26794	11.1
291.26904	18.6
297.28027	5.3
301.13400	4.4
305.48587	4.1
309.27936	21.8
327.28751	7.3
417.30219	4.5
425.30850	4.9
507.20694	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	507.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.3
55.05511	4.5
57.07063	2.1
59.04992	0.7
65.03937	0.7
65.56797	0.6
67.05506	11.7
68.48615	0.6
69.03426	2.6
69.07072	11.2
71.04996	1.5
71.08619	0.7
71.56602	0.6
71.58060	1.0
79.01841	2.9
79.05470	3.4
79.27755	0.6
81.03412	2.3
81.07059	20.4
82.07314	0.8
83.04974	3.4
83.08627	4.3
85.02903	3.9
85.06544	3.6
91.05489	3.3
93.07047	8.9
95.04976	1.4
95.08607	16.6
97.02901	1.2
97.06530	1.9
99.04439	1.1
99.08073	1.3
101.41005	0.8
105.07021	3.6
107.08588	8.0
108.08967	0.9
109.02890	1.8
109.06498	2.4
109.10155	25.7
111.08070	3.5
111.11709	2.0
113.09582	0.8
119.08588	8.1
121.06484	1.0
121.10154	6.6
123.08068	2.7
123.11723	6.9
125.02341	1.9
125.09688	1.0
127.03922	5.3
127.11203	1.1
131.08565	1.0
133.10165	5.0
135.11682	15.9
136.12010	0.9
137.05936	1.3
137.09615	5.4
137.13235	3.7
139.07555	0.8
139.11179	1.5
143.03383	4.6
147.11691	1.3
149.13268	5.3
151.11195	1.7
151.14816	1.8
153.01826	100.0
153.12733	3.5
154.02209	3.8
154.12949	0.8
155.14314	1.2
161.13263	1.3
165.09157	0.8
167.07048	1.1
167.14293	1.0
171.11768	1.2
171.13741	0.9
175.14807	5.1
189.12720	1.4
191.14214	0.8
193.08296	0.7
193.15874	10.1
207.13820	1.6
211.16924	5.3
273.25702	1.0
279.26807	1.3
291.26871	2.9
297.06149	3.3
297.27899	0.8
309.27863	4.3
345.30096	1.3
355.06479	1.1
392.07739	0.8
454.91269	0.9
468.37946	0.7
507.17169	9.0
507.24005	0.9
508.18564	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.4
55.01867	9.0
55.05512	28.0
57.03438	20.8
57.07064	8.7
59.04970	2.1
61.02922	8.9
63.00583	1.9
63.06200	2.1
67.05504	45.7
69.03426	41.9
69.06721	4.0
69.07067	50.4
70.15722	10.7
71.04990	10.3
73.02919	7.0
79.05489	32.8
81.03421	23.5
81.07056	67.0
83.04986	5.5
83.08621	23.5
85.02904	100.0
85.06542	7.3
87.04452	4.2
91.03992	2.4
91.05484	23.4
93.07042	34.2
95.04958	9.1
95.08607	55.8
97.02883	26.2
97.06528	11.0
97.10168	15.2
99.04448	9.6
99.08102	5.1
103.03942	3.7
105.07036	19.1
107.04956	3.6
107.08595	20.6
109.02874	17.7
109.06543	5.0
109.10155	28.4
111.08086	10.5
111.11732	11.5
115.03835	2.9
119.08569	15.5
121.06512	4.5
121.10140	26.4
123.04450	2.2
123.08093	2.8
123.11704	33.9
125.05976	4.4
125.09639	6.0
127.03912	21.6
129.05482	5.5
129.07027	3.2
131.08580	3.9
133.06480	3.2
133.10152	13.7
135.11707	17.6
137.05983	6.3
137.09628	6.3
137.13287	7.3
139.07550	18.5
139.11192	4.6
142.76866	2.4
145.04967	9.8
145.10130	9.2
145.77849	2.2
146.99829	2.1
147.11711	17.1
149.09634	5.1
149.13269	10.4
151.11145	5.5
151.14799	4.0
153.01826	13.9
153.12762	7.1
154.05031	2.9
159.08121	2.5
159.11621	2.8
161.09547	3.6
161.13261	6.9
163.14803	3.3
165.12782	5.1
169.12308	3.0
171.13831	2.5
171.38676	2.4
175.14824	4.6
177.09106	4.7
189.12755	17.0
193.19559	2.6
205.08688	3.6
207.13831	20.4
207.68791	2.3
217.19495	19.2
225.14879	3.6
235.20569	19.8
253.21603	9.2
309.24228	9.1
309.27850	4.3
327.25320	56.3
345.26321	25.6
352.90323	2.6
471.29657	2.9
473.56036	2.6
507.23444	2.6
507.32144	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	507.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.4
55.01867	9.0
55.05512	28.0
57.03438	20.8
57.07064	8.7
59.04970	2.1
61.02922	8.9
63.00583	1.9
63.06200	2.1
67.05504	45.7
69.03426	41.9
69.06721	4.0
69.07067	50.4
70.15722	10.7
71.04990	10.3
73.02919	7.0
79.05489	32.8
81.03421	23.5
81.07056	67.0
83.04986	5.5
83.08621	23.5
85.02904	100.0
85.06542	7.3
87.04452	4.2
91.03992	2.4
91.05484	23.4
93.07042	34.2
95.04958	9.1
95.08607	55.8
97.02883	26.2
97.06528	11.0
97.10168	15.2
99.04448	9.6
99.08102	5.1
103.03942	3.7
105.07036	19.1
107.04956	3.6
107.08595	20.6
109.02874	17.7
109.06543	5.0
109.10155	28.4
111.08086	10.5
111.11732	11.5
115.03835	2.9
119.08569	15.5
121.06512	4.5
121.10140	26.4
123.04450	2.2
123.08093	2.8
123.11704	33.9
125.05976	4.4
125.09639	6.0
127.03912	21.6
129.05482	5.5
129.07027	3.2
131.08580	3.9
133.06480	3.2
133.10152	13.7
135.11707	17.6
137.05983	6.3
137.09628	6.3
137.13287	7.3
139.07550	18.5
139.11192	4.6
142.76866	2.4
145.04967	9.8
145.10130	9.2
145.77849	2.2
146.99829	2.1
147.11711	17.1
149.09634	5.1
149.13269	10.4
151.11145	5.5
151.14799	4.0
153.01826	13.9
153.12762	7.1
154.05031	2.9
159.08121	2.5
159.11621	2.8
161.09547	3.6
161.13261	6.9
163.14803	3.3
165.12782	5.1
169.12308	3.0
171.13831	2.5
171.38676	2.4
175.14824	4.6
177.09106	4.7
189.12755	17.0
193.19559	2.6
205.08688	3.6
207.13831	20.4
207.68791	2.3
217.19495	19.2
225.14879	3.6
235.20569	19.8
253.21603	9.2
309.24228	9.1
309.27850	4.3
327.25320	56.3
345.26321	25.6
352.90323	2.6
471.29657	2.9
473.56036	2.6
507.23444	2.6
507.32144	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	507.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	17.6
55.05509	35.9
57.03426	13.6
57.07101	5.2
59.04976	6.5
63.07794	4.5
65.03949	6.9
67.05500	75.7
69.03416	8.1
69.07071	24.5
71.05009	9.7
71.58246	8.9
75.73564	4.5
79.05494	100.0
81.03414	23.8
81.07054	75.4
83.01342	10.4
83.04974	32.3
83.08614	25.3
85.02898	8.3
85.06520	7.2
91.05478	79.4
93.07040	87.4
95.04958	39.2
95.08605	46.3
96.86134	4.7
97.06544	14.4
97.10172	9.8
99.08065	5.6
105.07015	60.3
107.04954	22.0
107.08598	41.4
109.06547	11.9
109.10157	20.0
111.04402	6.5
111.08081	11.7
117.07028	20.6
119.08587	42.1
121.06549	7.6
121.10113	25.3
123.08057	12.4
123.11726	7.4
125.09675	8.9
129.07005	17.0
131.08556	14.3
133.10162	21.3
135.08032	6.1
135.11700	18.0
137.09680	6.7
139.05075	4.6
143.08542	15.0
145.10147	33.9
147.08017	10.3
147.11673	38.0
149.09633	8.0
149.13263	6.9
153.12740	11.4
159.11699	9.3
161.09621	6.6
161.13261	11.0
163.11169	29.1
171.11703	31.6
173.09651	6.6
173.13298	8.0
181.12212	11.5
189.12794	12.8
191.10695	7.4
207.13806	25.5
209.11739	7.1
211.13303	5.6
221.15311	7.2
223.13272	7.8
223.92126	5.1
225.11249	6.1
225.14961	6.4
227.12781	14.9
278.16229	5.2
281.17453	29.7
283.15378	63.8
287.87265	5.5
307.73700	5.2
355.70258	5.3
489.28378	63.1
507.29868	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	13.4
55.01868	22.5
55.05510	37.9
57.03434	9.9
57.07063	11.3
59.05029	3.8
60.61562	3.3
60.72281	2.9
61.91700	3.0
67.05505	91.1
69.03431	7.7
69.07060	25.8
71.05004	7.6
71.58617	4.5
71.58981	4.2
79.05497	100.0
81.03423	27.6
81.07059	97.5
82.04206	7.7
83.04980	33.4
83.08619	20.0
85.06548	4.6
85.90279	3.2
91.05482	71.7
91.45359	3.2
93.07041	79.9
95.04974	47.7
95.08611	51.8
97.02889	5.7
97.06540	16.1
97.10166	9.5
98.07314	6.8
99.08121	4.3
105.07035	62.5
107.04967	24.5
107.08604	34.0
109.06519	11.7
109.10169	28.0
111.08094	9.6
115.05492	2.9
117.07017	17.9
119.08595	36.2
121.06504	11.3
121.10140	23.7
123.08065	15.4
123.11701	9.9
125.09634	11.4
127.07530	3.6
129.07034	19.5
131.08585	12.4
133.06503	4.6
133.10150	22.3
135.08073	4.8
135.11685	21.2
143.08580	11.8
145.06493	6.8
145.10155	17.9
147.08031	6.3
147.11685	44.9
149.09563	4.5
149.13283	7.8
153.12753	5.2
155.08585	3.8
159.11710	6.8
161.09608	7.3
161.13257	13.2
163.11182	9.3
165.12814	5.7
169.10201	3.9
171.06604	5.9
171.11638	22.6
177.12794	5.0
181.12253	5.4
187.11220	5.1
189.12752	8.9
191.10786	3.9
197.93298	3.0
205.12361	6.5
207.13815	20.3
216.73108	3.3
227.12788	7.5
230.03525	3.0
241.14430	7.3
255.15977	6.4
267.15927	8.2
279.15924	24.4
281.17520	11.7
283.15527	8.1
329.90039	3.0
335.18494	7.6
431.31491	5.0
435.27246	7.6
471.34732	7.5
489.28421	6.6
507.29376	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	507.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88583	2.0
53.03941	8.9
55.01857	8.1
55.05501	9.2
57.03426	7.6
57.07073	3.3
57.11531	2.4
59.96582	2.2
63.16574	2.3
65.03947	2.6
67.05499	17.3
69.03432	20.4
69.07076	11.3
71.04986	4.1
71.58408	4.1
73.02895	3.6
77.03919	2.5
79.05054	4.2
79.05492	48.6
81.03418	17.2
81.06587	3.6
81.07056	50.0
83.04985	5.2
83.08612	9.3
85.02901	100.0
91.05473	40.3
93.07039	44.3
95.04973	22.6
95.08607	23.1
97.02892	11.2
97.06512	6.8
99.04425	4.5
103.05497	2.5
105.07034	17.9
107.04932	2.9
107.08611	15.1
109.02856	9.1
109.06496	9.3
109.10152	16.0
111.04457	3.8
111.08054	13.2
117.07038	4.9
119.04928	3.0
119.08572	16.5
121.06527	17.2
121.10127	16.3
123.08069	5.9
123.11708	98.3
124.12043	2.4
125.05991	53.9
125.09631	4.8
127.03889	13.9
129.07030	5.5
131.08533	6.6
133.06465	7.3
133.10146	7.6
135.07996	5.9
135.11716	4.0
137.05995	11.8
137.09586	5.1
139.07539	49.3
139.11200	2.6
145.04991	3.4
145.06451	4.3
145.10095	9.2
147.08020	5.5
147.11693	20.2
149.05945	3.6
149.09653	11.9
149.13235	3.6
151.07539	10.8
151.11275	2.9
153.01826	5.3
153.12680	2.8
159.08075	3.1
159.11636	3.7
161.06076	3.5
161.09575	3.2
163.07558	5.6
165.09109	4.3
167.07048	5.7
171.11691	4.4
175.07515	3.7
175.14758	2.6
177.05496	5.8
177.09087	8.9
181.04979	5.5
182.05627	2.4
187.07614	2.9
187.14807	2.4
189.09123	3.4
189.12717	25.7
191.06969	3.7
205.08617	10.3
207.13811	45.2
217.19597	3.2
225.14824	67.0
226.15025	2.8
229.08737	3.0
235.20659	3.1
239.27908	2.4
265.10696	5.1
321.10977	3.1
327.25244	5.4
333.11404	5.9
335.09283	2.8
339.12527	2.8
365.13736	6.0
383.14871	12.4
485.44128	2.6
507.21323	3.7
507.25714	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	507.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
54.43804	1.1
55.01885	2.4
55.05503	3.2
56.25002	1.0
57.03423	1.3
57.95293	1.1
59.04992	1.3
64.16508	0.9
67.05507	4.3
69.03436	4.0
69.07065	3.8
71.04984	2.3
79.05493	11.2
81.03401	3.2
81.07062	6.1
83.04975	2.2
83.08642	0.9
85.02881	4.9
91.05488	9.3
93.07052	9.7
95.04971	7.2
95.08619	5.2
97.02886	1.3
97.06516	2.6
105.07033	23.1
107.04945	1.6
107.08595	7.7
108.64741	1.1
109.02889	1.6
109.06538	3.6
109.10162	2.9
111.08083	2.7
117.07066	1.6
119.04924	7.4
119.08588	16.0
121.06483	5.5
121.10147	5.7
123.08076	4.4
123.11681	1.7
127.03924	2.0
129.07030	1.3
131.08583	4.6
133.06499	10.2
133.10123	7.3
135.08080	2.9
135.11641	1.6
137.06004	4.4
137.09691	2.6
139.07594	8.2
141.07018	1.1
143.08571	7.5
145.06569	1.4
145.10107	5.7
147.08087	7.4
147.11684	8.9
149.09618	31.8
149.10753	2.1
151.04030	1.3
151.07585	2.1
153.01833	1.1
156.09338	7.2
157.10141	1.4
159.11693	5.0
161.05962	2.1
161.09595	1.7
161.13268	10.5
163.07600	1.5
163.11214	2.9
163.14812	1.1
165.12720	2.4
171.11723	12.8
175.07581	1.1
181.05099	1.3
183.11739	1.6
187.11205	1.4
189.12744	47.6
191.14307	7.6
197.13068	1.3
207.13805	100.0
208.14069	2.1
208.23212	1.1
225.12712	1.4
229.64612	1.2
237.18967	1.1
273.09042	1.9
305.08167	2.0
321.11340	1.7
333.11243	4.2
337.10858	1.4
339.12317	1.8
351.12283	1.3
365.13998	5.9
383.14911	8.5
488.91830	1.1
507.21417	1.9
512.06677	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.9
54.76897	4.1
55.01859	17.3
55.05492	17.6
57.03432	11.3
57.07064	7.3
67.05506	34.1
69.03434	30.6
69.07058	19.4
69.31708	3.9
69.42937	32.9
70.76181	4.3
71.04971	9.5
73.02925	4.4
77.23804	3.5
79.05069	4.4
79.05486	46.7
79.16124	3.4
81.03412	18.9
81.07063	33.4
82.51717	4.4
83.04961	19.3
83.08610	13.1
85.02901	42.2
85.06529	10.1
86.52988	4.4
91.05474	39.3
93.06476	7.1
93.07042	100.0
95.04978	24.0
95.08612	50.3
97.02881	25.3
97.06516	11.9
97.10141	5.8
98.20782	9.2
99.04459	14.3
105.07020	28.2
107.08597	23.7
109.02870	22.9
109.06506	16.0
109.10123	17.4
111.04423	6.2
111.08050	15.9
113.05963	5.2
115.05373	5.4
117.06980	7.9
119.04889	5.0
119.08576	30.5
121.06491	39.9
121.10122	16.6
123.08064	30.5
123.11679	4.3
125.06020	5.2
126.35175	3.8
127.03902	23.8
128.06184	4.7
131.08583	9.6
133.06488	8.5
133.10150	25.1
135.08040	8.7
135.11676	11.4
137.02341	13.4
137.05962	16.2
137.09615	11.6
137.13203	4.1
139.07524	52.8
143.08583	4.7
145.10080	9.7
146.13580	4.8
147.08005	11.9
147.11681	14.4
149.09618	45.4
151.07544	7.9
151.11171	7.0
156.09297	6.3
159.08049	9.2
159.11658	6.6
161.09576	5.7
161.13228	17.7
163.07498	8.2
163.11189	12.6
170.21497	4.3
171.11693	8.4
173.13248	6.2
174.10352	13.3
175.07463	11.2
175.11168	7.1
177.05338	4.5
189.12724	59.3
191.14301	20.3
207.13779	69.8
208.00572	4.2
217.19484	8.1
235.20799	6.0
265.10623	8.5
327.25171	14.0
328.21259	4.3
464.27417	4.7
489.24875	6.0
493.14481	4.7
507.32117	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	507.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.1
55.01878	2.3
55.05505	6.2
59.59629	1.6
62.76273	1.7
67.05502	4.8
67.14864	1.7
69.03424	14.4
69.07076	3.7
71.03327	5.0
77.94415	2.0
79.05485	23.3
81.03429	4.8
81.07047	9.9
81.51243	1.7
83.04959	9.6
85.02932	4.5
85.06557	2.9
91.05456	12.0
93.07039	11.9
95.04942	8.7
95.08623	6.6
97.02892	3.5
97.06523	1.8
103.05478	7.1
105.07021	15.2
107.04973	4.6
107.08596	18.9
109.02869	2.2
109.06511	7.2
109.10155	5.0
111.04472	2.7
111.08074	4.9
115.05511	1.7
117.07026	2.6
119.08572	8.3
121.06494	8.9
121.10123	8.3
123.08052	3.7
123.11723	3.4
125.09676	2.1
126.76069	1.9
127.03915	5.0
131.08575	5.5
133.06490	100.0
133.10135	16.1
135.08054	7.8
135.11674	4.5
137.05995	3.7
137.09592	9.2
139.07541	6.2
143.08521	3.4
145.10138	2.2
147.08008	4.6
147.11703	4.9
149.09659	5.0
149.13255	4.4
153.01936	2.5
159.08058	2.5
159.11775	1.8
161.05942	1.8
163.07594	2.5
163.11194	8.0
167.06984	2.7
171.11789	2.0
173.13258	7.7
177.09166	2.6
189.12738	20.0
191.14299	64.4
207.13806	13.6
227.14412	2.0
507.21933	2.4
507.30417	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2227
Annotation	Aviculin
Peak:m/z	Relative Intensity
55.05507	4.5
67.05494	4.8
69.07052	4.6
69.62614	17.9
71.04974	8.7
73.02921	3.1
79.05488	6.0
81.07052	11.1
83.04953	5.8
85.02908	14.3
90.36330	2.7
91.05479	9.1
93.07040	10.0
95.08598	7.9
97.02872	3.8
97.06520	4.2
99.08055	2.8
103.05454	3.2
105.07027	5.2
107.08582	6.9
109.02879	5.4
109.06548	4.1
109.10157	4.4
119.08572	4.6
120.16912	3.2
121.02930	4.3
121.06512	4.2
121.10156	4.5
123.08044	3.9
125.25032	2.8
127.03905	4.6
128.06235	4.1
129.06984	7.0
131.04907	9.2
131.08560	10.7
133.10062	3.6
135.11725	3.7
137.05971	27.7
139.11148	4.8
141.06973	3.7
143.08514	3.4
145.10101	4.3
149.09763	3.1
153.01805	7.8
157.06584	3.9
159.08067	6.3
161.05972	3.5
163.07547	3.9
167.06982	3.9
169.06442	5.4
174.06731	13.5
175.07495	7.6
176.08109	2.6
177.05476	5.3
189.09082	25.3
195.07741	2.9
196.17104	3.0
201.09097	8.5
203.10690	3.2
219.08337	3.6
219.10144	100.0
245.38138	2.9
255.54350	3.3
310.11426	2.9
444.59970	3.0
507.21869	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	506.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.9
53.99485	4.4
55.05514	23.8
57.03438	4.9
65.03941	8.1
67.05508	8.9
69.03426	32.8
81.03418	35.3
83.04983	100.0
85.02899	18.5
91.70382	4.6
93.03397	16.4
97.02894	47.7
98.20774	17.1
108.04475	10.4
109.02861	22.9
111.04443	62.1
121.02863	20.1
127.03910	34.3
139.03893	83.6
144.33247	4.2
145.04967	18.7
153.01859	24.8
155.01619	5.6
157.04955	63.1
158.53850	4.8
255.08623	12.6
259.02472	5.0
262.92664	5.3
279.22934	4.7
283.08176	17.3
301.09100	41.7
303.01416	12.8
313.80664	5.6
319.10147	29.9
359.39316	5.3
521.63049	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	506.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.05504	1.6
57.84737	1.1
69.03426	3.2
70.92806	1.7
70.93145	2.0
79.05492	10.1
81.03407	2.1
83.08623	1.0
85.02904	3.8
91.05465	5.2
93.07040	6.8
95.04969	3.9
97.02877	2.4
105.94749	0.9
111.44295	0.9
121.06503	3.0
127.03946	1.3
132.04453	7.0
137.02290	1.4
139.07578	4.8
178.03694	1.3
178.04994	68.1
206.04489	100.0
207.04926	1.6
251.91383	0.9
295.74518	1.0
303.04877	3.0
327.05072	8.0
329.24240	1.0
344.07669	5.6
408.19128	1.3
488.15903	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01878	2.9
55.31350	1.0
57.03435	4.6
57.69662	1.0
61.02925	10.0
69.03426	17.0
69.07047	1.2
69.93734	4.2
70.06585	1.0
71.04992	3.3
73.02917	3.4
77.54280	1.0
79.05471	1.8
81.03417	10.0
81.07059	2.3
85.02904	100.0
87.04484	1.3
91.03954	4.8
91.05482	1.2
93.07044	1.8
95.04927	1.7
95.08547	1.0
97.02892	26.5
97.71960	0.9
98.21460	1.3
99.04436	3.9
105.07034	9.5
109.02868	8.0
111.04472	1.2
119.08539	1.0
121.57393	1.3
124.05196	15.0
127.03915	26.5
133.06483	8.0
137.05972	17.5
144.06549	1.5
145.04956	44.2
153.01833	2.5
153.12791	1.2
161.05939	1.0
163.06033	11.6
165.09122	40.3
174.13467	1.1
177.05447	1.2
210.37912	1.0
325.11050	1.2
445.93011	1.1
506.20392	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	505.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.2
54.44321	0.9
54.65029	0.8
55.01860	1.3
55.05508	14.1
57.03439	1.7
57.07074	43.9
65.03955	2.1
67.05505	28.9
69.03422	2.6
69.07070	11.7
70.18313	1.3
70.18711	1.9
71.04986	1.7
71.08237	1.8
71.08627	31.9
79.05489	15.8
81.03414	100.0
81.07052	33.1
83.04981	3.3
83.08616	28.2
83.09116	1.2
85.06541	1.5
85.10175	16.0
91.05476	21.3
93.07050	9.3
95.04967	27.0
95.08603	30.0
97.02844	1.6
97.06504	1.4
97.10161	9.1
97.58205	0.9
99.11722	1.2
99.43855	0.8
105.07025	13.1
107.04960	5.5
107.08589	3.0
109.06533	2.7
109.10154	15.7
111.08077	7.9
111.11734	2.9
115.05453	1.3
116.06190	0.7
117.06980	1.2
119.08577	11.9
121.06481	1.9
121.10119	5.2
123.04380	1.0
123.08047	1.3
123.11703	6.5
125.09616	1.1
125.13274	1.4
129.06990	8.6
131.08560	8.2
133.06483	3.1
133.10130	3.2
137.09666	1.2
137.13269	1.6
142.07806	3.3
145.10133	1.3
147.08063	3.4
147.11697	7.0
149.09628	4.6
149.62491	0.9
157.10149	8.2
165.12758	1.8
165.16354	1.0
175.11195	10.3
177.04448	0.9
178.77963	0.8
193.12233	50.6
202.88829	0.9
213.12744	0.8
221.13029	0.8
221.22658	1.3
239.23657	8.9
249.14856	6.0
249.22414	0.8
429.17365	0.9
455.90656	1.2
505.38858	68.6
506.39252	2.6
534.67761	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84191	1.0
53.03943	1.4
55.01874	1.4
55.05490	1.2
56.05019	1.5
57.03444	1.0
58.72260	1.0
60.04518	2.3
67.05500	1.9
68.05045	0.9
68.30375	1.0
69.03413	4.0
69.70930	6.9
70.06569	2.3
71.04971	3.0
73.02882	1.1
79.05485	2.3
80.04996	2.0
80.19504	1.0
81.03423	4.5
81.07024	3.1
83.04980	1.7
84.04498	14.0
85.02892	2.8
87.60328	0.9
91.05482	1.7
93.07021	1.1
95.04978	1.0
95.08578	1.7
96.04491	19.9
97.02913	5.8
98.06042	9.9
99.04438	2.1
101.02393	0.9
107.08586	1.1
109.02862	6.9
109.06490	1.7
116.43058	0.8
126.05515	27.7
127.03896	3.7
131.05025	0.9
137.05959	5.0
138.05496	100.0
144.06558	28.4
153.01825	3.0
168.06551	24.5
176.07054	1.7
178.62537	1.0
181.08664	1.0
186.07608	29.9
187.07576	1.6
204.08678	28.3
229.04962	1.8
257.04416	1.0
291.10114	1.3
302.06329	1.1
303.04993	16.0
311.12906	1.3
323.01926	1.1
323.12451	1.5
334.40039	1.0
341.13733	2.8
485.55292	1.0
506.17282	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	12.1
55.01856	7.4
55.05513	91.5
57.03415	7.5
65.03944	6.0
66.68968	5.2
67.05507	98.0
68.12430	5.5
69.03429	10.3
69.07056	34.0
71.05007	6.3
71.58115	7.8
71.58505	7.6
77.38384	5.7
79.05495	91.4
81.03430	7.7
81.07058	92.8
83.04966	8.6
83.08617	52.3
83.36671	6.4
91.05460	42.5
93.07040	100.0
94.34801	5.3
95.04957	9.5
95.08621	49.5
97.10170	89.9
99.08131	7.3
105.07020	26.6
107.08589	73.3
109.10146	47.0
111.08093	7.8
117.07014	8.7
119.08601	20.3
121.10143	35.9
123.08016	9.9
123.11694	13.7
125.09636	77.0
131.08568	22.7
133.10121	19.9
135.08098	11.1
135.11710	29.5
145.10144	19.6
147.11649	15.0
149.13293	9.7
153.09171	8.4
161.13252	13.6
171.10117	8.9
173.13284	11.9
187.14801	7.9
189.11218	75.0
226.57053	6.5
227.12750	56.5
261.22107	32.0
264.35193	5.7
317.24615	10.6
338.21829	6.1
487.34293	9.7
505.35477	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72000	0.9
53.03940	6.1
55.01856	2.6
55.05508	15.3
57.03437	1.9
57.07071	46.8
65.03934	2.1
67.05500	33.5
69.03423	2.4
69.07067	13.7
70.17233	1.1
71.04982	2.1
71.08627	36.5
79.05489	15.0
81.03413	100.0
81.07050	35.4
83.04981	3.3
83.08611	31.5
85.06532	1.9
85.10178	16.8
91.05471	22.4
93.07039	11.6
95.04962	25.8
95.08602	35.0
97.02882	2.3
97.06507	2.9
97.10173	9.7
98.21527	2.0
99.08080	1.1
99.11735	1.7
105.07024	15.9
107.04976	6.1
107.08604	4.7
109.06535	4.2
109.10147	17.7
111.08064	7.0
111.11715	2.8
115.05419	1.9
117.06990	3.0
119.08576	12.1
121.06483	3.0
121.10161	5.8
123.04481	1.3
123.08067	1.5
123.11700	7.7
125.13284	1.4
129.07004	10.0
131.08546	10.5
133.06494	3.0
133.10123	4.6
135.11742	1.5
137.09598	1.7
137.13255	2.9
142.07793	3.9
143.75247	1.1
145.10124	2.0
147.08049	3.2
147.11673	6.1
149.09615	4.9
153.42934	1.0
157.10135	9.1
161.09648	1.2
165.12747	1.7
175.11174	11.8
193.12230	53.3
221.22697	1.1
229.34024	1.5
231.13904	1.1
235.59178	1.0
239.23677	8.4
249.14827	6.1
505.38861	72.9
506.39279	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	505.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	10.2
55.05507	42.3
57.03452	11.5
67.05492	43.7
69.07066	72.5
71.04988	22.5
78.90312	12.9
79.05481	43.3
81.07069	100.0
83.08648	17.9
85.02905	18.6
91.05479	45.1
93.07058	94.9
95.04955	26.2
95.08618	79.6
97.06531	27.2
105.07031	39.6
107.08616	73.6
109.06511	15.4
109.10162	64.4
119.08588	40.6
121.10161	45.5
123.08116	15.9
123.11687	29.3
129.06964	11.3
133.10149	28.2
135.11697	41.4
137.05988	41.6
137.13252	17.7
145.10101	24.3
147.11621	11.8
149.09569	11.4
149.13301	30.6
159.11732	14.5
171.11670	11.4
189.12791	12.6
189.16089	11.9
289.25388	16.4
295.26297	19.3
307.26303	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3525
Annotation	6beta-Hydroxyhovenic acid
Peak:m/z	Relative Intensity
52.40505	2.2
53.75299	2.6
55.05513	16.1
57.03428	7.5
57.07066	5.2
59.04994	5.7
67.05505	100.0
69.07075	25.9
71.04980	5.0
71.08627	3.2
73.22186	2.3
79.05485	21.6
81.03404	2.9
81.07053	42.1
83.04949	4.9
83.08614	21.0
85.02930	2.9
85.06533	3.5
86.92262	2.4
89.40445	2.3
91.05466	32.3
93.07039	29.4
95.04942	5.7
95.08610	36.5
97.06539	4.9
97.10147	6.7
99.08073	4.7
105.07022	33.1
107.08596	28.3
109.06539	3.5
109.10152	78.7
111.08054	7.5
111.11700	2.5
113.09663	3.8
117.07030	6.6
119.08588	37.7
121.06510	4.2
121.10138	27.7
123.08083	6.0
123.11707	11.3
125.09629	3.5
129.06996	6.6
131.08607	12.3
133.10114	30.3
135.08025	8.4
135.11684	22.1
137.09627	6.8
137.13243	5.8
141.09047	3.1
143.08569	5.8
145.10112	16.3
147.11676	25.9
149.09598	3.8
149.13229	9.6
151.14780	3.3
153.09070	4.6
157.10139	8.9
159.11717	17.1
161.09653	4.6
161.13295	14.9
163.11150	5.4
163.14830	4.0
165.12727	3.3
169.10132	5.4
171.10262	4.8
171.11693	11.3
173.11720	20.0
173.13246	9.5
175.11232	4.3
175.14845	6.0
177.16357	2.9
179.10616	2.5
185.13235	8.3
187.14755	5.3
189.12741	8.3
189.16376	4.0
191.14194	3.2
191.18120	3.6
197.13277	2.8
199.14764	3.9
203.14270	3.0
205.19482	4.3
227.12764	5.4
229.14343	41.7
239.42316	2.5
241.19463	18.6
245.24431	3.0
259.20572	37.7
312.96112	2.6
314.84393	2.9
315.23203	5.7
333.24326	19.2
394.77304	2.4
423.32214	3.1
427.31891	4.0
441.33783	17.6
443.35394	2.9
451.32159	5.1
459.34256	3.4
469.33444	13.0
487.34479	19.3
505.35825	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	505.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86493	1.8
53.03937	3.6
54.34627	1.6
55.01856	1.9
55.05507	4.0
57.03431	2.7
60.02131	4.2
60.44267	2.1
61.02896	2.4
67.05488	6.7
69.03423	17.3
69.07065	5.1
70.04212	6.6
70.04630	3.6
71.04990	3.6
73.02911	3.9
79.05479	6.2
81.03414	15.0
81.07051	6.8
85.02893	16.5
91.05472	6.3
93.07025	8.8
94.04165	3.4
95.04956	7.2
95.08582	8.1
97.02893	10.3
97.10149	2.9
98.20685	1.9
98.27632	1.7
99.04437	7.2
105.06991	3.6
107.04996	1.8
107.08580	7.7
109.02883	2.8
109.06519	3.9
109.10159	3.5
117.06992	3.4
119.08569	8.3
121.02812	2.6
121.06426	2.8
121.10125	5.4
122.03664	3.9
123.08059	2.9
123.11707	3.0
125.09615	3.2
131.04990	2.8
131.08575	2.3
133.06490	2.6
133.10127	5.2
135.08025	3.2
135.11729	2.5
137.05968	8.6
137.09570	2.7
142.53786	2.1
145.10103	4.7
147.07996	2.5
147.11671	2.8
149.06042	2.4
149.13156	2.4
151.07552	5.7
155.07094	5.2
159.08058	4.3
159.11682	2.9
161.09688	2.2
163.07506	2.4
165.05469	51.7
171.11566	2.0
171.64896	2.0
173.13303	2.7
175.07516	4.7
195.08075	4.8
196.08896	1.8
201.09126	1.7
211.07510	1.7
212.08238	2.3
213.09088	5.3
219.08095	2.9
223.07556	2.6
223.11067	1.9
224.08060	3.1
225.09094	5.2
227.10608	2.8
228.11069	2.5
234.10277	2.0
235.07335	2.3
235.11162	4.1
237.09090	5.2
239.06975	4.3
239.10634	7.3
240.07803	4.1
240.11076	2.5
241.08446	5.6
249.08946	3.0
251.07120	2.5
251.10661	8.5
253.08659	9.8
254.09061	3.8
255.10118	4.5
256.10635	3.8
261.09021	2.2
265.08560	3.2
265.12363	3.1
266.13065	4.9
267.06454	4.4
267.10074	8.6
268.10559	3.8
269.07916	5.7
269.11584	1.9
273.96277	1.9
274.39905	2.1
279.03177	1.9
281.08096	6.3
281.11340	2.0
282.08734	8.7
282.12128	3.8
283.09540	5.9
284.10275	17.6
284.13336	2.7
294.12350	3.3
297.11188	50.0
297.14810	26.7
298.11792	34.5
298.15118	4.1
299.12280	25.1
307.09747	3.0
310.11954	4.7
311.12720	8.4
312.13153	4.5
315.16031	9.6
319.09708	2.5
321.11270	3.2
323.12598	2.6
324.13333	3.3
325.14301	19.9
326.14954	8.6
327.15500	18.0
335.12573	3.0
339.12009	2.4
339.16068	2.6
342.14304	5.8
343.15384	100.0
344.15741	3.6
349.14182	4.5
353.13785	3.3
363.12177	2.4
367.15384	9.1
379.15573	9.4
385.16284	9.8
469.18127	4.0
505.20566	25.6
505.27679	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.5
55.01888	5.1
55.05502	11.1
61.99239	5.3
65.53996	6.5
67.05509	14.1
67.30008	5.9
69.03416	6.9
69.07069	40.0
69.37577	24.5
69.38004	33.0
81.07033	36.5
83.04954	6.8
85.02920	11.5
91.05460	8.3
93.07040	7.3
95.08610	17.7
97.06528	5.7
105.07039	9.9
107.08607	9.6
109.10176	19.9
111.11717	13.8
119.08591	9.1
121.10134	15.5
123.11712	17.2
135.11717	10.5
137.06004	13.2
139.11151	6.0
153.01817	6.1
174.03975	8.1
307.26343	19.9
420.49417	6.6
505.16681	100.0
505.23425	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	504.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01842	1.4
55.05511	9.5
56.05024	1.4
56.83071	1.2
57.03436	1.3
57.39477	1.4
67.05492	3.3
69.03436	10.6
69.07060	1.6
69.48158	10.2
71.04967	1.8
71.08320	1.0
71.08630	10.0
72.08132	1.7
79.05511	1.6
81.03407	4.7
81.07047	5.6
82.31696	1.0
83.04982	7.6
83.08610	1.2
85.02905	11.2
86.05576	1.9
86.06062	22.7
86.82333	1.2
87.04486	1.4
93.07046	2.9
95.08612	3.4
96.08134	7.0
97.02895	7.0
98.06059	1.4
98.09689	13.7
99.04443	2.1
99.08083	14.8
100.11250	1.1
101.06006	7.8
105.07019	3.7
107.08604	1.8
108.08098	1.8
109.02878	4.5
109.06522	1.3
109.10143	1.8
111.04450	11.2
114.09191	1.5
116.10727	33.3
118.25769	1.2
119.08578	3.3
122.09715	1.6
127.03904	9.0
129.05472	4.0
133.10052	1.7
137.05949	4.5
142.08627	11.3
143.10651	2.3
145.04956	3.2
146.21053	1.1
147.06557	1.4
147.11652	1.4
149.09581	1.1
154.05106	1.2
154.08698	2.1
155.07069	2.9
164.10747	8.5
173.08112	2.4
175.07576	1.3
182.15424	6.0
190.12274	3.8
196.16919	1.6
198.14856	2.9
208.13338	7.3
214.18004	23.5
226.14369	31.9
233.11780	1.1
240.61572	1.4
243.12251	1.2
244.15437	100.0
245.15794	1.8
261.13431	3.9
270.71542	1.2
282.89203	1.3
286.30344	1.3
314.19345	1.4
342.22656	5.1
352.17609	1.5
370.18442	2.8
376.23242	2.9
388.19717	10.5
406.15704	2.2
406.20688	28.7
416.14609	1.3
486.26935	2.0
504.27542	4.4
530.80646	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53321	1.2
51.97484	1.3
53.03936	3.1
53.32193	1.0
55.01844	1.9
55.05507	5.6
57.03418	1.7
61.02932	1.7
67.05505	1.9
69.03428	10.9
69.07064	2.8
69.43016	11.5
71.01357	1.2
71.08625	12.1
72.08143	1.6
73.02928	2.1
79.05490	4.5
81.03419	5.8
81.07058	7.6
83.04981	7.9
83.07340	1.5
83.08626	2.0
85.02895	11.3
86.06064	21.7
91.05494	3.9
93.07027	4.6
95.05000	2.4
95.08607	5.7
96.08136	6.1
97.02895	8.3
97.06501	2.1
97.22523	1.3
98.09701	9.0
99.04453	2.8
99.08090	16.9
101.06026	4.1
105.07038	5.2
107.08588	4.0
108.08108	1.9
109.02866	3.8
109.06506	1.4
109.10148	4.3
111.04433	6.6
111.08112	1.4
116.10728	30.3
117.07045	1.8
119.08556	4.8
121.06475	1.6
121.10125	2.2
123.11726	1.2
127.03912	9.5
129.05475	3.3
131.04903	1.4
131.08539	3.3
133.10147	3.3
135.10463	1.4
135.11691	1.6
137.05998	5.5
137.09639	2.4
142.08624	9.8
143.10709	1.4
145.04953	3.4
145.10098	2.2
154.08553	1.4
155.07007	2.2
158.10655	1.3
159.11690	2.2
161.05919	1.7
162.12807	1.7
163.11095	1.5
164.10768	5.0
167.07108	2.3
173.08098	2.1
173.13260	4.0
174.13597	3.6
176.85738	1.2
182.15399	5.4
190.12308	4.0
196.16943	1.9
198.14894	2.5
201.94072	1.2
208.13277	6.7
211.16762	1.2
214.18025	19.8
226.14369	28.9
227.14705	1.2
243.12198	1.4
244.15436	100.0
245.15800	3.3
261.13342	4.0
342.22809	4.8
370.18600	1.6
374.94830	1.3
376.23444	1.7
388.19678	4.7
406.20670	26.4
504.27808	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	504.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
54.26617	0.6
55.01886	0.8
65.62889	0.6
69.03420	4.3
70.69877	1.0
71.04939	0.9
76.10317	0.6
79.01849	2.5
81.03418	6.0
85.02895	4.5
91.05466	1.8
93.03397	0.8
93.06995	0.7
96.38036	0.7
97.02872	4.2
99.04439	1.2
107.01303	1.4
109.02887	5.7
125.02352	3.5
127.03915	7.5
137.05966	2.2
143.03387	5.2
145.04970	1.1
153.01826	100.0
154.02205	1.2
171.02885	14.3
190.10666	0.9
207.07547	1.8
208.07906	1.5
211.57036	0.6
257.00671	0.8
279.05045	1.2
297.06131	5.4
315.07098	27.1
324.12668	1.3
341.13376	1.3
342.13803	3.0
504.17621	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	503.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.2
55.01864	2.0
55.05512	52.7
57.03425	3.5
57.07070	13.4
57.27352	1.6
65.03940	2.9
67.05502	33.4
69.07066	45.4
71.05003	3.6
71.08631	7.9
79.05492	27.0
81.03419	100.0
81.07054	48.6
81.07519	2.9
83.04970	3.1
83.08620	53.7
85.06556	4.9
85.10188	4.2
91.05481	25.4
93.07047	17.9
95.04970	27.9
95.08602	11.1
97.06541	2.3
97.10165	35.1
98.20762	3.6
105.07028	20.4
107.04990	6.2
107.08569	10.4
108.55859	1.6
109.06547	1.9
109.10213	5.3
111.08131	5.8
111.11700	8.4
117.07026	1.9
119.08584	15.5
121.06526	3.9
121.10152	11.3
123.11728	5.1
124.38599	1.6
129.07034	7.9
131.08572	11.1
133.06512	2.5
133.10126	11.4
142.07874	1.8
145.10162	2.6
147.07988	2.1
147.11685	9.5
149.09666	3.1
149.13229	2.4
157.10159	10.6
159.11792	2.3
161.13300	1.7
175.11212	9.7
187.13470	2.3
193.12248	32.7
193.13821	2.5
237.22151	1.8
249.15062	6.5
379.91400	1.8
412.74121	1.9
452.68283	1.7
503.37521	77.5
504.37997	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.7
55.01860	6.9
55.05512	28.4
57.03436	9.0
57.07071	8.0
59.05000	6.0
65.03941	3.6
67.05500	30.8
69.03423	24.1
69.07063	97.2
69.43625	32.0
71.04992	12.1
71.93255	3.5
77.58771	3.7
79.05482	36.8
81.03414	7.4
81.07058	100.0
83.04977	9.2
83.08607	9.6
85.02901	49.1
85.06541	13.6
91.05425	26.4
93.07042	77.3
95.04966	25.1
95.08598	65.9
97.02856	18.7
97.06522	14.3
97.10170	4.6
99.04454	8.4
99.08083	7.8
100.57949	3.5
105.07025	51.7
107.04949	7.6
107.08601	46.5
109.02854	9.4
109.06535	17.7
109.10152	34.1
111.08063	10.9
111.11719	26.8
117.07021	8.8
119.04956	5.0
119.08559	38.3
121.06506	9.0
121.10134	68.0
123.08080	12.9
123.11690	41.0
125.09652	14.8
127.03902	9.0
127.07547	4.5
127.11189	5.0
129.07025	6.8
131.08572	15.8
133.10130	75.4
135.08055	7.3
135.11678	17.2
135.92197	3.8
137.05963	33.0
137.09622	10.4
137.13316	6.8
138.46925	3.9
139.11160	26.7
143.08620	7.5
145.10133	23.0
147.11682	23.3
149.09605	10.7
149.13258	15.6
151.11176	11.2
153.01852	14.4
157.10136	10.3
159.11681	22.9
161.13261	10.6
163.11232	6.7
163.14813	6.8
165.12750	8.9
167.05504	5.4
167.06926	7.8
167.10741	5.2
171.11720	4.9
173.13287	12.1
175.07518	8.6
175.11201	10.9
177.05594	4.4
177.09067	6.7
177.12782	4.7
185.13190	5.8
187.14891	8.4
199.11395	4.5
199.15001	5.1
232.91200	4.1
275.23688	3.9
276.79987	4.4
280.31113	4.6
283.37558	3.7
284.03503	4.6
287.23666	9.2
299.06140	6.2
305.24789	18.0
323.25784	16.2
341.26877	12.3
503.33130	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	503.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54825	0.3
55.05512	0.6
57.03432	0.3
57.54652	0.3
67.05492	1.2
69.03415	0.3
69.07050	0.4
69.24653	2.3
69.25075	1.0
79.05502	0.4
81.03404	0.7
81.07051	1.2
83.08629	0.5
83.55994	0.3
85.06561	0.3
91.05486	0.7
93.07043	1.3
95.04954	0.5
95.08588	1.2
105.07019	0.9
107.08577	0.9
109.10139	0.5
115.05439	0.3
117.07023	0.3
119.08574	1.1
121.10131	0.9
123.04439	0.3
123.11710	0.6
131.08519	0.4
133.10074	0.5
135.11679	0.4
137.05969	0.5
137.09677	0.3
145.02895	0.3
145.10083	0.8
147.11688	0.5
155.96756	0.3
157.10077	0.4
161.09567	0.4
163.00105	0.3
163.11223	0.5
173.13202	0.6
217.12175	0.3
284.65683	0.3
299.06015	0.4
323.19818	8.4
323.23444	0.6
325.21484	2.9
341.20859	9.9
503.26135	100.0
504.26532	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	503.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01852	2.1
55.75577	0.5
57.03445	3.2
57.79669	0.5
61.02924	3.1
63.30904	0.6
69.03431	16.9
71.04990	5.5
71.56583	0.9
73.02898	2.1
81.03418	23.6
85.02904	16.0
87.04458	1.2
91.03980	0.6
91.05823	1.2
97.02371	0.6
97.02894	6.8
99.04462	5.4
109.02888	2.8
117.05449	1.0
125.02354	0.5
127.03942	4.7
132.94264	0.5
133.07599	2.9
134.05960	0.7
135.09157	0.6
137.05939	0.7
143.03383	1.2
145.04939	2.3
153.01825	11.8
154.02078	0.7
161.05928	0.9
161.07106	7.7
163.08618	5.4
167.05522	0.8
171.02875	1.2
178.07317	1.6
179.08141	1.5
189.06618	6.7
191.08200	5.5
207.07646	100.0
208.07965	0.8
210.97881	0.6
219.07758	0.9
249.08720	2.0
259.10718	0.7
299.06149	1.2
303.01331	0.6
305.11319	2.0
315.07047	2.1
323.12375	35.3
324.12811	0.8
341.13434	74.9
342.13840	1.2
344.97546	0.7
489.81332	0.7
493.42911	0.6
503.17374	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	503.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	16.5
53.81876	8.7
55.01873	16.7
55.05504	20.5
56.83627	8.7
62.37475	7.5
65.03939	10.6
67.05496	33.9
68.68148	9.3
69.03422	36.5
69.07055	16.6
70.06592	14.8
71.04980	23.0
71.57316	16.0
79.05485	93.1
81.03412	48.3
81.07037	46.4
83.04987	22.7
83.08646	14.8
85.02902	70.8
85.06523	14.8
91.05486	44.3
93.07033	100.0
95.04958	38.9
95.08595	27.7
97.02909	23.3
97.06547	9.8
103.05522	13.5
105.07021	45.9
107.04990	17.7
107.08604	28.3
109.02898	22.2
109.06532	19.6
109.10179	15.4
111.04415	15.8
111.08072	17.8
116.30919	9.9
119.02337	9.8
119.08557	36.1
121.06507	22.5
121.10120	16.0
123.08040	17.8
127.03916	21.4
129.07048	16.8
131.04959	10.9
135.11639	14.4
137.05946	49.9
137.09634	11.3
137.33186	8.8
139.07529	48.3
145.04988	9.7
147.08060	14.1
149.09653	51.4
151.11186	14.1
152.98901	8.7
153.01834	45.5
161.06020	17.9
163.07538	12.6
167.05682	20.3
167.07062	40.3
168.07353	13.5
175.07558	21.1
177.05435	28.3
183.01292	8.9
191.06973	10.7
209.15498	26.8
217.08778	10.6
265.10800	13.8
299.06256	18.9
311.12607	9.8
323.25876	10.8
503.20889	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05086	2.8
53.03942	3.9
55.01868	4.9
55.05504	10.0
57.00885	3.1
57.03444	5.8
67.05512	18.3
69.03416	15.3
69.07065	5.2
70.64242	9.9
71.04987	6.8
73.02892	4.2
79.05508	13.5
81.03420	14.8
81.07051	60.4
83.04979	4.8
85.02893	12.7
85.06548	30.3
91.05475	27.9
93.07043	7.1
95.04963	11.7
95.08585	4.6
97.02888	33.8
97.06536	2.7
99.04411	3.8
99.08086	5.9
100.11277	15.6
100.11810	2.7
105.07026	12.0
107.08598	6.5
109.02876	42.3
109.06516	46.5
109.10127	3.0
111.04425	6.9
111.08065	3.6
113.06005	5.9
115.03942	2.7
119.08559	4.1
127.03925	43.5
127.07542	29.5
131.08603	5.2
137.05960	40.5
140.10468	3.0
145.04968	24.9
145.10059	4.5
153.01883	5.0
154.12234	3.8
155.07040	100.0
158.10922	4.2
171.11647	3.2
173.08105	60.1
173.13264	94.4
182.15405	10.8
184.34703	2.9
209.16673	3.7
210.14925	9.1
212.43939	3.2
227.09155	6.3
245.10205	13.1
254.74088	3.6
281.10245	28.9
282.29321	3.2
291.30817	3.9
299.11215	50.0
317.12357	8.9
502.33893	10.5
503.24734	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	502.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90097	4.4
53.03937	10.5
55.01862	5.5
55.05511	24.7
57.03428	7.9
57.07082	5.2
58.58019	5.1
61.02917	10.0
65.03922	6.0
67.05500	43.6
69.03419	25.1
69.07058	32.1
71.05003	7.3
71.58205	6.3
73.02893	4.2
79.05483	48.5
81.03413	18.2
81.07051	100.0
83.04968	12.6
83.08617	9.5
85.02902	82.9
85.06541	7.9
86.38282	3.8
89.26152	3.7
91.05446	34.6
92.05820	4.9
93.07040	73.1
95.04948	8.7
95.08602	99.8
97.02884	22.7
97.06514	12.9
97.10176	12.4
99.04457	9.2
99.08050	4.3
105.06371	6.9
105.07026	55.4
107.08591	88.9
109.02879	11.9
109.06516	7.5
109.09455	8.4
109.10153	88.2
111.08096	4.5
111.11703	4.5
117.07020	14.6
119.08574	50.5
121.10139	67.9
123.08074	7.5
123.11700	27.0
125.09621	15.9
127.03893	10.6
129.07025	7.6
131.08562	21.5
133.10136	43.6
135.11673	43.9
137.05974	8.3
137.09560	5.6
137.13274	7.1
139.11197	4.9
143.08557	11.5
145.04950	8.9
145.10118	30.6
147.11688	55.3
149.02296	4.4
149.05962	4.3
149.13268	59.7
157.10147	13.7
159.11694	28.1
161.13260	46.9
163.14815	64.5
165.12758	7.2
171.11674	7.1
173.13258	27.6
175.14842	19.0
177.12721	4.2
177.16414	13.3
179.14397	27.4
185.13351	5.5
187.14807	18.3
189.16400	14.5
191.14291	15.4
193.15894	6.1
198.68159	4.3
199.14833	13.6
201.16441	11.2
203.17987	6.1
205.15828	8.4
206.07486	4.5
207.17448	13.6
213.16400	15.6
217.19777	4.7
227.17935	5.0
229.19516	8.9
231.17436	7.9
231.21051	6.0
241.19540	4.8
243.21066	11.9
257.22598	19.3
259.24359	4.2
269.22638	53.2
275.23743	18.8
287.23642	62.7
293.24689	7.0
295.68390	4.9
305.24759	29.5
323.25861	5.3
486.31543	5.1
502.30276	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	502.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.6
54.38508	3.1
67.05502	4.2
69.03418	7.8
70.60329	3.1
71.19211	7.6
79.05458	5.2
81.03417	9.3
81.07056	13.5
85.02906	10.0
87.96257	3.5
93.07037	6.1
95.04982	5.9
95.08590	6.3
97.02866	8.2
97.60374	4.0
105.07071	5.7
107.08562	5.6
109.02885	5.8
109.10146	8.5
110.54162	4.2
119.08538	6.3
127.03914	11.4
128.09201	3.5
128.10175	3.3
133.10201	4.0
135.04405	3.6
135.11726	6.7
143.03427	9.5
147.08031	5.1
153.01831	100.0
153.03001	7.6
153.12721	4.7
171.02869	8.3
207.52934	3.7
297.05948	4.8
309.08588	3.8
315.07053	17.2
371.27887	3.7
374.44034	4.3
423.13449	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	502.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05477	3.1
63.20067	2.8
67.05493	4.8
69.03413	5.3
69.07078	3.6
71.57515	6.9
73.96488	3.0
79.01844	4.5
79.05481	7.8
81.03406	8.6
81.07073	5.0
85.02885	7.8
91.05473	7.1
93.07035	26.7
95.04942	3.9
95.08585	7.7
97.02887	6.0
105.07012	4.6
106.79645	2.7
107.08592	28.0
109.02868	6.5
127.03934	8.6
130.21176	2.8
135.11705	18.1
148.29768	3.1
153.01823	100.0
168.66046	2.8
171.02884	12.9
241.41684	2.9
246.46291	3.4
276.68787	3.7
297.06058	8.9
315.07114	12.4
395.01685	3.9
415.25507	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	502.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
54.88021	0.4
55.01870	2.4
55.05513	0.5
57.03434	5.4
57.07076	0.4
59.04988	0.6
61.02930	2.7
64.52876	0.4
67.05491	1.1
68.28955	0.4
69.03078	0.7
69.03426	8.2
69.07048	0.4
69.31285	4.6
71.01351	0.8
71.04971	0.9
72.04502	0.5
73.02912	6.6
79.05501	0.4
81.03403	1.6
81.07059	2.4
82.07388	0.4
85.02904	17.0
87.04457	1.3
91.03918	0.7
91.05472	1.7
93.07030	1.2
93.12508	0.4
95.04957	1.1
95.08594	1.3
97.02282	0.7
97.02886	10.3
97.06519	0.5
99.04450	0.8
103.03909	0.8
105.07033	2.2
106.07311	0.4
107.08601	1.0
109.02901	2.0
109.06525	1.0
109.10123	0.7
114.85137	0.4
115.03931	5.5
116.13561	0.4
117.06978	0.5
119.08571	1.6
121.10160	0.6
123.08082	0.5
127.03094	0.5
127.03925	5.8
127.11048	0.4
129.06990	0.8
131.08565	32.9
132.06569	1.2
132.08846	0.8
133.04958	6.0
133.10095	0.7
135.08067	0.7
137.05942	1.0
143.08591	0.8
145.04951	6.9
145.10112	3.6
150.07623	1.8
156.09351	0.5
158.10866	1.1
163.06012	3.0
171.11748	2.1
173.13257	100.0
174.13589	2.0
178.98969	0.4
185.13266	0.5
188.03763	2.1
223.06065	0.8
241.07188	1.0
259.08173	0.9
274.12723	0.4
305.17642	0.4
314.06827	0.6
317.17636	0.5
353.19907	0.4
452.11401	0.4
452.70273	0.4
502.30664	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.2
69.03430	21.5
70.97498	3.6
70.97817	3.1
71.04970	3.4
79.15189	2.4
81.03426	23.8
85.02910	18.5
97.02892	31.4
99.04454	9.0
101.77581	2.2
109.02891	14.2
119.04960	3.5
127.03900	19.7
131.04877	3.5
133.02861	3.2
135.04391	5.1
137.02309	3.5
139.04005	2.2
145.04903	4.9
147.04408	13.5
153.01842	3.0
159.04472	2.7
163.03920	9.1
165.01849	15.6
165.05452	2.7
167.03433	8.8
175.03935	7.9
177.01855	4.2
177.05571	2.7
179.03430	5.7
181.01274	6.8
181.28105	2.1
183.02902	13.5
191.03369	31.8
193.01334	17.8
193.04893	5.4
195.02928	7.6
201.01671	2.5
203.03377	73.0
205.01221	4.0
205.04933	5.7
207.02943	7.0
211.02393	7.7
219.02898	79.8
221.00876	24.3
221.04434	9.2
223.02347	12.9
229.01329	3.4
231.02943	19.6
231.25949	2.2
233.00839	11.0
239.01865	9.0
245.00999	2.2
247.02386	100.0
249.03973	13.2
258.69043	2.3
259.02386	7.1
265.03403	14.3
275.01859	60.3
277.03461	12.0
285.00253	2.4
293.02921	80.1
294.03549	3.0
303.01349	9.7
311.03995	4.2
318.62549	2.6
321.02411	34.9
322.02603	3.1
323.27945	2.6
339.03482	89.9
357.04468	7.3
465.06012	4.5
483.07285	9.5
494.13101	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	501.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.9
55.01884	10.4
57.03418	5.6
57.06521	4.1
69.03416	41.1
70.82481	7.0
70.82799	9.4
71.04993	4.6
77.69570	4.1
81.02982	6.8
81.03413	79.0
85.02884	29.6
89.54852	4.4
93.37468	4.3
97.02856	20.8
99.04423	5.6
109.02888	39.0
119.04934	5.8
127.03926	24.2
132.87431	4.3
147.04396	25.2
157.02826	5.4
159.04356	6.3
163.03880	16.5
165.01846	14.6
165.05478	6.4
168.43578	4.2
175.03885	35.9
177.01749	5.4
187.03999	7.0
191.03391	47.6
193.01318	17.5
193.04962	13.3
203.03372	75.5
205.01315	6.0
207.02721	5.5
215.03352	7.3
219.02864	55.0
219.43410	5.0
221.00826	100.0
221.04205	24.4
229.01379	5.7
231.02852	55.3
233.00789	11.4
239.01804	20.9
247.02364	48.8
248.90771	4.4
249.03877	21.9
257.00659	8.0
259.02350	44.0
265.03448	6.5
271.48380	4.8
275.01874	61.4
277.03378	99.3
293.02838	26.0
303.01364	32.5
321.02396	66.3
339.03445	84.4
422.18103	4.8
465.06406	13.4
483.07703	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.01862	5.4
55.05505	4.4
61.02900	3.1
65.03945	2.1
67.05496	9.2
69.03442	9.6
69.07056	2.2
69.35844	7.5
69.36267	11.9
71.04998	2.0
72.08133	2.2
76.02216	4.6
77.47495	1.7
79.01818	2.4
79.05477	5.8
81.03403	12.7
81.07053	8.9
83.04963	12.9
84.04529	3.2
85.02888	7.2
86.09682	2.0
91.05469	13.1
93.07018	9.3
95.04967	4.6
95.08598	2.1
97.02872	10.4
97.06523	2.3
105.07011	7.6
106.99663	1.8
107.08580	5.5
109.02880	11.1
109.06501	3.9
109.10175	3.7
111.04478	4.3
111.08059	3.4
112.03873	2.0
117.07021	2.5
119.08578	5.2
121.06467	3.1
125.02361	3.8
127.03889	10.8
128.05319	7.1
128.08157	2.9
128.11963	2.1
133.10103	3.2
137.05980	3.7
139.03914	8.8
143.03386	7.2
145.04936	2.6
147.08000	11.7
151.05725	2.9
153.01826	100.0
157.04973	3.5
158.61967	2.6
165.09125	5.4
167.06992	2.5
171.02884	12.4
179.04767	3.0
206.11783	3.8
230.07225	4.2
275.20584	2.0
297.05902	10.9
315.07065	14.7
500.21658	2.8
514.12939	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	12.6
57.07061	6.6
67.05489	14.9
68.33496	4.4
69.03426	9.6
69.07062	24.3
79.05482	19.7
81.07056	88.6
83.08620	6.4
85.02894	16.5
91.05462	14.3
93.07044	100.0
95.04949	11.4
95.08610	41.5
97.02924	8.0
97.06506	5.5
104.89738	5.8
105.07034	35.8
107.08598	37.3
109.10136	21.3
117.07035	5.1
119.08604	27.8
121.10136	57.7
123.11716	41.0
125.06011	7.1
127.03931	5.4
127.59613	4.2
131.08534	6.8
133.10118	23.6
135.11691	32.8
137.09647	8.3
137.13245	27.5
145.10100	23.5
147.11684	34.9
149.09622	31.5
149.13144	6.8
151.11205	22.6
157.10089	11.4
159.11719	12.7
161.09651	6.5
161.13280	13.7
163.11169	10.3
163.14841	13.1
165.09131	5.7
167.10683	39.7
171.11728	7.4
173.13232	8.3
175.11247	4.5
185.13225	8.4
187.14821	4.7
193.12169	4.7
200.21140	5.1
211.14844	6.3
225.16383	5.9
227.17969	10.5
237.66660	4.9
243.17409	7.9
248.03488	4.5
261.18472	32.5
267.21039	7.9
285.22107	46.6
303.23184	91.1
321.24210	51.0
364.78586	4.5
370.92743	4.7
386.17349	7.0
500.30078	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	500.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.5
55.01881	4.6
55.05502	13.8
66.09166	3.5
67.05501	25.1
69.03426	10.4
69.07057	6.8
71.57867	5.7
71.81420	3.4
79.01854	5.0
79.05483	26.9
81.03420	7.5
81.07047	10.3
85.02917	7.9
85.06522	11.6
87.53925	3.7
88.34657	3.9
91.04902	6.7
91.05470	87.7
93.07053	15.1
95.04935	7.1
95.08586	5.4
97.02922	6.2
97.06541	4.8
97.10148	3.8
105.07030	80.9
107.04918	4.0
107.08579	7.4
109.02875	5.8
117.06995	5.1
117.47770	3.4
121.41090	3.5
127.03880	5.2
129.06993	5.0
131.08539	4.6
133.10130	38.3
139.03888	17.4
143.03406	7.9
145.06432	6.3
153.01820	100.0
153.02995	7.9
154.02167	4.6
154.71533	3.6
165.19203	3.6
171.02899	5.7
173.05856	3.9
179.10916	4.8
189.05449	5.5
191.03438	5.6
199.07616	6.5
201.05522	4.7
203.06998	5.4
205.05031	4.0
214.44676	3.6
217.08665	6.3
219.06593	28.1
239.10802	5.7
267.10245	6.3
285.11182	8.5
303.12286	16.0
450.58060	3.7
501.13690	5.3
508.62112	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	499.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	8.0
55.01867	5.8
55.05511	36.5
57.03442	24.4
57.07075	11.9
61.02928	68.5
65.03929	5.2
67.05505	94.2
69.03429	40.9
69.07068	35.5
71.01333	5.4
71.04991	6.0
71.08650	4.2
73.02921	25.3
79.05497	36.4
81.03416	23.4
81.07059	100.0
83.05000	8.0
83.08628	23.4
85.02908	65.3
85.06559	4.1
87.04478	5.6
91.03956	42.2
91.05479	24.2
93.07049	36.7
95.04971	9.3
95.08609	75.3
97.02896	51.8
97.06537	7.3
97.10162	13.5
98.21530	6.3
99.04462	11.1
99.08145	3.2
99.48272	2.5
101.02382	13.3
103.03954	9.2
105.07014	20.3
107.08587	21.1
109.02871	16.1
109.10160	32.2
111.04437	3.8
111.08107	3.9
113.70486	2.7
115.03951	4.0
117.05544	3.2
117.07024	6.5
119.08572	21.2
121.10146	22.6
123.11716	14.8
127.03908	26.3
129.05472	5.6
131.08620	5.7
133.10170	18.0
135.11731	10.1
137.09660	3.6
137.13278	5.4
143.08534	3.7
145.04961	9.9
145.10100	5.8
147.11717	8.0
149.13263	8.3
151.14803	3.0
159.11710	4.2
161.13274	11.4
163.14835	5.6
173.13280	2.9
175.14879	9.9
177.16389	2.6
181.12384	2.5
183.06590	6.1
189.16412	5.8
201.07585	5.4
202.99742	2.9
229.67526	3.4
245.22682	11.3
263.23660	25.6
280.43027	3.2
305.24670	2.8
317.24878	3.4
337.27374	81.4
371.25659	5.3
481.31772	3.8
491.29764	3.1
499.32370	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	500.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
58.41150	0.5
61.76535	0.4
64.51263	0.5
69.03414	2.2
70.88255	1.6
79.05469	0.6
80.16548	0.5
81.03427	3.4
81.03835	0.8
81.07079	0.5
81.35095	0.4
82.03761	0.6
85.02901	3.0
86.05574	0.4
91.05513	0.6
94.04176	1.0
95.04975	0.8
97.02910	1.0
107.04938	0.6
109.02863	1.4
110.03251	0.6
111.04449	0.6
122.03654	3.1
127.03896	1.5
133.02792	0.5
137.05974	100.0
138.06354	0.7
141.09143	1.3
145.04910	0.5
147.04488	0.6
149.06003	0.5
153.01782	1.4
153.06967	0.9
155.94165	0.5
163.03967	0.7
163.07541	0.6
179.07040	1.1
179.82535	0.6
181.06502	2.3
192.03793	0.7
207.02837	0.5
208.03337	0.5
213.09093	1.1
217.01311	0.6
219.02916	0.7
221.00780	0.7
235.02324	0.8
236.02724	0.9
241.08556	0.9
246.01074	0.6
247.02202	0.9
268.43243	0.5
270.85641	0.5
273.11252	4.7
275.01846	0.9
285.11325	1.5
303.01315	0.6
303.14612	0.9
337.01855	0.6
338.02200	2.1
378.96979	0.6
464.05643	0.8
482.06680	2.3
501.08496	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17327	2.9
53.03944	6.3
55.01870	5.3
55.05507	29.4
57.03433	30.4
57.07074	7.1
60.17991	3.0
61.02924	71.9
62.81653	2.9
65.03938	2.7
67.05502	90.4
69.03429	37.7
69.07065	36.4
69.35289	7.5
69.35699	26.4
71.01366	6.5
71.04970	5.4
71.08617	2.8
73.02919	34.9
79.05495	29.5
81.03416	28.5
81.07054	100.0
83.04991	5.8
83.08604	23.2
85.02901	68.6
85.06548	3.3
87.04470	4.2
91.03946	47.7
91.05456	20.8
93.07044	35.4
95.04949	8.2
95.08606	66.9
97.02890	55.4
97.06536	6.1
97.10179	13.6
99.04462	11.2
101.02380	13.0
103.03943	13.3
104.10736	2.8
105.07024	21.6
107.08589	21.7
109.02874	9.6
109.06541	3.2
109.10145	31.6
111.11663	3.3
115.03949	6.5
117.07020	3.2
119.08566	13.3
121.10146	19.1
123.11727	17.6
125.09555	3.0
127.03925	27.7
129.05472	7.2
131.08562	5.4
133.10133	13.1
135.11688	10.2
137.13272	4.1
145.04970	10.5
145.10202	4.0
147.11723	12.3
149.13289	8.1
151.14876	5.1
159.11665	4.6
161.13246	10.1
163.14828	6.8
175.14806	3.9
177.59520	3.0
183.06543	6.7
184.07381	4.1
186.07930	2.9
189.16368	4.5
245.22710	14.0
263.23700	18.2
337.27347	88.5
338.27579	4.3
481.31229	4.7
499.33371	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	499.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49554	1.1
53.03933	1.6
55.01864	1.7
55.05498	1.2
57.03446	1.3
61.02939	1.3
65.03947	3.4
69.03427	5.7
70.06580	1.0
70.07169	3.7
70.07575	2.4
71.04968	1.7
73.02914	1.5
73.81528	1.2
79.05494	6.2
80.04980	1.2
80.05825	2.3
81.03413	8.2
81.07044	1.2
83.04993	1.9
83.08640	1.0
85.02899	10.9
91.05470	3.9
92.05006	4.8
93.07045	4.4
94.07389	1.9
95.04952	1.3
96.08144	3.9
97.02885	3.7
97.06516	1.2
98.21398	1.7
99.04433	1.4
103.31024	1.0
109.02871	5.2
110.06023	1.3
111.08054	1.2
121.06488	1.3
122.06077	2.0
124.07586	4.8
126.09148	13.5
127.03887	3.8
138.09167	2.5
139.07521	6.0
140.07889	3.1
145.04993	1.9
146.26463	1.2
148.03906	2.4
150.05463	1.9
152.03444	2.0
152.07066	31.5
152.08299	2.0
153.01860	7.2
163.03949	1.5
164.03493	1.4
166.05002	56.4
176.03455	11.0
182.04485	10.2
191.03442	1.3
194.04488	7.0
199.06381	2.2
199.08600	2.2
207.02928	2.3
212.09454	3.3
217.01459	1.5
225.10306	1.9
227.11742	4.2
228.10361	2.6
228.28639	1.1
233.09245	3.1
235.02350	3.0
239.08002	1.4
240.09027	4.6
241.09708	1.3
253.09674	4.0
255.11296	3.8
257.09149	2.7
257.12781	1.6
259.07126	3.2
261.12418	2.3
270.09833	1.3
271.10764	10.9
273.09039	1.5
273.12317	3.8
275.02032	1.1
277.03589	1.7
283.10770	45.2
288.11145	1.9
289.11896	7.3
301.11829	38.0
301.15164	2.4
319.12863	100.0
320.13257	3.1
357.84384	1.3
481.05887	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.2
55.01871	2.4
59.06475	1.3
65.03925	4.3
69.03410	5.9
70.17773	2.8
70.18190	4.8
71.04988	1.3
73.02903	1.3
79.05470	6.1
80.05830	1.4
81.03416	8.1
81.07063	1.6
85.02899	9.3
91.05466	1.6
92.05002	4.3
93.07034	5.1
94.07359	1.8
96.08109	4.1
97.02850	3.2
98.21405	1.9
99.04449	2.5
104.24628	1.2
104.81621	1.3
107.01344	1.3
109.02843	3.8
122.06045	2.6
124.07582	6.0
126.09135	11.7
127.03904	4.8
138.05470	1.8
138.09152	1.8
139.03831	1.4
139.07532	6.3
140.07896	3.8
143.03371	1.9
144.48535	1.3
145.04987	2.2
148.03986	1.5
152.07065	31.1
153.01828	19.3
163.03891	3.3
164.03403	1.6
166.05002	59.5
171.02940	2.2
176.03389	8.7
182.04475	9.9
194.04420	7.7
199.06355	3.3
199.08594	2.1
199.12413	1.7
200.10715	2.8
204.90712	1.5
207.02855	1.8
211.08743	1.5
212.09413	3.9
219.02875	1.5
225.10182	3.6
227.11734	4.6
228.10237	2.5
233.09244	2.7
235.02319	1.5
240.08920	3.7
241.09731	1.6
253.09709	4.4
255.11266	2.4
257.09229	2.6
259.07019	2.8
261.12317	1.9
270.09900	1.6
271.10760	7.8
272.09088	2.2
273.08514	2.0
273.12286	2.8
283.10757	46.0
284.11343	1.6
288.10822	2.0
289.11761	10.1
297.06070	1.4
301.11813	41.1
302.12451	1.6
319.12866	100.0
320.13306	3.6
366.14722	1.8
388.12039	1.4
459.64206	1.5
499.14255	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48251	1.8
55.05492	1.6
58.64849	1.6
65.03936	5.6
67.05497	1.9
69.03415	3.2
69.07069	1.9
69.65205	3.4
69.65617	9.8
74.62968	1.7
78.29034	1.6
78.61177	1.7
79.05502	3.2
81.03412	3.6
81.07043	2.6
83.04970	2.2
85.02906	6.7
92.05000	5.2
93.07040	2.9
96.08091	4.3
97.02882	3.4
98.20817	2.0
102.63445	1.8
123.56857	2.1
124.07607	5.1
126.09171	10.4
131.08539	2.2
137.05940	2.0
138.09093	3.8
147.11635	2.0
148.03915	2.5
150.05453	2.0
152.07057	30.7
153.01852	2.9
153.55934	1.9
166.04994	50.2
176.03406	10.3
182.04544	10.7
188.03624	2.5
194.04503	7.3
199.08719	2.2
211.47455	1.8
212.09419	3.5
225.10226	2.2
227.11804	4.6
228.10248	2.6
233.09175	3.9
240.08865	2.0
241.09695	2.8
245.29402	1.8
253.09772	3.4
255.11327	3.6
257.09091	2.3
259.07187	2.9
261.12372	2.1
271.10818	11.9
272.09222	2.1
273.12497	3.3
283.10773	45.1
284.11258	2.7
289.11682	8.6
301.11823	34.9
319.12878	100.0
448.77036	1.8
499.18042	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	499.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	1.9
62.89418	2.2
71.01204	3.5
71.01526	2.4
82.99870	2.1
94.99832	2.6
98.97576	2.7
101.00881	7.8
103.02509	2.5
109.02845	2.2
116.98644	2.0
119.01916	38.4
119.02719	3.3
121.03477	3.4
127.02437	5.2
131.01920	15.8
133.03456	2.4
137.02965	10.1
143.01891	18.6
145.03464	51.0
147.01408	4.9
149.02985	6.5
155.01904	21.4
157.03462	18.3
161.02960	28.2
163.04549	13.5
167.01915	5.4
169.03526	5.8
171.01413	7.5
171.04980	4.5
173.02969	53.8
175.04591	7.6
185.02960	45.4
187.04539	6.5
189.00853	2.3
189.02460	8.6
189.06123	2.9
191.03944	3.9
197.02966	16.1
199.04532	3.1
201.02490	3.0
203.04010	18.1
209.02943	2.7
215.04019	10.1
217.01944	44.2
217.05522	3.8
221.05055	6.2
227.04066	10.1
229.01965	10.0
229.05420	2.4
231.03337	2.3
235.03029	30.3
245.05075	100.0
247.03008	17.2
247.06755	3.0
253.04019	6.6
257.05042	14.1
258.04654	2.6
259.02988	3.3
263.06012	13.5
265.04141	6.0
275.06125	14.6
277.04086	21.1
286.07901	2.8
293.07095	4.9
301.03989	12.1
305.07208	12.9
319.05133	27.7
320.05173	2.3
335.08279	3.6
337.06088	23.1
365.09232	7.3
386.34955	2.3
441.71014	2.4
499.11209	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.7
58.99876	1.3
68.63210	0.7
71.57337	1.1
77.00871	0.9
81.03414	1.0
82.99863	1.6
84.60209	0.8
85.02913	1.2
89.00896	0.9
89.45112	0.7
94.99841	1.1
97.02848	1.0
98.97549	1.1
101.00875	10.1
103.02455	3.9
105.00371	1.2
109.02877	1.1
113.00895	2.9
116.78539	0.9
119.01922	34.0
120.02023	1.2
121.03471	3.3
127.02371	6.8
129.04010	1.7
131.00911	1.2
131.01901	19.0
133.03448	2.2
135.77632	0.7
137.02965	5.3
139.02409	1.4
142.03497	0.9
143.01901	16.7
145.03461	51.5
146.03650	1.4
147.01352	3.9
147.04970	1.5
149.02968	4.8
155.01891	21.6
155.03125	1.6
157.03461	15.9
159.05026	1.2
161.02962	27.4
163.04520	9.5
167.01924	6.5
168.05080	1.0
169.03442	3.2
170.99960	1.2
171.01369	7.9
171.05019	4.0
173.02962	51.3
174.03178	0.9
175.00787	0.9
175.04565	4.7
179.01903	2.7
179.58562	0.9
181.03441	1.1
183.01350	1.5
185.02954	44.6
186.03113	0.9
187.04527	5.2
189.00887	1.4
189.02432	9.1
191.04022	2.9
193.01909	1.4
196.04477	1.7
197.01222	1.5
197.02956	16.6
199.00932	3.3
199.04535	3.4
201.02391	1.9
203.04008	15.9
208.04489	1.2
209.02927	3.6
213.02728	0.8
215.04012	11.5
217.01933	50.7
217.05353	1.4
218.02133	0.9
219.01804	0.9
221.05106	6.2
227.04022	9.7
229.01959	11.9
235.02983	31.1
237.02682	1.0
239.04018	1.0
240.03458	0.9
241.01892	1.0
245.05072	100.0
246.05237	2.2
247.03009	13.5
247.06656	2.9
253.01718	1.0
253.04019	3.5
257.05048	14.8
258.04709	2.4
259.02988	1.0
261.02655	1.0
263.06091	14.4
265.04074	4.4
271.03018	1.0
275.06152	15.5
277.04044	21.9
286.07855	1.3
293.07233	4.6
295.05020	1.2
297.04810	0.9
301.04062	12.9
305.07166	10.4
307.08679	3.5
319.05112	25.7
335.08267	4.3
337.06149	28.0
365.09390	8.0
379.06870	1.4
397.56284	0.8
423.07706	0.8
499.11267	19.4
499.21057	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.5
55.01867	14.7
55.05489	6.1
56.12682	3.2
56.96561	3.1
61.02927	5.0
67.05495	3.4
69.03428	21.4
69.07085	3.0
70.06559	3.3
71.04995	6.1
71.14720	3.2
71.56587	4.0
71.57008	4.1
79.05490	60.9
81.03418	28.8
83.04971	6.2
83.08611	9.9
85.02906	60.4
85.15822	3.1
91.05472	26.9
93.07040	63.1
95.04946	15.1
97.02901	18.5
97.06525	6.0
99.04442	11.1
106.43736	3.0
107.04904	6.1
109.02882	14.6
111.04424	3.5
111.08059	21.7
121.06495	20.5
125.05970	5.6
126.09072	3.3
127.03924	28.1
135.08057	4.1
137.05949	5.8
139.06516	6.3
139.07547	100.0
144.89673	3.1
145.04947	14.8
145.06464	5.1
147.07979	5.6
151.07570	6.1
152.07047	5.9
153.01791	22.6
157.08609	3.9
159.08012	4.2
163.04012	4.6
163.07594	7.1
166.05034	12.2
167.07069	5.2
175.07475	5.2
181.05003	3.2
182.04466	3.8
204.10306	5.5
205.08611	5.8
212.47476	3.0
222.00618	3.0
247.09625	4.5
265.10715	19.4
277.03488	3.8
283.11664	26.7
301.12717	19.6
303.01346	6.5
319.12979	14.7
499.10046	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	498.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.01859	1.5
55.05509	6.5
57.07072	2.7
59.05009	1.4
64.69568	1.2
67.03353	1.1
67.05496	13.8
69.03409	3.4
69.07067	7.9
69.41546	6.1
69.41973	4.9
70.58144	1.2
71.04976	1.5
79.05493	9.1
79.35719	1.2
81.03409	1.9
81.07050	35.7
81.29343	1.3
83.04993	2.7
83.08613	2.6
85.02903	3.0
91.05472	11.9
93.07040	42.2
93.07626	2.1
95.04948	4.9
95.08598	15.2
97.06503	4.7
97.10142	1.6
99.07171	1.1
105.07037	23.2
107.08595	21.1
109.06511	19.2
109.10151	30.6
111.08044	1.5
117.07036	3.2
119.08591	12.2
121.06523	5.6
121.10139	44.8
123.08067	5.2
123.11701	31.8
125.09662	1.6
129.07054	1.4
130.07840	1.7
131.08583	8.0
131.31628	1.2
132.09358	1.8
133.10126	34.7
135.08046	2.1
135.11688	8.9
137.05952	5.0
137.09615	22.7
143.08533	4.2
144.09227	1.4
145.10112	15.9
147.11668	6.3
149.09575	10.6
151.11182	52.7
155.10619	1.8
157.10127	6.9
159.11707	22.5
161.09634	5.6
161.13275	2.8
162.02708	1.3
163.11191	3.5
169.10147	1.4
170.10838	1.4
171.11652	6.2
173.13254	4.8
175.11137	2.0
175.14890	1.7
177.12682	2.1
179.10669	73.0
181.12140	2.4
183.11699	2.5
185.13248	6.0
187.11247	2.3
187.14827	2.8
197.11641	2.9
199.14819	3.6
203.14275	1.3
205.15845	2.4
213.16321	1.9
227.14262	3.5
227.17854	5.6
241.15903	2.4
243.17448	4.0
245.15491	1.6
245.18898	1.9
255.21031	4.4
259.13165	1.2
259.16754	1.2
273.22049	2.3
283.20566	18.9
301.21600	100.0
302.21973	2.2
413.56778	1.4
505.55850	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.36
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	1.3
70.00965	5.5
81.07077	1.2
89.06031	1.1
141.39542	1.0
155.45076	1.4
238.38089	1.2
255.69279	1.1
341.00116	1.2
389.47141	1.1
455.76617	1.1
497.36047	100.0
498.36401	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	497.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	9.2
55.01852	9.7
55.05514	25.5
57.03435	34.6
58.40310	3.3
58.95715	2.7
61.02613	4.4
61.02926	79.8
65.03927	4.3
67.05505	93.0
69.03429	53.4
69.07069	19.4
69.85544	8.6
69.85958	11.1
71.01335	8.6
71.04974	11.0
73.02919	30.3
79.05488	71.8
80.55244	3.3
80.55813	3.1
81.03409	31.2
81.07055	100.0
83.04968	5.0
83.08589	9.7
85.02899	72.3
85.06544	4.8
91.03951	42.9
91.05476	39.7
93.06477	5.1
93.07043	78.7
95.04945	11.6
95.08605	80.1
97.02892	60.6
97.06522	8.0
97.10123	4.8
99.04466	16.0
101.02376	16.6
101.35203	3.2
102.61453	3.8
103.03935	11.9
105.07036	32.2
107.08573	34.5
109.02853	12.0
109.06472	6.4
109.10143	33.0
111.08066	4.5
115.03917	6.6
115.34448	3.1
116.71207	3.1
117.07001	13.4
119.08584	34.9
121.10142	40.4
123.11693	12.7
125.09582	4.8
125.46547	3.2
127.03912	25.7
128.06107	3.6
129.05464	7.0
129.06985	8.3
131.08598	26.1
133.10141	24.4
135.08028	3.7
135.11667	25.2
137.13213	5.6
143.08559	5.3
145.04964	8.6
145.10110	20.6
147.11723	18.5
149.13257	12.8
157.10155	4.3
159.07970	3.7
159.11681	15.0
161.09677	4.9
161.13264	12.4
163.11191	4.4
163.14816	5.0
171.06560	4.8
171.11642	8.9
173.13264	13.6
175.14819	5.6
183.06541	4.3
187.14717	4.5
261.22076	20.5
273.22049	4.2
288.91943	4.1
319.26389	5.5
327.23294	3.8
335.21976	6.7
335.25775	79.9
369.24167	5.7
377.54419	3.9
497.31058	14.8
518.02771	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	497.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	11.2
55.01873	8.3
55.05510	27.6
57.03434	31.3
57.07073	4.7
58.09561	3.1
61.02924	54.9
65.03937	10.0
67.05503	98.3
69.03427	52.9
69.07069	29.6
70.43282	12.0
71.01357	7.1
71.04997	11.2
73.02917	31.8
73.17251	3.5
79.05490	74.9
81.03413	29.8
81.07054	100.0
83.04987	12.9
83.08621	12.6
85.02895	55.6
85.06525	5.7
87.04481	5.5
91.03966	33.6
91.05477	52.5
93.07037	69.4
95.04983	15.7
95.08599	81.5
95.09168	5.7
97.02890	47.1
97.06547	11.9
97.10168	7.9
99.04463	15.8
101.02394	9.4
103.03974	6.2
105.07020	45.4
107.04971	6.8
107.08591	53.5
109.02857	7.6
109.06540	8.8
109.10145	41.3
111.08044	6.5
115.03956	3.3
117.07013	16.7
119.08568	39.1
121.06503	5.9
121.10143	30.9
123.08090	7.5
123.11702	14.1
125.09610	4.2
127.03897	21.2
128.06206	4.4
129.05441	4.9
129.07036	10.8
131.08546	33.0
133.06487	3.5
133.10121	26.2
135.08058	6.4
135.11679	22.6
137.09663	4.6
137.13174	4.1
141.06992	4.2
143.08575	12.5
145.04974	10.4
145.10091	21.3
147.08055	6.2
147.11664	21.9
149.09621	4.2
149.13260	15.7
151.11182	3.4
157.10162	8.1
159.11702	21.1
161.13275	12.4
163.14812	5.5
171.08147	3.3
171.11752	7.2
173.13240	16.6
175.11139	6.0
175.14769	3.1
177.12723	5.6
177.16405	4.1
183.11639	7.6
185.13269	6.8
187.14812	7.2
201.16406	3.2
215.14337	3.3
243.21042	7.6
259.20526	6.8
261.22168	15.6
301.21606	9.9
303.23322	4.2
317.24594	4.1
327.23328	6.2
335.25830	52.2
341.24847	5.3
345.24002	4.3
369.24249	4.5
374.09885	3.6
419.27914	3.6
443.27908	5.3
461.29080	8.7
479.29834	4.2
497.30930	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	497.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91031	5.0
53.03936	8.9
55.01857	9.3
55.05511	25.8
57.03436	34.7
58.13047	5.5
59.46044	5.2
61.02924	77.0
63.01045	5.5
67.05503	97.5
69.03422	56.7
69.07059	29.9
70.05516	27.4
71.04961	6.0
71.37514	5.3
72.63585	5.1
73.02927	38.3
79.05488	57.8
81.03400	29.4
81.07050	100.0
83.08641	6.1
85.02904	76.5
91.03957	43.0
91.05483	54.0
93.07043	70.8
95.04949	13.3
95.08603	86.9
97.02884	61.5
97.06549	6.3
98.21404	6.9
99.04450	12.5
101.02366	14.7
103.03948	7.8
105.07050	39.8
107.08600	37.9
109.02848	12.4
109.10146	32.0
111.04417	6.8
117.07008	13.9
119.08566	29.2
121.10162	34.9
123.11686	14.1
127.03900	31.9
129.05511	6.0
129.06984	6.9
131.08559	15.2
133.10117	17.3
135.11726	27.4
145.04907	10.7
145.10086	16.3
147.11679	19.8
149.13240	13.2
149.18744	5.0
159.11769	16.0
161.13222	10.2
161.82755	4.9
163.14841	10.4
171.11771	7.0
173.13203	12.1
187.14850	6.5
222.88281	5.3
261.22266	27.3
327.22964	6.9
335.25754	76.6
470.20834	5.4
497.30902	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	497.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.4
53.37889	3.4
53.44259	3.0
55.01875	5.5
55.05505	11.0
57.03442	4.2
64.07968	3.5
67.05496	20.1
69.03435	8.0
69.07059	4.1
71.58223	4.5
73.71373	3.3
74.97062	3.6
79.05494	19.8
81.03419	17.7
81.07043	15.6
83.04982	4.4
85.02897	12.1
85.06570	6.6
91.05458	26.2
93.07039	100.0
95.04955	15.4
95.08606	19.2
97.02892	7.3
97.06547	4.8
105.07026	12.5
107.08603	23.5
109.02882	16.3
109.06525	10.4
109.10165	7.7
111.08079	20.3
117.06994	6.0
119.08569	11.5
121.06493	14.2
121.10098	7.9
123.08054	4.4
127.03900	8.5
129.07056	4.3
131.04861	4.0
131.08557	3.6
133.06482	5.7
133.10109	25.6
135.08070	6.7
135.11679	21.4
136.06213	5.4
137.05978	8.9
137.09673	5.9
139.07532	36.6
147.11630	4.4
149.05994	5.6
151.07460	3.7
151.11197	4.2
153.01848	8.6
157.08623	14.2
161.09601	15.4
163.07591	3.9
163.11029	3.5
167.07051	5.3
169.10123	25.7
179.10649	35.4
197.11719	84.7
198.86852	3.4
212.62730	3.4
283.11795	5.4
301.13046	4.9
317.21042	4.4
497.28003	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	497.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12144	1.5
53.03940	8.6
55.01876	13.6
56.96578	1.7
57.03429	2.3
61.02915	1.6
69.03078	2.9
69.03430	39.0
71.01366	1.7
71.05000	3.8
71.57441	2.7
73.02917	2.7
75.07724	1.4
79.01863	3.0
79.05483	4.1
79.57287	1.5
81.03416	86.0
85.02898	18.5
87.04484	3.9
91.05468	2.6
95.04983	1.6
97.02889	10.7
99.04449	8.5
100.36650	1.5
100.73871	1.6
109.02136	2.3
109.02882	39.7
127.03918	21.5
133.02846	2.5
135.04417	2.8
137.02373	2.6
139.03882	2.0
143.03503	1.8
145.08609	2.4
147.04469	4.2
149.02373	1.9
153.01822	12.4
153.05473	2.5
163.03893	9.7
165.01849	8.5
165.07048	1.8
173.02380	3.5
175.03926	3.7
177.01865	4.6
179.03397	7.6
181.01418	2.8
185.08096	2.0
189.34006	1.6
190.95647	1.6
191.03397	28.7
191.05051	1.9
193.01318	15.6
197.04800	2.0
199.06065	3.1
201.01892	4.8
203.03351	12.0
205.01407	5.8
207.02937	7.6
211.02443	1.8
215.03314	2.2
218.02190	6.3
219.02873	38.5
221.00807	79.5
223.02486	5.2
229.01407	3.0
230.99792	1.5
231.00826	1.7
231.02859	13.2
233.00801	15.6
233.04459	3.2
235.02365	31.0
238.01180	5.3
239.01866	25.6
239.60243	1.4
247.02370	33.4
247.04759	2.3
253.03389	18.1
257.00803	7.2
259.02377	4.6
261.03922	2.5
264.38373	1.4
264.99985	1.8
275.01843	49.0
276.02475	2.1
277.03510	6.9
279.04895	2.0
285.00433	2.5
289.03314	11.9
293.03024	4.3
296.54196	2.1
303.01434	20.9
304.01813	3.1
307.01541	1.9
307.04590	6.6
316.99353	2.2
317.02759	3.5
321.02426	7.5
335.04016	10.8
353.05008	24.0
394.99188	2.0
419.06107	6.4
437.07205	3.7
447.05963	3.4
465.06787	7.9
479.08255	5.7
497.09351	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.4
53.37889	3.4
53.44259	3.0
55.01875	5.5
55.05505	11.0
57.03442	4.2
64.07968	3.5
67.05496	20.1
69.03435	8.0
69.07059	4.1
71.58223	4.5
73.71373	3.3
74.97062	3.6
79.05494	19.8
81.03419	17.7
81.07043	15.6
83.04982	4.4
85.02897	12.1
85.06570	6.6
91.05458	26.2
93.07039	100.0
95.04955	15.4
95.08606	19.2
97.02892	7.3
97.06547	4.8
105.07026	12.5
107.08603	23.5
109.02882	16.3
109.06525	10.4
109.10165	7.7
111.08079	20.3
117.06994	6.0
119.08569	11.5
121.06493	14.2
121.10098	7.9
123.08054	4.4
127.03900	8.5
129.07056	4.3
131.04861	4.0
131.08557	3.6
133.06482	5.7
133.10109	25.6
135.08070	6.7
135.11679	21.4
136.06213	5.4
137.05978	8.9
137.09673	5.9
139.07532	36.6
147.11630	4.4
149.05994	5.6
151.07460	3.7
151.11197	4.2
153.01848	8.6
157.08623	14.2
161.09601	15.4
163.07591	3.9
163.11029	3.5
167.07051	5.3
169.10123	25.7
179.10649	35.4
197.11719	84.7
198.86852	3.4
212.62730	3.4
283.11795	5.4
301.13046	4.9
317.21042	4.4
497.28003	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	495.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.01862	7.0
55.05505	20.2
56.96560	2.9
57.03421	6.6
57.07064	2.0
59.04984	1.6
61.02908	2.9
65.03918	1.9
67.05500	55.8
68.93402	1.4
69.03401	3.0
69.07068	19.1
69.31963	10.6
69.32388	7.4
71.04998	7.6
73.02934	2.0
76.22356	1.6
79.05489	38.2
81.03430	14.6
81.07050	100.0
83.04975	11.5
83.08612	14.9
85.02885	7.1
85.06523	6.1
91.05479	38.0
93.07038	34.7
95.04964	14.5
95.08605	26.5
97.02878	4.8
97.06518	10.8
97.10143	2.7
98.07326	1.5
98.21471	2.5
99.04417	1.9
99.08062	4.4
105.07027	37.4
107.04965	3.6
107.08578	24.8
109.06496	5.1
109.10155	6.3
111.04439	1.6
111.08065	5.0
113.05964	1.8
115.55029	1.4
117.07017	5.3
119.08563	30.0
121.06532	3.6
121.10137	28.3
123.08045	4.4
123.11711	24.0
123.13546	1.6
125.09615	3.9
127.07519	3.6
129.06996	5.2
131.08557	6.1
133.10129	9.2
135.11659	6.6
137.09601	3.0
137.13199	1.5
141.09064	1.9
145.10114	5.2
147.08052	1.7
147.11676	56.4
149.13283	7.8
157.10094	4.4
159.11641	3.8
163.11147	3.4
165.12741	30.1
171.06517	3.3
173.13243	1.9
175.11205	2.0
177.12761	2.7
183.13757	4.2
191.10646	1.9
193.12210	10.3
195.13779	5.1
209.11717	3.5
211.11420	1.8
211.13219	10.7
227.12788	2.2
229.14326	4.6
267.09085	4.3
267.15903	24.7
269.10312	2.3
269.17404	2.8
285.09970	2.4
285.17139	3.3
449.28705	1.9
477.28238	7.1
495.29465	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3392
Annotation	2-Palmitoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
56.05040	1.3
57.07073	3.0
58.06574	1.0
60.08158	16.6
62.02942	0.8
69.31499	8.6
71.07372	6.8
71.08643	1.5
74.15909	0.8
74.38351	1.0
76.26593	1.0
85.10131	1.0
86.09698	45.7
95.08617	1.2
98.20730	1.0
98.98460	4.0
104.10733	89.3
124.99994	27.2
128.45036	0.7
135.44051	0.8
176.73459	0.8
184.07327	100.0
185.07631	1.0
258.10916	1.2
313.27328	1.8
478.32831	7.7
496.33945	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.4
54.52363	1.9
55.01865	7.6
55.05515	27.9
57.03437	16.9
57.07064	2.0
59.05005	2.2
67.05505	48.1
69.03418	5.7
69.07050	9.8
70.40012	4.8
70.40411	4.8
71.04983	9.8
76.33215	1.7
79.05492	44.6
81.03420	99.5
81.07058	46.4
82.03720	3.3
83.04988	23.3
83.08624	31.7
85.02905	49.8
88.93840	1.9
91.05479	53.7
93.07039	26.0
95.04968	37.1
95.08598	18.6
97.02895	4.2
97.06520	8.2
97.10165	5.6
99.04391	2.5
105.07028	37.6
107.04931	12.1
107.08565	16.6
109.06474	7.3
109.10144	6.0
111.04402	5.5
111.08073	19.4
113.05971	4.7
115.05408	2.8
117.07002	3.7
119.04964	2.4
119.08589	26.1
121.10138	17.9
123.08056	3.7
123.11712	5.7
125.09595	4.8
129.07004	21.0
131.08562	16.2
133.06494	3.6
133.10133	16.4
135.11684	4.0
135.78806	2.1
137.09618	2.9
142.07703	2.7
144.99200	2.2
145.10063	3.6
147.08015	6.2
147.11693	20.4
149.09602	11.8
157.10150	20.7
163.11162	4.0
165.12740	3.9
175.11165	27.9
181.35632	2.0
189.11229	2.2
193.12247	90.8
209.11824	2.6
211.13281	100.0
221.32689	2.2
227.12775	3.5
240.24051	1.8
246.56773	2.5
248.53952	1.9
267.15878	4.9
285.16821	2.5
367.22787	2.1
385.23383	2.6
414.58154	2.0
458.15002	2.2
459.27594	3.1
477.28339	4.5
495.29538	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.0
51.47260	0.7
53.03949	4.8
55.05511	27.1
57.03186	1.4
57.03439	15.4
57.07061	1.1
59.04984	1.9
65.03927	1.9
67.05503	38.4
69.03432	7.1
69.07064	10.1
69.24114	2.0
69.24512	9.7
71.04996	9.8
73.02879	1.0
79.05490	40.7
81.03416	96.3
81.07056	47.6
82.03745	1.4
83.04486	1.3
83.04977	20.5
83.08617	36.6
85.02902	51.8
85.06531	3.6
87.04430	1.0
90.27206	0.8
91.05478	54.6
92.05831	0.9
93.07043	28.2
93.07639	1.8
95.04970	45.4
95.08596	16.9
97.02888	4.5
97.06526	5.9
97.10176	6.6
98.20657	1.4
99.08091	2.5
100.11242	3.9
101.09609	1.0
103.05458	1.5
105.07027	37.7
107.04947	10.5
107.08592	13.8
109.06514	9.2
109.10157	6.3
111.04459	4.5
111.08076	18.9
113.05347	0.8
113.06021	5.4
115.05470	2.6
117.07001	3.7
119.08582	31.9
121.06514	4.3
121.10143	14.0
123.08073	3.9
123.11731	3.2
125.06010	1.4
125.09591	4.1
128.06197	1.3
129.06998	16.5
131.08563	15.5
133.06477	4.3
133.10129	18.1
135.08060	2.1
135.11688	1.5
137.09599	2.9
137.13231	1.1
141.07013	1.8
142.07808	4.6
143.08556	1.9
145.10162	3.9
147.08040	5.6
147.11681	23.1
149.09604	10.3
151.11177	1.4
153.01817	2.1
155.08531	1.4
157.10110	21.1
163.11212	2.1
165.12749	6.5
168.13893	1.1
170.26851	1.0
175.11192	25.1
189.11189	1.0
193.12241	91.1
194.12569	1.9
210.14967	1.1
211.13284	100.0
212.13629	2.2
219.13910	1.9
221.13362	0.9
227.12756	1.1
227.17267	0.9
233.15123	0.9
249.14732	1.0
267.15836	7.3
285.17010	2.9
286.75418	0.8
345.74963	0.9
359.22067	1.0
367.22644	1.3
374.53098	0.9
385.23816	2.3
403.24713	1.1
451.27231	1.2
459.27295	2.6
477.28476	4.5
495.29568	67.4
496.29694	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	495.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	2.3
53.03939	5.7
55.01873	30.4
55.05506	29.6
56.96536	1.9
57.03435	10.3
57.07070	9.2
61.02929	2.9
62.01644	2.0
65.03931	3.3
67.05502	88.1
67.12559	1.8
69.03431	8.1
69.07075	29.3
70.83188	6.5
71.04989	8.3
73.02917	3.9
79.05489	64.1
80.97518	2.0
81.03415	16.1
81.07053	100.0
81.81001	2.0
82.04200	8.3
83.04981	21.9
83.08615	21.1
84.02132	2.0
85.02910	5.7
85.06534	7.6
91.05483	45.7
93.07036	64.7
95.04958	23.3
95.08596	30.9
97.02887	3.6
97.06530	19.3
97.10166	9.4
98.07304	10.2
99.08093	6.0
105.07029	23.5
107.04953	6.3
107.08585	37.6
109.06506	6.7
109.10148	14.4
110.07347	2.0
111.04419	3.4
111.08106	10.9
113.05943	2.6
117.06998	12.4
119.08577	14.2
121.06551	2.9
121.10130	22.7
123.08051	10.7
123.11684	2.6
125.09628	9.2
127.11166	4.3
129.07010	5.4
131.08557	14.1
133.10123	17.7
135.08063	4.8
135.11667	16.1
137.09637	2.8
139.11139	2.2
145.10080	4.0
147.11702	8.6
148.12468	4.0
149.09648	2.8
149.13257	37.4
153.12766	3.1
157.10175	4.7
158.05740	10.9
159.11696	15.3
163.11182	7.9
171.06516	14.4
175.11227	2.4
177.12750	6.1
181.12216	3.6
185.08118	7.0
189.11261	2.3
190.04668	2.3
191.10709	3.4
193.12239	5.5
195.13770	14.6
199.09634	4.3
199.13385	2.8
201.14885	2.7
209.11676	3.1
210.12547	3.5
211.13251	3.8
217.76308	2.2
227.12775	8.5
229.14407	2.2
239.12666	2.6
242.15221	2.6
247.62074	2.3
255.15962	8.3
267.08920	2.5
267.15869	3.3
269.17490	7.5
283.15329	4.0
295.19174	3.1
309.20657	2.9
323.18549	16.1
323.22046	3.4
337.23633	2.1
351.21671	4.6
371.97845	2.4
423.27499	4.9
477.27994	5.2
478.29108	3.7
495.29529	42.2
496.29507	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.1
55.01866	8.3
55.05509	9.9
57.35802	3.2
65.67983	3.2
67.05497	13.6
69.03423	22.8
69.07064	6.7
69.95384	10.6
69.95795	6.2
71.01350	3.3
71.04987	5.2
79.05492	32.4
81.03424	25.1
81.07056	15.5
83.04993	8.3
85.02895	26.7
91.05481	22.9
93.07042	51.9
95.04961	13.9
95.08614	21.3
95.88338	3.2
97.02876	14.2
97.06520	6.8
99.04456	7.2
103.05479	4.5
105.07040	13.7
107.04959	29.6
107.08596	5.6
109.02883	11.8
109.06531	5.2
111.04421	9.7
111.08069	7.5
115.05445	11.8
117.07018	14.4
118.34567	3.0
119.04962	3.5
119.08585	9.7
121.06491	35.2
123.08060	14.5
127.03912	15.2
128.06226	6.4
129.07016	6.2
131.04922	4.6
131.08542	5.4
133.06537	9.2
133.10143	4.1
133.11337	3.4
135.08051	10.9
137.05972	7.1
137.09637	3.7
138.06747	3.1
139.07553	21.1
140.80797	3.3
142.07869	4.1
145.06519	13.1
147.08049	12.7
148.05229	3.7
149.09564	3.6
151.07526	11.5
152.06183	2.8
153.01802	17.3
153.06985	3.5
155.08560	5.4
157.06479	6.5
159.08063	7.2
159.11707	3.6
161.05978	13.2
161.09560	3.4
163.07541	21.9
165.06996	7.3
165.09097	26.1
166.06311	3.8
166.07689	3.4
167.07039	34.5
167.08548	9.1
171.08066	8.0
173.05963	5.3
173.09685	6.1
174.06725	3.3
175.07520	13.6
177.09140	4.1
179.08623	3.0
181.08597	100.0
181.10060	5.7
183.08044	4.4
185.09544	6.0
187.07498	8.5
189.09125	6.9
190.06149	4.2
191.07004	6.4
193.08591	24.4
195.08102	8.0
195.10159	11.0
197.09552	9.2
199.07608	7.1
199.11137	6.2
201.09142	6.8
203.07079	3.6
205.08571	22.0
205.10287	4.2
207.10103	22.7
209.09639	7.8
209.11580	5.1
211.07556	3.7
213.09090	9.5
213.11205	9.8
214.09993	6.2
215.10751	6.3
217.08633	12.7
219.10136	8.9
223.09404	4.8
223.11252	7.5
225.09157	6.7
225.11072	5.6
227.10689	13.7
229.08627	3.7
229.12184	5.7
231.10121	8.2
233.09697	4.1
233.11816	3.5
233.15839	3.1
239.10687	7.1
241.08548	3.6
241.12222	13.8
244.10957	3.7
245.11855	6.3
249.11307	4.2
255.10147	6.4
255.13750	7.4
257.11719	8.8
259.13348	6.7
261.14764	5.3
269.11804	8.9
271.13312	8.6
273.11261	4.8
273.14810	7.7
283.13303	11.8
287.12747	11.3
287.16171	4.2
289.14343	13.2
301.14380	12.0
305.17477	4.4
315.04803	4.8
315.15808	17.3
319.15317	5.0
331.15378	3.8
333.16974	62.9
333.20828	6.5
351.18036	4.4
357.16782	4.7
375.18036	3.9
446.35721	3.2
459.20407	5.8
477.21042	8.9
495.21878	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44602	3.0
53.03931	7.6
55.01863	11.4
55.05508	15.8
57.03423	5.3
58.99918	2.7
65.03938	4.3
67.05507	26.0
68.20332	3.0
69.03432	18.6
69.07046	10.9
71.04978	11.6
73.78220	3.1
79.05496	36.3
81.03418	36.9
81.07056	25.5
83.04951	11.3
83.08623	9.8
83.62464	3.4
85.02903	35.2
85.06548	4.5
87.04459	4.3
91.05476	28.1
93.07035	51.6
95.04980	20.7
95.08586	26.6
97.02876	13.4
97.06511	8.4
97.10143	3.7
99.04447	7.5
103.05428	8.4
105.07038	27.9
107.04955	33.1
107.08569	12.6
109.02871	14.0
109.06506	8.9
109.10148	11.7
111.04431	9.5
111.08054	7.3
115.05442	7.6
117.06971	17.2
119.08558	14.5
121.06509	27.6
121.10084	10.4
123.04416	7.0
123.08064	20.7
123.11695	7.0
127.03903	19.0
128.06200	5.2
128.11949	3.0
129.06987	11.0
131.08519	9.4
133.06485	9.3
133.10100	7.2
135.04384	3.0
135.08032	18.6
137.05957	8.9
137.09610	7.5
139.07520	18.8
141.06992	8.1
143.08569	3.9
145.06500	19.0
145.10144	6.5
147.04425	4.8
147.06889	3.1
147.08038	12.2
147.11674	6.7
149.09593	6.8
151.07539	9.7
153.01819	11.3
154.07726	3.6
155.08542	8.0
157.06470	6.2
158.07269	5.4
159.08052	11.0
160.29028	3.4
161.05963	10.8
161.09637	6.6
163.03981	4.0
163.07562	16.4
165.05632	3.5
165.06976	7.0
165.09094	58.3
166.06314	3.0
167.07014	41.7
167.08450	6.4
169.06503	6.5
169.10130	6.9
170.07245	6.5
171.08028	6.2
171.11609	4.6
173.05969	5.6
173.09512	4.3
173.13196	3.5
175.07483	17.2
177.05461	9.3
177.09094	5.5
179.07098	4.5
181.06746	4.8
181.08594	100.0
181.10083	5.4
183.08060	5.7
185.09686	6.4
187.07530	9.6
189.05434	3.5
189.09036	4.8
190.06221	4.2
191.07036	4.1
193.08566	22.4
193.10144	5.2
195.08029	8.3
195.10132	10.9
195.11700	4.0
197.09657	5.3
199.07520	6.9
199.11182	5.7
200.08441	4.1
201.09090	8.8
201.12614	3.1
203.06920	3.9
205.08542	20.7
205.12251	4.0
207.10120	24.1
209.09544	9.5
209.11510	5.4
211.07663	4.4
213.09068	11.0
213.11182	9.0
213.12869	4.4
215.10678	9.0
217.08551	13.6
219.10089	6.8
221.07967	3.5
223.11166	10.5
226.09827	3.5
227.10664	16.3
229.08580	5.1
231.10130	11.7
233.11618	4.6
237.12785	4.8
241.08502	5.8
241.12209	15.9
243.10370	4.2
245.11732	5.7
249.11256	4.6
251.10706	4.3
255.10204	8.2
255.13770	8.6
257.11710	5.5
259.13290	5.0
261.14850	4.1
269.11710	6.1
271.13287	6.8
273.11322	4.3
273.14706	6.1
275.12756	4.3
283.13361	18.1
287.12766	8.3
287.16116	4.2
289.14474	16.6
300.13370	3.7
301.14346	10.9
305.17398	4.7
313.14447	4.0
315.15979	16.8
333.16916	55.1
366.12430	3.4
375.18130	4.9
392.71497	3.2
404.08176	3.2
441.19019	4.4
459.19894	4.9
477.21170	5.0
495.21707	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	1.6
53.03946	5.0
55.05500	1.2
68.99782	1.2
69.03428	12.6
71.01383	1.0
71.04597	1.7
71.04989	32.5
71.38628	1.1
79.05453	1.0
81.03413	19.8
85.02898	1.7
85.06525	2.8
87.04456	2.3
88.34277	1.0
89.09135	0.9
93.07090	1.0
95.04945	1.2
96.54382	1.1
97.02892	5.2
98.21589	2.6
99.04451	100.0
109.02894	9.3
111.04430	2.4
113.06006	5.5
115.03906	1.3
121.06565	1.3
123.04412	2.9
127.03920	5.3
133.02852	1.7
141.05457	21.3
145.06458	1.3
147.04361	1.4
153.01868	7.4
155.20357	1.1
159.06494	2.3
161.02312	3.5
163.03888	6.1
165.01852	2.0
173.02393	1.6
175.03809	1.8
177.01938	2.2
179.03391	1.7
189.01793	6.3
190.02582	1.4
191.03360	7.1
201.01808	1.9
203.03389	2.8
207.02914	5.1
215.03464	1.3
217.01305	13.5
218.02092	1.5
219.02849	5.9
221.00868	2.2
229.01521	1.1
230.50099	1.3
231.02884	2.9
235.02367	13.3
245.00810	9.6
247.02386	6.3
247.06290	1.1
249.03937	2.2
259.02356	3.0
261.04016	1.9
263.01929	7.4
273.00293	11.0
273.03098	1.6
274.01056	3.3
275.01981	5.4
277.03452	1.8
287.01727	6.2
289.03363	1.4
291.01398	2.5
300.99796	4.7
303.01343	1.6
319.00909	5.0
333.02274	1.6
337.01889	31.9
351.03354	11.1
365.04913	2.6
393.04315	1.9
403.02686	1.7
417.04456	1.6
435.05576	12.2
463.05222	8.2
495.07635	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	495.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.01864	1.3
55.05509	0.8
56.02648	0.8
56.96563	0.9
57.03442	0.7
58.44492	0.5
63.11355	0.5
67.05499	0.6
68.99776	1.1
69.03432	7.5
70.06593	0.9
71.01355	0.6
71.04994	28.7
71.14664	0.7
71.15006	1.3
71.45520	0.5
72.09251	0.5
74.62673	0.5
79.01849	0.7
79.05496	1.0
81.03418	9.2
81.07038	1.1
83.01322	0.6
84.20689	0.5
85.02924	1.2
85.06542	1.2
91.05465	1.2
97.02905	1.2
99.04456	100.0
102.01607	0.5
105.07009	0.6
109.02909	3.3
111.04440	0.8
113.06033	2.9
127.03934	3.0
133.02853	1.1
135.04384	0.7
137.06030	1.3
141.05493	3.3
143.03409	1.2
147.04411	1.3
153.01811	7.4
161.02289	1.2
163.03897	2.6
173.02400	0.5
175.03891	1.2
179.03429	1.4
187.03918	0.5
189.01830	4.5
190.02721	0.8
191.03380	4.1
199.03923	0.8
201.01935	1.7
203.03397	1.8
207.02913	2.6
215.03423	1.1
217.01355	6.9
218.02174	1.6
219.02914	3.2
221.00928	1.9
221.04483	0.9
227.03392	0.7
229.01437	1.2
231.02849	2.8
235.02385	6.5
243.02887	0.6
245.00842	5.9
246.01653	0.7
247.02406	2.8
249.03978	1.4
257.00888	0.5
259.02441	2.5
261.04007	1.3
263.01907	3.3
264.23419	0.6
273.00311	7.7
274.01025	1.5
275.01886	3.7
277.03543	1.3
283.02438	0.8
287.01920	4.1
289.03482	1.0
291.01434	1.3
300.99844	4.8
302.00739	0.7
303.01395	2.2
305.02847	1.2
314.39908	0.6
315.19461	0.7
319.00906	2.4
333.13916	0.5
336.97925	1.2
337.01877	15.1
347.03860	0.8
351.03445	11.4
365.05222	2.0
375.03384	0.7
393.04721	2.0
403.03101	1.6
417.04593	0.7
421.03961	0.9
435.05573	13.3
435.11493	0.8
453.06903	0.6
463.04990	10.1
465.75497	0.6
477.07098	0.9
495.07971	2.8
495.14120	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	1.3
53.03942	9.6
55.13240	0.7
57.03424	2.9
69.03077	1.3
69.03428	17.8
70.06586	0.8
71.01346	2.1
71.04993	2.7
71.09029	1.7
73.83165	0.7
73.90253	0.7
78.31271	0.9
79.05485	1.2
81.03412	100.0
81.06977	0.9
82.03748	1.1
85.02897	10.2
86.09711	1.0
89.03946	0.8
91.05479	1.0
97.02874	3.9
99.04433	6.6
101.02367	2.1
103.05452	0.9
105.03399	1.0
106.28335	0.7
107.04932	1.5
109.02871	40.7
120.08069	1.0
123.04428	0.9
127.03916	7.7
133.02858	3.1
135.04404	1.6
138.09155	1.1
145.02808	1.2
145.04988	1.3
147.04369	1.1
151.03893	1.4
153.01830	7.7
154.02174	2.0
155.02242	0.9
161.02283	5.6
162.03159	1.2
163.03909	8.1
165.01860	2.3
171.02921	1.1
173.02341	1.0
175.04051	0.9
179.03387	5.5
180.03703	1.0
189.01819	13.2
190.02618	1.7
191.03355	7.4
193.01335	2.3
201.01828	4.3
203.03404	3.3
207.02869	7.1
215.03403	1.0
216.00555	1.4
217.01334	22.4
217.03407	1.7
218.02092	6.2
219.02904	10.3
221.00764	4.5
221.04498	1.7
229.01376	2.1
231.02950	4.3
233.04410	1.4
234.01738	1.1
235.02361	37.3
239.01866	2.0
243.02896	0.8
245.00797	18.9
246.01588	1.4
247.02451	5.7
249.04013	2.9
257.00748	1.6
259.02444	1.4
261.00610	0.9
261.03699	2.0
262.00900	1.5
263.01849	18.4
271.99539	1.5
273.00284	20.3
274.01062	3.7
275.01825	4.1
277.03418	3.5
287.01831	3.6
287.13953	0.9
289.03467	3.1
291.01324	10.2
298.06329	0.8
300.99716	4.5
302.00586	0.9
305.02924	3.9
315.13467	1.0
319.00909	9.7
333.02393	19.0
333.14233	2.1
351.03448	13.6
388.68115	1.0
393.04358	1.1
398.35266	0.8
421.03925	2.4
445.03973	3.3
459.05560	1.2
463.05151	4.9
477.06497	3.9
495.07663	83.9
496.07645	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
69.03415	5.0
71.04983	1.4
71.57370	1.2
79.01846	3.1
81.03416	12.5
81.07046	1.1
82.88867	0.7
82.99753	0.7
84.71787	0.6
85.02899	5.8
91.05474	1.3
94.97513	0.6
97.02892	6.3
99.04459	1.5
107.01321	1.1
109.02869	7.1
112.13829	0.8
117.09192	0.7
125.02317	5.1
127.03913	7.6
137.05977	1.3
143.03397	5.8
145.04959	1.1
149.06007	1.1
151.07539	7.9
153.01817	100.0
154.02208	1.0
167.06989	0.9
171.02887	11.5
179.03413	1.0
191.03387	0.8
196.09673	0.9
219.02890	0.9
223.07651	0.7
235.02335	2.8
255.10204	1.2
263.01569	0.7
271.09604	1.0
273.00406	0.9
278.19278	0.7
297.06067	6.3
315.07123	10.2
319.01047	1.0
333.02457	1.0
351.03409	1.2
378.03159	0.8
495.07788	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	494.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67449	2.4
52.58065	2.4
53.03951	4.1
55.01864	6.2
55.05501	10.6
57.03437	3.9
62.06087	78.1
65.03939	3.6
67.05503	10.2
69.03421	11.6
69.07064	7.2
69.25669	18.9
69.26096	11.0
75.75539	2.7
79.05487	18.1
79.48306	2.8
81.03422	13.3
81.07059	18.9
82.81973	2.3
83.04971	4.7
83.08612	6.0
85.02890	22.1
85.07526	2.8
91.05468	17.8
93.07038	29.0
94.07362	4.7
95.04967	9.1
95.08601	13.0
96.08736	2.5
97.02899	7.9
97.06555	5.0
97.10175	3.6
99.04443	2.9
105.07047	9.9
107.08618	13.5
109.02878	3.9
109.06563	2.9
109.10159	7.7
111.08075	5.8
119.08593	6.2
120.08120	2.6
121.06517	6.7
121.10172	7.5
122.03640	4.2
123.08072	3.2
123.11710	3.0
124.03985	3.2
125.02339	2.6
127.03941	7.1
131.04936	3.8
133.02859	10.8
133.10161	3.1
134.03203	7.5
135.11714	5.9
137.02335	5.0
137.05971	16.3
137.09613	3.8
138.06325	4.0
139.07550	9.6
145.04953	6.7
147.04413	7.0
153.01819	23.2
161.05978	4.9
161.09604	2.7
162.03752	4.4
163.03943	3.7
163.07483	3.8
165.07030	4.3
165.09186	5.0
167.07031	6.6
177.05446	5.7
178.02718	5.8
193.04950	69.0
194.05309	40.2
222.06520	2.5
248.17784	2.6
259.99197	2.8
296.25781	25.0
297.11023	2.4
314.23151	5.1
314.26877	100.0
315.05017	30.9
332.27689	6.2
372.45468	2.8
488.81265	3.0
495.18042	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	493.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.7
57.03437	0.5
63.06524	0.4
67.05499	2.1
71.57375	0.7
72.08153	44.7
72.57757	0.5
79.05477	1.6
81.03407	1.1
81.07049	2.0
83.05001	0.8
83.08644	0.8
85.98847	0.5
91.05505	2.2
93.07040	2.0
95.04977	0.8
95.08585	1.4
97.06512	0.5
97.10162	0.6
98.10126	0.5
101.78741	0.5
103.05479	3.1
105.07016	1.3
107.08594	1.2
109.10151	1.0
115.05255	0.4
117.07046	0.5
119.08577	1.0
120.08100	100.0
121.08504	0.7
121.10123	1.0
123.08089	0.7
131.08624	0.7
133.10138	1.3
135.11722	0.8
141.78226	0.4
143.42763	0.4
163.11168	0.4
171.14928	6.7
174.12764	2.5
191.39444	0.5
193.12263	1.1
199.14420	7.0
219.14906	17.1
247.14412	20.7
267.14880	10.3
273.19608	1.3
295.14395	13.2
301.19040	2.2
320.65573	0.5
321.19635	1.1
346.21298	3.8
349.19086	2.1
394.21219	3.2
407.63428	0.5
429.57690	0.5
493.28079	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.6
55.01862	3.5
55.05507	23.9
57.03421	9.6
57.06796	3.1
57.07074	54.8
67.05503	69.2
69.07062	23.9
71.04994	3.1
71.08630	38.7
79.05063	3.8
79.05490	42.1
81.03407	8.7
81.07054	53.4
83.04976	11.6
83.08619	25.3
85.06516	4.8
85.10177	21.0
91.05479	27.6
93.07041	46.9
95.04942	7.1
95.08604	37.3
97.06528	12.7
97.10159	18.9
101.81120	2.4
105.07034	5.1
107.08596	32.5
109.02882	2.5
109.10154	27.3
111.07997	2.5
117.06992	7.3
119.08598	4.1
121.10136	9.0
121.72466	2.5
123.11702	9.3
132.06012	2.9
133.10124	3.2
135.11688	61.8
137.13275	5.3
145.10109	8.3
156.95888	2.9
163.11183	11.1
181.12296	13.3
215.67358	2.6
239.23694	13.6
255.01198	2.8
313.91898	2.4
367.68127	2.9
380.33417	2.8
493.30646	9.4
493.38806	100.0
496.06763	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	493.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	14.8
55.01875	22.6
55.05510	43.7
57.03429	14.0
57.07069	4.4
59.04991	5.1
65.03935	2.8
67.05504	56.6
69.03418	18.7
69.07059	24.7
69.24284	6.0
69.24622	35.4
70.89329	2.5
71.04992	13.3
77.48269	2.8
79.05494	78.0
81.03420	70.3
81.07056	65.6
83.01355	5.1
83.04981	35.4
83.08628	33.1
85.02906	36.2
85.06528	6.9
91.05480	68.5
93.07040	80.2
95.04965	43.6
95.08601	48.6
97.02892	16.5
97.06512	13.6
97.10173	6.5
99.04452	6.2
99.08086	5.9
105.04469	4.0
105.07033	39.7
107.04950	18.6
107.08591	44.8
109.02876	8.9
109.06520	31.9
109.10155	100.0
111.04482	7.7
111.08078	23.0
113.05947	3.4
115.05421	4.3
117.07026	10.2
119.08574	56.8
121.06493	30.6
121.10140	30.5
122.98730	3.1
123.08038	23.8
123.11679	13.9
125.05992	3.7
125.09641	5.2
127.03914	14.6
129.07014	11.1
130.48970	3.0
131.08562	17.3
133.06474	10.3
133.10127	35.0
135.08060	9.9
135.11691	83.6
137.05956	4.2
137.09596	20.2
139.07532	63.3
139.11182	4.0
143.08469	4.1
145.06488	5.3
145.10124	18.8
147.07999	14.6
147.11708	16.8
149.09605	5.8
149.13210	5.3
151.07434	3.4
151.11142	13.3
151.14824	9.5
153.12709	4.5
157.10121	12.0
161.13268	3.4
163.07582	8.1
163.11188	24.7
165.09082	3.6
165.12811	4.1
171.11726	3.3
173.09714	6.4
173.13319	4.6
175.07582	10.1
175.11174	12.9
175.14795	32.9
176.71243	2.8
181.12234	6.2
187.14876	3.2
189.08977	3.0
191.10699	6.5
193.08612	9.2
193.12239	49.7
193.15881	50.0
209.11725	10.0
211.13278	41.7
211.16893	46.4
227.12682	3.4
245.27617	2.7
247.09651	6.5
259.20581	3.8
265.10709	8.7
267.16034	3.6
283.11758	11.5
283.15125	2.7
383.21988	3.3
475.26697	9.8
479.61444	3.0
493.27905	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	12.6
55.01871	17.8
55.05513	19.2
57.03433	5.2
60.34533	3.5
62.14756	3.3
65.03938	5.4
67.05503	29.0
69.03422	25.5
69.07065	28.3
69.33705	34.6
71.04990	8.9
79.05481	43.5
81.03427	25.8
81.07059	39.3
81.51720	3.7
83.04974	17.7
83.08611	15.3
85.02896	38.7
91.05477	39.7
93.06478	5.0
93.07040	83.8
94.63376	3.3
95.04976	22.1
95.08611	46.6
97.02861	7.8
97.06529	8.2
97.10174	3.2
99.04459	11.6
99.08061	4.0
103.41758	4.1
105.07016	34.0
107.08589	61.8
109.02874	11.2
109.06499	12.2
109.09413	5.3
109.10133	34.1
111.04434	5.9
111.08087	25.9
117.06950	7.9
119.08562	64.6
121.06472	18.4
121.10110	15.5
123.04480	4.6
123.08080	10.5
123.11695	16.2
127.03945	21.7
129.06995	4.4
131.08580	11.1
133.06436	3.2
133.10123	100.0
135.08008	3.8
135.11690	63.9
136.21260	3.4
137.05960	8.1
137.09592	19.7
138.80273	3.3
139.07536	61.3
139.11296	3.2
143.08524	7.0
145.04964	8.0
145.10088	8.1
147.08105	3.6
147.11696	7.6
149.13248	6.7
151.07516	10.5
157.10114	6.3
159.11697	4.2
161.09651	3.6
165.16438	3.8
171.11659	4.2
173.09515	5.7
173.13257	4.0
175.14835	69.0
181.10184	3.9
181.51930	3.6
183.11681	5.8
185.13145	5.1
191.14412	4.4
193.15872	25.8
197.13298	4.4
211.14752	4.7
211.16707	3.7
265.10727	4.8
295.20514	4.8
313.21625	9.3
408.07950	3.9
475.26599	5.7
492.06064	4.7
493.19937	4.0
493.28033	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	493.2793
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.01028	2.8
53.03940	11.8
55.01875	21.9
55.05505	50.4
57.03435	16.2
59.04995	7.8
64.80399	3.2
65.03933	3.8
67.05504	53.3
69.03432	9.3
69.07063	19.9
70.74175	10.3
71.01357	3.6
71.04987	14.0
79.05490	65.1
81.03413	100.0
81.07048	68.7
83.01347	14.0
83.04977	41.0
83.08614	55.9
85.02898	52.5
85.06532	3.3
91.05479	66.0
93.07040	72.6
95.04967	52.3
95.08608	22.2
97.02898	4.8
97.06538	15.1
97.10159	9.5
99.04469	3.7
102.51920	3.0
105.07033	43.5
107.04972	20.9
107.08595	26.1
109.06517	18.2
109.10138	10.4
111.04449	9.7
111.08080	20.5
117.07028	13.6
119.08579	40.8
121.06521	8.5
121.10130	24.9
123.04494	4.2
123.08073	12.0
125.05997	4.2
125.09630	6.7
129.06998	17.9
130.07785	3.7
131.08562	17.2
133.10101	16.3
135.08020	4.2
135.11682	24.3
137.09668	3.3
142.07841	5.8
143.08539	6.0
145.10095	25.0
147.08067	9.4
147.11673	19.6
149.09622	8.8
153.12778	6.9
155.08524	4.0
157.10132	12.2
163.11165	48.4
165.12831	4.3
171.38657	3.4
173.09567	7.6
175.11180	20.9
181.12148	7.8
191.10623	5.4
193.12244	91.4
209.11742	9.3
211.13274	84.2
227.12796	4.5
249.14819	3.4
261.94373	3.3
267.15845	5.2
386.39371	3.8
475.26602	3.4
493.27930	98.7
494.27844	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	493.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.3
55.01870	17.6
55.05507	43.4
57.03429	17.5
59.04983	3.4
59.52707	2.9
65.03930	3.2
67.05503	62.9
69.03424	9.8
69.07066	17.5
69.50758	16.1
69.51173	6.5
71.04995	13.0
79.05491	72.4
81.03413	100.0
81.06593	3.0
81.07059	59.3
83.04976	32.1
83.08618	43.0
83.64481	3.1
85.02901	31.7
85.06531	3.9
88.94318	2.3
89.17727	3.1
91.05472	64.2
93.06473	4.8
93.07037	67.7
95.04967	44.0
95.08604	45.8
95.92404	3.3
97.02879	8.1
97.06512	13.9
97.10197	15.2
99.04420	5.0
99.08102	3.2
105.07030	43.5
107.04961	20.3
107.08585	39.2
109.06507	16.4
109.10146	19.3
111.04442	11.0
111.08060	21.2
113.06008	3.9
113.33579	2.9
115.05438	3.9
117.07001	22.2
119.04931	2.9
119.08575	38.7
121.02907	4.2
121.06490	13.0
121.10129	21.1
123.04416	3.9
123.08086	9.7
123.11726	4.8
125.05974	3.0
125.09608	11.9
129.06964	16.2
131.04895	4.0
131.08580	22.1
133.06493	8.8
133.10126	15.5
135.08026	5.1
135.11690	33.8
137.09595	3.7
143.08537	4.7
145.10129	29.8
147.08046	6.5
147.11690	20.9
149.06050	3.0
149.09604	11.1
151.07454	3.3
151.11162	2.5
153.09164	3.2
153.12761	7.3
157.10126	18.1
163.11168	61.6
165.12694	6.0
169.10094	3.0
173.09657	3.9
175.11218	16.9
175.12572	3.0
181.12260	14.9
189.11205	5.4
191.10646	7.9
193.10434	3.6
193.12238	68.9
193.14059	3.7
201.14735	3.6
209.11749	13.4
211.13297	70.0
212.34935	2.9
227.12755	63.1
229.14415	3.9
247.13260	11.7
249.14769	6.6
259.13248	3.2
267.15875	14.3
283.15414	8.3
283.71536	2.7
321.16840	3.9
383.21893	6.7
401.23340	7.8
475.26694	16.4
493.27933	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.7
55.01868	18.7
55.05511	50.4
55.48754	3.5
57.03437	20.5
57.07066	4.1
58.83678	3.1
59.05001	4.5
65.03928	5.7
67.05506	63.9
69.03429	10.9
69.07068	17.9
71.04984	10.3
73.02956	3.2
79.05498	66.0
81.03419	100.0
81.07061	67.3
81.93201	3.1
83.01328	5.8
83.04983	33.6
83.08617	41.9
83.42996	2.9
85.02908	29.3
85.06544	5.0
88.53947	3.8
91.05486	60.8
93.07038	58.1
95.04955	46.9
95.08603	30.3
97.02876	8.2
97.06528	14.7
97.10170	19.4
99.08099	3.5
103.22531	3.1
105.07023	36.9
107.04960	22.7
107.08573	26.2
109.02885	3.2
109.06515	13.6
109.10153	17.9
110.75678	3.1
111.04468	17.1
111.08051	19.1
115.05447	3.6
117.06982	18.4
119.08573	36.3
121.02891	8.9
121.06516	9.9
121.10140	24.0
123.08072	10.3
125.05977	5.7
125.09637	19.5
129.06992	16.7
131.08598	20.1
133.06477	7.5
133.10143	13.5
135.04427	4.2
135.08081	9.2
135.11732	19.4
137.09631	5.4
143.08545	6.7
145.10124	22.1
146.13855	3.1
147.04422	4.1
147.07959	7.1
147.11642	19.3
149.09624	13.1
153.12776	8.2
157.10091	19.6
159.08049	4.2
161.09619	5.0
163.11208	29.1
167.07057	3.9
175.11208	20.5
181.12277	8.2
183.11815	3.9
189.11235	12.0
191.10684	11.4
193.12259	69.1
201.12711	3.3
205.12239	3.3
209.11714	19.8
211.13268	63.0
219.13910	3.7
227.12711	18.0
229.12302	4.0
229.14352	6.4
231.13707	4.0
247.13339	13.9
249.14874	7.6
265.14304	3.9
267.15900	14.4
283.15536	8.3
337.21680	3.7
344.01279	3.3
383.22247	13.1
387.45932	3.9
401.23212	8.3
447.27658	5.2
475.26791	24.1
478.62396	4.5
493.21182	6.3
493.27979	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2432
Annotation	Scupolin J
Peak:m/z	Relative Intensity
53.03935	6.9
55.01862	13.3
55.05513	21.8
57.03429	6.6
57.07090	4.0
58.52975	2.7
59.04979	4.6
65.03953	4.5
67.05505	44.7
69.03422	10.0
69.07061	18.8
69.46510	23.1
71.04972	10.0
73.77427	2.9
79.05493	33.7
81.03425	51.0
81.07058	42.3
83.04972	21.4
83.08624	17.9
84.46333	2.9
85.02904	12.5
85.06540	7.5
91.05480	30.2
93.07048	39.7
95.04963	35.4
95.05495	3.9
95.08616	36.0
97.02898	8.2
97.06523	8.7
97.10153	3.9
98.20723	3.5
99.08147	3.3
105.07027	26.0
107.04961	16.7
107.08575	28.7
109.06506	11.5
109.10151	46.5
111.04428	11.3
111.08071	8.6
117.07025	10.3
119.08588	29.1
121.02872	100.0
121.06491	6.7
121.10149	17.6
123.08052	9.1
123.11707	5.1
125.09579	3.7
127.03909	4.2
128.06201	4.6
129.06995	8.3
131.04904	4.0
131.08585	13.4
133.10143	13.3
135.11703	54.8
137.05998	5.4
137.09602	8.6
139.03906	13.2
145.06339	3.5
145.10120	18.2
147.08017	5.8
147.11684	10.1
149.09642	6.7
151.11191	7.7
151.14818	3.7
153.01825	3.5
153.12738	6.3
157.10133	9.1
159.08086	3.7
163.11208	28.9
165.09113	4.5
167.07072	4.2
173.09581	3.3
175.11154	10.0
175.14827	14.7
181.12259	11.9
181.15195	2.9
189.11124	3.3
191.10590	4.4
193.12285	22.8
193.15865	20.1
209.11653	6.9
211.13416	14.7
211.16899	30.1
218.50995	2.8
227.12791	25.5
247.13429	3.9
249.14906	4.2
265.07117	6.4
267.15958	6.8
283.08173	9.7
283.15411	6.0
309.44138	2.9
321.75388	3.0
337.21335	3.0
383.22522	4.1
401.23004	4.8
475.26944	6.2
493.23407	19.8
493.28244	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	493.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
55.01862	6.2
55.05498	2.8
57.03439	5.4
63.89933	2.1
66.76505	2.0
67.05492	7.5
69.03418	13.0
69.07057	3.4
71.04994	4.8
71.57796	3.0
73.02895	7.8
75.32727	2.0
76.16056	2.0
78.42957	2.0
79.05488	18.4
81.03420	11.3
81.07056	42.3
83.04982	4.2
83.08611	2.6
85.02906	21.7
85.06524	3.3
87.04484	2.5
91.05502	12.3
93.07043	19.5
94.04173	2.9
95.04941	11.1
95.08611	7.4
97.02895	10.7
97.06509	3.6
99.04441	3.6
103.05473	5.1
105.07044	9.2
107.04951	4.6
107.08613	5.0
109.02873	8.7
109.06504	4.1
109.10166	4.1
111.08066	5.2
115.03888	2.6
115.05442	3.4
119.08583	8.0
121.06518	7.6
121.10149	5.4
122.03600	3.0
123.08052	4.8
123.11707	2.5
127.03919	9.3
129.07062	2.2
131.04945	6.0
131.08598	4.4
133.02831	14.3
133.04958	2.5
133.06476	2.8
133.10136	5.2
135.08026	3.0
135.11707	2.6
137.05975	37.1
137.09622	3.7
139.07535	5.4
145.02867	5.3
145.04950	7.1
145.06499	4.4
145.10188	3.2
147.04410	2.1
147.11716	4.1
149.06047	4.8
151.07541	9.6
153.01823	8.0
153.05417	2.8
157.10167	2.9
159.08127	2.6
161.06003	5.5
163.03932	2.9
163.07521	6.4
165.05525	5.0
165.06883	2.9
165.09045	2.8
167.07034	11.1
171.58774	2.4
175.07510	3.7
175.14731	3.3
177.05429	15.3
178.02568	8.5
182.08096	3.0
191.07014	4.5
191.10609	3.1
193.04959	100.0
193.06714	5.2
195.08115	2.4
203.06966	2.4
205.08665	2.5
209.08012	2.6
211.07564	2.5
211.09581	4.1
213.61589	2.3
218.06329	3.9
267.17422	2.8
285.11151	2.3
287.12933	3.5
295.16681	2.3
313.17801	2.6
313.25189	3.3
329.44919	2.6
463.96506	2.7
493.31497	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	493.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14263	4.5
51.01350	4.0
53.03930	5.3
54.43235	3.8
55.01860	11.2
55.05516	30.1
56.08048	4.9
57.03429	9.6
64.98244	4.3
67.05502	41.7
69.03454	4.3
69.07059	11.7
71.05028	10.2
79.05499	50.6
81.03416	38.3
81.07063	49.5
83.04983	20.6
83.08620	18.4
84.83265	4.2
85.02922	9.8
85.06537	7.5
91.05479	57.7
93.07040	60.6
95.04975	29.6
95.08608	26.0
95.38806	4.4
97.02884	7.6
97.06538	6.8
97.10189	6.1
98.21475	8.5
103.05465	14.5
104.06274	4.8
105.07038	49.1
107.04941	10.4
107.08607	23.1
109.06498	15.3
109.10152	16.2
111.04434	12.7
111.08099	10.2
115.05444	5.9
117.07025	13.6
119.04948	8.7
119.08576	23.1
121.06533	17.5
121.10152	18.3
123.08096	7.9
123.11726	9.3
125.05965	4.4
129.07019	8.3
131.04893	14.8
131.08585	11.4
132.05696	5.2
133.06516	27.2
133.10152	18.8
135.08052	10.0
135.11687	12.9
137.05939	5.1
145.10141	12.2
147.04434	6.9
147.11632	6.1
149.09587	5.2
149.13261	6.1
151.03867	5.5
151.07587	4.7
153.01839	13.0
153.12692	5.5
155.08636	7.6
159.04459	7.0
161.05960	26.6
163.07523	12.7
163.11180	8.4
165.01860	9.5
165.07010	7.1
165.09100	12.1
175.11154	9.3
177.01839	17.4
177.06897	4.9
181.01309	18.3
181.08624	11.5
183.08131	4.9
189.05469	9.1
191.07072	10.5
191.10594	5.3
192.07643	4.6
193.01459	7.2
193.06589	6.0
193.08643	11.4
193.10739	6.6
193.12210	33.1
195.08080	13.9
202.99799	20.9
205.01178	4.3
205.06572	7.2
209.00874	8.5
209.11572	6.0
211.07603	10.2
211.13260	29.5
219.06522	12.1
221.00931	11.1
221.05968	17.0
221.07973	8.5
223.02417	9.8
223.07521	19.7
223.09558	4.9
230.99226	5.8
233.05989	9.4
235.02397	13.0
239.07024	27.7
249.00311	100.0
249.05754	10.7
251.07074	18.7
253.04855	6.2
255.02922	9.1
257.04453	5.2
263.01932	19.0
267.06470	33.3
269.08105	16.7
277.04965	10.6
279.06595	13.7
283.02393	10.8
295.05997	51.9
297.07574	26.2
305.04602	6.8
307.06036	9.0
311.09216	6.5
313.07098	22.9
313.10571	9.8
315.04926	7.2
323.05524	80.2
324.06174	6.3
325.07056	19.4
327.08716	12.7
341.06543	54.3
351.04919	64.8
355.08087	34.3
357.09653	12.9
369.06049	47.5
373.09125	13.4
379.04514	10.3
383.07678	39.8
387.10794	6.4
397.05432	12.3
401.08762	30.7
411.06952	15.5
429.08368	6.7
489.48254	4.6
493.27820	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35988	2.4
53.03936	5.7
55.01862	11.1
55.05511	17.8
57.03450	5.1
59.04989	5.7
65.03941	6.0
67.05500	23.4
69.03436	6.2
69.07064	7.5
69.43304	28.3
71.04990	5.5
73.06544	4.0
75.04462	10.4
79.05491	63.8
81.03427	21.7
81.07048	28.2
83.04976	21.9
83.08619	10.9
85.02904	10.2
90.39003	2.6
91.05486	36.0
92.81164	3.0
93.07036	39.8
95.04961	21.2
95.08607	9.3
95.26727	3.2
97.02887	5.4
97.06511	5.6
97.10181	3.3
98.20761	6.6
99.08075	4.0
103.05449	14.6
104.06240	3.7
105.04546	3.8
105.07020	37.1
107.04951	16.7
107.08588	13.8
109.06506	9.8
109.10130	4.6
111.04423	5.8
111.08080	8.3
115.05453	6.0
117.07013	9.5
119.04942	10.6
119.08572	16.3
121.06506	17.0
121.10130	9.0
123.08099	4.5
125.02348	6.1
128.06351	3.4
131.04924	11.5
131.08531	5.5
132.05713	6.8
133.06493	25.9
133.10123	6.2
135.07983	3.2
135.11723	7.0
137.02376	9.5
137.05978	6.4
137.09647	4.3
139.07559	6.2
145.10136	9.4
147.00786	4.6
147.04393	5.4
147.08054	6.2
147.11685	9.2
149.05952	7.2
149.09642	4.1
151.07581	4.3
153.01820	9.6
153.06966	4.3
153.12733	7.4
155.08551	8.2
159.04439	13.5
161.05980	23.1
163.07567	8.7
163.11192	8.6
165.01917	15.7
165.06993	12.4
165.09160	11.0
167.03397	5.0
167.08533	7.6
175.00229	3.7
175.11212	5.4
177.01843	35.8
177.05440	6.0
177.07014	6.5
179.07056	6.1
181.01326	30.1
183.08073	8.8
189.01904	7.8
189.05466	7.9
191.06990	17.9
191.10571	6.2
193.01303	7.2
193.06506	11.6
193.08594	17.3
193.12201	12.3
195.08038	11.2
202.99800	29.2
205.01314	8.9
205.04791	3.2
205.06554	10.1
207.02861	5.7
207.07996	3.4
209.00766	10.4
209.05756	3.1
211.07553	12.9
211.13277	13.2
213.09131	4.0
217.01291	6.2
219.06557	13.2
221.00835	23.6
221.06073	28.6
221.08028	6.4
222.06596	4.1
223.02296	6.8
223.07491	15.4
227.12813	8.3
230.99261	9.9
233.06041	8.5
235.02252	16.5
235.07619	7.0
239.07040	19.1
240.07864	3.4
241.04956	5.5
241.08672	5.0
243.02875	4.1
244.03487	3.3
245.00792	7.5
247.02367	3.7
249.00305	100.0
249.05739	17.2
250.06145	4.0
251.07086	24.5
253.04996	4.5
255.02789	7.3
255.06517	4.8
257.04468	8.8
257.08038	5.0
263.01950	20.3
267.06491	45.9
268.07095	3.6
269.05396	4.4
269.07999	21.6
271.02576	3.2
271.06027	7.6
277.04874	11.9
279.06555	12.6
281.04358	4.6
283.02332	12.2
283.05957	7.4
285.07471	8.8
295.02832	6.6
295.05994	63.5
296.06708	5.6
297.07507	37.9
305.02737	30.3
307.05991	6.6
309.07510	4.1
311.09167	3.7
313.03653	5.1
313.07016	38.9
313.10687	12.6
315.04950	14.3
323.01776	4.3
323.05466	94.0
324.06281	4.2
325.06976	28.8
327.08716	15.7
329.10202	6.2
339.08618	9.0
341.06586	76.7
341.10709	4.4
351.04941	38.6
355.08072	26.5
357.09653	13.9
369.06058	55.5
373.09332	16.0
379.04517	4.7
383.07626	41.2
387.06567	4.6
387.10977	6.3
397.05280	6.9
401.08621	29.5
411.07236	12.8
419.09744	6.8
429.08075	8.0
493.27805	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	493.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19354	0.6
53.03952	1.4
53.85733	0.5
69.03424	2.6
70.00308	0.6
71.56675	0.8
71.57045	1.0
72.00018	0.6
74.54382	0.7
79.01856	4.2
79.05521	0.6
81.03414	6.0
81.07065	1.1
85.02905	1.9
89.03968	0.9
91.05476	0.7
95.04946	0.6
97.02889	5.5
107.01320	1.3
109.02881	6.4
109.06544	1.2
123.04422	11.8
125.02367	4.5
127.03930	5.5
133.02869	10.7
135.04416	2.3
137.05991	1.4
143.03392	8.0
145.04932	0.9
151.03889	4.3
153.01831	100.0
153.02794	4.0
154.02167	1.6
171.02892	9.0
179.03395	85.5
180.03726	1.5
189.62874	0.6
196.96634	0.7
211.36334	0.6
239.00255	0.6
244.66911	0.6
247.37976	0.7
297.06055	9.0
315.07007	2.4
330.19107	1.4
331.19455	2.4
427.57385	0.7
493.18350	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	492.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00294	10.6
55.05498	12.0
62.70230	10.5
65.11174	9.4
67.05488	35.0
69.07059	22.1
71.31941	14.3
79.05498	20.7
81.03407	17.3
81.07052	23.1
83.08599	12.3
88.02205	23.9
93.07009	21.2
95.08614	38.6
97.10178	11.4
97.85080	10.7
102.00814	10.7
107.08605	23.3
109.10170	40.6
121.10200	19.6
135.11739	16.4
163.14867	23.2
214.99007	9.6
229.42752	11.4
292.99179	9.4
305.09894	13.0
315.26965	11.0
333.28006	16.9
485.11426	12.1
490.02475	12.3
492.30353	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32611	0.8
53.03926	0.7
54.83933	0.7
55.01861	1.8
57.03434	3.6
60.01885	0.7
60.02144	8.5
61.02924	1.3
64.20215	0.7
69.03086	0.7
69.03429	9.3
71.01331	1.1
71.04987	1.1
71.57215	0.7
71.57625	1.1
73.02896	3.2
78.04672	1.0
79.05476	2.7
81.03409	2.6
81.07069	0.8
85.02908	7.5
85.43987	0.7
87.04446	1.8
89.03914	3.8
91.05478	5.6
93.07030	2.1
95.04953	1.5
97.02881	4.1
103.05442	3.1
104.55308	0.7
105.03380	0.9
105.07005	2.1
107.04974	3.5
107.08571	0.8
109.02891	1.2
109.10094	0.8
115.05459	1.0
117.03358	3.3
119.08564	1.0
121.06512	6.9
122.03592	1.4
127.03901	2.9
131.04942	3.9
133.02853	14.9
133.06483	2.5
134.03596	1.3
135.04398	2.4
135.08072	3.5
137.05977	15.2
139.07559	0.9
145.02838	0.8
145.04926	1.1
147.04320	0.8
147.08051	2.1
149.05974	14.1
150.06735	2.4
151.07553	1.2
153.01816	1.9
161.05981	2.5
161.09624	0.7
163.07593	2.2
165.05460	2.4
165.07008	1.9
165.09093	0.8
166.06207	1.3
167.08592	1.5
175.07542	2.4
177.05528	1.2
179.07034	0.8
179.08594	0.9
181.06456	1.5
182.07233	1.1
191.06961	0.9
191.14307	1.7
193.06499	2.3
193.08589	2.2
193.10162	1.0
195.08040	2.3
197.09618	1.0
199.07458	0.8
201.69524	0.7
208.08896	1.8
209.09598	0.8
210.06772	2.0
211.07550	3.0
213.09108	1.1
219.08092	1.3
221.05994	1.1
221.09628	2.0
223.07494	4.4
223.11142	6.0
225.09132	3.5
226.09879	1.7
227.06967	1.8
227.10593	1.3
228.07791	0.8
235.07571	1.2
236.08459	1.0
237.08974	3.9
239.06972	1.7
240.07794	1.4
241.08632	1.8
241.12206	1.8
242.09322	1.4
243.10130	2.3
249.09131	1.2
251.10686	12.4
252.11333	1.1
253.08591	5.1
253.12253	1.4
254.09407	1.6
255.10173	15.3
257.11707	3.4
258.12515	4.0
263.10623	2.3
264.11447	1.5
265.08569	1.9
267.10052	4.1
268.10938	5.0
269.08221	1.2
269.11740	3.0
270.12268	1.2
271.09818	2.1
280.10925	1.5
281.11768	2.5
283.10141	1.2
283.13309	8.9
287.12903	1.0
295.13336	3.4
299.12878	1.6
301.14328	7.3
302.15109	10.9
312.13467	5.4
313.14493	5.5
329.13828	1.4
330.14600	100.0
331.14954	2.4
358.14038	1.3
396.33347	0.8
492.19965	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	491.3732
Annotation	Lycernuic acid E
Peak:m/z	Relative Intensity
52.73359	4.0
52.96588	5.1
55.05516	31.1
57.03410	5.3
57.07069	10.3
59.04989	8.7
67.05505	46.3
69.03433	7.3
69.07071	45.0
70.10120	13.8
70.10527	7.7
71.04992	10.9
79.05484	28.2
81.03419	6.0
81.07058	81.9
83.04971	13.4
83.08612	26.5
85.06538	49.2
91.05479	26.9
91.58045	4.6
93.07045	74.2
95.04964	14.0
95.08597	100.0
97.06535	17.6
97.10162	19.3
99.08093	10.6
104.33230	3.7
105.07027	52.9
107.04952	9.9
107.08584	82.1
109.06470	6.9
109.10160	83.4
111.08076	48.9
117.07000	7.8
119.07803	7.2
119.08585	61.5
121.06533	7.2
121.10142	75.0
122.42793	4.8
123.08041	7.2
123.11703	46.2
125.09621	60.1
129.07048	5.1
131.08563	19.0
133.10135	81.6
135.11690	52.9
137.09637	14.1
137.13260	16.8
139.07626	5.1
139.11145	9.7
143.07065	5.6
145.10123	25.5
147.07997	6.6
147.11685	52.3
149.09621	9.9
149.13261	32.2
151.11189	11.1
151.14809	5.9
153.12819	5.6
157.08542	22.5
157.10165	7.4
159.11693	35.0
161.13257	32.7
163.11205	15.0
163.14839	17.5
165.12749	18.8
171.10226	10.5
171.11679	9.5
173.13258	26.5
175.14854	16.6
177.12747	16.3
177.16396	13.2
179.14307	10.2
184.07350	6.6
185.13304	9.2
187.14842	13.8
189.16415	16.8
191.14313	9.4
191.17885	8.7
192.11459	5.2
201.16382	21.5
203.17992	7.6
205.19502	5.5
207.17487	10.5
215.17923	12.2
217.15871	4.6
217.19597	5.5
219.17424	36.8
221.15388	5.5
229.19510	9.2
233.19043	15.0
235.16953	9.6
247.20712	6.9
259.20654	5.0
295.76474	4.8
345.27881	23.2
367.29919	9.9
385.31183	12.3
403.32062	69.7
409.34744	6.3
411.36826	5.4
427.35416	16.2
429.37247	12.4
437.34351	8.1
447.38382	7.2
455.35245	34.2
459.27420	4.6
473.30185	5.7
473.36325	74.4
491.25253	6.0
491.31296	7.9
491.37314	22.2
492.37277	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	491.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.9
55.01865	9.0
55.05507	23.8
57.07076	5.9
62.53614	4.0
65.03940	4.4
66.27895	4.3
67.05498	45.4
68.41212	5.1
69.03415	16.0
69.07069	28.9
69.27370	53.8
76.39214	4.4
79.05491	41.8
81.03431	21.1
81.07058	65.0
83.04988	12.5
83.08620	20.7
85.02904	11.7
85.06552	9.6
91.05474	49.4
92.09687	4.2
93.07038	44.8
95.04980	28.9
95.08610	50.6
97.02852	6.5
97.06519	8.6
97.10160	12.2
103.05434	5.1
105.07027	39.9
107.04959	17.9
107.08592	42.1
109.02871	4.9
109.06507	19.6
109.10156	34.1
111.08091	8.5
111.11750	6.0
117.03374	5.0
117.06998	12.7
119.08599	13.7
121.06508	26.2
121.10152	30.9
122.07297	7.5
123.04391	5.8
123.08058	12.3
123.11703	11.2
128.06239	5.4
129.07033	7.7
131.08588	18.0
133.06480	7.9
133.10126	100.0
135.08040	22.9
135.11700	12.1
137.05994	11.3
137.09596	60.6
137.13298	7.7
137.28148	4.4
139.07483	21.7
145.02856	7.2
145.06526	7.9
145.10117	15.1
147.08063	6.3
147.11641	9.0
147.40277	4.3
149.09627	12.7
149.13249	13.9
151.11197	9.2
153.01826	7.0
154.53824	4.0
159.08157	6.0
159.11649	8.9
161.09691	6.1
163.11194	7.6
163.14818	5.2
167.07034	38.2
171.11705	5.2
173.05943	6.5
173.09506	5.7
173.13255	10.3
175.07674	6.2
177.05490	16.0
181.04939	14.2
181.06412	4.9
189.11334	5.1
191.14297	44.6
192.14552	5.1
193.12189	7.7
199.11275	4.8
227.12706	5.4
297.37634	4.7
302.52576	4.4
385.23813	8.0
459.27289	9.1
491.18503	6.3
491.25601	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01870	2.2
55.05507	7.2
57.03427	1.8
57.07082	0.9
59.04996	0.9
60.08303	0.7
62.20409	0.7
65.03920	0.9
65.62477	0.7
67.05505	15.1
69.03432	1.6
69.07052	4.0
71.05003	4.5
71.05330	0.8
71.08559	0.7
71.10145	1.8
71.10489	0.8
78.51075	0.8
79.05493	13.3
81.03403	2.2
81.07052	16.8
83.04964	2.5
83.08614	4.1
85.02898	1.5
85.06535	1.9
91.05476	10.1
93.07033	11.0
95.04976	7.2
95.08598	9.1
95.45499	0.8
97.06517	1.7
97.10176	4.6
103.05466	0.8
104.48002	0.7
105.07043	5.3
107.04956	12.4
107.08590	6.5
109.06524	5.4
109.10143	9.1
111.04443	1.2
111.08091	1.3
115.05369	0.9
117.07042	4.4
119.04923	1.2
119.08565	7.5
121.06496	8.9
121.10156	6.1
122.07318	1.6
123.04411	1.1
123.08044	1.7
123.11715	8.1
125.09644	3.7
128.06160	1.3
129.07021	2.7
131.08589	4.8
133.06474	1.3
133.10118	2.5
135.08060	2.7
135.11671	1.0
137.05981	1.0
137.09610	13.9
141.06985	1.1
143.08543	1.0
145.06482	3.8
145.10123	2.5
147.08034	2.1
147.11697	2.1
149.09598	2.4
149.13254	1.1
153.01842	0.9
153.09035	1.0
153.12794	1.0
155.08632	1.1
155.10628	0.9
157.10159	1.1
159.08057	1.1
159.11673	1.3
161.09644	1.5
163.07520	1.1
163.11163	2.2
165.09113	100.0
166.09459	1.5
167.07018	3.2
167.08369	1.0
167.10664	1.9
171.07910	1.1
173.05983	1.0
173.09604	1.3
173.13248	1.7
175.07600	1.1
175.11177	1.1
181.04980	1.9
187.11310	1.0
187.14845	0.8
189.09393	1.0
189.11214	3.3
191.14259	2.3
193.12251	1.3
199.13307	1.3
201.11136	1.9
205.12311	1.2
207.15862	1.0
211.11186	1.2
219.13821	2.7
233.15334	1.8
249.14781	1.0
255.13751	1.3
273.14871	1.4
275.16473	1.5
289.18225	0.8
349.21609	3.0
367.22626	6.9
385.23834	8.2
399.25427	0.9
403.24756	1.3
417.25885	1.0
459.27438	13.5
460.27588	1.1
473.29126	1.1
491.18921	1.7
491.30411	13.0
492.30270	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3001
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03941	8.5
53.39556	2.9
55.01865	6.0
55.05505	33.9
56.91589	3.1
57.03438	11.8
65.03953	5.5
67.05504	69.4
69.07072	14.9
69.42863	9.9
69.43291	19.6
71.04997	6.3
78.53011	3.0
79.05489	100.0
81.03413	59.9
81.07055	74.9
83.04981	15.8
83.08618	27.7
85.02912	12.4
91.05477	92.7
93.07040	73.0
95.04961	45.0
95.08618	29.5
97.02895	3.3
97.06526	7.4
97.10155	10.6
98.21504	5.8
103.05555	3.7
105.04548	4.1
105.07031	57.9
107.04967	13.5
107.08572	21.9
109.06503	11.6
109.10158	8.9
111.04428	3.8
111.08086	13.6
115.05434	4.6
117.07024	14.5
118.32123	3.0
119.08587	44.7
121.10161	10.0
123.08031	5.1
123.11740	9.7
124.04306	3.0
125.09628	7.3
128.06244	5.3
129.07019	23.0
131.08543	18.4
131.28604	3.4
133.06456	5.6
133.10115	22.5
135.11728	3.3
143.08585	15.2
145.10139	14.2
147.08069	6.2
147.11690	39.4
149.09612	6.7
151.11185	2.9
157.10127	13.2
159.11687	5.1
161.09610	5.6
161.13277	10.9
171.11700	22.4
175.11180	16.3
185.13231	5.6
187.13327	6.3
189.11218	4.3
189.12773	8.2
193.12221	45.8
193.13844	3.9
207.13817	19.8
211.13312	29.2
227.12775	5.5
249.14906	8.8
256.57251	3.7
267.15903	15.4
281.17419	16.3
308.79181	3.1
311.92395	3.1
313.06265	3.4
338.47092	3.5
381.24200	7.3
399.25394	7.7
473.29086	39.7
491.30148	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24998	3.9
53.03935	13.0
55.01861	24.2
55.05267	5.7
55.05511	71.7
57.03421	11.3
57.07077	5.0
59.05009	6.0
65.03947	3.9
67.05504	93.0
69.03406	11.7
69.07059	31.2
71.04996	25.3
79.05070	8.1
79.05489	94.5
80.22652	4.3
81.03423	21.5
81.06592	6.0
81.07053	100.0
83.04977	24.2
83.08616	40.0
83.22295	3.8
85.02897	10.3
85.06535	15.1
91.05482	75.0
93.06480	5.8
93.07045	96.2
95.04973	45.4
95.08601	52.9
97.06524	19.3
97.10169	45.3
99.08103	6.2
103.05458	10.4
105.07030	57.3
107.04951	84.2
107.08586	74.3
107.47900	3.9
109.02863	4.8
109.06513	49.5
109.10168	32.4
111.04434	6.2
111.08069	12.5
117.07014	33.5
119.08592	32.9
121.06494	58.3
121.10139	46.0
123.04444	5.2
123.08096	19.9
123.11681	14.0
125.09615	35.1
128.06181	8.7
129.06998	15.3
131.04959	9.4
131.08575	45.2
133.06470	10.9
133.10135	28.4
135.08087	21.9
135.11713	16.7
137.05986	7.8
137.09622	18.6
137.13188	4.9
139.11206	6.8
141.06931	6.3
143.08537	12.8
143.10764	5.6
145.06483	28.0
145.10114	23.9
145.93567	4.1
147.08008	16.5
147.11678	16.4
149.05965	5.7
149.09595	17.1
151.07570	6.6
153.09122	4.7
155.08533	9.3
157.06508	4.3
157.10153	11.5
159.08060	14.2
159.11671	14.0
161.06003	5.4
161.09610	16.6
161.13278	4.4
163.11185	29.1
165.09116	91.5
167.07118	23.9
167.08305	4.4
167.10672	9.2
169.10184	8.2
171.08014	5.1
171.11732	5.6
173.09641	9.0
173.13289	9.7
175.07561	8.5
175.11160	8.4
175.14828	4.3
179.10669	4.7
181.04955	9.4
181.12282	7.1
183.11713	5.9
185.09589	5.4
187.11122	5.7
187.14862	5.3
189.09091	5.4
189.11185	25.4
189.12718	8.0
191.14308	11.6
192.19476	5.0
193.12216	11.4
195.11652	6.8
197.13313	5.8
199.11351	8.2
199.13261	14.4
203.10764	6.6
205.12198	6.2
209.11644	6.8
219.13768	31.4
227.12608	19.8
233.15337	10.7
245.15604	4.4
247.13264	5.0
247.16891	8.7
249.14914	6.3
255.13791	6.2
273.14871	12.3
275.16394	16.7
281.15231	4.8
297.18613	4.5
325.21686	5.9
329.13754	6.2
339.23166	6.5
349.21637	22.3
357.24020	4.5
367.22668	47.6
385.23792	62.6
403.24719	12.2
417.26678	5.2
445.26126	5.0
455.64154	4.7
459.27448	96.3
473.29703	5.2
491.18225	8.1
491.30661	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02347	2.9
53.03942	11.4
55.01864	12.8
55.05265	4.0
55.05512	54.2
57.03427	12.4
59.04981	6.1
59.06080	2.9
66.61127	3.7
67.05500	78.9
67.74119	3.1
69.03412	5.9
69.07068	23.6
69.56471	16.3
69.56886	8.5
71.04995	8.2
79.05489	94.9
81.03415	65.5
81.07053	86.1
83.01346	8.8
83.04977	31.3
83.08628	31.7
85.02927	16.2
85.06532	5.1
91.05474	100.0
93.07040	78.8
95.04967	51.3
95.08608	48.4
97.02882	8.7
97.06529	13.3
97.10156	15.5
99.08148	3.6
103.05477	5.6
105.04537	3.7
105.07026	63.4
107.04942	25.1
107.08582	36.4
109.02883	4.8
109.06514	20.0
109.10144	17.5
111.04421	5.2
111.08078	13.5
115.05503	4.7
117.07008	27.9
119.04945	4.5
119.08562	41.0
121.06506	13.2
121.10159	17.5
123.08063	15.4
123.11750	6.1
125.09617	10.9
128.06161	4.5
129.06989	21.5
131.04953	4.6
131.08604	19.4
133.06494	6.3
133.10083	24.8
135.07954	3.9
135.11668	17.6
137.09608	7.5
143.08554	9.2
145.10107	31.3
147.04391	14.7
147.05428	3.3
147.08043	9.4
147.11697	28.4
149.09660	6.6
151.07541	4.1
151.11168	3.1
153.12756	9.2
155.08542	6.6
157.10121	9.2
159.11638	4.2
161.09573	7.8
161.13249	8.9
163.11179	33.2
167.07065	10.5
167.08427	4.0
169.10187	4.4
170.73529	3.2
171.07806	3.7
171.11681	14.1
173.09586	5.5
175.11177	9.0
181.05034	5.8
181.12209	3.7
187.14859	3.9
189.11180	8.0
189.12779	10.1
191.10747	7.7
193.12233	26.4
195.11642	3.3
207.13803	11.0
209.10028	3.2
209.11696	17.7
211.13266	17.6
227.12694	15.5
267.15939	12.4
281.17331	6.6
363.23264	4.1
373.77335	3.5
399.25290	6.4
473.29294	26.3
491.26483	25.5
491.29138	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.6
54.39221	3.4
55.01866	4.5
55.05508	24.6
57.03435	5.6
59.04992	3.3
61.37317	2.8
65.03925	3.5
67.05508	37.9
69.03448	14.9
69.07067	26.9
69.36782	9.4
69.37207	21.2
71.04979	8.5
79.05482	17.0
80.58069	3.3
81.03411	14.0
81.07061	49.5
83.04987	15.0
83.08632	12.6
85.02914	10.9
85.06551	5.2
91.05481	31.2
93.07040	29.5
93.73232	2.6
94.37460	3.1
95.01302	4.5
95.04986	14.8
95.08601	47.8
97.02895	9.1
97.06556	4.6
97.10169	5.4
103.05499	3.8
104.65242	2.8
105.07042	18.7
107.04947	9.8
107.07942	5.3
107.08592	33.3
109.02879	4.1
109.06528	16.2
109.10155	100.0
111.04462	3.8
111.08075	9.1
111.67416	2.9
115.05495	3.3
117.07019	6.9
119.04922	6.4
119.08572	42.5
121.06514	5.8
121.10154	21.7
123.04448	4.2
123.08062	12.1
123.11743	10.1
125.06045	3.3
125.09622	5.9
127.03869	4.1
129.07048	4.3
131.08578	8.7
133.10117	26.0
135.08020	6.1
135.11684	82.4
137.05992	12.7
137.09636	25.5
139.07611	6.0
139.11165	4.3
143.08560	4.4
145.06519	7.6
145.10132	12.5
147.08025	4.7
147.11722	9.0
149.09657	4.7
149.13284	4.6
151.11180	14.7
151.14838	9.0
153.12689	4.8
157.10098	3.8
159.11711	5.3
161.09605	4.2
161.13280	4.7
163.11183	11.1
163.14793	3.6
165.07043	4.7
165.09111	14.9
165.12798	4.8
167.07057	25.4
171.11653	4.2
173.06049	3.5
173.13310	4.7
175.14812	32.7
177.05559	3.3
181.05025	6.3
193.15877	47.9
205.12201	4.6
209.11720	7.4
209.15312	5.8
211.16924	61.6
237.05589	3.6
265.05099	4.0
321.04013	6.6
329.13791	6.6
339.04944	9.9
367.04431	4.9
369.09427	4.6
391.09497	3.1
491.26154	11.8
491.32916	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	491.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87216	3.2
53.03938	15.7
55.01656	4.0
55.01872	37.9
55.05508	61.5
57.03421	10.1
57.07071	7.4
59.05001	8.2
67.05504	57.9
68.38622	3.9
69.07068	17.1
70.83702	9.6
71.01355	6.5
71.04985	15.5
79.05489	92.2
81.03413	37.3
81.07056	75.7
83.01347	26.6
83.04981	49.9
83.08612	33.3
85.02884	12.3
85.06530	5.7
91.05477	71.2
93.06474	6.8
93.07043	99.2
95.04966	39.5
95.08597	37.5
97.02900	8.4
97.06537	13.2
97.10172	9.6
98.20805	3.7
99.04448	6.5
99.08118	3.9
103.05487	7.4
105.07033	51.4
107.04962	34.2
107.08595	55.2
109.06524	25.8
109.10175	17.6
111.04446	10.5
111.08110	7.6
115.05399	4.5
117.07012	35.3
119.08599	33.9
121.06498	21.0
121.10120	38.0
123.08057	31.9
123.11735	5.4
125.06001	6.2
125.09637	10.7
129.06976	7.2
130.07803	5.8
131.08615	19.6
133.10152	10.9
135.08038	7.2
135.11697	44.9
137.09639	4.7
139.07542	4.8
139.11192	4.8
143.08527	6.2
145.06400	3.5
145.10123	61.2
147.08061	12.2
147.11682	11.5
149.09592	7.7
153.12715	15.8
155.08519	8.0
157.10199	4.2
159.11725	4.9
163.11172	100.0
167.07069	5.6
171.11555	5.3
173.09647	13.0
173.13174	3.4
181.12207	17.7
189.12781	4.8
191.01170	3.6
191.10632	14.6
209.11795	28.1
219.13705	4.2
227.12825	11.4
283.15265	4.4
294.91199	3.4
369.14227	6.7
371.15778	3.6
378.20657	3.2
473.36432	7.2
491.26013	81.1
492.27072	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	491.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49194	0.6
52.88136	0.6
53.03933	1.8
55.01865	2.6
55.05498	2.1
57.03420	0.9
65.03942	3.4
67.05502	5.2
69.03428	2.4
69.07049	1.7
69.49416	4.1
69.49834	1.4
71.04974	2.2
78.04699	2.3
79.05493	8.5
81.03412	4.5
81.07049	6.2
82.02931	0.5
82.04195	1.1
83.04960	2.0
83.08606	1.7
85.02898	3.6
87.46542	0.6
89.03904	1.0
91.05477	7.2
93.03378	0.7
93.07043	6.3
95.04972	4.8
95.08610	4.2
97.02890	1.7
97.06517	2.0
99.04445	1.0
103.05461	8.7
105.07016	4.4
106.04150	1.4
107.04939	6.6
107.08592	4.6
109.02881	2.5
109.06525	1.9
109.10158	4.7
110.03689	1.1
111.04430	1.6
111.08071	1.3
111.54128	0.6
115.05446	5.7
117.03384	1.7
117.07018	8.1
118.04147	2.1
119.04938	1.5
119.08582	3.1
121.02899	1.1
121.06515	2.5
121.10143	1.8
122.03678	0.8
123.04427	6.9
123.08055	1.4
123.11696	1.5
124.05185	2.5
125.05994	2.1
125.09631	1.0
127.03925	1.3
127.05407	1.0
130.04161	0.9
131.04912	6.7
131.08560	1.7
132.05765	0.6
133.02858	1.6
133.06483	1.4
133.10127	2.8
134.03676	0.8
135.04384	1.2
135.08089	1.7
135.11681	1.8
137.05978	4.5
137.09624	1.8
138.03120	0.8
139.07533	2.1
143.08531	1.3
144.05727	0.8
145.02858	3.5
145.06479	15.8
145.10106	2.1
147.04364	0.9
147.08044	1.5
147.11638	1.2
148.05190	5.1
149.05977	1.5
149.09628	1.1
149.13257	0.9
151.03946	1.5
151.07565	1.5
151.11172	0.8
152.04649	3.0
153.01842	5.2
153.05444	1.8
154.08658	0.8
155.06007	3.4
157.10141	1.0
159.08070	0.9
161.05980	2.2
161.09583	1.3
163.07532	8.5
163.11223	1.1
165.05513	0.7
165.09114	2.5
167.07037	100.0
168.07393	1.5
171.06528	3.3
173.05983	19.6
173.09540	0.9
173.13280	0.7
174.06480	0.6
175.07559	1.1
175.11229	0.7
175.14713	1.0
176.04729	0.7
177.05484	7.6
177.09088	0.9
179.07031	0.6
181.04953	40.4
182.05431	0.9
185.09651	0.8
187.07576	0.7
191.07021	23.2
191.14421	0.7
193.08691	1.1
193.12239	1.7
193.15878	0.9
195.06551	1.7
199.07500	0.8
205.08562	4.4
207.10083	0.7
209.04442	5.0
209.08044	3.1
233.08052	8.1
235.09578	3.6
241.10733	1.9
255.08682	2.1
287.08960	0.8
295.09692	1.2
355.11716	1.2
372.12146	2.0
385.12863	1.7
386.13654	1.1
387.14426	6.1
399.14502	2.0
417.15378	7.5
417.23273	0.9
461.18048	10.7
473.16376	0.8
491.19061	32.0
491.26022	1.3
492.19315	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60615	0.4
51.02380	0.6
53.03940	0.9
55.01860	1.2
55.05512	2.3
63.02379	0.5
64.17868	0.4
65.03917	1.0
67.05513	2.8
69.03428	2.5
69.07063	2.3
71.04984	1.0
71.58196	1.0
77.03947	0.4
78.04706	1.3
79.01856	3.2
79.05494	4.3
79.91572	0.5
80.65219	0.5
81.03411	2.0
81.07056	5.4
81.27701	0.4
83.04967	1.6
83.08606	1.6
85.02908	1.3
85.06511	0.6
89.03924	10.0
91.05457	4.3
93.07044	3.9
95.04977	2.2
95.08615	3.4
97.02860	1.5
97.06529	1.5
97.10166	2.1
99.08112	0.7
103.05465	2.9
105.03368	0.8
105.07023	3.8
106.04184	0.6
107.01309	0.5
107.04953	2.2
107.08606	3.1
109.02859	1.1
109.06494	1.4
109.10147	3.2
111.04460	1.2
111.08047	0.5
115.05456	1.1
117.03381	24.6
117.07013	2.8
119.04935	0.7
119.08583	2.6
121.06493	1.4
121.10137	2.0
122.10497	0.6
123.04429	2.1
123.08057	1.4
123.11707	1.0
124.05196	1.1
125.02352	1.9
125.06016	0.9
125.09644	2.3
127.03914	0.7
127.05422	0.5
127.07557	0.5
129.06987	0.8
131.04947	2.7
131.08571	1.8
133.06470	0.9
133.10123	2.0
134.03610	2.2
135.04413	1.8
135.08034	1.1
135.11688	1.5
137.06021	2.1
137.09622	1.3
139.07535	0.8
139.11266	0.6
143.03403	4.8
143.08549	0.5
143.10614	0.6
145.02844	54.4
145.06468	3.3
145.10141	2.0
146.03197	0.7
146.54138	0.5
147.08040	0.5
147.11707	1.0
149.05989	8.3
149.09587	0.8
149.13239	0.7
151.03922	0.5
151.07590	1.0
151.11159	1.0
153.01830	34.0
153.02873	1.3
153.09084	0.8
153.12677	0.5
155.06056	1.0
157.10034	0.9
159.08084	0.6
159.11694	1.7
161.05905	0.7
161.09612	0.7
161.13254	0.9
163.03941	0.8
163.07558	2.4
163.11148	1.4
165.05411	0.9
165.09126	2.5
167.07039	19.7
171.06554	0.6
173.06015	4.5
173.13342	0.7
175.07588	0.9
175.11267	0.5
177.05469	100.0
178.05827	1.8
179.06947	0.5
181.04982	8.6
186.05481	2.7
187.07686	0.6
189.09038	0.6
189.11255	1.0
191.07027	5.3
191.10728	0.5
191.14247	0.6
193.12160	0.8
205.08589	1.5
205.12297	0.7
209.08125	0.9
217.15770	0.7
219.13840	1.8
227.12831	0.8
233.08032	1.8
235.09650	0.9
261.04630	0.5
311.16553	0.6
329.13770	0.5
371.15005	0.5
381.20996	0.5
383.13770	0.5
387.14301	1.6
417.15338	1.2
445.25876	0.6
445.31464	1.7
461.18149	2.2
463.32492	1.1
464.31024	0.8
473.25186	1.1
491.18906	5.7
491.26685	1.8
491.32053	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89241	0.4
51.02382	0.9
53.03947	0.5
53.36959	0.3
54.67530	0.5
55.05500	0.7
60.96953	0.4
67.05496	1.8
69.03430	1.9
69.07069	1.1
69.49976	1.8
69.50413	1.5
71.04976	0.4
78.04704	1.0
79.01852	4.9
79.05483	1.9
81.03424	2.7
81.07067	2.6
83.04955	0.5
85.02918	1.2
89.03912	9.8
91.05501	2.0
93.07035	1.8
95.04972	1.4
95.08594	1.6
97.02895	1.4
97.10176	0.6
99.04463	0.5
99.08067	0.6
103.05463	0.8
105.07018	1.4
106.04174	0.6
107.01308	0.7
107.04956	1.0
107.08576	1.9
109.02854	1.9
109.06515	0.8
109.10152	1.9
115.05463	0.5
117.03376	25.9
117.07027	1.2
119.04908	0.4
119.08558	1.7
121.06503	1.2
121.10154	1.4
123.04419	0.7
123.08039	0.7
123.11710	0.4
124.05230	0.7
125.02362	3.2
127.03918	1.4
131.04922	0.6
131.08583	0.8
133.06465	0.6
133.10088	1.0
134.03613	1.9
135.04404	1.6
135.08055	0.7
135.11636	0.7
137.05968	1.1
137.09622	0.8
139.07600	0.5
142.13806	0.4
143.03384	7.5
145.02840	57.2
145.06485	1.7
145.10109	0.7
146.03227	0.7
147.11737	0.7
149.05980	6.6
149.09631	0.6
151.07481	0.4
153.01823	68.4
153.02817	2.5
154.02106	0.8
159.08081	0.5
159.11780	0.4
161.05986	0.7
161.09645	0.5
163.03915	1.0
165.09109	5.7
167.07030	6.6
173.05986	1.3
173.13272	0.5
177.05463	100.0
178.05794	1.7
181.05014	1.9
186.05461	1.9
191.07025	1.0
193.12114	0.6
198.83330	0.4
212.24956	0.5
233.08105	0.6
247.13210	0.5
321.09622	0.7
353.55573	0.4
417.15268	0.6
473.10794	3.0
491.18823	2.5
491.26828	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60615	0.4
51.02380	0.6
53.03940	0.9
55.01860	1.2
55.05512	2.3
63.02379	0.5
64.17868	0.4
65.03917	1.0
67.05513	2.8
69.03428	2.5
69.07063	2.3
71.04984	1.0
71.58196	1.0
77.03947	0.4
78.04706	1.3
79.01856	3.2
79.05494	4.3
79.91572	0.5
80.65219	0.5
81.03411	2.0
81.07056	5.4
81.27701	0.4
83.04967	1.6
83.08606	1.6
85.02908	1.3
85.06511	0.6
89.03924	10.0
91.05457	4.3
93.07044	3.9
95.04977	2.2
95.08615	3.4
97.02860	1.5
97.06529	1.5
97.10166	2.1
99.08112	0.7
103.05465	2.9
105.03368	0.8
105.07023	3.8
106.04184	0.6
107.01309	0.5
107.04953	2.2
107.08606	3.1
109.02859	1.1
109.06494	1.4
109.10147	3.2
111.04460	1.2
111.08047	0.5
115.05456	1.1
117.03381	24.6
117.07013	2.8
119.04935	0.7
119.08583	2.6
121.06493	1.4
121.10137	2.0
122.10497	0.6
123.04429	2.1
123.08057	1.4
123.11707	1.0
124.05196	1.1
125.02352	1.9
125.06016	0.9
125.09644	2.3
127.03914	0.7
127.05422	0.5
127.07557	0.5
129.06987	0.8
131.04947	2.7
131.08571	1.8
133.06470	0.9
133.10123	2.0
134.03610	2.2
135.04413	1.8
135.08034	1.1
135.11688	1.5
137.06021	2.1
137.09622	1.3
139.07535	0.8
139.11266	0.6
143.03403	4.8
143.08549	0.5
143.10614	0.6
145.02844	54.4
145.06468	3.3
145.10141	2.0
146.03197	0.7
146.54138	0.5
147.08040	0.5
147.11707	1.0
149.05989	8.3
149.09587	0.8
149.13239	0.7
151.03922	0.5
151.07590	1.0
151.11159	1.0
153.01830	34.0
153.02873	1.3
153.09084	0.8
153.12677	0.5
155.06056	1.0
157.10034	0.9
159.08084	0.6
159.11694	1.7
161.05905	0.7
161.09612	0.7
161.13254	0.9
163.03941	0.8
163.07558	2.4
163.11148	1.4
165.05411	0.9
165.09126	2.5
167.07039	19.7
171.06554	0.6
173.06015	4.5
173.13342	0.7
175.07588	0.9
175.11267	0.5
177.05469	100.0
178.05827	1.8
179.06947	0.5
181.04982	8.6
186.05481	2.7
187.07686	0.6
189.09038	0.6
189.11255	1.0
191.07027	5.3
191.10728	0.5
191.14247	0.6
193.12160	0.8
205.08589	1.5
205.12297	0.7
209.08125	0.9
217.15770	0.7
219.13840	1.8
227.12831	0.8
233.08032	1.8
235.09650	0.9
261.04630	0.5
311.16553	0.6
329.13770	0.5
371.15005	0.5
381.20996	0.5
383.13770	0.5
387.14301	1.6
417.15338	1.2
445.25876	0.6
445.31464	1.7
461.18149	2.2
463.32492	1.1
464.31024	0.8
473.25186	1.1
491.18906	5.7
491.26685	1.8
491.32053	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3572
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
67.05490	58.2
71.58904	26.0
77.61226	21.9
79.05447	21.6
81.07052	26.7
93.07014	50.2
95.08598	47.1
107.08591	29.7
109.10159	77.3
121.10149	24.0
133.68880	24.5
135.11642	25.6
145.10167	24.8
168.90573	20.7
171.10161	62.8
305.45087	21.5
329.48026	23.3
471.34137	34.4
489.35648	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3573
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.58183	2.9
55.05513	26.2
56.76392	3.0
57.03444	6.3
57.07074	6.0
65.03956	3.4
65.63803	3.0
67.05505	97.0
69.07063	32.9
69.37518	8.9
69.37926	20.6
71.04974	4.4
79.05491	40.0
81.03406	4.0
81.07058	62.8
83.04984	3.3
83.08613	17.6
85.06532	4.9
87.04471	6.0
91.05469	37.3
93.07041	52.4
95.04959	10.2
95.08604	54.9
97.06500	7.1
97.10130	3.5
105.07029	37.4
107.08572	41.0
109.10155	78.9
110.06721	3.4
111.08056	7.8
117.07011	12.3
119.08580	38.0
121.06488	3.5
121.10135	33.8
123.08079	3.7
123.11684	14.5
125.09611	4.5
129.07001	7.2
131.08566	20.6
133.10127	31.9
135.08028	4.0
135.11674	20.4
137.09636	7.1
137.13243	6.9
143.08554	8.8
145.10107	21.4
147.11653	19.5
149.09674	6.8
149.13246	7.5
151.14851	4.2
153.09036	4.6
157.10114	8.8
159.11679	16.0
161.09665	4.1
161.13278	11.8
163.14851	5.2
171.11659	8.6
173.11734	12.4
173.13254	11.1
175.14816	7.3
177.12802	4.3
177.16351	8.0
179.10677	3.2
181.12280	4.0
185.13266	8.0
187.14799	6.4
189.16313	4.9
191.17964	6.6
199.14821	3.9
201.16353	3.4
203.17973	6.9
205.12172	3.2
205.19540	3.8
207.13736	3.6
209.13147	3.0
219.13876	4.8
233.15280	4.0
253.19518	3.3
261.22034	6.3
291.23309	4.4
379.29944	8.1
396.79584	3.4
397.30960	11.8
425.33942	4.3
453.33670	6.8
471.35260	25.1
489.36002	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33873	1.7
53.03941	2.6
55.01859	2.4
55.05508	21.6
57.03428	6.9
59.04984	3.7
65.03926	4.1
67.01280	1.9
67.05503	100.0
69.03407	1.7
69.07065	20.3
69.91019	9.9
71.04970	3.0
79.05491	37.6
81.07058	52.5
83.04982	3.9
83.08610	11.2
85.06530	3.6
91.05480	31.9
93.07040	45.3
95.04961	4.8
95.08607	36.7
97.06541	3.3
97.10140	2.6
105.07034	27.3
107.08585	25.6
109.10152	58.1
111.08080	4.9
117.07006	10.9
119.08581	34.4
121.10136	23.0
123.08107	2.6
123.11681	6.2
125.09624	3.7
129.07030	4.3
131.08553	17.0
133.10129	19.3
135.11711	12.1
137.09616	5.2
137.13191	2.0
139.11143	2.9
143.08549	6.8
145.10120	20.1
147.11705	12.8
149.13261	8.2
155.08580	2.0
155.10661	3.2
157.10133	4.8
159.11713	10.1
161.13254	9.2
163.14841	3.5
169.10205	3.1
171.11708	6.6
173.11731	15.4
173.13277	14.0
175.14856	3.3
183.11685	2.9
185.13280	7.8
187.14841	8.9
197.13211	4.0
199.14836	4.7
211.14885	2.4
217.15953	2.2
259.20587	2.9
261.22205	3.3
271.20233	1.8
299.23740	2.2
377.26938	2.7
379.30078	9.4
397.31036	13.9
415.32065	4.9
445.34067	1.8
471.34799	10.9
489.35751	90.6
490.36169	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77887	1.8
53.03942	4.0
54.15428	1.7
55.01868	3.5
55.05507	29.7
57.03424	7.7
57.07067	3.4
58.30275	1.8
59.04992	4.4
63.47540	2.1
65.03957	1.9
67.05502	100.0
69.03417	2.6
69.07063	18.6
70.83045	4.3
70.83433	4.2
71.04977	4.8
79.05487	41.9
81.03413	3.3
81.07053	52.0
83.01331	5.2
83.04962	3.5
83.08614	10.9
85.06541	4.7
88.81695	1.8
91.05482	29.9
93.07037	52.2
95.04972	10.8
95.08602	35.5
97.06525	5.5
97.10165	5.4
104.32001	2.0
105.07029	28.0
107.04955	3.1
107.08592	29.7
109.06546	9.2
109.07188	1.7
109.10148	64.8
111.08090	4.7
117.07026	10.3
119.08577	34.6
121.06521	3.5
121.10126	21.3
122.07391	2.0
123.11715	3.4
125.09641	4.2
129.07028	5.0
131.08563	20.0
133.10143	18.4
135.08099	2.6
135.11726	11.8
137.09564	9.3
143.08575	9.6
145.10109	18.3
147.08061	2.9
147.11665	15.3
149.13284	6.9
157.10136	6.1
159.11697	14.0
161.13269	6.8
163.11203	2.7
163.14903	2.5
169.10216	2.1
171.11723	6.0
173.11761	12.6
173.13287	7.9
175.14792	3.3
177.12674	1.8
182.63556	1.7
183.11670	2.9
185.13330	4.2
187.14925	6.1
197.13232	2.5
211.15073	2.3
213.16530	2.5
215.14247	1.9
239.18198	2.1
261.22211	4.6
271.20706	2.1
300.74738	1.8
379.30112	8.4
397.31046	14.9
415.31967	4.4
432.27060	2.2
471.34888	11.6
489.35806	72.2
490.36203	7.1
510.14133	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.5
55.05509	23.8
57.03431	5.8
57.07060	3.8
59.04990	2.7
59.77106	2.2
61.07066	2.1
61.49145	1.8
65.03915	2.6
67.05501	96.8
69.07059	18.7
70.83328	6.0
71.04985	5.1
79.05484	41.1
79.05909	3.6
79.41560	2.0
79.79088	1.9
81.07052	49.9
83.05013	2.6
83.08622	14.3
85.06543	3.2
85.35757	2.0
91.05479	34.1
93.07032	40.1
95.04968	6.0
95.08598	36.0
97.06515	4.7
97.10136	3.2
105.07012	30.0
107.08589	23.4
109.06563	2.2
109.10156	56.2
110.10462	2.5
111.08096	4.0
117.06348	2.0
117.07016	12.1
119.08582	34.8
119.15661	1.8
121.10155	18.6
123.08043	3.6
123.11721	3.0
125.09624	3.9
129.07028	7.6
131.08556	19.4
133.10132	21.6
135.11664	12.9
137.09636	4.4
143.08583	8.3
145.10133	20.0
147.11656	16.0
149.13278	6.8
155.08600	3.4
155.10699	2.6
157.10132	5.9
159.11700	14.7
161.13229	5.2
163.10982	2.3
169.10168	3.0
171.11708	7.5
173.11761	13.4
173.13300	9.6
183.11713	5.8
185.13329	5.2
187.14877	6.9
189.16476	3.8
197.13278	3.9
199.14890	5.2
201.16426	2.7
220.49586	2.0
243.21213	2.3
261.22000	3.3
271.20782	2.3
285.22202	2.7
299.23904	2.1
315.22946	2.5
345.99881	2.3
361.87723	2.0
377.26956	4.9
379.29852	11.2
397.30905	16.7
415.32239	6.6
471.34662	13.6
489.35815	100.0
490.36194	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	Cimigenol
Peak:m/z	Relative Intensity
50.91527	2.1
55.01862	2.4
55.05505	24.0
56.11028	2.0
56.70881	2.1
57.03423	3.5
57.07072	3.4
59.04982	2.5
63.37557	2.1
65.03926	3.0
67.05499	100.0
69.03419	2.5
69.07074	18.0
71.04987	3.7
71.19217	4.2
79.05479	35.2
81.07053	50.1
81.07520	2.8
83.08614	14.0
85.06536	3.7
91.05475	30.8
93.07027	38.6
95.04984	7.5
95.08596	41.9
95.09165	3.1
97.06526	4.1
97.10189	7.8
105.07022	26.9
107.05025	2.9
107.08589	26.9
109.10146	60.4
111.08083	5.0
117.07043	7.3
119.08571	29.3
121.06531	2.7
121.10123	29.1
121.10904	2.5
123.08078	3.3
123.11726	7.0
125.09641	3.2
129.07002	3.8
131.08559	18.7
133.10123	23.2
135.11674	15.1
137.09631	5.3
137.13295	6.3
139.11201	3.9
143.08627	5.6
145.10149	13.9
146.49377	2.2
147.11642	13.4
149.09517	2.8
149.13304	6.6
155.08612	2.9
155.10728	2.5
156.15190	2.3
157.10196	4.8
159.08067	3.7
159.11659	14.2
161.13216	11.5
163.11230	2.4
163.14879	4.9
169.10173	2.1
171.11766	6.0
173.11807	14.8
173.13333	8.3
175.14868	4.5
177.16309	11.0
183.11775	3.7
185.13330	3.4
187.14880	7.1
189.16513	3.6
197.13310	2.5
199.14926	3.6
201.16493	2.4
205.19588	2.0
211.14894	3.5
223.14900	2.3
223.17131	4.6
227.18050	2.9
247.17102	3.2
253.12575	2.2
287.23691	2.8
356.00061	2.3
379.30188	6.1
397.31122	9.6
453.33972	6.2
471.35382	14.6
489.35986	72.8
490.36365	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3573
Annotation	Emarginellic acid
Peak:m/z	Relative Intensity
50.77521	4.9
51.89827	5.4
55.05495	20.6
62.30372	5.5
67.05501	65.6
69.07070	43.4
79.05482	26.7
81.07059	64.0
83.08610	14.2
91.05470	23.9
92.46636	5.4
93.07044	51.6
95.04971	9.2
95.08596	80.8
96.29205	5.9
97.10215	9.6
99.15783	5.6
105.07012	31.5
107.08572	40.0
109.06505	6.3
109.09457	9.8
109.10149	100.0
111.11672	12.1
117.07019	14.2
119.08586	41.2
121.10141	38.7
123.11703	35.5
131.08522	18.4
133.10114	25.6
135.11665	30.0
137.09616	12.9
137.13289	13.7
143.08655	7.6
145.06366	5.9
145.10118	21.6
147.11659	15.2
149.09634	8.5
149.13237	19.3
157.10088	8.8
159.11652	16.4
161.13264	12.1
163.14807	18.2
172.38457	6.6
173.11734	10.7
174.42836	5.8
177.12808	7.4
177.16373	15.7
191.18019	10.1
205.19547	18.5
219.13857	15.1
219.21112	9.4
229.67615	8.4
229.69766	7.3
302.85828	6.6
349.47983	7.1
383.29288	13.4
397.30930	10.7
427.35367	12.5
445.36676	14.5
453.33551	13.1
471.34448	24.0
489.35898	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01874	2.7
55.05513	21.3
57.03425	2.2
57.07064	3.4
59.05009	3.8
65.03951	4.4
67.05505	100.0
69.03419	2.3
69.07065	11.2
71.04991	5.1
71.58167	2.1
77.03965	1.3
79.05488	35.2
79.05904	2.7
81.03431	1.5
81.07056	42.6
83.05006	3.4
83.08620	9.4
85.06564	4.0
91.05479	23.7
93.07043	37.5
95.04948	9.2
95.08603	25.6
97.06541	2.7
97.10195	3.5
105.07021	15.4
107.04959	1.8
107.08595	20.1
109.06538	4.2
109.10155	59.2
111.08102	5.1
117.07034	5.9
119.08572	21.8
121.10145	17.7
123.08088	2.0
123.11745	3.2
125.09631	3.3
128.06268	1.9
129.07066	2.8
131.08578	10.6
133.10130	13.2
135.11685	9.7
137.09639	4.9
137.13283	1.9
139.11163	1.6
143.08603	3.2
145.09106	1.9
145.10110	9.6
147.11705	7.9
149.13309	3.4
155.10716	2.7
157.10168	3.3
159.11681	8.0
161.13319	4.1
171.11676	2.3
173.11790	17.3
173.13316	3.9
175.14882	2.1
183.11829	1.8
187.14848	2.0
211.14967	1.8
245.19160	1.6
255.90630	1.4
261.22186	3.2
379.30319	1.6
397.31253	5.9
467.58279	1.9
471.34906	5.0
489.35950	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.1
55.05499	24.4
57.07055	11.2
65.03944	7.7
67.05492	48.7
69.03403	20.2
69.07064	43.4
70.38092	5.8
70.83336	18.5
71.04971	21.9
75.01579	5.1
76.64932	5.5
79.05468	26.3
81.03377	10.1
81.07059	82.2
83.04974	10.3
83.08619	13.8
85.02896	18.6
85.06516	18.7
91.05478	34.9
93.07046	49.8
95.04947	20.4
95.08602	82.1
97.06527	15.7
97.10170	10.3
99.04467	9.1
99.08106	16.1
103.05431	6.8
105.07038	38.8
107.04947	16.3
107.08584	49.3
109.02885	7.6
109.06510	11.0
109.10152	50.4
111.04425	8.5
111.08083	14.8
113.09596	6.7
115.05421	10.6
117.07015	10.1
119.04878	7.2
119.08604	35.4
121.06525	17.2
121.10131	40.3
123.04398	7.6
123.08054	12.2
123.11695	29.1
125.09610	17.0
127.03946	7.2
129.06894	7.9
131.04956	8.5
131.08522	9.7
133.02863	11.2
133.10150	36.2
135.08026	14.5
135.11679	25.7
137.05952	26.3
137.09590	19.1
137.13379	6.3
139.11179	9.0
143.08556	7.7
143.10608	8.9
144.09467	6.2
145.06464	17.5
145.10095	20.5
147.08044	11.4
147.11688	17.5
149.09634	11.1
149.13228	19.8
151.07530	16.7
153.12712	7.1
155.05969	6.8
157.10083	14.9
159.11684	20.6
161.06001	6.7
161.09554	10.1
161.13271	8.6
163.07492	6.9
163.11113	12.5
165.05519	9.6
165.09103	27.7
167.07036	100.0
169.10226	6.3
173.05922	12.1
173.13290	17.0
175.14851	9.5
181.04933	57.6
183.11774	9.4
185.09579	8.2
185.13190	6.7
189.16386	9.9
197.13211	6.7
201.16316	7.1
214.72739	6.2
215.06993	6.2
217.15851	6.8
230.78072	5.7
235.09764	6.5
255.65900	5.7
266.21457	6.4
267.83871	6.5
291.26746	7.6
294.21231	5.9
295.20877	6.3
309.27783	14.0
310.44092	6.2
416.14429	9.1
453.33554	9.7
459.16309	8.9
473.09213	5.9
485.93567	6.8
489.17520	41.1
489.23914	10.5
489.35535	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	489.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	11.7
53.27187	2.1
54.96241	2.0
55.01879	15.0
55.05268	2.8
55.05515	35.0
57.03424	9.1
59.04989	2.8
65.03930	6.3
67.05506	71.6
69.03410	3.3
69.07070	17.4
70.86722	2.0
71.04984	10.9
79.05494	100.0
79.11334	2.4
81.03421	25.4
81.07059	73.3
83.01345	8.7
83.04981	26.3
83.08622	17.5
85.02914	4.1
85.06532	5.1
91.05481	78.2
93.07046	94.3
95.04976	34.8
95.08601	42.3
97.02895	4.7
97.06513	8.9
97.10170	7.7
99.04449	3.4
104.10751	3.3
105.04525	2.4
105.07027	53.1
107.04953	21.7
107.08590	34.9
109.06483	12.8
109.10169	10.7
111.04436	2.8
111.08052	4.5
113.09669	2.1
114.34090	2.0
117.07008	21.3
119.08582	34.4
121.06516	9.2
121.10143	17.8
123.08076	14.2
123.11692	2.8
128.06203	4.5
129.07033	18.4
130.07741	4.1
131.08580	12.7
133.06535	4.1
133.10139	14.4
135.08060	5.2
135.11722	16.5
137.09637	4.5
138.81055	2.2
141.07021	2.2
143.08556	9.5
145.06450	4.2
145.10127	27.9
145.11185	3.5
147.08066	4.7
147.11703	38.8
149.09543	2.6
153.12762	6.0
155.08458	3.1
157.10051	2.1
159.11676	3.5
161.09657	7.7
161.13283	14.0
163.11192	30.6
171.11690	27.4
173.09592	5.5
181.12282	3.4
189.12695	12.1
191.10699	3.2
197.84006	2.0
207.13817	27.1
209.11757	4.8
225.14865	3.5
227.12778	5.8
260.23532	2.1
265.14694	2.5
281.17502	2.9
471.27289	4.4
489.28207	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63787	2.8
53.03939	7.9
55.01875	13.1
55.05510	38.9
57.03433	8.7
59.05002	4.6
65.03920	4.3
67.05502	78.9
69.03412	6.8
69.07067	31.1
71.04991	12.1
79.05487	100.0
81.03416	25.6
81.07051	79.5
83.01339	3.3
83.04976	29.1
83.08617	24.5
85.02876	5.7
85.06522	5.9
91.05472	78.9
91.06010	4.9
93.07035	92.4
95.04963	36.8
95.08604	70.0
95.09209	1.8
97.02869	3.9
97.06540	14.3
97.10159	9.4
98.80483	3.1
99.04498	2.9
99.08088	5.3
103.05481	2.8
105.07023	67.0
107.04919	14.4
107.08584	55.9
107.30598	3.0
109.02871	3.0
109.06521	13.4
109.10148	38.5
111.04446	5.7
111.08064	12.6
113.09682	5.5
117.07011	22.0
119.08575	48.4
121.06516	16.2
121.10130	36.9
121.91363	2.9
123.08041	15.4
123.11695	13.9
125.05997	3.4
125.09635	9.5
127.07574	3.2
128.06221	7.3
129.07005	21.8
131.04912	6.0
131.08563	16.7
133.06485	6.3
133.10115	32.0
135.08070	8.4
135.11700	33.3
136.41261	3.3
137.09615	9.8
137.13275	3.5
139.07533	23.7
141.06960	3.2
143.07051	3.1
143.08556	12.9
144.09290	2.8
145.06480	6.2
145.10098	33.2
147.08067	7.5
147.11664	41.9
148.53642	2.6
149.09581	6.6
149.13243	11.5
150.31125	2.8
151.07523	4.3
151.11194	5.4
153.09120	5.9
153.12628	5.1
155.08575	5.9
156.09331	2.7
157.08708	3.2
157.10115	10.3
159.11737	14.3
161.09641	10.4
161.13283	21.4
163.11162	36.8
163.14789	6.4
165.09081	3.9
167.07149	4.5
171.08090	3.3
171.10246	4.9
171.11652	27.5
173.09610	3.4
173.11902	2.7
173.13272	10.3
175.14790	6.3
177.09236	3.1
177.16402	4.2
181.12222	12.0
184.94305	3.6
185.13214	3.5
187.11288	4.6
187.14774	6.5
189.12753	10.5
189.16350	5.9
191.10680	5.9
191.14297	7.7
193.12241	3.3
201.16379	7.9
203.14310	3.3
203.18002	4.0
207.13757	18.1
209.11726	9.8
227.12633	22.4
231.97604	2.8
253.64383	2.9
289.21521	3.3
315.26978	3.1
330.87497	2.7
349.57870	3.2
356.12692	3.3
453.33582	5.8
471.35657	21.2
489.28088	45.8
489.34512	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50156	1.8
53.03945	11.2
55.01863	12.6
55.05508	11.2
57.03419	6.9
59.04985	3.5
61.02905	2.3
65.03931	3.2
67.05505	17.3
69.03424	31.4
69.07062	12.6
70.27705	5.2
71.01335	3.9
71.04990	11.7
73.02904	8.7
77.03906	2.4
79.05069	4.4
79.05492	57.9
81.03412	24.9
81.07050	21.9
83.04974	19.0
83.08601	6.2
85.02898	44.5
85.06531	6.8
87.04455	2.7
91.05469	52.5
93.06477	4.7
93.07037	65.3
95.04955	37.2
95.08602	18.5
97.02893	16.4
97.06514	11.1
99.04460	24.3
99.08126	2.3
101.02399	3.5
103.03917	10.3
103.05468	5.2
105.04521	2.5
105.07027	47.0
107.04948	10.1
107.08582	26.4
109.02870	27.2
109.06503	19.5
109.10155	13.1
111.04422	7.3
111.08071	8.6
113.02354	2.1
113.06003	3.4
115.03822	2.9
115.05430	3.7
117.07014	8.9
118.63388	2.1
119.04901	4.6
119.08578	40.3
121.06491	36.1
121.10135	27.7
123.04388	4.2
123.08056	22.3
123.11691	5.3
125.06013	4.3
125.09567	3.1
127.03922	38.4
128.06210	3.8
129.06995	6.6
130.07841	2.6
131.04858	2.8
131.08595	13.3
133.06456	18.9
133.10115	34.8
135.08029	13.9
135.11687	6.7
137.02339	3.2
137.05972	14.5
137.09602	24.6
139.07527	24.5
141.06923	4.6
143.08574	12.5
143.10692	4.1
144.09315	2.5
145.04965	5.3
145.06488	6.9
145.10107	25.7
146.07265	2.1
147.08035	18.9
147.11668	30.6
149.06004	5.3
149.09612	100.0
149.13249	3.8
150.09953	3.3
151.07492	5.0
151.11163	19.0
151.19496	2.4
153.05441	2.6
155.08517	4.4
156.09331	12.5
157.10097	10.5
159.06905	3.5
159.07974	13.7
159.11667	12.6
160.08850	4.6
161.06047	4.0
161.09641	12.1
161.13258	23.6
163.07535	5.7
163.11182	21.8
165.09100	8.1
165.12723	3.1
167.07030	10.6
169.04930	7.8
169.10089	6.2
171.07950	2.7
171.11653	20.9
173.09633	10.6
173.13255	10.1
174.10408	18.9
175.07549	7.1
175.11142	9.6
177.09122	3.2
177.12747	4.1
179.07068	3.1
179.08589	2.1
179.10588	5.1
179.14314	2.3
181.04982	4.9
181.10031	2.4
183.11685	5.4
185.13347	4.0
187.06056	12.0
187.11166	12.4
189.09129	2.8
189.12726	91.4
189.16307	2.8
191.10686	4.4
191.14299	57.8
191.16045	2.9
193.08652	3.3
194.01778	2.2
195.11736	3.0
199.11197	7.1
201.09068	3.5
201.12746	6.3
203.14267	2.1
205.08510	3.2
205.12262	6.4
207.13780	78.9
207.15749	4.4
211.11223	3.4
213.12691	5.3
215.10625	5.9
217.12183	3.1
223.14825	2.5
227.14372	2.4
229.12369	3.2
231.13847	2.8
233.11694	2.6
243.13802	2.7
245.15344	3.3
247.09746	3.5
249.14786	3.2
265.10635	5.2
266.15421	2.2
273.14902	5.8
309.18362	3.8
315.15933	5.4
327.19650	2.5
333.16953	5.2
351.17975	7.5
369.19089	4.5
445.21838	3.4
471.23605	5.7
471.30209	2.7
489.18201	4.3
489.24551	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.88379	0.6
61.02897	0.7
69.03420	3.2
69.07041	0.7
69.62691	5.5
70.06592	1.2
71.04997	3.3
79.01846	2.1
79.05470	2.2
81.03414	5.7
81.07056	1.7
85.02915	6.2
89.47773	0.6
91.05470	1.4
93.07042	1.2
97.02895	4.9
97.06534	0.8
99.04395	1.2
101.96013	0.7
105.07021	1.0
107.01295	1.2
109.02890	4.7
109.06477	1.1
111.08095	1.7
113.66434	0.6
120.08109	1.1
125.02339	3.1
127.03918	6.6
136.07608	0.9
137.05971	3.2
139.07527	1.7
143.03410	4.3
145.04953	1.4
151.71379	0.8
153.01828	100.0
154.02136	1.1
161.02893	0.8
171.02888	11.3
177.05545	0.8
180.10284	0.9
206.04543	0.9
272.52405	0.7
297.05936	5.6
315.07062	19.8
488.22009	3.8
489.16589	0.9
489.22995	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	489.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.2
51.02374	0.7
53.03940	0.5
53.35194	0.1
55.05494	0.6
57.07064	0.3
59.91704	0.1
67.05505	1.1
69.03426	0.5
69.07060	0.7
69.95409	0.1
71.04981	0.2
71.38287	0.3
72.25278	0.1
79.01852	3.6
79.05515	0.4
81.03410	2.0
81.07049	1.8
83.04980	1.0
83.08598	0.3
85.06530	0.2
85.71782	0.1
91.05480	0.7
93.03394	0.1
93.07045	1.0
95.04970	0.3
95.08604	1.6
97.02884	1.2
97.06551	0.2
99.08060	0.2
105.07018	0.5
107.01299	0.7
107.08586	1.6
109.02872	4.3
109.06506	0.6
109.10152	4.4
111.08066	0.2
115.05453	0.2
119.08577	2.1
121.10147	1.1
123.00784	0.2
123.08067	1.1
123.11714	0.5
125.02344	3.1
127.03943	0.4
131.04950	0.4
133.10104	1.2
135.08002	0.2
135.11693	4.5
137.05899	0.2
137.09610	1.2
138.10385	0.2
143.03394	7.0
145.10121	0.3
147.11713	0.3
149.06020	0.2
149.13226	0.4
151.11179	0.5
151.14857	0.3
153.01822	100.0
153.02791	3.7
154.02167	1.0
159.04384	0.9
159.36301	0.1
163.03796	0.2
167.06995	0.2
169.55049	0.2
175.14810	1.5
177.05490	0.5
181.01300	0.8
181.05057	0.2
183.02904	0.4
187.03877	0.5
191.14395	0.1
193.15857	3.9
205.04922	0.9
207.02834	0.2
211.16928	1.7
215.03416	0.7
217.04977	0.7
233.04434	2.1
235.02480	0.2
243.02887	0.6
245.15605	0.2
261.03943	1.3
279.04904	1.6
319.19113	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09423	0.7
53.03918	1.0
55.01878	1.0
55.05502	3.3
61.20084	0.8
65.03936	1.2
67.05500	6.2
69.03426	5.3
69.07053	3.4
71.04987	0.8
71.19088	1.8
79.01833	1.6
79.05489	7.6
81.03405	1.8
81.07052	10.6
83.04977	3.1
83.08604	0.9
85.02908	1.3
85.06497	0.9
91.05479	12.2
93.07043	4.6
95.04975	2.9
95.08613	3.9
97.02869	0.8
97.06518	1.1
103.05437	1.0
105.07024	11.6
107.04951	4.9
107.08588	21.8
109.02899	2.5
109.06511	4.2
109.10149	9.8
111.08085	1.7
112.91743	0.8
115.05439	3.9
117.07001	3.9
119.08591	5.2
121.06502	2.8
121.10139	12.9
122.07280	8.3
123.08057	1.6
123.11825	0.7
125.02324	1.3
127.03941	1.7
131.04941	0.8
131.08565	4.2
133.10127	100.0
134.10481	1.6
135.08044	11.8
135.11725	2.0
137.09612	71.0
143.03398	4.2
143.08553	2.2
144.09401	0.8
145.10133	1.4
147.11685	1.8
147.35213	0.7
149.09647	3.7
149.13245	9.6
150.53520	0.8
153.01826	47.8
155.94794	0.8
157.10016	0.9
158.10904	1.2
159.11774	0.8
161.61732	1.0
163.14848	2.1
165.12718	0.9
166.42345	0.7
173.13272	7.3
177.05463	1.2
189.12711	0.8
191.14305	36.6
192.14703	1.5
231.32329	0.8
279.04984	2.5
307.26401	0.8
463.90060	0.8
465.54684	1.0
487.19489	1.7
494.34665	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	1.6
51.02372	2.5
52.19024	1.4
53.03952	9.5
53.27174	1.5
55.01858	5.6
55.05513	25.9
57.03418	4.3
57.07060	1.5
59.04987	1.6
60.81002	1.5
63.54863	1.4
65.03927	4.7
67.05504	71.6
69.03413	3.7
69.07073	17.7
70.65018	2.5
70.65373	5.4
71.04967	4.3
73.06512	1.9
79.05493	100.0
81.03422	10.5
81.07058	62.0
83.04977	15.3
83.08615	9.0
85.06535	3.3
91.05484	79.0
92.05784	1.5
93.07044	75.1
94.91272	1.3
95.04367	2.3
95.04969	34.2
95.08598	36.1
97.02896	1.7
97.06542	8.4
97.10181	3.6
99.04505	1.6
99.08057	1.9
103.05466	3.2
105.07026	49.7
107.04957	7.7
107.08597	28.3
109.06507	11.2
109.10163	14.0
111.08063	5.3
115.05354	1.5
117.07026	13.8
119.07795	3.0
119.08582	35.9
121.06499	3.6
121.10142	15.5
121.45280	1.4
123.08071	8.0
123.11735	4.3
123.62928	1.7
128.06172	2.2
129.07004	24.1
131.08603	7.9
133.06512	2.9
133.10136	18.8
135.08083	2.1
135.11673	6.0
137.09612	3.8
141.06989	3.2
141.09091	2.5
143.08560	12.9
145.06499	2.3
145.10129	14.2
147.08028	3.3
147.11685	38.4
151.11171	1.6
151.14882	1.7
157.10124	2.7
159.11664	7.1
161.09608	5.4
161.13260	20.0
163.11238	3.6
171.11693	34.0
173.13219	1.4
175.11325	2.6
175.14774	2.2
179.14291	4.5
187.11098	2.7
187.14758	2.9
189.12764	17.0
189.16365	1.8
191.14305	2.1
207.13802	31.5
208.14104	2.0
225.14891	10.0
233.15388	3.9
269.10757	1.8
346.58588	1.6
451.31937	3.3
469.33365	3.3
487.29984	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	16.3
55.01866	17.5
55.05525	17.2
59.20876	8.7
67.05502	25.7
69.03413	15.5
69.07045	8.8
69.57520	53.7
69.57944	15.9
71.62135	8.8
79.05483	75.2
81.03423	21.1
81.07069	26.3
85.02905	45.6
86.06053	12.8
91.05492	49.3
93.07043	73.9
95.04967	27.6
95.08615	16.5
97.02932	8.7
97.06549	9.7
98.09671	9.4
99.04449	10.5
105.07051	31.1
107.08582	11.9
109.02889	14.9
109.06549	13.6
109.10097	8.4
111.04436	15.7
111.08067	11.8
116.10721	31.5
119.08595	10.4
121.06490	22.6
121.10110	10.5
127.03924	20.0
135.08023	10.9
139.07530	100.0
139.45178	9.2
141.22829	9.5
149.84422	8.5
151.07588	15.8
174.22771	9.3
195.48639	9.4
196.16983	9.4
197.62381	8.4
214.18004	94.7
219.42853	9.5
226.14397	10.7
244.15376	10.6
249.54141	9.6
265.10852	14.9
297.70978	10.0
388.19888	22.8
481.06076	10.3
486.27017	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	486.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	16.3
55.01866	17.5
55.05525	17.2
59.20876	8.7
67.05502	25.7
69.03413	15.5
69.07045	8.8
69.57520	53.7
69.57944	15.9
71.62135	8.8
79.05483	75.2
81.03423	21.1
81.07069	26.3
85.02905	45.6
86.06053	12.8
91.05492	49.3
93.07043	73.9
95.04967	27.6
95.08615	16.5
97.02932	8.7
97.06549	9.7
98.09671	9.4
99.04449	10.5
105.07051	31.1
107.08582	11.9
109.02889	14.9
109.06549	13.6
109.10097	8.4
111.04436	15.7
111.08067	11.8
116.10721	31.5
119.08595	10.4
121.06490	22.6
121.10110	10.5
127.03924	20.0
135.08023	10.9
139.07530	100.0
139.45178	9.2
141.22829	9.5
149.84422	8.5
151.07588	15.8
174.22771	9.3
195.48639	9.4
196.16983	9.4
197.62381	8.4
214.18004	94.7
219.42853	9.5
226.14397	10.7
244.15376	10.6
249.54141	9.6
265.10852	14.9
297.70978	10.0
388.19888	22.8
481.06076	10.3
486.27017	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	486.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01863	1.0
62.61843	0.5
69.03426	3.6
70.06592	1.1
70.63386	1.5
71.04978	0.7
79.01856	1.8
80.15155	0.4
81.03424	6.7
85.02895	3.8
91.05502	0.9
93.07030	0.9
95.04957	0.8
95.08661	0.4
97.02880	4.4
98.97571	0.7
99.04440	1.1
103.07155	0.4
107.01302	1.4
109.02876	4.8
109.06541	0.7
112.11312	0.4
116.03423	0.5
119.08535	0.8
125.02361	3.0
126.21436	0.5
127.03910	7.7
133.10150	0.7
139.20937	0.5
143.03365	4.7
145.04956	1.6
153.01822	100.0
154.02161	1.2
161.73596	0.5
167.07072	1.4
171.02893	12.5
182.28969	0.5
198.82278	0.5
224.31276	0.6
249.36594	0.5
279.04898	0.9
282.28922	0.5
297.06052	7.5
315.07089	19.4
315.10776	1.0
316.07474	0.7
324.18954	0.8
472.67596	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77754	3.6
51.02382	3.7
52.60167	3.6
53.03933	7.8
55.01873	9.3
55.05507	27.9
57.03433	9.1
57.07069	7.5
61.02907	4.7
62.38079	3.2
62.64524	3.6
67.05495	22.1
67.05791	3.3
69.03420	21.6
69.07060	17.0
69.76790	25.2
70.06601	4.6
71.04977	17.9
73.02904	11.2
78.76544	3.4
79.01851	8.5
79.05482	19.7
81.03414	24.0
81.07057	38.8
83.04964	10.0
83.08618	19.4
85.02893	29.7
85.06548	12.2
87.04471	10.4
91.05479	36.3
93.07041	29.9
95.04974	10.5
95.08598	18.8
97.02879	17.8
97.06522	8.1
99.04465	3.8
99.08091	6.1
105.06992	27.5
107.04968	5.3
107.08577	21.4
109.02849	17.5
109.06516	13.6
109.10129	16.3
111.08092	9.1
113.09736	4.4
114.46472	3.9
115.04038	3.8
115.05447	5.5
117.07026	15.7
119.08555	20.6
121.06473	7.1
121.10151	13.9
125.02374	6.7
125.09644	14.5
127.03932	15.2
128.06245	6.7
129.06999	12.6
131.04948	4.4
131.08537	26.7
132.05313	3.5
133.06520	7.4
133.10115	16.6
133.46706	3.7
135.08031	5.7
135.11655	6.6
137.05957	19.8
137.09619	6.7
139.03825	5.9
139.07500	6.0
141.07025	7.1
143.03398	9.9
143.08548	11.2
145.04980	5.5
145.06467	8.1
145.10132	13.3
146.05974	4.4
147.04391	5.0
147.08031	15.0
147.11749	7.4
149.09604	9.2
151.11281	5.5
153.01816	100.0
153.02841	5.9
153.07066	4.8
155.08546	8.3
157.06462	7.6
157.10098	7.6
159.08075	13.2
159.11688	8.5
161.05962	6.2
161.09654	9.8
161.13249	4.3
163.11325	4.8
165.06976	3.8
167.07114	5.0
167.08551	5.3
167.10712	4.8
169.10114	7.2
169.12192	6.8
171.02948	9.9
171.08026	6.1
171.13786	4.0
173.05971	4.9
173.09610	7.7
173.13254	5.4
175.11177	9.9
177.09064	5.6
181.04918	5.0
181.10237	4.7
183.02870	12.4
183.11784	5.0
189.09143	5.8
189.12834	4.6
195.08104	4.7
197.13274	4.2
199.07680	4.2
199.14767	4.2
201.09171	5.8
217.08546	4.0
219.06506	11.1
222.69954	4.3
223.14774	6.1
227.14308	5.5
235.09532	7.9
259.16983	6.6
271.73737	3.4
275.16354	5.2
287.12854	7.0
287.16306	8.8
293.09271	4.2
297.06094	7.0
305.13727	45.6
305.17520	14.5
322.13486	4.2
323.13998	7.2
323.18387	5.5
323.26031	6.0
323.40637	3.7
423.19992	4.2
424.22601	4.2
439.19431	7.3
485.19397	32.3
485.32208	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99892	3.7
53.03952	10.1
55.01874	34.4
55.05504	23.6
57.03447	7.2
57.07063	6.0
65.03932	5.4
66.19477	4.6
67.05503	43.7
69.03424	46.6
69.07065	13.1
69.38300	35.7
71.04988	36.9
73.02895	3.8
77.03917	3.9
78.94166	4.3
79.05490	73.8
81.03414	51.2
81.07051	73.7
83.04980	9.6
83.08612	10.9
85.02892	22.1
85.06537	20.9
87.04459	66.1
91.05476	100.0
93.07037	54.0
95.04965	21.3
95.08619	28.0
97.02892	17.2
97.06514	22.1
99.04485	10.9
99.08085	5.7
103.05524	5.0
105.07027	73.4
107.04935	12.4
107.08574	28.7
109.02866	54.4
109.06525	18.1
109.10154	5.6
111.04454	5.8
111.08095	10.3
113.06030	4.9
115.03923	31.4
115.05459	14.7
116.06313	4.2
117.07016	48.1
119.04951	4.4
119.08599	34.7
121.06516	12.8
121.10156	8.9
123.08073	7.7
125.06024	7.6
127.03939	27.1
128.06232	13.8
129.06979	34.7
131.08569	67.9
133.04979	5.2
133.06471	9.3
133.10117	45.9
135.08073	14.5
135.11670	7.2
137.05962	62.2
141.06967	19.4
142.07780	6.5
143.08548	25.3
145.06528	12.6
145.10130	31.4
147.08029	23.4
147.11707	10.2
149.05965	7.4
149.09639	9.4
150.09877	4.6
151.07553	7.8
151.11198	8.0
153.01830	27.3
154.07721	5.3
155.07111	7.5
155.08572	17.0
157.06505	10.7
157.10124	20.3
159.08083	16.8
159.11700	9.2
161.09641	18.6
161.13252	10.5
163.07571	12.5
165.09189	4.3
167.07152	6.4
167.08598	16.6
169.10136	16.0
171.02815	4.2
171.08012	8.6
171.11691	15.8
173.09610	14.1
173.13263	18.9
175.07504	7.7
175.11165	11.6
177.09108	8.0
180.09317	4.7
181.08635	4.9
181.10104	15.1
183.08023	7.9
183.11711	5.1
185.09621	9.1
189.09105	8.6
191.10652	5.0
191.14314	6.7
195.11731	10.9
197.09567	7.6
197.13326	5.0
197.62451	4.1
199.06000	12.6
199.11134	8.1
201.09102	8.8
203.10725	8.0
207.10117	4.4
209.13289	10.0
213.09145	7.5
215.14462	4.7
221.13287	4.3
223.14830	5.4
227.14388	6.8
229.15753	4.5
239.14360	5.3
241.15892	9.7
243.13844	5.1
245.15332	10.6
251.14308	6.8
257.15356	12.4
259.16901	5.9
263.16156	4.6
269.15237	8.8
275.16345	27.3
287.16434	33.4
305.17557	33.4
323.18652	7.8
413.19476	7.9
431.20715	8.9
449.21796	10.9
467.50729	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	484.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85210	0.7
55.05501	1.7
56.09948	0.7
56.74170	0.6
57.07073	15.3
58.06596	1.2
67.05499	2.0
69.07056	2.4
70.06586	14.5
71.08637	4.9
71.32272	0.9
73.02926	1.4
75.14209	0.6
81.07056	2.0
83.08609	1.9
85.10178	3.3
88.07630	16.9
95.08591	2.9
102.09177	12.9
109.10168	1.1
153.90620	0.7
228.23218	48.0
229.23694	1.1
236.09259	0.9
246.24376	4.4
255.23203	3.3
256.26385	2.7
282.22577	0.7
283.26291	46.0
314.23624	0.9
484.47238	100.0
485.47433	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48280	3.0
53.03933	9.5
55.01870	29.9
55.05503	18.0
57.03431	4.1
65.03932	7.8
67.05504	45.1
69.03425	32.9
69.07044	11.2
71.01341	3.1
71.04993	43.0
73.02913	4.7
79.05492	77.3
81.03413	51.3
81.07052	68.5
83.04953	9.7
83.08609	9.9
85.02905	30.1
85.06529	17.3
87.04462	70.4
91.05480	100.0
92.05805	3.1
93.03384	4.0
93.07043	59.0
95.04960	25.1
95.08608	30.7
97.02892	27.7
97.06527	18.6
99.04442	12.4
99.08058	8.0
103.05463	5.1
105.03386	4.3
105.07027	74.7
107.04942	11.3
107.08582	22.8
109.02888	40.0
109.06503	19.4
109.10123	9.1
111.04413	4.9
111.08051	6.4
113.05973	8.7
115.03918	27.0
115.05453	13.0
117.07021	37.0
119.04942	4.8
119.08572	44.7
121.06520	17.9
121.10133	6.4
121.15774	3.1
123.08069	8.1
125.02335	5.7
125.05999	6.9
127.03907	26.0
128.06210	13.2
129.05508	7.5
129.07002	40.3
131.04939	4.6
131.08565	67.7
133.04997	6.0
133.06493	13.6
133.10114	37.1
135.08020	17.0
135.11716	7.7
137.05966	55.0
137.09616	5.8
139.07515	5.6
141.06970	19.2
142.07748	7.6
143.08543	39.0
145.04918	6.8
145.06511	15.5
145.10107	31.0
147.08035	23.2
147.11674	4.9
149.05925	3.5
149.09598	13.5
151.07539	4.5
151.11156	6.4
153.01826	36.7
153.06976	5.9
154.07703	3.3
155.07030	17.1
155.08542	24.1
156.09331	6.0
157.05148	3.4
157.06488	11.5
157.10139	15.1
158.07201	3.1
159.08066	20.7
159.11688	10.4
161.05934	3.7
161.09622	20.0
161.13257	12.3
163.07536	7.1
163.11218	4.4
165.05479	3.2
165.06923	8.1
165.09039	5.2
166.07730	4.3
167.07147	5.7
167.08551	13.9
168.09315	4.5
169.10147	11.0
171.08034	11.9
171.11719	15.4
173.09602	19.5
173.13275	29.7
175.07539	8.5
175.11172	9.1
177.09087	8.6
178.07687	3.6
179.08530	5.8
181.10117	15.4
183.08099	4.5
183.11758	9.0
185.09590	17.8
185.13277	7.3
187.07547	4.6
187.11203	8.6
189.09134	13.2
189.12691	5.0
191.08559	3.6
191.14336	7.7
193.10162	4.8
195.08093	5.0
195.11691	8.1
197.09647	9.2
197.13254	10.0
199.00076	3.3
199.06035	8.1
199.11153	6.4
201.09163	7.8
201.12714	4.4
203.10663	4.6
209.09583	5.1
209.13258	12.9
213.09119	9.9
213.12695	5.4
215.10724	6.3
217.12259	3.3
219.10138	3.4
221.13226	5.8
223.14662	4.5
227.10681	7.4
227.14206	7.0
229.66214	4.3
233.13171	4.0
239.14355	5.2
241.15846	9.3
245.15427	8.0
247.16866	4.9
251.14308	10.4
257.15399	8.9
259.16861	9.9
263.16486	7.6
269.15344	13.6
275.16394	15.3
285.14880	4.0
287.16431	44.1
305.17435	32.8
323.18350	24.1
385.05524	3.5
431.20523	9.5
449.21512	10.1
464.41849	3.7
467.22446	11.4
485.24106	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	484.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	3.1
52.28405	3.0
53.03932	10.5
54.62969	3.2
55.01863	7.0
55.05495	11.7
57.03425	7.7
65.03927	12.3
67.05241	2.8
67.05504	32.4
69.03428	37.8
69.07051	10.6
70.93221	8.8
71.04978	12.4
73.02923	8.3
79.05491	37.1
81.03038	3.5
81.03423	33.4
81.07055	66.9
82.03772	3.4
82.07357	4.5
83.04958	9.8
85.02905	43.1
85.06517	6.6
91.05478	100.0
93.07049	17.8
95.04958	24.2
95.08569	17.0
96.08935	5.5
97.02876	14.0
97.06523	6.3
97.10152	4.4
99.04441	9.6
105.07040	30.8
107.08578	14.2
108.08896	5.5
109.02848	10.7
109.06504	15.2
109.10146	9.0
111.08009	5.0
115.05441	5.2
117.07005	5.4
119.04929	28.4
119.08564	8.4
121.06493	3.9
121.10125	5.0
123.04401	5.3
127.03919	22.1
128.06131	5.9
129.07008	7.5
131.08565	8.1
133.06491	6.1
133.10139	3.7
135.04417	3.9
135.08102	4.8
136.07518	4.3
137.05968	67.3
145.06410	3.8
145.10121	6.4
147.07983	3.5
147.11656	4.3
149.05957	4.8
151.07599	3.7
151.11153	6.0
153.01796	14.6
167.08572	4.4
173.09608	21.0
181.10057	4.2
183.13853	4.0
240.24504	3.5
263.09097	11.4
281.10223	3.7
283.78894	3.4
420.56091	3.4
429.13766	3.6
496.62381	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	483.295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39925	6.6
52.08067	6.7
53.03927	12.0
55.01853	10.3
55.05493	17.6
55.44360	6.2
57.03425	15.6
61.02910	18.6
66.02495	6.8
67.05499	44.3
69.00299	5.4
69.03423	56.5
69.07056	26.9
69.13634	5.3
71.04975	17.9
71.58167	7.1
73.02914	15.3
75.65316	5.4
77.44580	6.1
79.05492	45.4
81.03409	32.7
81.07055	93.1
83.04978	10.4
83.08623	12.7
85.02898	100.0
85.06510	11.0
87.04494	6.5
91.05453	32.2
93.07042	95.9
95.04968	12.7
95.08590	64.1
97.02880	36.6
97.06516	13.1
99.04459	10.7
104.67573	6.8
105.07027	67.8
107.08588	69.5
109.02830	15.2
109.06511	12.2
109.10152	59.4
111.08035	19.0
114.78563	6.7
119.08561	45.4
121.06490	13.6
121.10125	65.2
123.08064	9.6
123.11679	19.7
125.09631	10.4
127.03948	32.3
129.06952	7.1
131.08562	19.5
133.10150	42.4
135.11678	34.5
137.06044	12.6
137.09618	12.4
142.07759	7.4
143.08575	13.9
145.04993	17.3
145.10072	55.5
147.11693	40.5
149.09642	9.5
149.13284	32.4
151.11159	12.1
153.01820	46.9
155.08566	8.6
156.09262	7.7
157.10101	28.0
159.11691	50.7
161.13239	22.1
163.11122	16.0
165.12743	11.5
167.08627	7.8
169.10098	24.1
171.11671	25.7
173.13278	32.7
175.14742	10.0
177.12772	11.4
183.11702	7.1
185.13150	9.5
187.14806	20.4
191.06860	5.9
191.14304	9.8
197.13210	16.9
199.14742	10.9
201.16351	13.8
211.14772	30.0
213.16420	11.5
215.14275	8.1
215.17892	9.3
225.16414	14.3
227.17990	28.6
229.15915	11.8
257.22546	10.5
261.18491	24.8
267.21039	50.5
285.22070	62.5
303.04926	14.3
303.20111	7.4
303.23163	41.4
321.24115	12.7
423.06213	17.5
483.08371	10.8
483.17996	12.3
508.85223	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	483.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92071	1.2
53.03944	8.7
55.01869	9.8
57.03419	2.8
69.03424	22.5
70.86650	3.6
71.01348	2.2
71.04975	2.5
73.02902	2.7
79.67999	1.1
81.03412	75.5
82.03754	1.3
83.01353	1.3
85.02905	21.5
85.19241	1.2
91.05466	1.3
97.02891	10.3
99.04452	7.6
101.02404	6.3
103.05469	2.9
109.02122	2.3
109.02874	46.6
119.01344	1.7
119.04923	4.4
121.97482	1.1
127.03918	18.4
131.04968	6.4
135.04379	2.8
137.02324	8.4
139.03987	1.3
145.04915	2.1
147.04399	23.8
153.01857	5.9
157.02856	1.6
159.04375	8.0
163.03857	10.0
165.01836	16.2
165.05486	2.0
169.01283	2.6
175.00221	1.3
175.03900	27.5
175.05309	2.2
177.01837	2.9
177.05447	5.5
179.03375	2.9
187.03897	2.0
191.03387	16.6
192.00461	1.7
193.01329	32.0
193.04964	7.7
201.01825	3.5
203.03383	52.2
204.03584	1.4
205.01265	2.4
205.04974	3.9
207.02957	3.4
209.00803	1.2
219.02870	31.9
221.00804	100.0
221.04280	32.8
222.01262	1.5
223.02501	1.6
229.01393	1.4
231.02863	31.0
232.03207	1.6
233.00731	5.4
239.01920	3.0
247.02380	33.6
249.03903	26.4
249.06293	1.9
259.02335	4.9
265.03430	4.8
275.01834	27.2
277.03528	6.8
293.02872	16.8
303.01361	5.6
321.02383	51.4
336.61972	1.2
339.03412	44.4
363.03467	1.5
373.14767	1.5
381.04279	1.3
393.58636	1.2
437.07141	1.4
465.06384	4.6
483.07596	39.9
483.18860	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.3
55.01873	11.1
57.03404	4.7
61.02904	4.1
65.03927	1.6
66.04706	1.7
69.03428	38.2
69.07066	2.6
69.89918	10.0
71.04978	3.8
73.02899	3.7
74.63098	1.4
79.05486	1.9
81.03414	71.7
82.03721	4.2
83.04948	1.9
85.02452	2.0
85.02904	31.8
87.04446	1.5
91.05441	2.8
94.06539	6.1
97.02383	1.7
97.02882	19.5
97.06503	4.3
99.04470	8.6
101.02341	4.4
103.03951	2.0
103.05440	1.8
105.05788	2.4
108.08074	5.8
109.02876	42.3
109.06448	2.0
110.03211	2.2
112.07552	3.8
118.06507	7.2
120.16965	1.4
122.05976	6.1
127.03905	24.2
131.04913	2.8
135.04396	3.1
136.07564	3.4
137.02293	5.5
137.05852	1.6
145.04941	4.1
145.07607	12.2
146.06020	7.7
146.08374	3.3
147.04393	10.4
148.07559	2.3
153.01862	7.9
158.09772	1.7
159.04382	2.4
163.03905	9.5
164.07056	4.1
165.01823	7.6
169.01276	2.3
170.02679	1.7
173.02277	2.4
173.07092	59.2
173.10651	1.8
174.07962	7.7
174.11465	1.6
175.03896	10.5
175.12309	1.9
177.01866	3.5
179.03328	4.5
184.11238	1.7
185.02341	2.0
186.09171	1.9
187.03880	1.5
188.03777	13.9
188.10780	1.6
189.10205	13.1
191.03394	27.4
193.01294	14.2
193.04881	3.0
194.01553	2.0
196.09892	4.5
199.06081	3.2
201.01753	4.7
201.10185	3.8
202.10896	8.3
203.03395	26.4
203.11754	7.6
205.01317	3.8
206.08321	11.3
207.02838	4.8
209.06779	1.5
211.12321	10.4
215.11557	1.7
217.01236	2.0
219.02869	30.5
220.09814	2.8
221.00810	53.3
221.04102	8.3
221.10632	1.8
222.01083	3.0
223.02406	3.4
223.08559	4.0
224.09297	5.2
224.16382	1.6
229.13206	3.2
231.02858	20.0
231.08359	1.7
232.03276	2.3
232.11958	3.6
233.00847	11.2
237.10178	2.0
238.10947	4.1
239.01881	14.3
239.11777	14.8
243.11343	2.0
244.12039	14.5
247.00116	2.1
247.02397	25.9
247.14362	2.0
249.03827	7.0
257.00787	3.3
257.12833	20.3
258.11172	3.5
259.02338	12.6
262.12982	6.1
265.03302	3.8
267.11273	23.6
272.11380	2.3
275.01846	35.2
275.13858	22.5
276.02240	3.6
277.03464	18.6
285.12317	44.1
286.10666	1.9
290.12592	10.0
293.02899	11.1
293.14948	2.4
303.01358	16.2
303.13358	100.0
304.13657	3.3
314.06787	4.1
321.02359	17.5
321.14435	78.6
322.14618	1.9
339.03412	45.1
340.03821	2.2
419.06149	2.2
455.20093	2.2
465.06451	8.0
465.18875	3.5
483.07330	64.1
483.19891	17.7
484.07788	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	483.077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.9
55.01863	7.6
56.93935	2.0
57.03427	3.2
64.65897	2.0
65.03960	2.2
67.05508	3.0
69.03427	20.6
69.59444	10.6
69.59865	3.5
71.01362	3.4
71.04974	2.8
73.02922	3.3
76.86588	2.1
79.05492	4.5
81.03418	86.9
81.07059	13.6
82.03736	2.5
83.04978	2.4
85.02911	21.5
91.05473	5.0
93.07111	2.0
97.02889	12.5
98.20776	2.2
99.04457	7.0
101.02361	7.0
103.05436	3.6
107.04949	2.2
109.02878	46.4
109.06493	11.3
119.04953	4.2
127.03926	24.7
129.07013	2.2
131.04948	5.0
137.02353	10.5
137.05975	14.3
141.01845	2.0
141.09111	2.5
145.05011	3.1
147.04411	22.5
153.01846	5.2
159.04395	5.4
163.03925	6.0
165.01819	20.2
169.08658	4.0
175.00243	2.1
175.03931	26.8
177.01880	3.3
177.05452	4.5
179.03448	2.3
183.06857	3.8
187.03967	2.2
191.03392	16.6
193.01324	34.5
193.04942	4.6
201.01900	4.2
203.03400	55.1
205.01256	2.3
205.04967	4.0
207.02765	2.8
209.00670	3.1
219.02911	26.4
221.00829	100.0
221.04303	29.7
222.01518	1.9
231.02899	30.5
233.00769	3.1
235.02428	3.1
247.02371	30.7
249.03929	22.6
259.02292	4.3
265.03445	3.9
275.01865	23.6
277.03537	3.7
293.02826	14.3
303.01242	3.7
321.02405	41.4
324.28632	1.9
339.03458	41.1
373.89713	2.1
424.88922	2.0
465.06744	3.3
483.07858	33.3
483.14792	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	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37157	1.8
53.03941	2.0
55.01867	2.5
55.05504	4.8
57.03429	6.2
59.05001	2.1
61.02906	1.5
67.05490	5.2
69.03431	18.2
69.07052	8.8
70.06593	1.8
71.02464	1.8
71.02794	3.7
71.04992	16.2
73.02915	5.4
73.06573	2.9
79.05485	8.4
81.03423	16.9
81.07050	22.2
82.07358	2.0
83.04984	3.0
83.08606	5.2
85.02904	17.8
85.06555	3.2
87.04476	8.6
91.05486	8.0
93.07040	16.8
95.04954	6.3
95.08605	5.7
97.02897	16.8
97.06533	2.9
103.03979	1.8
105.07019	4.9
107.08607	12.1
109.02875	4.2
109.06521	2.9
109.10159	4.2
111.08055	3.4
115.03918	16.7
117.07030	1.9
119.08598	3.5
121.02879	5.3
121.10146	3.0
122.03670	3.9
127.03918	5.9
127.07527	1.8
131.08572	1.9
133.04964	15.0
133.10197	2.5
135.11702	21.5
137.05978	44.3
138.06306	15.4
145.04974	2.6
145.08588	3.2
147.11725	2.5
153.01831	16.1
153.12744	100.0
157.10100	2.6
161.09497	2.1
169.01324	3.7
171.13808	7.3
175.11176	2.7
182.02628	1.8
193.12213	11.7
200.85883	2.4
211.13272	9.5
223.46802	1.7
265.08640	2.2
266.09015	2.2
267.15985	5.7
285.16989	18.2
286.04858	2.1
287.05319	4.2
288.05716	2.5
297.11194	3.2
298.11710	3.5
303.05011	4.6
320.04877	3.3
320.22037	2.2
321.06134	2.7
434.16675	2.8
483.17725	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	482.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.1
55.05510	3.0
56.30573	1.3
57.03434	1.9
67.05496	9.8
68.10894	1.3
69.03416	3.2
69.07072	3.9
71.57792	1.8
79.05497	7.4
80.49975	1.6
80.54913	1.4
81.03417	3.0
81.07053	20.4
82.34290	1.4
83.04977	3.2
83.08613	1.5
85.01124	1.7
85.02888	6.6
85.04420	1.3
85.06539	2.8
91.05481	10.7
93.07043	9.4
95.04955	3.0
95.08595	4.2
97.02941	1.9
97.06506	6.1
105.07015	14.6
107.04929	1.9
107.08585	5.9
109.02856	2.8
109.06556	7.2
109.10129	1.7
111.04472	1.4
111.08132	1.3
117.07021	1.6
119.08581	12.5
121.10131	8.3
123.08028	2.1
123.11704	13.6
129.07021	3.4
131.08528	3.9
133.10141	4.3
135.04420	1.4
137.05981	3.9
142.07687	1.4
147.11679	39.4
149.09621	2.3
153.01811	4.2
157.10129	10.5
165.12759	23.2
175.11227	9.0
175.74075	1.4
188.03813	1.5
193.12276	4.2
211.13365	1.7
229.14352	52.3
285.16956	100.0
286.17233	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01856	2.6
55.05487	2.0
57.03437	4.3
59.04983	1.9
61.02907	1.6
66.55118	0.6
67.05502	1.4
68.33340	0.6
69.03429	7.4
69.07047	1.5
69.65637	3.6
69.66045	1.4
71.01352	0.7
71.04987	10.8
73.02911	8.1
73.06546	3.3
73.44202	0.6
79.01839	0.7
79.05481	5.3
81.03416	2.6
81.06585	0.9
81.07051	16.1
83.04967	1.0
85.02898	18.7
85.06526	1.3
87.04424	0.8
91.05463	2.0
93.06481	1.1
93.07038	13.0
95.04961	2.4
95.08594	2.9
97.02888	10.9
97.06501	1.4
99.04420	0.8
104.10750	1.0
105.07027	1.1
107.08591	7.8
109.02879	2.2
109.06518	1.1
109.10130	1.7
110.36440	0.6
111.04460	0.9
111.08083	1.0
115.03925	7.0
117.40878	0.6
121.06477	0.8
123.04422	0.9
123.08018	0.7
127.03905	6.3
133.04977	6.9
135.11681	18.8
137.05962	2.0
145.04927	6.7
151.07553	0.8
153.01799	4.5
153.12733	100.0
154.13110	1.0
163.06027	1.9
163.07295	0.7
167.07013	0.9
181.04892	0.7
181.54718	0.6
211.09619	0.8
223.06064	1.6
241.07039	1.6
259.08087	1.7
285.16953	1.4
320.04495	0.7
323.01840	0.7
324.02112	1.6
328.38351	0.7
361.03207	1.0
362.03745	1.6
366.63574	0.7
381.02670	1.1
382.02838	3.9
404.08463	0.8
422.09259	1.2
437.08270	1.0
483.18774	0.7
495.42130	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09446	0.7
55.01867	1.4
57.03413	1.0
64.72571	0.7
67.05513	0.8
69.03410	2.0
69.07049	1.8
71.04995	1.6
71.49059	0.9
71.49393	0.9
73.02912	1.1
79.05492	4.2
81.07036	1.4
85.02893	3.9
91.05477	5.4
93.07036	3.2
95.04967	1.5
95.08584	0.8
97.02911	2.0
103.05485	4.2
105.07027	14.2
106.04124	1.1
107.04937	3.0
107.08577	2.0
108.05728	1.2
109.02898	1.3
109.06510	1.0
115.05477	0.7
117.06991	1.1
118.04164	6.1
119.04924	1.5
121.06508	3.0
122.07253	0.8
123.08051	2.2
124.05231	1.5
125.06000	0.8
127.03925	1.5
131.04910	2.0
133.04968	1.2
133.06477	15.0
134.07191	1.2
135.04387	2.6
135.08032	2.2
135.11682	1.9
137.05959	5.7
145.05035	0.7
146.03648	1.2
147.04315	1.2
149.05927	4.9
150.06763	8.5
151.07523	5.1
153.12720	9.1
161.05956	3.1
163.03906	2.3
163.07564	1.3
165.09102	9.6
167.07027	9.5
170.64262	0.7
177.05455	3.4
179.07002	1.8
181.08578	2.6
193.08595	45.1
194.08824	0.9
195.06519	1.2
203.02206	0.7
203.75340	0.8
209.08095	11.3
210.08563	0.9
211.09642	100.0
212.09953	2.3
285.75400	0.9
320.04630	1.9
366.76352	0.9
371.14902	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.6
53.30499	1.4
55.01878	9.5
55.05509	22.1
57.03434	10.9
59.04995	1.4
65.03949	2.7
67.05505	78.0
69.03423	8.3
69.07070	18.3
70.11466	2.7
70.11874	6.2
71.04984	11.7
79.05492	44.5
80.05775	1.5
81.03417	51.7
81.07053	78.0
82.07397	2.1
83.04973	14.6
83.08620	17.6
83.76197	1.5
85.02905	25.9
85.06538	9.6
91.05482	68.8
93.07040	38.8
95.04967	29.1
95.08604	18.8
96.08917	1.8
97.02873	5.4
97.06546	9.3
97.10152	5.4
99.04439	5.6
99.08082	2.5
101.06005	1.7
105.07032	68.0
107.04955	5.0
107.08593	47.8
109.02856	1.8
109.06510	11.6
109.10152	88.6
111.04443	2.5
111.08073	13.0
113.06022	5.4
115.07546	2.2
117.07030	3.5
119.08569	16.9
121.06492	2.6
121.10139	8.9
123.08073	4.5
123.11694	13.8
125.09599	3.7
127.07534	2.7
128.06221	1.5
129.06996	11.0
131.04956	1.6
131.08577	14.6
133.06535	3.6
133.10129	100.0
134.10477	3.6
135.07997	3.1
135.11691	3.3
137.05975	7.4
137.09613	2.1
142.07782	4.1
143.08565	1.6
145.10146	3.5
146.23248	1.6
147.08041	2.1
147.11681	12.0
149.09576	5.9
149.13318	1.7
151.09952	3.0
151.11183	53.3
157.10118	11.1
159.11623	2.0
161.09616	1.6
163.11133	2.4
165.12749	3.7
169.12213	10.9
171.89622	1.5
175.11169	13.0
179.10704	4.2
193.12247	44.0
194.12561	2.0
211.13286	51.2
215.12753	5.4
253.14365	46.0
267.16101	2.0
271.15485	2.0
300.69742	1.5
341.39203	1.5
445.25797	1.8
463.26968	3.5
481.20938	1.7
481.27902	46.2
482.28049	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.3
56.26126	1.2
57.03429	0.9
66.04720	1.3
67.05487	2.9
69.03431	3.4
69.07061	1.6
69.92566	1.0
70.06587	1.3
71.04982	2.5
79.05496	4.0
81.03408	8.8
81.07047	5.2
85.02903	5.0
85.06529	1.7
87.04465	1.1
91.05496	5.7
93.07037	3.6
94.04198	2.8
95.04958	3.9
97.02897	3.2
97.06547	1.9
98.20715	2.6
105.07029	3.3
107.04967	3.5
107.08625	1.8
108.61082	0.9
109.02870	4.1
109.06523	2.6
109.10189	1.1
111.04501	1.3
117.07055	1.8
119.04958	1.7
121.06483	2.5
121.10142	1.1
122.03653	8.7
125.02367	1.5
127.03916	2.5
131.04901	1.9
133.10249	1.1
137.05971	100.0
138.06303	1.9
142.79768	1.0
145.06493	1.6
147.04434	2.2
149.05994	1.7
153.01823	8.3
153.05417	1.4
154.02164	2.3
161.06018	2.7
163.07535	2.5
165.07047	2.9
167.07054	3.7
167.10670	1.4
171.08035	1.1
193.06436	1.7
194.07263	4.2
205.06519	1.9
209.06052	1.2
211.07639	1.8
221.05980	2.6
222.06778	4.0
225.09074	2.2
237.09129	3.6
250.06412	1.4
253.08560	2.0
265.08575	9.1
266.08789	1.2
267.10104	2.3
271.09622	1.7
285.11172	7.7
297.11176	13.2
301.11752	1.6
309.10999	1.6
315.12152	9.9
319.04379	2.3
319.12833	2.0
319.16306	1.8
337.01837	2.3
433.16644	2.1
481.06711	2.4
481.19922	2.1
481.26105	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	481.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04493	0.7
53.03956	1.0
55.01867	1.2
55.05517	1.0
57.03438	0.9
58.46627	0.8
58.63577	0.8
65.07880	0.7
67.05492	1.6
69.03448	3.9
69.07059	1.4
69.12908	0.7
71.57468	1.2
79.05484	1.9
81.03405	4.3
81.07057	4.3
83.04968	1.2
85.02887	2.8
85.06504	0.8
91.05484	3.3
93.07066	4.2
94.04205	3.9
95.04956	1.9
95.08590	1.8
97.02882	1.9
97.06510	1.0
98.97588	0.9
99.04436	1.3
103.05462	1.7
105.07019	2.6
107.04979	1.7
107.08620	1.6
109.02843	2.1
109.06496	1.8
109.10159	1.5
111.04473	1.2
115.03938	2.4
115.05459	0.9
116.98589	1.1
119.08581	1.9
121.06470	1.5
121.10100	0.9
122.03632	8.3
123.11667	1.3
125.09645	0.9
126.05326	0.7
127.03944	1.6
129.07129	1.3
131.04912	2.2
133.10135	1.2
135.11629	1.2
137.05971	100.0
138.06345	1.2
141.06978	1.1
143.08589	1.3
145.02872	0.8
145.10074	1.5
149.05974	1.4
151.03844	1.8
151.07584	1.9
153.01804	3.4
153.06900	1.2
159.11731	0.8
161.05984	3.0
163.03951	1.0
163.07466	0.9
165.07053	1.8
166.07770	1.1
167.06996	1.8
175.07489	1.0
181.06544	1.2
183.08078	1.2
193.06522	1.5
194.07288	2.2
205.06526	1.1
211.07370	0.9
215.03673	0.9
221.06010	2.0
222.06735	2.5
225.09102	1.1
227.06940	0.8
233.06033	1.0
235.02339	0.9
237.09123	1.8
245.04242	0.9
249.09119	1.8
253.08659	1.0
257.00821	0.9
259.09589	1.3
265.08615	7.7
267.10175	1.3
271.02332	3.3
277.08548	1.7
283.09760	1.4
285.11212	8.1
297.11255	10.0
301.21484	1.5
303.04800	4.1
309.11298	1.1
319.04642	1.6
319.07977	6.4
319.22772	1.3
401.13651	0.9
421.05548	12.7
421.16476	2.9
422.05994	2.5
433.16541	1.8
481.07455	6.3
481.20801	1.6
482.07532	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01866	0.9
55.05509	1.9
67.05513	1.7
68.91980	0.6
69.03423	3.1
69.07075	1.4
70.86742	0.8
70.87077	1.4
75.80387	0.7
77.08280	0.7
79.05494	2.8
81.03439	3.6
81.07062	4.5
85.02912	2.4
90.57533	0.7
91.05479	2.5
93.07019	3.4
94.04195	2.0
95.04961	1.5
95.08598	2.7
97.02898	2.0
97.06552	1.0
98.97559	0.7
99.08074	0.9
105.07038	2.3
107.04918	1.2
107.08590	1.5
109.02899	1.7
109.06506	1.6
109.10146	1.6
111.08070	1.2
115.03954	1.7
119.08605	0.8
121.10172	1.6
122.03646	7.5
123.04447	1.0
123.11741	0.8
125.06010	1.2
125.09589	1.1
127.03943	1.4
129.07013	0.8
131.04906	1.8
131.08603	0.9
133.06471	1.1
135.08015	1.0
135.11676	0.8
137.02332	1.9
137.05980	100.0
138.06303	2.0
143.08565	1.4
145.04843	1.2
145.10149	1.2
147.04395	1.6
149.06056	1.2
149.09526	0.9
153.01805	2.4
156.12285	0.8
161.06007	3.3
161.09641	0.9
163.11205	1.3
165.06967	1.3
166.07721	0.7
167.07127	1.2
175.03754	0.7
175.07645	0.8
175.11154	1.0
179.07104	1.5
179.08582	1.4
179.10678	0.8
180.06372	0.9
181.06509	0.9
193.06551	0.9
194.07295	2.7
195.08023	0.7
203.03442	1.8
205.06625	1.2
211.07498	1.6
215.03436	1.0
221.06007	1.9
222.06767	2.0
223.07483	0.9
225.09186	1.5
227.03412	1.0
227.07117	0.8
228.04190	0.6
234.06725	0.9
235.02205	1.1
236.93910	0.9
237.09161	2.4
243.02975	0.7
245.04456	2.5
249.08939	0.9
251.07207	0.8
253.08652	2.5
257.04382	0.9
259.09811	0.9
260.06802	2.4
265.08600	7.9
267.10132	1.6
271.02420	7.4
271.09619	1.0
274.06583	0.8
277.08655	1.2
283.09540	1.0
285.11292	8.0
287.05447	1.5
297.11249	9.0
301.21649	0.9
303.05063	2.5
304.05798	2.7
309.10992	0.9
319.04648	1.5
319.08160	13.3
319.22540	1.1
341.13785	1.0
347.05481	1.1
365.06570	1.4
401.13611	1.1
421.05533	30.0
421.16248	3.5
422.06110	5.0
433.16406	1.8
481.07620	14.1
482.07758	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16008	0.5
52.99414	0.5
53.03934	1.9
55.01857	1.5
55.05501	1.4
57.03419	2.1
57.44723	0.6
61.02912	1.2
65.03931	0.9
67.05491	2.3
68.99773	2.6
69.03423	5.0
69.07079	4.2
70.06612	0.7
70.81790	0.7
70.82171	1.8
71.04988	2.1
73.02897	0.7
73.06525	0.7
79.01838	0.7
79.05500	4.7
81.03425	7.9
81.07050	7.1
83.04985	0.9
85.02901	6.4
85.06531	1.0
87.04448	0.6
91.03918	1.0
91.05470	5.8
93.07069	1.7
94.04194	3.5
95.01244	0.6
95.04983	1.2
95.08610	1.0
97.02887	4.1
97.06510	1.5
99.04400	0.9
99.08096	2.1
103.00733	0.6
103.05460	0.9
105.07048	3.1
107.04945	2.6
109.02885	4.2
109.06516	1.5
111.08103	1.8
115.05452	1.4
115.07554	0.7
117.07045	2.9
119.04948	1.6
119.08566	1.2
121.06523	1.1
122.03642	9.1
123.04430	0.9
125.02403	0.8
127.03905	2.4
128.06242	0.9
129.07008	3.3
131.04890	0.9
131.08557	2.2
131.75531	0.7
133.06459	1.2
133.10120	0.9
135.04387	1.8
135.08124	0.9
137.05974	100.0
138.06342	1.4
139.07504	1.4
141.07016	1.3
143.08551	2.1
145.06474	1.3
145.10126	1.2
147.04428	1.2
147.07993	0.7
149.05963	1.1
151.04021	0.8
151.07539	0.8
153.01833	8.0
153.07031	0.8
154.02148	1.2
155.08548	1.7
157.10173	0.8
159.08034	1.2
159.11665	1.2
161.05956	3.6
163.03876	1.3
163.07561	1.5
165.01810	1.2
165.06915	3.3
166.07802	1.7
167.07066	2.3
167.08531	1.5
167.10873	0.6
168.05745	0.7
169.10197	1.4
171.02870	0.6
171.08110	1.2
171.11679	0.6
173.09653	0.8
175.07474	1.0
179.08597	1.0
181.06522	0.9
183.08095	1.4
185.13219	0.8
185.59912	0.6
191.03357	0.8
193.06474	1.6
194.07265	4.5
195.07933	1.1
197.13232	1.3
205.06593	1.4
205.08481	0.9
207.08022	1.0
209.13222	1.0
210.06743	1.2
211.07516	1.8
217.01355	2.1
217.05008	1.1
221.05998	2.4
222.06801	2.8
224.08302	1.3
225.09189	1.9
233.06070	0.7
233.92081	0.7
234.06697	0.7
235.02402	2.7
235.07617	0.9
237.09047	3.5
239.07050	1.1
245.00827	1.5
245.04414	0.9
251.06946	0.8
253.08696	2.3
255.13933	0.7
265.08594	10.7
267.10263	2.0
271.09726	1.9
273.00226	1.0
273.03943	1.4
275.20059	0.8
277.08505	1.2
282.08823	1.9
283.09912	0.8
285.11221	7.0
287.13907	2.0
297.11258	12.8
301.14371	2.3
301.21631	5.0
303.23267	2.5
309.11032	1.9
315.12247	12.4
315.15601	1.1
319.00787	1.0
319.04486	15.9
319.16605	3.1
337.01910	1.5
401.13330	0.7
481.06479	3.2
481.14056	1.0
481.20987	11.9
481.27676	1.1
482.06445	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01849	1.2
55.05524	2.5
57.03423	2.2
57.07082	1.2
60.90636	1.0
67.05511	5.9
69.03429	4.5
69.07058	2.3
70.59826	0.9
71.04998	6.9
71.56986	1.2
71.57339	1.1
73.02886	1.2
79.05487	4.4
81.03403	5.4
81.07053	12.9
83.04990	1.3
85.02911	4.7
85.06538	12.7
87.04462	1.9
91.04975	1.0
91.05472	5.0
93.07040	3.9
95.04983	3.1
95.08617	1.8
97.02855	2.2
97.06519	1.4
97.10085	1.0
99.08086	5.4
105.07020	5.7
107.08571	1.8
109.02882	2.3
109.10153	1.9
117.06998	1.3
119.08589	1.9
121.02837	1.2
121.06531	1.3
123.08073	1.1
127.03938	1.6
127.05068	1.1
129.07024	2.4
131.04929	1.3
131.08592	1.9
133.06488	3.7
137.05974	8.6
141.07030	1.3
143.08537	1.2
145.10165	1.2
147.08040	1.1
153.01845	2.6
159.11778	1.7
165.09134	2.6
167.07117	1.7
214.02663	1.3
221.06036	3.2
237.05490	1.3
239.03448	2.6
242.02095	1.6
249.05521	2.3
263.03693	1.4
263.06601	1.2
265.05081	1.4
267.02887	2.5
270.01666	4.2
277.05045	1.9
280.03723	2.4
281.04300	1.2
287.05487	9.0
295.02328	1.4
297.00421	1.2
298.01004	1.8
301.21558	2.8
305.04547	4.1
307.02325	1.4
308.03180	1.5
310.01218	2.5
313.07077	1.1
319.22641	2.1
320.03143	1.4
322.01184	1.7
323.01852	26.1
326.00626	8.0
333.04102	6.7
336.02707	5.1
337.03394	7.7
338.00513	5.0
347.01837	6.0
348.02713	1.6
349.03497	5.7
350.00595	4.8
351.01349	16.4
351.05234	1.6
354.00079	3.0
360.02563	6.5
360.99393	1.4
361.03391	38.5
363.05048	2.8
365.02692	1.6
367.00641	2.1
369.03973	1.5
373.03293	2.4
374.04211	3.0
375.01291	9.4
375.05151	3.1
376.02029	3.8
377.02914	1.4
381.02402	100.0
383.03809	2.3
386.20749	1.2
387.04913	5.8
389.02933	3.9
403.08139	11.3
411.75696	1.2
413.06476	4.1
421.09225	16.3
431.07584	11.6
437.12390	2.0
449.08600	9.9
479.88104	1.1
481.05377	1.8
481.11819	5.2
481.17105	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
54.53573	0.7
55.01852	1.4
57.03418	1.1
59.76690	0.6
61.02920	1.7
66.06572	0.7
68.99792	1.4
69.03425	3.4
69.07062	0.9
69.44895	5.5
69.45307	1.0
73.02892	1.0
79.05483	1.3
81.03395	3.0
81.07040	2.1
85.02906	8.1
91.03963	0.8
91.05487	1.2
93.07043	1.0
95.08596	0.7
97.02902	4.6
98.20796	1.4
105.07047	0.9
109.02876	1.9
110.06047	0.7
121.02859	1.2
125.02370	0.8
127.03902	2.6
129.06972	0.8
137.02333	16.7
137.03252	0.6
149.06004	0.8
153.01791	4.3
155.08525	1.3
161.05928	1.3
165.01675	0.8
169.01279	4.0
171.04285	1.1
179.19577	0.8
181.01323	1.7
181.08638	1.1
199.03975	1.3
209.08083	2.3
210.08476	0.9
217.05035	1.3
227.03418	1.1
245.04437	4.8
255.02879	1.8
263.05359	0.9
270.72540	0.9
273.03928	13.2
273.06723	1.1
283.02313	1.1
301.03375	13.9
317.12994	0.8
319.04468	100.0
320.04807	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0976
Annotation	Myricetin 3-galactoside
Peak:m/z	Relative Intensity
50.93863	0.7
53.03936	1.5
55.01856	1.9
55.05513	1.1
57.03420	1.6
60.56397	1.0
61.02911	1.4
67.05498	1.6
68.99778	1.9
69.03434	4.8
69.07052	2.1
70.63641	1.9
71.04993	2.0
73.02921	1.0
79.05474	2.5
81.03426	3.7
81.03830	0.9
81.07044	4.2
85.02901	8.6
87.04456	0.9
91.05462	3.0
93.07041	1.4
94.04196	4.4
95.04939	1.6
95.08578	1.5
97.02882	4.8
105.06996	2.2
107.04916	1.9
108.48969	0.8
109.02875	3.3
109.06506	1.0
109.38364	0.7
111.00764	1.8
111.04400	0.9
117.07056	0.8
119.04945	1.4
119.08593	1.0
121.06462	1.3
121.10138	1.0
122.03629	7.9
127.03891	2.8
127.45822	0.8
131.04904	1.0
131.08549	1.1
133.06503	0.9
137.02338	2.2
137.05972	100.0
143.08563	0.9
145.04890	1.2
147.04428	1.8
151.07536	2.1
153.01833	13.3
153.05495	0.9
155.08511	0.9
161.04704	0.8
161.05917	4.3
163.07544	2.1
165.01820	3.4
165.07008	3.0
166.07745	2.2
167.07019	2.7
175.07535	0.8
177.05496	0.9
177.09196	0.8
178.07649	0.7
179.03391	2.0
179.08531	1.3
183.02890	1.5
185.13234	0.7
191.06981	1.4
193.06467	2.1
194.07317	3.8
195.07979	1.3
203.03409	1.0
205.06505	2.4
210.06708	1.4
211.07440	0.8
217.04984	2.5
221.05959	3.0
222.06746	2.4
225.09129	1.9
235.02371	1.0
237.09178	3.8
239.07031	1.5
244.03828	0.8
245.04413	4.5
253.08592	2.1
265.08594	9.6
267.10229	1.9
271.09625	2.4
273.04007	5.8
282.08810	1.2
283.09921	1.1
285.11115	6.3
290.04144	1.8
297.11209	13.3
301.21600	1.1
303.23221	2.0
309.11246	1.0
315.12244	10.7
319.04465	81.4
332.12817	1.0
352.05188	1.0
481.05908	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0971
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
50.67873	0.5
51.18876	0.4
53.03931	1.2
55.01857	1.5
55.05497	0.6
57.03444	0.9
61.02921	1.1
67.05518	1.2
68.99786	1.3
69.03439	3.9
69.07069	1.1
69.27772	0.5
70.15804	2.1
70.16231	0.7
71.04974	0.9
79.05476	1.5
81.03392	3.1
81.07061	2.8
85.02906	9.0
91.03992	0.6
91.05460	1.5
93.07036	1.7
95.04993	0.6
95.08578	1.0
97.02870	4.5
98.20922	0.7
99.04459	0.8
103.09813	0.5
105.07024	1.3
106.04172	0.5
109.02871	1.6
117.07037	0.7
121.02834	0.6
121.06493	1.1
121.10167	0.5
123.00800	0.7
123.04396	0.7
127.03920	2.5
129.07010	1.2
131.08565	0.6
133.06400	0.7
133.10068	0.6
137.02339	14.6
137.03403	0.8
137.05930	1.0
143.04794	0.6
143.08565	0.6
145.04941	1.1
145.06360	0.5
145.10158	0.6
147.04388	1.1
149.05923	1.1
150.06413	0.6
153.01828	4.1
155.08557	0.8
157.10077	0.6
161.05907	0.9
169.01224	3.4
171.04424	1.5
171.11745	0.7
179.03363	0.7
181.01285	1.4
181.08490	0.6
189.05493	1.3
199.03874	1.8
209.08115	0.9
210.08438	0.8
217.04958	1.3
227.03369	0.6
233.04778	0.6
245.04469	4.1
255.02901	1.1
263.05551	0.7
273.03894	11.0
273.06726	1.0
283.02365	1.1
301.03400	13.0
301.21555	2.3
302.07581	0.5
303.05008	0.8
319.04468	100.0
320.04822	1.6
401.84406	0.6
445.25793	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.4
55.01870	1.2
57.03434	2.5
68.99795	1.3
69.03431	18.9
70.83434	3.7
71.01353	2.4
71.04991	1.1
81.03418	93.9
85.02898	8.0
87.13694	0.9
97.02886	5.2
99.04453	4.1
101.02377	1.7
109.02882	45.0
117.03395	1.4
127.03926	8.9
133.02863	2.7
135.04413	1.1
142.97917	1.1
145.02827	1.3
147.04401	2.6
151.03880	1.3
153.01732	1.3
161.02364	4.2
163.03899	9.5
177.01830	1.1
179.03401	3.4
189.01828	11.7
190.02504	1.3
191.03413	9.1
193.01401	2.0
201.01874	3.8
203.03500	2.3
207.02907	8.8
217.01334	18.3
219.02888	10.5
221.00819	3.4
221.04445	1.3
229.01361	2.8
231.02846	2.9
235.02379	35.0
235.04665	2.1
245.00850	13.6
247.02364	7.2
249.04051	1.3
257.00851	1.8
259.02505	2.0
263.01871	11.2
273.00247	16.1
274.01154	1.5
275.01810	11.1
291.01309	8.6
300.99869	6.1
311.52905	1.0
319.01001	6.5
337.01923	38.2
338.02103	1.3
359.66675	1.2
407.02557	3.7
409.89001	1.2
445.03906	1.3
463.05048	14.4
481.06161	100.0
482.06329	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	481.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04644	0.9
51.02386	1.0
51.64964	0.9
53.03949	7.6
56.89803	0.8
57.03420	3.3
58.07347	0.9
69.03429	17.9
69.54504	7.4
71.01328	2.1
71.04974	1.0
72.13823	1.0
79.05485	2.1
81.03416	100.0
85.02911	8.0
90.16037	1.0
97.02876	3.8
98.52501	0.9
99.04452	3.0
101.02361	3.0
105.03396	0.9
107.04945	2.1
109.02880	42.1
117.03366	2.4
119.04872	1.1
127.03905	8.7
133.02853	2.7
135.04457	1.8
145.02844	1.5
147.04398	2.9
150.64366	1.0
159.76453	0.8
161.02324	5.6
163.03914	11.5
165.01852	3.0
173.02371	2.0
179.03456	4.5
181.01390	1.3
189.01848	11.3
191.03394	11.9
193.01297	1.8
193.04961	1.0
201.01863	2.9
203.03369	3.0
205.69568	0.9
207.02882	12.7
217.01326	19.9
219.02899	12.4
221.00861	3.2
229.01323	2.2
229.59113	1.1
231.02927	1.9
235.02362	31.3
235.04654	1.6
239.01900	2.2
245.00827	16.0
246.01418	1.2
247.00034	1.5
247.02370	9.0
257.00964	2.0
259.02417	1.2
263.01843	10.0
271.99710	1.3
273.00256	14.7
274.00928	1.3
275.01877	10.1
291.01346	6.0
294.31277	0.9
300.99823	4.6
319.00974	5.6
337.01913	36.1
338.02414	1.3
379.03006	1.3
381.90829	1.0
395.81613	1.0
407.02396	2.4
410.17902	1.1
463.05118	12.3
473.18985	0.9
481.06143	80.2
482.06314	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	480.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37575	0.4
51.02374	0.5
53.03931	1.7
55.01856	2.3
57.03439	0.5
59.04993	0.5
65.03943	2.6
67.05485	1.4
69.03429	1.4
69.49543	2.5
69.49961	1.3
71.04987	0.6
73.02909	0.6
73.06544	0.8
73.48142	0.4
75.04462	3.4
78.04707	3.0
79.05478	3.7
81.03405	1.7
81.07058	1.8
83.04987	0.5
85.02902	4.3
89.03902	1.2
89.06011	1.0
91.05474	11.5
93.03400	10.1
93.07037	5.5
95.04966	5.1
96.46856	0.4
97.02875	1.7
97.06539	3.1
103.05466	5.8
105.03413	0.6
105.04498	0.6
105.07040	1.7
106.04167	24.4
107.05001	3.0
109.02875	1.5
109.06504	1.4
111.04449	1.0
115.03948	0.6
117.03386	0.9
118.04169	0.6
119.04934	1.4
121.06501	25.8
122.07274	0.5
123.04446	1.1
123.08012	0.8
124.05241	0.6
125.05173	0.7
125.05994	8.0
125.72275	0.6
127.03921	1.7
131.04906	1.4
133.02888	0.6
133.06503	0.9
134.03612	4.1
135.04384	1.9
137.05942	4.8
138.06766	0.7
139.07559	2.7
145.02858	1.1
145.05009	0.7
147.04434	0.6
148.05162	1.9
149.05974	41.0
150.06441	0.5
151.03914	0.7
151.07559	2.0
151.11174	0.4
152.08279	0.7
153.01823	7.8
153.05434	1.7
153.09084	11.9
154.02119	0.6
159.04428	1.0
163.03958	1.4
163.07489	2.5
166.06303	1.0
167.07054	4.6
169.12216	0.4
177.05464	21.9
180.07823	0.6
181.08588	18.6
182.09320	0.5
191.06969	1.6
191.44514	0.4
192.07941	0.6
195.06512	1.0
209.08081	100.0
210.08662	2.5
285.07578	1.3
299.20612	0.4
300.10089	2.2
315.07053	0.6
319.04495	4.4
349.16476	0.5
377.02075	0.7
401.16025	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3082
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
50.16335	0.9
55.05510	5.2
57.07055	1.8
59.88346	0.8
65.19047	0.7
67.05497	1.6
69.07061	4.0
69.40835	3.3
69.41263	4.7
79.05501	1.4
80.41143	0.8
81.07047	1.9
81.59992	0.8
83.08611	1.3
93.07019	1.3
95.08586	1.2
95.65524	0.9
98.06035	7.6
102.06899	0.9
107.08610	1.0
109.10143	1.3
121.10077	1.2
155.56017	0.8
155.77563	0.8
207.98892	0.9
227.21165	0.8
232.76050	0.8
308.29446	100.0
309.29877	1.4
326.30515	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.8
55.01860	8.9
55.05508	36.9
56.80395	2.3
57.03433	15.0
57.07079	3.4
57.57175	2.5
65.03931	3.2
66.79476	1.8
67.05500	94.8
67.65382	1.9
69.03421	5.8
69.07066	25.5
70.64097	4.4
70.64498	5.0
71.05008	10.1
74.90533	2.2
79.05490	64.1
81.02983	3.7
81.03417	49.5
81.07053	100.0
81.18265	1.9
82.07355	3.6
83.04974	14.2
83.08607	33.7
85.02904	23.2
85.06528	7.4
86.14751	2.1
91.05474	56.9
93.06475	4.3
93.07040	74.3
94.07357	2.1
95.04965	51.1
95.08598	32.9
97.06522	11.2
97.10147	6.9
99.08079	3.3
105.07021	38.4
107.04931	7.7
107.08582	35.9
109.06504	10.5
109.10152	11.1
109.24673	2.1
111.08065	14.0
113.05964	3.9
115.05396	3.4
117.07036	14.6
119.08561	23.1
121.06486	5.8
121.10136	29.2
123.08090	4.6
123.11746	5.0
125.09597	6.0
128.18701	2.2
129.06967	12.3
131.08557	20.9
133.06450	3.6
133.10091	19.2
135.08058	6.9
135.11693	10.4
136.12056	2.4
137.05994	2.8
137.09601	4.1
142.07787	3.3
145.10109	8.2
147.07973	2.9
147.11691	13.7
149.09612	7.1
149.13261	28.2
151.11159	4.1
157.10124	12.6
159.11682	12.3
163.11189	2.5
165.12740	4.9
173.13246	2.5
175.11186	16.9
177.12724	7.5
189.11168	2.6
193.12250	54.4
195.13811	12.1
211.13304	45.6
267.15851	3.7
269.17557	4.1
341.24545	2.6
343.22797	7.9
351.23029	2.3
361.23804	3.1
369.24142	6.2
387.25183	14.7
412.02643	2.2
417.26297	2.9
461.28641	7.3
479.23520	3.9
479.30029	65.3
488.86450	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	480.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
57.03437	0.5
57.26836	0.4
61.80548	0.4
69.03431	5.9
69.41811	3.9
71.04993	0.9
73.02921	0.8
79.01853	2.3
81.03420	15.7
85.02900	4.4
85.96269	0.4
97.02887	7.7
98.05959	0.4
99.04446	2.4
107.01305	1.3
109.02876	9.4
125.02335	3.8
127.03911	10.1
133.22780	0.4
137.05995	0.6
143.03392	5.9
145.04950	2.3
153.01823	100.0
154.02177	1.2
161.02414	0.4
163.03902	1.6
171.02885	14.7
175.03949	0.4
189.01865	0.9
191.03371	2.2
196.37051	0.4
207.02884	1.8
217.01297	1.9
219.02859	2.3
219.45535	0.5
221.00874	0.4
233.04402	0.5
235.02325	4.6
245.00833	1.7
247.02394	1.5
257.00879	0.4
263.01825	1.6
273.00241	1.2
275.01962	1.2
277.03342	0.5
278.03830	0.4
297.06046	10.4
298.06540	0.5
300.51984	0.4
300.99805	0.5
303.01288	0.9
304.01773	0.8
307.16870	0.4
315.07104	10.9
319.00867	2.1
326.63608	0.4
337.01834	4.6
445.03955	0.6
463.04861	2.0
481.06128	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	479.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36536	1.8
53.03932	7.6
54.21697	1.8
55.01851	5.7
55.05510	26.5
57.03432	14.0
57.07072	2.4
65.03930	4.7
67.05502	74.9
69.03421	3.9
69.07062	24.9
70.24478	8.7
71.04984	7.5
72.36720	1.8
76.75868	2.3
79.05489	51.9
81.03412	44.2
81.07052	100.0
82.07462	2.0
83.04971	16.6
83.08614	31.3
85.02900	21.8
85.06519	5.7
91.05476	51.2
93.06473	3.9
93.07040	56.1
95.04964	40.2
95.08599	26.1
97.06517	12.5
97.10155	5.8
105.07030	30.3
107.04949	9.1
107.08588	27.3
109.06508	6.3
109.10147	8.9
111.04410	2.9
111.08074	14.8
117.07005	8.9
117.08838	2.0
118.61480	2.0
119.08583	19.7
121.06481	6.5
121.10137	22.5
123.08068	3.8
123.11715	6.4
125.09605	4.8
129.06992	13.7
131.08569	20.1
133.06425	2.2
133.10130	16.4
135.11661	8.0
137.05920	3.5
142.07773	3.7
143.08493	2.7
145.10165	5.0
147.08046	3.3
147.11691	12.9
149.09637	6.3
149.13263	23.8
151.11127	4.0
153.09068	2.8
157.10170	14.5
159.11723	12.5
163.11159	2.4
165.12837	3.0
167.14302	2.5
175.11169	15.7
177.12703	6.1
189.11172	3.1
193.12242	47.5
195.13803	7.5
211.13289	48.1
217.15631	2.4
267.15924	2.8
269.17438	4.0
343.22610	3.8
369.23920	4.3
376.70303	2.2
387.25034	8.5
405.25854	2.6
461.28888	8.0
479.30096	54.4
480.30045	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	479.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.7
55.01864	4.9
55.05511	31.8
57.03428	14.9
57.07079	2.6
58.95634	1.5
63.24452	1.5
64.82382	1.6
65.03932	5.2
67.05502	73.9
69.03426	2.5
69.07063	27.3
71.04995	7.8
71.39802	1.7
79.05491	62.0
81.03414	46.6
81.07055	100.0
83.04982	16.5
83.08612	32.0
85.02905	20.5
85.06534	7.5
89.56395	1.8
91.04905	2.8
91.05473	55.5
93.07042	63.5
94.04127	1.6
95.04965	29.2
95.08604	27.8
97.06531	13.6
97.10164	4.3
98.20720	3.8
99.08076	3.6
105.07034	32.5
107.04957	9.6
107.08589	28.3
109.06493	7.7
109.10173	7.4
111.04440	2.3
111.08081	12.5
113.05999	3.8
115.05421	2.4
117.06292	1.5
117.07011	10.1
119.04904	2.0
119.08574	17.7
121.06518	4.1
121.10124	23.3
123.08032	3.0
123.11710	4.2
125.09657	3.2
129.07010	9.2
129.07802	1.5
131.08589	19.8
133.06496	2.0
133.10127	19.9
135.08054	2.3
135.11710	8.0
136.48097	1.6
137.05971	2.9
137.09589	2.4
142.07796	2.7
145.10124	5.3
147.08070	3.5
147.11662	14.1
149.09639	5.6
149.13257	28.0
151.97684	1.5
155.08496	2.1
157.10126	11.9
159.11658	11.5
165.12749	3.5
175.11156	14.8
177.12784	6.7
193.12231	48.1
195.11873	1.9
195.13840	10.0
211.13275	48.0
267.15851	4.5
269.17487	4.4
340.97009	2.1
367.16913	2.0
387.25568	3.2
461.28928	7.0
472.12100	1.9
479.30026	54.5
480.30710	3.0
497.69455	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.9
55.01862	6.2
55.05505	27.4
57.03439	11.4
57.07048	2.1
58.21296	1.9
59.04987	1.8
63.21356	1.8
65.03927	3.1
67.05501	76.8
69.03437	3.5
69.07056	21.0
70.83466	6.1
71.04984	7.7
77.81161	1.8
79.05019	2.8
79.05484	58.7
80.05817	2.0
81.03412	57.5
81.07049	100.0
83.04978	14.8
83.08612	33.6
85.02902	25.6
85.06528	2.1
91.05471	53.6
93.07034	62.4
95.04961	40.1
95.08607	25.8
97.06515	15.0
97.10160	7.1
99.08086	5.2
105.07018	32.1
107.04967	8.5
107.08590	35.3
109.06499	4.8
109.10150	6.8
111.04475	2.1
111.08080	17.0
113.05997	2.5
115.05405	2.1
117.07035	9.7
119.08569	22.1
121.06493	3.6
121.10126	22.3
123.08093	2.2
123.11732	3.4
125.09634	3.0
128.06227	2.8
128.30981	1.7
129.07004	12.3
131.08566	20.4
133.10117	15.1
135.07997	2.2
135.11665	5.3
137.09599	2.4
142.07854	2.4
145.10118	2.3
145.66559	2.1
147.08067	2.6
147.11655	17.7
149.09613	8.6
149.13242	29.1
151.11171	2.0
157.10133	11.4
159.11673	10.3
165.12770	4.2
171.08624	2.0
173.13248	2.7
175.11197	13.4
177.12701	4.8
190.57793	2.2
193.12230	55.8
195.13792	9.8
201.12871	2.3
211.13275	54.5
267.15842	4.6
269.17502	3.5
343.22464	3.7
361.23633	2.9
369.24274	3.1
387.25330	4.0
461.28809	5.6
479.30035	56.5
480.30502	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.8
55.01866	11.9
55.05518	34.2
56.24620	4.0
57.03426	23.0
57.07061	4.6
61.02923	6.3
65.03945	6.6
67.05501	77.4
69.03435	28.9
69.07064	30.6
69.90839	19.3
71.04984	13.1
79.05492	58.8
81.03415	27.4
81.07052	85.2
82.07399	4.5
83.04974	18.6
83.08613	14.7
85.02905	23.0
88.79581	4.3
88.80577	3.6
91.05480	51.3
92.20486	3.9
93.07040	54.2
95.04955	20.7
95.08602	42.0
97.02904	10.6
97.06500	8.2
97.10178	6.0
98.06076	9.2
99.04451	11.6
103.03919	5.9
104.06294	4.0
105.07021	44.3
107.04942	8.3
107.08578	31.2
109.02852	9.9
109.06508	10.7
109.10164	39.2
109.67044	4.0
111.04469	5.2
111.08041	4.5
115.05405	7.3
117.07023	22.8
119.08556	24.1
121.06470	5.1
121.10126	25.0
123.04458	5.9
123.08047	7.7
123.11720	10.0
127.03886	14.7
129.06989	16.7
131.08565	32.0
133.06464	4.6
133.10126	30.4
135.08038	4.6
135.11684	15.4
142.07796	5.5
143.08572	9.3
145.04932	4.9
145.10109	23.0
147.11711	18.5
149.13266	11.9
151.11176	13.3
157.10168	9.9
159.11684	16.9
161.09647	5.8
161.13286	9.7
163.14699	4.5
169.10071	7.8
171.11670	7.6
173.09631	5.8
173.13231	11.0
175.11159	9.9
181.10097	5.3
183.11638	9.3
185.09631	4.7
185.13293	5.2
187.14856	8.0
187.50551	4.3
193.12271	5.2
199.11247	4.7
211.13240	5.9
259.20401	4.6
273.22110	4.3
285.21799	4.7
306.27896	9.5
307.28238	100.0
315.23148	4.5
351.23074	6.2
362.29547	4.7
369.24008	14.7
387.25397	10.0
443.27710	7.8
461.29282	24.2
466.88049	4.5
479.30435	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.2
55.01856	6.1
55.05509	26.6
57.03435	13.9
57.07058	1.7
61.02916	2.8
65.03918	2.9
67.05500	74.6
69.03416	4.5
69.07063	23.1
71.04978	8.3
75.93796	1.6
79.05489	58.3
80.16999	2.0
81.03413	52.5
81.07052	100.0
82.07402	2.1
83.04984	15.6
83.08611	31.7
85.02899	28.3
85.06530	4.5
91.05478	54.6
93.07037	69.4
95.04961	32.3
95.08606	22.4
95.09193	3.3
97.02901	3.7
97.06503	10.8
97.10172	4.2
98.20807	4.7
99.04440	2.2
100.11705	1.8
105.07028	26.8
107.04954	4.6
107.08588	29.1
109.06516	7.7
109.10153	6.8
111.04418	2.8
111.08069	17.3
112.63352	1.9
113.05979	3.7
115.05487	2.7
116.06345	1.8
117.07000	11.6
119.08582	17.3
121.06480	4.6
121.10131	24.0
123.08044	3.9
123.11708	5.6
129.06973	11.9
131.08554	20.6
131.46355	1.7
133.06496	2.6
133.10100	20.0
135.08066	3.0
135.11668	9.8
137.09641	4.1
142.07767	2.7
144.69960	1.8
145.10062	2.6
147.08026	4.4
147.11693	15.3
149.09595	7.0
149.13234	22.5
157.10107	12.5
159.11679	10.5
165.12733	4.4
175.11197	15.5
176.21860	1.9
177.12785	5.6
193.10449	3.1
193.12227	47.7
195.13840	17.0
211.13287	48.2
217.15910	2.0
267.09033	5.1
267.15976	3.9
269.10651	3.8
269.17416	2.1
285.09985	10.2
324.11691	4.4
349.16910	2.3
367.17831	2.2
369.24020	2.6
387.25247	4.2
461.29230	2.3
479.30002	62.7
479.36926	3.2
480.30490	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.4
55.01873	4.9
55.05495	3.1
57.03421	1.8
61.02900	0.8
64.98115	0.8
65.03926	1.4
67.05492	5.5
69.03429	5.9
69.07062	1.9
70.13938	2.2
70.14345	1.6
71.04985	1.3
77.03923	1.1
78.89059	0.7
79.05067	1.3
79.05489	16.6
81.03419	7.3
81.06631	1.0
81.07054	8.1
83.04968	1.3
83.08621	1.2
85.02905	13.7
85.06546	1.2
87.04469	1.2
91.05479	17.6
92.05802	1.2
93.07040	20.3
95.04973	11.4
95.08592	3.0
97.02876	5.3
97.06531	1.9
97.10149	1.5
99.04441	1.3
105.04485	1.5
105.07029	12.4
107.04943	1.8
107.08593	24.5
109.02892	3.0
109.06513	3.0
109.10181	3.8
111.04449	1.3
111.08058	2.6
115.05426	1.3
117.07019	1.8
119.08578	6.1
121.06502	9.3
121.10139	2.6
123.04433	1.6
123.08034	1.4
123.11691	2.0
127.03909	4.5
128.04948	1.3
129.07027	1.1
130.06491	1.6
131.04930	1.2
131.08545	2.5
133.06490	1.3
133.09119	1.3
133.10133	24.5
135.08012	2.5
135.11699	19.5
136.12024	0.9
137.05969	3.1
137.09584	2.7
139.07536	9.7
142.06552	1.4
143.08537	1.3
145.02875	2.3
145.04912	1.3
145.06444	0.9
145.10155	1.7
147.08049	1.3
147.11693	1.1
149.05984	1.4
149.09613	1.0
149.13318	0.9
151.07529	0.9
151.11165	2.7
153.01805	1.7
158.06047	1.0
159.06781	0.7
159.08040	1.9
161.09610	18.2
163.07501	1.7
165.09091	0.9
167.07042	2.5
167.10655	1.1
173.09566	1.0
176.07079	10.9
177.05498	2.4
179.10666	39.6
181.04839	1.1
187.07487	1.2
187.11147	1.0
187.14790	0.8
195.10136	0.9
197.11728	100.0
198.12086	1.6
198.22589	0.8
204.06526	2.3
206.10974	0.7
219.10260	0.8
227.56261	0.8
228.17390	0.8
265.10785	2.3
271.14444	7.2
303.04932	2.5
317.14935	11.4
369.23550	1.2
387.24530	1.0
479.22394	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.01867	3.0
55.05492	1.6
57.03424	1.0
59.04986	0.9
65.03925	1.5
67.05504	3.8
69.03427	5.0
69.07046	2.0
70.38502	0.7
71.04974	2.2
71.21930	0.6
77.03879	0.9
79.05496	17.2
81.03418	6.9
81.07047	5.8
83.04966	1.4
83.08638	1.3
85.02907	8.5
85.06542	1.4
86.03200	0.6
87.04476	0.7
91.04884	1.0
91.05478	18.4
93.06478	1.3
93.07042	19.5
95.04971	9.9
95.08589	2.8
97.02901	3.8
97.06516	1.2
99.04420	1.3
103.05473	1.2
105.04492	1.0
105.07033	12.2
106.44638	0.7
107.04926	2.7
107.08591	23.3
109.02869	3.6
109.06504	4.8
109.10176	3.8
111.04435	1.3
111.08083	2.0
115.03924	0.7
115.05389	0.7
117.06998	2.0
119.04946	1.7
119.08565	6.2
121.06492	8.8
121.10148	2.9
123.04417	1.8
123.08053	1.7
123.11721	1.5
123.95433	0.6
125.02355	3.0
125.05981	0.8
127.03897	4.5
128.06238	0.7
129.06989	1.1
131.04933	1.1
131.08522	3.0
133.06569	1.3
133.10130	28.7
135.04359	0.7
135.08047	2.9
135.11685	22.7
137.05988	3.3
137.09627	3.4
139.07542	9.1
141.75940	0.6
143.08588	1.5
145.04950	1.3
145.06461	1.4
145.10130	1.1
147.08040	1.5
147.11699	1.4
149.05992	1.7
149.09601	2.5
149.13220	0.7
151.07564	2.4
151.11159	2.7
153.01811	1.1
155.08592	1.0
157.10136	0.8
159.08018	1.9
161.05946	1.2
161.09608	22.4
162.09976	0.7
163.07535	1.5
163.11127	1.1
165.09164	0.8
169.10092	0.8
173.06107	0.6
173.09625	1.2
175.07588	3.0
177.05522	1.2
177.09059	1.5
179.07173	1.1
179.10669	43.7
180.11090	1.0
183.11760	0.7
185.06082	0.6
185.13298	0.7
187.07565	1.1
189.09190	1.0
191.07004	0.7
193.12135	0.6
195.10262	0.7
197.11731	100.0
198.12088	1.5
201.09178	1.0
205.08595	1.1
217.08672	0.8
229.08662	0.8
238.34941	0.6
247.09511	1.4
265.10791	2.8
281.18811	1.0
283.11465	1.3
299.12744	0.7
299.16403	1.9
299.20172	1.8
317.17471	2.1
317.21121	0.9
323.15079	0.8
479.17535	1.3
479.23367	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.05501	1.2
67.05482	2.1
69.03420	2.6
71.04995	1.7
71.57421	2.0
79.05482	3.2
80.15096	0.9
80.37217	1.1
81.03391	2.9
81.07050	3.8
85.02897	2.8
91.05485	4.9
93.07047	5.0
95.04958	2.5
95.08616	2.1
97.02852	1.1
97.06511	1.3
99.04449	3.5
103.05458	1.7
104.21207	1.2
105.07011	2.5
107.08627	1.8
109.02869	1.9
109.06497	1.9
115.05474	1.1
117.07008	1.5
119.04941	1.7
119.08595	1.4
121.02834	1.0
121.06490	2.4
121.10141	1.7
122.03629	1.9
123.04431	1.0
125.09529	0.9
127.03889	1.1
128.06207	1.1
129.07007	1.1
131.04900	2.4
135.08063	2.4
137.05959	15.9
139.07527	1.6
145.06487	1.3
147.04393	1.3
151.07542	8.6
153.01819	2.7
157.06464	1.1
159.07997	1.2
161.05936	5.2
161.09625	1.2
163.07498	2.0
165.09094	1.4
167.07091	1.9
175.07494	2.1
177.09120	1.6
179.06786	26.3
179.08328	1.8
187.07544	1.0
189.09096	3.1
195.08331	1.2
195.10197	4.9
205.08649	1.2
207.10014	1.3
209.61989	0.9
211.07719	1.4
225.09180	1.3
253.08931	1.4
265.08658	1.5
283.09515	1.1
285.11130	2.1
297.11374	1.4
299.05533	3.5
299.12766	1.5
303.04895	6.0
311.12778	1.7
317.13922	2.0
323.10992	100.0
324.11188	1.1
479.18893	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.19
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14629	0.5
53.03938	1.1
55.01883	2.5
55.05508	7.4
56.05815	0.4
57.03430	2.0
57.20622	0.6
59.05002	0.8
63.01198	0.4
63.16593	0.5
67.05499	12.9
69.03416	1.4
69.07068	3.7
70.79183	0.8
71.04986	1.6
78.94604	0.5
79.05487	9.9
79.05914	0.9
80.05824	0.8
81.03417	4.3
81.06579	1.1
81.07050	17.7
82.07383	0.5
83.04990	2.4
83.08609	4.1
84.08939	0.6
85.02904	2.2
85.06553	1.4
91.05471	9.7
92.05815	0.7
93.07045	9.3
95.04965	4.7
95.08592	5.0
97.06535	1.9
97.10165	3.6
99.08131	0.7
105.04494	0.6
105.07030	6.2
105.12194	0.5
106.07392	1.1
107.04966	3.6
107.08582	5.5
108.05274	0.6
108.08938	0.8
109.02881	0.6
109.06502	5.3
109.10165	2.6
110.10490	0.8
111.08096	1.5
113.05789	0.5
115.05474	0.6
117.07010	2.2
119.08580	4.4
121.06506	2.5
121.10137	3.7
123.08083	1.4
123.11696	2.4
125.09631	1.8
126.09943	0.6
129.06990	1.9
131.08546	3.7
133.06491	1.6
133.10088	3.8
135.08049	1.4
135.11691	1.2
137.05986	0.9
137.09654	0.7
139.07561	0.6
143.08537	1.1
145.06505	1.1
145.10132	2.0
147.08064	0.9
147.11665	3.6
149.02393	1.0
149.05977	0.6
149.09613	1.6
149.13261	2.2
151.11211	0.7
155.08511	0.9
157.10101	1.8
159.11732	2.1
161.09584	0.8
161.13397	0.6
163.11124	0.6
165.09177	1.3
165.12766	1.7
173.13203	0.6
175.11153	1.4
183.11732	0.7
187.07576	0.6
187.11224	0.6
187.13319	0.9
189.11252	1.1
191.14308	1.2
193.12231	3.3
203.05348	0.8
211.13205	3.0
219.13843	2.3
223.10799	0.5
233.15407	0.7
243.15884	1.1
245.07837	1.0
245.14119	0.5
261.07281	1.4
267.15924	0.8
269.17065	0.6
275.10965	3.8
293.17532	1.7
299.12637	2.2
317.13568	2.0
321.67688	0.5
323.23578	0.6
335.95786	0.6
341.24561	0.9
350.22119	0.5
351.22830	1.7
359.25534	1.2
368.23260	0.7
369.23755	4.3
382.35599	0.6
386.24051	1.6
387.24612	4.9
405.25940	1.8
423.12732	0.7
461.28476	5.0
479.18863	100.0
479.28979	8.0
480.19162	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31296	0.4
51.89126	0.5
53.03935	1.4
55.01864	1.6
55.05506	7.7
57.03435	2.9
57.63105	0.4
59.04996	0.7
65.03923	1.2
67.05502	16.4
69.03428	1.4
69.07063	5.0
69.64443	3.1
71.01350	0.6
71.04990	3.1
79.05489	14.1
80.05827	0.7
80.32344	0.5
81.03410	7.4
81.07053	26.6
82.07400	0.8
83.04971	4.0
83.08618	5.8
85.02909	3.1
85.06544	2.1
91.05476	12.4
91.06018	0.9
92.05770	0.5
93.07034	11.0
93.85252	0.5
94.07325	0.5
95.04958	6.5
95.08611	6.8
96.08956	0.5
97.06512	3.2
97.10170	2.7
99.04457	0.5
105.07021	7.4
106.07257	0.5
107.04948	4.6
107.08582	7.7
109.06514	8.4
109.10137	3.3
111.04436	1.0
111.08078	2.5
113.05980	0.5
117.07028	2.9
119.04924	0.5
119.08579	5.7
121.06522	2.7
121.10141	4.1
123.04458	0.7
123.08046	1.6
123.11701	2.6
125.09618	2.3
127.07543	0.5
128.06187	0.6
129.07011	2.3
131.08554	4.4
133.06480	1.9
133.10114	4.5
135.08052	2.9
135.11693	2.3
137.05963	1.3
137.09618	1.1
139.11160	0.5
141.06949	0.7
141.09137	0.5
143.08531	1.1
145.06508	1.5
145.10117	2.6
147.08070	1.5
147.11681	4.6
149.06039	0.6
149.09644	1.4
149.13249	3.2
151.03949	0.7
151.11154	1.4
153.01891	0.8
155.08569	0.7
157.10078	2.6
159.08063	0.7
159.11717	1.4
161.09633	1.1
163.11203	1.8
165.09096	3.6
165.12755	1.6
171.11713	0.8
173.09630	0.7
173.13246	1.1
175.11191	1.9
177.12721	0.9
185.13339	0.7
187.07553	0.8
187.13347	1.1
189.11206	0.5
191.14320	1.7
193.12257	5.1
195.13802	1.4
203.14369	0.7
211.13271	4.8
215.14590	0.6
219.13757	3.6
237.14867	0.7
243.13770	0.6
243.15855	3.0
245.07840	1.4
247.17409	0.5
257.09869	1.1
267.15948	1.2
275.11081	1.2
293.17523	2.2
317.13675	1.1
341.24649	1.0
351.22968	1.2
359.25803	0.8
369.24109	2.8
387.25159	3.0
405.25998	1.1
423.12732	0.9
461.28757	4.3
479.18881	100.0
479.29196	9.0
480.19241	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	479.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31296	0.4
51.89126	0.5
53.03935	1.4
55.01864	1.6
55.05506	7.7
57.03435	2.9
57.63105	0.4
59.04996	0.7
65.03923	1.2
67.05502	16.4
69.03428	1.4
69.07063	5.0
69.64443	3.1
71.01350	0.6
71.04990	3.1
79.05489	14.1
80.05827	0.7
80.32344	0.5
81.03410	7.4
81.07053	26.6
82.07400	0.8
83.04971	4.0
83.08618	5.8
85.02909	3.1
85.06544	2.1
91.05476	12.4
91.06018	0.9
92.05770	0.5
93.07034	11.0
93.85252	0.5
94.07325	0.5
95.04958	6.5
95.08611	6.8
96.08956	0.5
97.06512	3.2
97.10170	2.7
99.04457	0.5
105.07021	7.4
106.07257	0.5
107.04948	4.6
107.08582	7.7
109.06514	8.4
109.10137	3.3
111.04436	1.0
111.08078	2.5
113.05980	0.5
117.07028	2.9
119.04924	0.5
119.08579	5.7
121.06522	2.7
121.10141	4.1
123.04458	0.7
123.08046	1.6
123.11701	2.6
125.09618	2.3
127.07543	0.5
128.06187	0.6
129.07011	2.3
131.08554	4.4
133.06480	1.9
133.10114	4.5
135.08052	2.9
135.11693	2.3
137.05963	1.3
137.09618	1.1
139.11160	0.5
141.06949	0.7
141.09137	0.5
143.08531	1.1
145.06508	1.5
145.10117	2.6
147.08070	1.5
147.11681	4.6
149.06039	0.6
149.09644	1.4
149.13249	3.2
151.03949	0.7
151.11154	1.4
153.01891	0.8
155.08569	0.7
157.10078	2.6
159.08063	0.7
159.11717	1.4
161.09633	1.1
163.11203	1.8
165.09096	3.6
165.12755	1.6
171.11713	0.8
173.09630	0.7
173.13246	1.1
175.11191	1.9
177.12721	0.9
185.13339	0.7
187.07553	0.8
187.13347	1.1
189.11206	0.5
191.14320	1.7
193.12257	5.1
195.13802	1.4
203.14369	0.7
211.13271	4.8
215.14590	0.6
219.13757	3.6
237.14867	0.7
243.13770	0.6
243.15855	3.0
245.07840	1.4
247.17409	0.5
257.09869	1.1
267.15948	1.2
275.11081	1.2
293.17523	2.2
317.13675	1.1
341.24649	1.0
351.22968	1.2
359.25803	0.8
369.24109	2.8
387.25159	3.0
405.25998	1.1
423.12732	0.9
461.28757	4.3
479.18881	100.0
479.29196	9.0
480.19241	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	479.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01868	2.7
55.05509	2.6
57.03422	2.3
59.04994	1.2
60.69190	1.1
61.47130	1.1
63.43779	1.1
65.03928	1.3
66.41527	1.2
67.05522	2.9
69.03430	5.7
69.07076	2.5
71.04989	7.6
71.57707	2.1
73.02933	12.2
79.05502	4.0
81.03431	4.0
81.07059	7.2
83.04996	1.6
83.08617	1.3
85.02907	43.2
85.06566	2.3
87.04474	2.1
87.95188	1.1
89.06008	1.6
91.05481	6.2
93.07040	8.4
95.04978	5.4
95.08607	6.5
97.02890	2.4
97.06540	2.5
97.10153	1.7
99.04460	5.4
105.07045	7.9
106.07370	2.3
107.04951	2.3
107.08602	5.6
109.02892	1.4
109.06528	3.7
109.10165	5.7
111.08077	2.4
111.91626	1.1
113.06060	1.6
115.05441	1.4
117.07018	2.4
119.04900	2.6
119.08591	5.2
120.08121	1.8
121.02835	2.4
121.06493	2.9
121.08405	1.2
121.10148	4.5
123.04475	2.8
123.08056	5.3
125.05982	1.7
125.09710	1.9
127.03960	3.6
127.07574	2.6
130.28957	1.2
131.08583	3.3
133.02888	1.6
133.06549	1.4
133.10109	2.4
135.08069	1.9
135.11699	1.5
137.02339	3.5
137.05975	12.0
137.09633	4.1
141.05423	2.0
141.93695	1.1
143.08594	1.8
145.04968	3.1
145.10144	3.4
147.04427	2.2
147.08052	2.0
147.11685	1.8
149.09659	2.2
151.03947	2.1
151.07532	4.4
153.01849	8.4
155.04933	1.4
156.59711	1.3
157.10139	2.1
159.08043	1.8
159.11710	1.8
161.06000	4.6
161.09608	2.1
161.13260	1.7
163.11223	1.4
165.05559	1.9
165.09109	2.2
167.07086	1.5
169.10217	1.4
171.11700	1.8
173.06009	1.8
175.11244	1.3
177.05472	2.0
189.09167	1.9
201.05403	1.5
203.14366	1.4
205.12291	1.3
207.09959	2.1
211.07446	1.4
221.15378	1.6
229.05005	4.7
240.07936	1.5
245.15373	1.8
257.04498	2.3
264.16711	1.6
299.05481	4.8
299.19962	1.5
303.04999	100.0
304.05380	1.9
317.21225	2.2
323.09885	1.7
433.84048	1.4
449.15988	1.5
461.15759	5.9
479.19089	7.1
479.25812	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	13.6
67.05493	19.8
69.03407	8.3
69.71195	15.3
69.71607	13.3
78.92164	5.2
79.05486	26.2
81.03407	8.4
81.07045	20.5
83.04963	13.6
84.17636	4.1
91.05466	27.1
93.07030	19.3
95.04957	10.9
95.08591	5.9
103.05454	12.9
105.03388	4.6
105.07030	30.6
107.04939	10.9
107.08605	8.6
109.02870	5.7
109.06514	8.4
115.05475	4.9
119.08540	4.9
121.06502	11.7
121.10155	6.9
131.04936	9.4
131.08553	6.5
133.06496	25.4
133.10146	5.3
135.08018	5.6
139.03909	5.0
140.27496	4.1
147.04387	10.9
149.05925	10.9
151.07506	7.0
153.01799	20.8
155.08568	6.3
159.04501	7.8
161.05963	30.5
163.03816	5.7
163.07483	9.3
165.01892	6.3
165.06998	8.9
165.09103	6.8
167.03410	6.1
167.08556	10.2
177.05482	9.1
177.06882	4.7
179.07053	5.1
181.01355	21.0
183.02907	5.3
183.08092	4.1
189.05400	12.3
191.03362	8.3
193.01289	15.7
193.06581	6.8
195.08031	14.1
196.73566	5.1
197.05975	4.8
201.05234	6.2
205.04872	8.5
205.06583	7.2
207.08122	5.4
209.00833	17.1
211.02347	11.1
211.07518	12.7
217.01393	5.7
219.02936	5.1
221.05934	23.8
223.02341	14.4
223.07556	22.0
225.03778	5.2
229.05026	8.3
231.02887	4.6
233.06026	7.6
235.02350	17.1
235.07443	8.2
239.07112	22.6
239.09236	4.7
241.08513	7.1
249.00339	10.9
249.05640	12.2
250.06320	5.5
251.07027	20.4
257.04462	17.1
257.08167	7.2
263.01782	12.0
267.06534	38.9
269.08151	22.4
277.05005	7.2
279.06461	25.4
283.02338	10.4
285.07504	5.3
291.01553	7.2
295.05981	58.0
297.07492	33.0
305.04474	6.0
307.06052	19.7
313.07083	35.4
323.05484	100.0
325.07040	39.5
327.08649	8.2
341.06598	65.1
343.07855	6.3
351.04953	81.6
353.06439	5.3
355.08081	19.0
357.09708	10.0
359.07288	7.8
369.06085	60.6
373.09052	11.6
379.04248	7.7
383.07669	29.4
387.06992	13.5
387.24881	5.3
397.05530	10.2
401.08539	11.1
411.07278	7.3
415.06268	7.9
461.28787	6.2
478.28931	5.3
479.30026	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	479.1183
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
53.03926	1.7
55.01881	2.7
55.05508	0.7
57.03419	2.3
61.02910	1.9
61.59813	0.5
65.03925	0.7
65.13142	0.5
67.05500	1.0
69.03427	4.8
70.06588	1.4
70.84785	1.7
71.01357	0.6
71.04971	0.9
73.02898	1.9
79.05492	2.7
81.03417	4.7
81.07041	1.2
83.58051	0.5
85.02435	1.0
85.02906	15.1
86.75552	0.5
87.04473	0.8
91.05477	4.6
92.02628	0.6
93.03412	1.5
93.07039	4.0
93.75971	0.5
95.04950	1.9
95.08594	1.1
97.02892	5.2
99.04436	2.0
103.05451	2.1
104.95429	0.6
105.06993	0.7
107.04957	1.0
107.08579	0.5
109.02878	2.6
109.06506	0.9
111.04460	0.5
111.08089	0.8
115.03885	0.7
115.05412	0.9
117.07001	0.8
119.04944	2.4
119.08582	0.7
121.02831	1.1
121.06494	1.9
122.03619	0.7
124.03939	1.4
127.03893	4.2
131.04939	4.0
133.02827	0.7
133.10176	0.7
137.05975	9.7
139.03836	1.2
139.07533	1.5
143.04942	0.9
145.04932	2.2
145.06432	0.7
147.04417	2.7
149.05956	1.2
151.03864	1.5
151.07539	1.6
153.01826	8.6
157.06558	0.6
161.05946	1.3
163.07536	2.4
165.01830	0.8
165.07059	0.7
167.07066	1.8
169.06581	0.6
169.94093	0.6
171.04338	0.7
173.05998	1.0
175.07550	1.9
177.05478	2.2
179.07042	2.2
185.09724	0.6
187.07544	1.2
189.05486	0.7
191.07011	1.6
193.08553	0.6
197.09648	0.5
199.07712	0.6
201.05443	1.0
203.03273	0.9
203.07013	0.7
205.08665	0.5
207.06586	0.8
215.07071	1.6
217.05022	1.3
218.05641	0.6
228.04016	1.6
229.04930	4.1
231.02861	0.6
245.04367	2.0
246.05344	1.5
257.04428	2.6
271.13223	0.6
273.03903	2.3
274.04697	5.4
285.03876	4.5
299.12766	0.8
302.04199	15.1
317.06552	100.0
318.06934	1.8
367.86307	0.5
448.51996	0.6
457.50803	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.3
55.01862	11.5
55.05510	42.2
56.05832	5.4
56.92464	3.5
57.03423	11.1
59.05020	4.2
65.03941	6.1
67.05505	46.7
67.90255	2.9
68.05833	5.6
69.03418	13.7
69.07062	17.4
71.04986	10.9
71.57973	4.0
73.06559	3.6
77.03926	3.6
79.01884	5.2
79.05018	3.3
79.05484	67.2
80.05838	4.9
81.03415	22.9
81.07053	71.7
82.03734	5.1
82.07388	6.0
83.05006	19.9
83.08623	16.7
85.02905	8.7
85.06532	4.5
91.05475	56.8
92.05801	5.9
93.03415	3.2
93.07043	51.9
94.07370	6.7
95.04970	32.5
95.08609	28.1
97.02886	5.4
97.06518	12.9
97.10158	18.9
98.10494	5.5
103.05461	11.1
104.06276	6.3
105.03397	5.3
105.07029	59.0
106.07365	4.7
107.04951	26.6
107.08582	28.3
108.08934	6.5
109.02888	5.4
109.06502	24.3
109.10140	16.0
111.04456	5.7
111.08086	10.8
113.05995	3.6
113.29230	3.3
115.05460	9.0
117.07028	11.9
119.04934	10.2
119.08559	24.3
121.02936	3.3
121.06474	24.9
121.10148	15.5
123.04438	4.4
123.08045	7.1
123.11734	7.4
125.02344	8.8
125.06021	5.2
125.09628	12.9
126.09957	4.9
126.45924	3.9
127.03873	4.5
129.07014	12.9
131.04944	9.7
131.08565	15.2
132.05673	5.8
133.06482	33.1
133.10107	15.6
135.04382	3.6
135.08044	15.7
135.11688	5.7
136.08411	3.8
137.02347	12.2
137.05969	8.0
137.09637	9.2
139.03914	4.2
141.07019	6.9
143.08522	6.1
145.02879	3.5
145.06425	11.3
145.10078	7.7
147.00797	4.6
147.04395	7.6
147.08008	6.3
147.11676	15.1
149.06001	11.1
149.09637	5.8
149.13255	4.5
151.07523	9.2
151.11174	8.1
152.06152	4.3
153.01825	20.7
153.07008	4.2
153.09120	5.2
155.08586	9.3
156.08905	3.8
157.10071	7.5
159.04390	3.7
159.08087	4.3
159.11681	6.2
161.05960	29.4
161.09650	4.2
163.03935	6.9
163.07553	5.2
163.11176	5.6
165.01831	18.5
165.06981	13.2
165.09183	24.7
165.12785	4.5
167.03482	6.5
167.08575	7.2
169.06549	5.2
169.10184	5.5
171.04350	4.2
171.08131	4.6
173.09627	5.7
175.00255	5.1
175.03899	4.6
175.11189	3.9
175.33746	3.3
177.01823	31.2
177.05519	9.0
177.07005	5.7
178.07780	4.4
179.07039	8.0
179.08557	7.1
181.01328	49.3
181.06506	8.9
181.08582	4.8
183.04462	5.1
183.08067	6.5
183.11607	3.2
185.09619	3.5
185.13338	4.4
187.03926	6.2
187.07610	4.3
189.05515	8.0
189.08833	3.1
189.11201	8.9
191.03444	8.9
191.07021	6.3
193.01328	13.1
193.06516	9.3
193.08585	10.8
193.12311	9.1
194.07372	4.0
195.08066	22.6
197.00766	4.6
197.06032	8.5
202.99718	31.4
205.01341	12.5
205.04848	5.8
205.06499	15.5
205.08125	3.7
207.06406	6.4
207.08185	5.7
209.00792	18.6
211.02393	5.2
211.07573	13.6
211.13159	6.9
213.05405	3.9
215.03310	4.0
217.01373	8.9
219.02893	6.9
219.06529	4.6
219.13707	4.3
221.00829	22.8
221.06013	25.0
221.07881	4.7
223.02444	18.3
223.07529	22.1
225.05478	7.0
229.04994	10.9
230.99329	12.0
231.02864	5.3
233.05963	11.9
233.15355	6.7
235.02368	27.8
235.07600	13.0
239.07001	25.1
241.08623	10.6
242.02048	4.8
243.02705	4.6
243.06407	5.3
244.03418	3.8
245.00836	8.9
245.04410	4.1
247.02435	5.8
249.00276	93.9
249.05788	25.3
251.07030	21.8
254.05638	4.8
255.02919	7.8
256.03964	4.0
257.04489	29.2
257.08047	5.2
263.01865	24.7
267.06528	48.7
268.07315	6.5
269.08051	37.2
271.02393	7.1
271.05923	11.5
271.09448	5.1
274.15158	5.5
277.04816	11.1
279.06509	19.0
281.08163	5.8
283.02396	20.7
283.05936	7.9
285.04099	6.6
285.07535	8.5
291.01257	24.4
293.17731	6.0
295.02600	2.7
295.05978	84.4
296.06439	4.2
297.07574	69.0
299.05530	6.0
299.09006	6.8
303.05014	8.6
305.03198	10.8
307.06003	10.2
313.07047	59.5
313.10687	15.3
315.04947	15.6
315.08450	6.8
323.01691	5.1
323.05478	100.0
324.06387	3.6
325.07007	55.6
327.08618	16.3
329.10175	5.2
339.08514	5.3
341.06506	85.7
343.08121	10.7
351.05020	58.5
351.22668	4.1
355.08206	29.2
357.09543	19.3
359.07742	11.1
368.22992	15.4
369.06055	81.5
369.23618	8.4
373.09058	13.3
379.04541	6.6
383.07709	36.2
386.24030	14.5
387.07059	15.1
387.24423	22.2
397.05493	13.8
401.08493	25.0
404.25052	5.8
405.25607	6.7
411.07062	5.0
415.06604	10.9
443.28033	4.8
460.27658	15.0
461.28455	23.6
478.28799	11.0
479.29056	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49029	0.8
53.03930	3.4
53.34549	0.6
55.01857	1.1
56.91561	0.6
57.03434	4.4
62.31210	0.7
67.78448	0.7
69.03425	10.9
70.65672	0.7
70.69793	0.6
71.04994	4.3
71.56394	1.0
78.21262	0.8
81.03407	8.9
85.02903	11.5
86.68131	0.7
87.04449	2.1
91.05483	0.8
97.02888	4.5
99.04431	5.5
103.05432	1.3
109.02859	3.3
113.05993	2.0
127.03888	6.0
131.04916	1.4
141.05460	3.5
145.02824	1.6
147.04401	1.3
153.01787	4.2
157.02887	0.9
159.06572	1.4
163.03941	2.2
171.04428	1.0
173.02383	2.5
175.03874	2.1
185.02280	0.8
187.03897	5.8
191.03383	4.3
199.03893	1.7
201.01799	6.2
202.02559	1.0
203.03345	3.4
207.02890	0.9
213.01857	2.9
213.05415	1.7
215.03358	5.8
217.05135	1.0
219.02876	2.6
227.03323	1.3
229.01306	7.5
231.02855	16.6
232.03305	1.0
241.01328	2.8
241.04845	2.1
243.02863	1.8
244.03596	2.0
245.04497	1.6
247.02356	11.4
247.04750	1.0
253.04890	1.2
255.02934	1.4
257.00787	4.8
259.02380	32.0
260.02905	1.1
261.04031	2.2
269.04471	2.2
271.02234	1.2
273.03973	2.3
275.01843	14.3
275.04648	1.3
276.02606	16.2
277.03415	78.0
278.03815	3.5
283.02643	1.5
285.00223	2.4
287.05511	3.4
289.03433	7.5
291.04956	7.4
297.03922	2.3
299.01685	1.0
301.03391	3.2
302.00476	1.2
303.01334	100.0
304.01736	3.3
305.06512	1.6
315.04965	1.6
316.99512	1.1
317.02914	6.8
321.02347	8.5
325.03342	1.3
335.03995	2.8
343.04367	2.8
345.02191	5.3
363.03540	1.4
377.04999	3.5
387.03329	0.8
447.05316	0.9
479.08151	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	479.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
53.08054	0.8
55.01830	1.2
57.03431	5.3
69.03425	8.7
69.70999	4.7
71.04987	2.1
73.58862	0.9
81.03414	9.8
83.01327	0.8
85.02908	8.5
87.04433	1.1
97.02911	4.5
98.21444	0.9
99.04443	4.3
109.02878	3.6
113.06020	2.5
117.19411	0.8
119.04893	1.2
127.03915	3.5
127.46101	0.8
141.05453	4.8
145.02773	1.1
147.04366	1.7
153.01752	1.9
157.02905	1.9
163.04007	1.1
171.04411	1.5
173.02338	3.5
175.03922	2.5
187.03891	5.7
191.03398	3.4
199.03978	1.3
201.01857	4.7
202.02592	1.3
203.03412	3.5
213.01828	3.2
215.03319	4.8
219.02917	3.2
229.01312	5.3
231.02875	25.7
235.02415	1.5
241.01289	4.0
243.02867	1.4
245.04314	1.0
247.02354	8.2
257.00800	4.4
258.01462	1.6
259.02374	38.7
261.04016	2.0
269.04556	1.2
272.03214	1.2
273.03934	2.8
275.01895	11.9
276.02628	23.3
277.03421	94.1
278.03867	1.0
285.00369	2.4
287.05383	1.6
289.03418	5.6
291.04932	7.0
297.03754	1.1
299.01672	1.1
301.03430	3.9
302.00714	1.3
303.01343	100.0
304.01718	4.0
307.70395	0.9
317.02905	5.6
321.02386	7.3
333.05917	2.0
335.03836	2.3
345.02411	2.8
377.04816	2.6
391.60971	1.0
434.27469	1.1
479.08234	27.4
480.08334	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55343	1.9
53.03950	2.8
55.01859	3.2
55.05271	2.2
55.05513	27.5
57.03445	9.6
57.03682	1.8
57.07069	3.7
67.05504	48.4
69.07068	28.9
69.99418	4.2
69.99830	7.1
79.05489	18.0
81.03439	2.4
81.07055	48.2
83.04987	4.1
83.08608	11.1
85.06526	2.6
91.05466	10.9
93.07042	16.7
95.04969	4.4
95.08604	34.9
97.06507	2.3
97.10150	5.2
98.06047	10.8
98.20756	2.4
98.98454	3.9
105.07036	7.2
107.08611	10.1
109.06499	3.2
109.10117	10.0
119.08554	5.9
121.10163	5.7
123.08090	1.9
123.11712	4.3
131.08578	2.3
133.10109	5.3
135.11661	4.2
147.11678	2.7
149.13231	3.1
193.43213	1.9
200.20107	2.8
306.27905	88.7
307.28439	3.9
337.27353	100.0
338.27869	3.2
340.91812	2.3
478.28763	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	478.2928
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
50.54106	2.9
55.01863	2.6
55.05522	11.7
55.91861	2.6
57.03434	5.1
57.07054	2.6
61.36054	2.3
61.51983	2.3
62.06091	31.8
67.05502	30.3
69.07072	15.5
70.83382	8.1
79.05488	14.9
79.32648	2.3
81.07066	31.2
83.08619	8.6
91.05492	6.9
93.07055	6.2
95.08604	23.7
97.10197	5.1
98.98472	7.1
99.43208	2.3
105.07080	6.0
107.08614	8.0
109.10159	12.8
119.08532	3.2
121.10087	5.3
122.56997	2.6
123.11676	4.9
133.10146	3.9
135.11655	3.0
136.16586	2.3
137.13153	2.6
149.13231	3.5
155.01015	7.1
161.13284	3.1
182.46027	2.6
216.06308	4.0
263.23645	7.9
304.59439	2.7
306.27954	14.7
337.27396	100.0
338.27661	7.2
442.10498	2.9
478.29346	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	478.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
57.03442	1.9
69.03433	5.8
71.24773	2.4
72.55591	1.2
75.32713	1.1
79.01835	1.9
81.03413	10.7
81.07048	1.5
85.02903	4.2
91.05490	1.5
97.02885	7.4
99.04465	1.3
106.56371	1.3
107.01270	1.7
108.82166	1.1
109.02883	7.4
111.04407	1.8
121.20808	1.3
125.02366	4.1
127.03897	9.9
143.03398	5.9
153.01825	100.0
154.02177	2.1
154.08624	2.0
171.02910	15.3
174.09158	1.6
177.30409	1.2
217.01584	1.4
220.09686	1.5
235.02505	2.2
253.03482	1.5
297.06088	11.4
315.07059	18.0
478.19073	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	477.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	8.0
55.05510	79.6
57.03433	10.7
57.07049	3.7
65.03946	3.8
67.05502	90.7
69.03429	5.4
69.07068	39.4
70.00547	12.4
70.00958	6.8
71.04998	5.7
73.02919	21.3
74.17694	3.1
76.94310	3.9
79.05493	79.5
81.03431	5.2
81.07051	89.9
83.04976	8.5
83.08619	34.4
85.06533	5.7
89.06770	3.3
91.05473	45.1
93.07035	57.1
94.65730	4.2
95.04978	12.5
95.08599	100.0
97.06531	14.8
97.10159	37.6
100.19718	3.1
102.21391	3.8
103.05425	4.6
105.07039	36.7
107.08599	62.9
109.03010	3.6
109.06499	6.6
109.10154	31.2
111.08110	8.1
117.07037	9.2
119.04933	7.5
119.08584	27.2
121.10141	27.3
123.08025	5.5
123.11706	15.9
125.09621	30.8
129.07001	3.8
131.08583	21.5
133.10132	30.1
135.11684	28.8
137.13280	6.2
143.08527	4.7
145.10133	19.4
147.04402	20.5
147.11673	17.2
148.04733	12.4
149.04881	6.5
149.09618	5.5
149.13235	12.0
157.10106	7.5
159.10217	8.0
159.11682	15.1
159.70451	4.6
161.13264	9.9
163.11206	5.1
163.14822	5.3
171.11684	6.3
173.13301	11.0
175.14789	5.9
187.14868	7.5
197.13434	4.2
199.13235	10.1
243.21063	4.5
249.12698	5.8
261.22208	12.6
321.48273	3.9
327.35748	3.3
385.30948	11.0
403.32236	5.1
405.22134	15.4
441.33633	6.0
459.35019	19.8
477.29184	7.9
477.35767	74.7
478.36221	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	477.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.3
54.16132	1.7
55.01877	15.5
55.05515	35.3
57.02118	1.6
57.03432	10.4
57.07075	2.3
59.05005	4.5
61.72160	1.9
65.03933	3.0
67.05506	81.5
69.03432	2.6
69.07070	25.2
69.50008	3.1
69.50419	13.3
71.01359	2.5
71.04994	10.0
73.02895	2.6
75.47792	2.0
79.05495	61.7
79.05965	3.0
81.03421	15.1
81.07055	100.0
83.01352	9.7
83.04980	25.6
83.08614	27.6
85.02895	4.8
85.06540	5.8
91.05479	42.3
93.07042	80.6
95.04975	17.6
95.08603	35.0
97.02893	3.7
97.06520	17.4
97.10182	4.1
99.04455	3.5
99.08059	2.8
105.07027	22.6
107.04963	11.9
107.08591	48.8
109.06516	5.9
109.10163	8.8
111.04466	5.2
111.08089	8.1
115.05483	2.9
117.07029	17.6
119.08598	14.7
121.06517	5.6
121.10143	28.9
123.04423	1.8
123.08064	8.5
123.11735	4.2
125.09630	5.2
129.07018	3.9
130.07838	2.9
130.91864	1.9
131.08595	13.3
131.09479	2.6
133.10143	13.1
135.08066	5.6
135.11690	23.4
137.09622	3.9
145.10094	15.9
147.08067	2.6
147.11699	4.1
149.09601	2.5
149.13274	36.0
151.11229	2.8
153.12737	7.5
154.74046	2.1
159.11670	11.0
163.11176	35.0
173.09671	5.1
177.12787	8.4
181.12267	6.8
191.10651	3.7
195.13800	14.2
209.11768	9.5
227.12831	9.2
272.40414	2.3
276.15683	1.8
281.35562	2.3
299.00906	2.1
330.86172	2.0
346.24670	2.1
385.23734	3.4
441.26907	2.2
459.27515	4.6
477.28479	66.5
478.28671	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	477.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03740	2.7
53.03968	7.4
55.01863	7.6
55.05507	73.9
57.03424	8.3
57.07071	4.4
59.04990	2.7
65.03926	6.5
67.05502	85.7
69.03417	4.1
69.06728	3.3
69.07069	33.3
69.51272	19.8
71.04985	3.7
71.08627	4.0
79.05486	85.7
81.03417	4.7
81.07050	91.7
82.49251	2.8
83.04970	9.0
83.08606	30.2
85.06528	3.8
91.05470	36.7
93.07039	63.1
95.04968	11.0
95.08601	100.0
97.06512	6.4
97.10153	40.3
99.08068	2.6
105.07033	26.3
107.04967	2.9
107.08589	47.4
109.06470	3.7
109.10149	35.4
111.08070	4.2
117.06995	10.9
119.08575	21.0
121.10142	30.6
123.08064	3.4
123.11725	14.5
125.09617	33.8
129.07011	6.6
131.08578	16.4
133.10123	20.8
135.08064	3.6
135.11693	25.1
137.09579	2.5
137.13185	4.7
143.08496	6.2
143.10663	8.4
145.10130	12.5
147.07915	3.0
147.11710	12.9
149.09589	3.2
149.13246	14.7
153.12799	4.2
157.10158	3.0
159.10265	5.8
159.11668	12.0
160.30811	2.2
161.13213	7.6
163.07474	2.9
163.11154	4.2
163.14812	6.2
165.12759	2.4
169.10078	2.7
170.57040	2.4
171.11659	4.4
173.13254	10.3
175.14896	3.7
185.13264	5.7
187.14801	6.0
189.16345	3.5
199.13318	7.2
203.58583	2.2
215.77028	2.3
221.15479	2.9
241.19632	2.2
243.21069	5.9
261.22052	13.6
263.23654	4.8
335.25854	3.5
367.30057	4.0
385.30869	6.4
403.32108	7.2
430.62375	2.9
441.33356	4.5
459.34738	14.8
477.29260	6.0
477.35791	66.7
478.36270	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.3
55.01872	19.9
55.05509	69.5
57.03429	10.7
65.03943	6.2
67.05499	73.9
69.03414	11.9
69.07066	15.3
69.58048	28.8
71.04996	8.5
79.05492	73.4
81.03416	42.1
81.07051	61.0
83.04966	13.9
83.08614	36.1
91.05475	53.5
93.07039	41.7
95.04971	32.5
95.08596	23.7
96.38239	3.8
97.06550	10.2
97.10159	58.7
100.16378	4.0
103.27166	5.0
105.07019	38.2
107.04961	42.5
107.08574	33.8
109.06543	10.3
109.10152	17.4
111.08100	7.7
117.07019	20.2
119.08596	23.7
121.06504	37.9
121.10153	11.8
123.04458	5.1
123.08056	11.0
125.09631	46.2
129.06981	20.6
131.08551	26.2
133.06499	9.1
133.10136	15.5
135.04465	5.4
135.08032	19.0
135.11661	4.9
137.06013	4.9
143.08585	12.5
145.06479	19.2
145.10103	20.9
147.08061	18.9
147.11667	12.0
149.09615	8.1
153.09132	11.2
155.08539	9.0
157.06531	6.1
157.10132	13.1
159.08090	9.6
161.09593	7.8
163.11195	8.0
169.10115	10.5
171.08185	5.4
171.11775	8.5
173.09569	4.9
175.11154	10.0
177.12720	5.4
181.10144	4.6
185.09628	4.2
187.11182	5.6
187.14799	5.4
189.11234	27.5
189.12692	6.2
193.12244	27.3
195.11765	5.5
197.13188	5.1
199.11221	6.7
211.13362	8.7
215.14413	10.2
217.12302	6.8
227.12746	15.8
233.15285	24.6
245.15523	9.7
267.15988	9.7
271.16989	4.0
273.14886	18.1
291.15829	5.3
339.23062	9.7
349.21661	19.7
357.24152	18.9
367.22650	52.5
385.23691	100.0
403.24774	36.2
441.26230	6.2
459.27448	78.6
477.28610	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79027	4.4
53.03938	10.4
55.01863	20.5
55.05270	6.4
55.05510	88.6
57.03431	16.3
65.03926	8.6
67.05502	87.1
69.03418	11.7
69.07072	24.9
70.64386	10.6
71.04973	9.7
77.03906	4.6
79.05493	100.0
81.03411	83.2
81.07057	79.1
83.04965	18.0
83.08612	43.2
85.02907	14.4
85.06522	6.2
91.05478	74.3
93.07037	54.8
95.04961	47.7
95.08618	31.2
97.06537	16.3
97.09608	7.3
97.10175	54.2
105.07037	58.8
107.04960	55.5
107.08595	45.6
109.06502	15.3
109.10134	15.5
111.04440	6.1
111.08080	10.0
113.05962	6.8
117.07005	20.9
119.08568	32.9
121.06497	40.5
121.10122	12.7
123.07995	7.5
125.09624	39.5
128.06235	6.2
129.07022	25.2
131.08569	30.8
133.06477	9.8
133.10115	20.9
135.08075	21.4
135.11719	8.5
137.05920	5.8
137.09622	5.3
141.07001	5.9
142.07806	6.3
143.08562	16.6
145.06461	23.7
145.10117	17.8
147.08006	13.3
147.10585	4.9
147.11668	20.9
149.09616	16.4
149.13228	6.8
153.09073	8.4
155.08553	12.2
157.06512	5.4
157.10141	14.7
159.08028	8.1
159.11696	7.1
161.09590	8.7
163.11157	7.9
165.12709	5.7
169.10063	9.5
171.08127	6.0
171.11717	5.3
173.09596	7.3
175.11212	13.7
179.08606	5.2
185.13342	7.7
189.11195	25.8
189.12750	11.9
193.12224	38.1
197.13326	6.1
199.11107	7.5
201.80505	4.7
211.11325	5.0
211.13318	20.3
215.14388	9.9
227.12791	11.9
231.13730	5.9
233.15323	15.9
245.15421	6.9
255.13766	6.3
267.15924	9.9
273.14862	18.1
339.23044	12.7
349.21490	18.5
350.03482	6.8
357.24155	11.1
367.22592	52.4
372.57147	4.8
375.25351	5.3
385.23703	89.6
388.99301	4.9
403.24896	25.7
441.26581	7.8
459.27353	59.1
469.07135	4.9
477.28525	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	15.3
54.63168	4.5
55.01864	19.1
55.05512	90.2
57.03433	19.8
65.58590	5.5
67.05500	92.4
69.03431	11.9
69.07067	20.5
69.50869	25.0
69.51299	19.4
71.04996	14.6
79.05492	91.2
81.03416	81.3
81.07052	82.5
83.04990	22.7
83.08616	49.2
85.02908	14.7
91.05482	89.9
93.07045	64.9
95.04970	46.4
95.08602	34.0
97.06532	13.7
97.10162	63.4
98.21503	6.4
105.07032	51.2
107.04951	56.0
107.08584	44.3
109.06528	14.6
109.10148	17.7
111.04434	6.9
111.08089	13.5
115.05505	6.7
117.07017	26.2
119.08540	43.6
121.06527	37.8
121.10155	17.1
123.08074	13.6
125.05946	7.0
125.09617	44.0
128.06226	8.3
129.06984	26.3
131.04945	7.7
131.08569	35.3
133.06506	12.8
133.10117	18.5
135.08057	15.2
135.11714	6.7
141.07018	8.2
142.07788	7.2
143.08638	12.1
145.06487	30.1
145.10161	17.1
147.08063	15.6
147.11682	13.9
149.09686	7.6
153.09093	15.9
157.06531	5.2
157.10141	20.3
159.08089	11.0
161.05986	6.6
161.09512	6.9
163.11227	13.0
165.12791	9.5
169.10194	8.2
171.08063	6.3
171.10356	6.2
171.11757	10.9
173.09612	7.0
175.11235	19.3
179.39124	5.1
182.17702	7.0
183.11661	6.9
187.11026	6.4
189.11214	36.1
189.12753	8.3
191.63399	5.8
193.12209	54.4
197.09508	6.7
199.11169	10.5
209.11815	7.2
211.11496	5.7
211.13342	17.7
213.12775	5.5
215.14363	9.5
217.12352	6.6
227.12766	14.0
233.15399	31.4
235.13503	7.4
241.14517	6.3
245.15390	8.0
257.15335	5.8
267.15903	18.7
273.14862	19.9
275.16327	5.8
284.44220	5.4
291.15561	5.5
296.76624	5.8
339.23029	12.8
349.21655	21.4
357.24261	18.6
367.22675	53.1
368.23419	7.0
385.23730	100.0
386.24023	7.1
403.24771	35.3
410.92075	6.5
441.26279	8.3
459.27444	82.1
477.28424	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01880	1.0
55.05271	0.6
55.05513	8.6
57.03439	6.7
57.07072	1.0
58.77551	0.5
62.06062	0.6
65.03942	1.2
67.05505	31.6
69.06721	0.8
69.07072	8.8
69.34783	5.7
71.04983	0.8
79.05493	16.6
81.07054	27.0
83.04982	0.8
83.08602	2.8
91.05479	8.0
92.05824	0.6
93.07045	17.8
94.07362	1.2
95.04991	2.7
95.08606	21.9
97.06535	0.9
97.10155	1.1
98.06046	0.9
98.98428	0.5
105.07024	4.9
107.08598	7.6
109.06540	0.8
109.10163	7.9
111.08025	0.6
117.07006	2.0
119.08576	3.0
121.10152	6.0
123.11695	1.7
125.09666	0.6
125.22655	0.4
131.08546	1.9
133.10155	2.6
135.11713	2.9
137.13257	0.9
144.63397	0.5
145.10132	1.7
147.11664	1.1
149.13268	2.1
159.11656	0.9
161.13264	0.9
163.14745	0.8
173.13248	0.5
197.98196	0.6
216.06352	1.0
219.95378	0.5
261.22104	0.8
288.35300	0.5
297.10590	0.5
304.26349	5.6
310.44052	0.6
327.65976	0.5
335.25797	100.0
336.26086	4.0
359.35104	0.5
410.53806	0.6
442.77509	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09242	3.8
53.03945	14.0
55.01869	28.2
55.05263	7.0
55.05510	82.2
57.03434	17.2
59.04996	7.0
63.82952	3.7
65.03938	6.8
67.05504	89.2
69.03436	9.3
69.07069	24.7
69.71376	28.7
71.04990	7.4
79.05494	86.3
81.03424	64.9
81.07051	70.2
83.04986	11.8
83.08631	42.7
85.02914	9.4
85.06573	6.2
91.05479	73.1
93.07038	44.9
95.04981	40.8
95.08606	43.1
97.06537	10.1
97.10174	69.7
102.67484	4.1
103.05446	6.5
105.07030	48.2
105.18525	3.6
107.04956	45.7
107.08582	52.1
109.06497	20.9
109.10159	24.5
111.08141	5.4
115.05441	6.1
115.81700	3.8
117.07032	28.8
119.04916	6.4
119.08593	27.7
121.06507	50.7
121.10129	15.6
123.08099	12.4
125.09635	43.0
128.06183	6.7
129.06967	23.8
131.04945	9.5
131.08571	39.4
133.06496	19.0
133.10104	20.9
135.04376	4.5
135.08066	17.4
135.11758	4.8
141.06995	10.6
142.07837	5.1
143.08574	15.7
145.06500	27.8
145.10139	14.6
147.04341	6.1
147.08043	17.9
147.11705	18.4
149.09619	11.6
151.11290	5.0
153.09114	10.1
155.08591	7.5
157.06540	8.4
157.10158	16.1
159.08060	10.1
159.11668	7.1
159.92062	4.5
161.05975	5.1
161.09679	8.9
163.11176	8.2
165.12807	5.5
167.08545	7.2
169.10133	10.4
171.08018	10.1
171.11688	14.7
173.09477	6.2
173.13252	5.2
175.11198	16.1
181.10164	5.0
185.02023	3.9
185.09683	5.5
185.13268	4.6
187.11230	5.4
187.14825	6.3
189.11241	30.1
189.12796	8.7
191.10751	4.6
193.12270	34.0
195.11789	5.6
197.13266	7.0
199.11140	8.0
205.12280	8.7
211.13268	9.9
213.09235	4.1
213.12744	8.6
215.14436	8.1
217.12230	6.3
222.07187	4.0
227.12688	22.8
231.13745	6.0
233.15331	29.9
245.15413	7.8
249.14813	7.3
255.13823	6.8
267.16006	16.6
273.14908	17.5
275.16275	4.8
315.11569	4.4
328.82605	5.0
339.23181	15.7
341.21112	7.0
349.21530	25.2
350.22064	4.7
357.24228	24.7
367.22726	60.4
368.22623	4.4
375.25330	4.8
385.23737	77.6
403.24927	38.6
433.25958	11.5
441.26349	10.4
459.27383	100.0
460.27774	6.3
477.28448	62.1
478.28723	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01759	0.4
56.96575	1.0
57.03430	0.8
61.01139	1.3
63.99572	0.4
69.03427	7.2
70.42393	0.5
71.06130	1.4
73.01142	0.6
79.66734	0.4
81.03416	1.6
85.02908	3.2
95.04967	0.5
97.02890	100.0
98.97591	1.3
99.04443	0.7
109.02861	1.2
113.02393	0.7
115.45732	0.5
116.98595	1.1
127.03915	1.1
135.04422	0.8
136.06186	59.8
137.04567	0.5
139.03912	0.7
143.01636	2.5
153.01845	2.1
161.02666	5.0
162.07762	0.9
163.03951	0.8
164.05710	2.5
178.07240	2.8
179.03706	4.0
193.04967	3.6
237.02831	0.7
238.03267	0.6
248.07819	1.0
259.08093	2.9
278.07031	2.3
296.08194	3.4
310.94644	0.6
314.09152	9.1
458.13370	3.2
476.14410	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79498	2.3
52.98136	2.3
55.05520	3.3
55.44357	2.1
57.03423	9.9
57.08208	2.2
60.04524	6.7
65.03949	2.7
67.73203	2.5
69.03431	5.1
70.06582	2.3
71.04990	58.9
71.56899	3.5
75.04464	2.8
79.05476	7.1
81.03413	6.7
81.07070	4.2
83.04968	8.2
84.04488	2.4
85.02900	92.9
87.04453	4.2
91.05474	29.5
94.06586	2.6
95.04955	6.3
97.02892	7.1
105.07027	12.0
106.06536	6.4
107.04948	46.8
109.02886	7.5
109.06514	6.8
117.05755	4.5
120.08087	41.1
122.09639	5.7
127.03944	5.9
129.05475	19.5
132.08089	66.7
133.06474	20.6
145.05014	2.9
147.04434	4.0
147.06505	4.7
150.09132	100.0
153.01819	9.1
163.03987	3.4
168.10216	11.7
276.56311	2.4
304.93381	2.3
312.14380	18.8
330.15424	14.9
384.51239	2.4
395.19946	2.5
476.21207	6.4
481.67743	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	476.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20158	6.1
57.03440	57.4
60.00354	7.9
61.02920	16.3
63.60669	6.5
69.03429	47.5
69.30605	73.1
69.30940	8.9
71.04984	10.0
73.02923	100.0
76.69131	5.8
79.05492	11.8
81.03414	15.4
85.02905	82.1
87.04502	8.2
91.05485	7.3
93.07041	10.9
95.04988	9.4
95.08620	7.2
97.02897	72.9
98.20789	12.9
99.04472	5.8
105.07043	17.6
107.04949	9.2
109.02888	15.2
115.03947	60.6
121.02850	6.5
121.06487	6.3
124.05219	13.5
127.03908	26.3
133.04961	20.4
133.06500	8.9
137.06015	21.2
145.04979	29.0
153.01819	24.4
165.09097	80.9
166.09409	6.9
167.07050	6.1
198.11220	7.6
215.07596	7.3
287.05475	10.1
323.11084	13.2
334.93018	7.5
378.17636	8.9
461.91702	7.5
476.29871	9.2
477.16818	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	476.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98594	2.8
55.05502	14.1
56.04337	3.1
59.74459	3.1
60.63551	3.1
62.06090	43.3
63.51245	3.2
67.05499	32.8
69.07056	11.1
79.05496	25.5
81.07054	28.1
91.05495	16.4
93.07053	25.1
95.04957	3.9
95.08603	21.2
98.98456	12.4
105.07010	9.6
107.08566	14.8
109.10149	10.0
109.63354	3.1
119.08560	9.3
121.10135	7.0
121.31126	3.7
131.08569	5.7
133.10089	6.8
135.11667	4.6
173.02148	3.3
198.05376	4.1
212.27112	4.0
216.06282	5.7
229.31384	3.9
252.33098	3.5
261.22147	7.1
304.26273	9.5
327.98135	4.0
335.22046	6.3
335.25784	100.0
336.26135	4.8
360.94348	3.3
458.27048	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08084	2.2
53.03943	4.9
55.01852	2.9
55.05509	17.2
57.03438	21.1
57.07073	51.4
59.04991	2.6
61.02924	56.8
67.05503	31.4
69.03428	27.7
69.07068	15.6
71.01334	6.2
71.04986	5.5
71.08630	34.6
73.02917	28.4
79.05481	15.3
81.03413	19.2
81.07055	43.4
83.04977	2.5
83.08617	23.8
85.02899	55.5
85.10175	21.8
91.03954	34.1
91.05470	9.5
93.07048	16.4
95.04949	9.1
95.08601	49.8
97.02886	47.3
97.06525	3.6
97.10140	8.5
98.20706	5.4
99.04450	10.0
101.02386	12.3
103.03933	6.5
105.07028	12.6
107.04939	2.6
107.08586	15.7
109.02877	13.6
109.06491	4.0
109.10148	24.4
109.24710	2.0
111.08044	2.6
115.03855	3.3
117.07011	4.6
119.08564	8.4
121.06503	3.0
121.10129	11.1
123.11691	11.7
126.44934	2.2
127.03918	25.3
129.05524	3.0
129.06982	2.8
131.08540	4.5
133.10120	7.8
135.11653	5.4
137.13229	7.0
143.08562	5.1
145.04944	10.1
145.10115	6.7
147.11673	8.7
149.13287	3.6
151.14803	4.0
157.10159	2.5
159.11729	4.3
161.05988	2.8
161.13248	4.8
163.11255	3.3
163.14804	2.8
171.11655	4.9
173.13193	2.4
183.06517	6.3
187.14774	3.3
191.10660	2.3
191.17929	2.9
195.11800	2.9
201.07547	3.7
239.23676	28.6
257.24722	4.4
313.27341	100.0
341.26492	2.3
385.52902	2.2
408.43817	2.6
439.32013	2.7
457.32538	3.0
475.32779	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3782
Annotation	Sipholenone E
Peak:m/z	Relative Intensity
67.05521	11.8
69.07076	11.0
69.41285	23.8
69.41707	34.3
74.06689	5.6
79.05538	9.9
81.07061	18.7
93.07085	9.6
95.08623	22.6
98.23586	5.7
105.07046	7.1
107.08601	12.8
109.10190	19.5
119.08601	11.0
135.11687	6.3
155.65332	6.4
171.10168	24.1
217.12222	5.7
251.04668	7.5
316.94122	6.7
341.98575	6.4
379.52023	6.8
439.35571	10.1
475.32608	100.0
476.32742	8.7
495.24588	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	6.4
67.05496	14.1
69.07057	13.2
69.26866	4.4
69.27285	18.6
70.61391	1.8
71.04982	2.0
74.02732	2.1
79.05475	6.1
81.07059	24.9
83.04952	3.3
83.08612	8.0
85.06550	2.9
91.05484	4.1
93.07042	12.9
95.08601	40.9
97.10139	2.6
101.06053	2.0
105.07014	5.1
107.08593	37.7
109.10152	37.8
111.11728	4.8
119.08578	5.0
121.10126	15.1
123.11711	9.0
125.09623	42.1
133.10106	5.7
135.11713	9.3
135.23935	1.7
137.13245	5.9
140.71867	2.0
143.10652	2.2
145.10104	3.1
147.11713	2.4
149.13260	10.5
153.09094	7.9
159.11739	2.3
161.13240	4.0
163.14821	6.6
171.10158	100.0
177.16359	6.5
191.17924	5.2
205.19519	9.5
217.19461	3.0
255.47560	2.1
287.27411	2.9
391.37317	2.0
439.35843	2.6
459.13388	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.4
55.05510	2.7
57.03421	1.3
57.07052	1.0
65.03926	1.5
67.05501	3.4
69.07059	3.7
69.37701	3.7
79.05490	2.5
81.03419	0.6
81.07060	3.8
82.52047	0.3
83.04974	0.5
83.08614	1.9
85.02886	0.5
91.05475	9.9
93.07042	3.0
95.04984	0.5
95.08608	3.3
97.06533	0.6
97.10159	1.0
105.07011	1.5
107.04974	0.4
107.08578	1.6
107.51379	0.3
109.06492	0.4
109.10142	1.8
111.11688	0.4
117.07069	0.6
119.04935	22.9
119.08562	1.3
121.10143	2.0
123.11720	1.2
129.06966	0.5
131.08574	0.6
133.10139	1.2
135.11661	1.7
137.13232	0.7
145.10117	1.1
147.04405	100.0
147.11707	1.0
148.04750	1.7
149.13217	0.8
157.10150	0.8
159.11722	0.6
161.09793	0.3
161.13251	0.5
165.05475	2.0
171.11693	0.5
175.14775	0.4
185.13329	0.4
189.16348	0.5
195.52997	0.4
207.17519	0.4
243.73160	0.4
288.39587	0.4
363.69867	0.3
475.30917	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.7
53.03944	8.6
55.01866	4.8
55.05511	25.3
57.03432	6.9
57.07061	2.8
59.04981	1.5
62.60516	1.1
65.03938	4.8
67.05502	91.1
69.06720	2.0
69.07067	24.6
71.04988	4.9
71.58518	2.5
73.06529	1.7
77.18526	1.2
79.05491	100.0
81.03419	11.4
81.07053	86.6
83.04977	14.4
83.08620	15.2
85.06542	5.2
91.05479	63.8
93.07040	92.2
94.07364	1.3
95.04969	24.5
95.08604	35.0
97.06528	14.6
97.10154	3.4
99.08079	4.5
103.05498	1.4
105.04527	1.5
105.07029	43.3
107.04951	8.4
107.08587	36.8
109.06544	8.8
109.10152	6.3
111.08076	4.2
115.05439	2.4
116.77779	1.0
117.07015	13.0
119.08582	22.8
121.06496	3.0
121.10133	16.0
121.62746	1.2
123.08047	6.3
123.11695	2.2
125.09554	1.7
127.07558	1.6
128.06226	2.3
129.07010	15.3
131.08577	8.8
132.34306	1.2
133.06473	1.6
133.09203	2.1
133.10115	14.2
135.08083	2.3
135.11697	7.2
137.09744	1.2
142.07770	1.5
143.08551	6.5
145.10100	6.8
147.08014	2.8
147.10521	1.5
147.11687	28.8
149.09647	1.4
149.13252	24.3
159.11691	12.1
161.09615	4.0
161.13237	12.7
165.74319	1.1
171.11687	27.9
177.12782	4.5
179.14294	1.1
189.12778	10.4
195.13878	6.6
207.13794	24.9
225.14911	2.4
239.86249	1.1
276.23633	1.1
376.79462	1.2
396.36990	1.2
419.18063	1.3
475.30551	45.9
476.30875	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.6
55.01859	3.3
55.05503	24.1
57.03427	6.0
57.07066	3.7
65.03938	3.6
67.05499	84.1
69.07067	31.1
71.04979	5.7
71.19230	2.8
71.19550	3.8
76.40537	2.3
79.05489	91.6
81.03419	10.3
81.07053	100.0
83.04958	15.5
83.08616	20.3
85.06557	3.7
91.04897	3.9
91.05473	70.5
93.07037	95.7
93.07630	4.9
95.04964	28.1
95.08601	41.6
97.06519	16.6
97.10155	6.0
104.23016	2.2
105.07029	42.8
107.04942	7.5
107.08579	41.0
109.06511	10.4
109.10153	7.3
111.08086	7.9
113.06020	2.2
115.05460	3.0
117.07019	15.9
119.08558	27.7
121.06487	3.3
121.10126	20.0
123.08042	7.1
123.11683	2.8
128.06175	3.9
129.06990	19.7
131.08560	14.1
133.10127	15.2
135.07980	2.6
135.11694	7.9
136.34987	2.6
143.08537	7.9
145.10123	10.9
147.08040	4.6
147.11676	40.5
149.13235	26.5
151.11200	3.0
159.11681	13.4
161.09592	5.3
161.13222	14.3
171.11679	24.0
171.15540	2.2
173.13176	2.9
177.12720	7.7
178.16902	2.3
189.12813	11.9
195.13789	6.2
207.11824	3.8
207.13753	29.6
207.71872	2.1
218.00862	2.1
225.14783	4.8
259.67236	2.2
280.20840	2.4
293.21069	2.4
318.58093	2.1
400.14502	2.2
457.29675	3.1
475.30505	64.9
478.29584	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	8.9
55.01869	6.5
55.05510	30.6
57.03425	6.1
57.07072	2.8
65.03937	7.1
67.05503	82.6
69.03436	2.4
69.07065	26.4
71.04980	3.5
79.05491	89.3
81.03413	19.5
81.07054	100.0
83.04973	17.9
83.08612	20.6
85.02895	2.0
85.06538	3.8
91.05478	72.9
93.07042	86.1
94.07397	1.7
95.04968	27.3
95.08604	41.5
95.09171	3.4
97.02917	2.5
97.06538	13.0
97.10180	7.3
99.08134	2.1
105.04556	2.3
105.07027	42.8
107.04964	9.8
107.08586	50.4
107.09301	2.8
109.06518	9.2
109.10145	13.7
111.04467	1.8
111.08053	7.6
115.05473	2.0
117.07018	15.7
119.08578	31.4
121.06526	6.0
121.10140	20.1
123.08064	7.0
123.11707	7.2
125.09638	2.8
127.07574	2.0
128.06183	2.1
129.07034	14.9
130.07832	2.2
131.08568	14.1
133.06482	3.1
133.10138	23.4
135.08046	3.8
135.11707	14.9
137.13242	2.2
141.09087	1.9
143.08534	9.2
145.10132	13.8
147.08032	4.3
147.11679	34.0
149.09671	2.9
149.13260	21.9
151.11145	2.5
153.12761	4.7
155.08435	1.7
157.10139	3.7
159.11678	12.7
161.09627	5.0
161.13274	10.3
163.11151	3.0
163.14795	2.0
171.11690	24.1
173.13260	3.5
175.14749	2.5
177.12709	4.1
181.12242	2.7
185.13354	2.1
189.11333	1.9
189.12726	8.6
193.12207	4.8
195.13773	8.0
200.53494	1.7
201.16386	1.7
203.17911	1.8
207.13756	22.0
209.11739	1.9
225.14848	2.3
227.12743	3.7
239.17647	2.4
335.26022	2.3
383.21933	3.4
475.31058	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.8
53.03933	6.8
54.11491	1.9
54.47079	1.8
55.01858	4.0
55.05513	28.6
57.03432	3.8
57.07058	6.7
59.04990	2.9
60.36958	1.8
65.03931	5.5
67.05503	81.8
69.03434	3.3
69.07064	34.8
70.25271	5.7
71.04972	7.4
71.08570	2.3
79.05492	74.5
81.03403	8.6
81.07055	100.0
83.04987	15.1
83.08622	21.1
85.06518	6.8
90.16300	1.8
91.05478	58.3
93.07040	80.0
94.07362	2.1
95.04968	27.4
95.08603	67.0
96.08960	1.9
97.06523	13.5
97.10155	6.8
98.21468	2.9
99.04444	3.1
99.08079	5.6
105.07031	50.7
107.04937	7.6
107.08591	57.5
109.06506	9.7
109.10159	30.7
111.08065	9.9
111.11716	4.5
111.51566	1.9
113.09647	2.7
117.07019	16.6
119.08578	41.1
121.06486	6.9
121.10144	34.1
123.08041	9.6
123.11699	17.4
125.09621	4.4
127.07558	2.7
128.06189	3.3
129.06981	14.0
131.08568	16.6
131.64220	2.4
133.06506	2.4
133.10129	30.1
135.07997	4.9
135.11681	19.1
137.09583	3.2
137.13226	7.5
139.07477	2.5
139.11151	2.9
143.08565	9.1
145.10135	21.0
147.07979	3.8
147.11676	35.2
149.09529	3.6
149.12175	3.4
149.13245	29.1
151.11125	3.3
157.10103	6.7
159.11690	20.6
161.09547	4.2
161.13271	17.6
163.14822	6.1
165.12799	2.6
169.10228	2.4
171.11668	25.6
173.13287	11.8
175.11168	3.2
175.14838	5.9
177.12749	6.0
177.16335	7.6
183.11678	3.2
185.13283	4.8
187.14836	6.4
189.12730	9.0
189.16386	16.2
191.17915	7.0
195.13763	6.1
199.14711	2.4
201.16374	11.8
203.17903	2.7
205.19531	3.4
207.13846	18.5
207.17403	15.8
213.16350	3.7
215.17934	3.8
217.15910	2.8
221.15422	2.5
233.19075	3.8
378.13751	2.0
383.29626	2.8
411.32544	3.3
421.34879	2.9
439.36551	14.3
457.32755	6.6
467.38998	2.1
475.30173	46.4
476.32117	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.6
55.01870	15.2
55.05511	28.7
57.03428	4.9
57.07072	2.6
59.04991	3.3
65.03939	5.2
67.05505	66.1
69.03417	4.3
69.07065	11.4
69.60969	15.1
71.04992	6.1
79.05497	40.5
81.03417	70.3
81.07059	39.2
83.04994	17.9
83.08619	21.8
85.01527	2.2
85.02925	3.5
85.06549	3.6
91.05482	39.7
93.07040	30.7
95.04973	32.6
95.08598	21.8
97.02913	6.6
97.06538	6.1
97.10155	13.5
105.07037	29.2
107.04951	33.8
107.08594	22.7
109.02897	6.3
109.06512	10.0
109.10161	24.9
111.04454	11.9
111.08072	9.6
115.05477	2.8
117.07014	14.4
119.04954	2.4
119.08572	23.3
121.02868	23.2
121.06517	12.2
121.10159	10.9
123.04411	3.1
123.08065	6.1
125.09641	9.4
129.06996	17.2
131.04926	6.0
131.08542	16.7
133.06512	7.1
133.10153	11.7
135.04443	11.7
135.08046	8.1
135.11681	16.1
137.05995	5.3
137.09579	4.5
141.07005	5.9
142.07780	2.7
143.08571	8.7
145.06453	11.2
145.10133	14.2
147.04442	4.6
147.08060	8.5
147.11700	12.4
149.06059	4.2
149.09630	8.9
151.04012	3.2
153.09167	3.9
153.12744	22.1
155.08549	6.6
157.06543	2.5
157.10107	13.1
159.08066	9.3
159.11708	6.1
161.05989	13.2
161.09636	5.3
161.13132	2.3
163.11168	17.1
165.09126	10.5
169.10190	4.7
171.08011	3.1
171.11662	3.3
173.09624	8.1
173.11818	4.3
173.13266	4.6
175.11234	8.6
177.12755	2.2
181.12279	9.6
183.11708	9.0
185.09634	3.3
185.13268	5.6
187.11244	2.6
189.09213	2.7
189.11237	6.8
191.10716	7.2
193.12228	27.8
201.12796	8.9
203.14212	3.1
205.12228	3.7
209.11748	7.4
211.11292	4.9
211.13298	3.7
219.13826	10.3
227.12744	23.1
229.12297	5.4
231.13855	6.5
243.13985	3.6
247.13319	51.9
249.14925	7.6
262.00888	2.7
265.14407	7.1
267.16089	3.8
271.13339	3.8
273.14941	2.6
289.14374	9.2
294.69034	2.7
312.66278	2.3
355.22769	6.4
365.21133	9.1
383.22159	47.0
401.23276	18.1
421.23969	2.8
429.26920	3.3
431.24380	4.0
439.24881	9.6
457.25851	23.5
475.26953	100.0
476.27097	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	475.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	7.3
55.01876	6.9
55.05501	13.5
57.03429	4.9
57.07046	3.6
57.72673	2.8
65.03937	3.4
67.05505	16.9
69.03080	2.8
69.03420	16.6
69.07057	18.2
70.06553	3.6
70.67166	3.1
70.89877	3.1
71.04978	5.1
71.47167	6.2
79.05492	28.9
81.03404	17.1
81.07049	28.6
83.04961	5.4
83.08601	6.5
83.98719	3.2
85.02910	16.4
85.06540	4.7
91.05483	30.9
93.07045	35.2
95.04966	17.4
95.08610	26.9
97.02918	7.6
97.06532	7.9
99.04464	7.9
104.40092	3.6
105.07030	28.2
107.04939	4.4
107.08593	23.7
109.02866	12.5
109.06514	12.6
109.10110	14.3
111.04446	5.3
111.08083	7.7
113.06006	4.1
115.05433	3.2
117.07021	6.8
117.56861	3.1
119.08579	66.5
121.06483	14.2
121.10122	21.9
123.08088	6.2
123.11758	4.1
125.06010	3.8
127.03871	7.8
128.55872	3.4
129.07011	5.1
131.08600	16.3
133.06516	3.4
133.10132	74.6
134.10901	6.3
135.07999	7.3
135.11682	12.0
137.05988	15.7
137.09605	9.3
139.07529	17.3
143.08548	8.7
145.06476	4.3
145.10133	19.3
147.04346	3.1
147.08043	6.4
147.11702	25.2
149.09618	7.4
149.13225	4.1
153.01869	4.7
155.07028	3.7
155.08482	4.1
156.09349	3.4
157.10120	9.2
159.08128	5.1
159.11664	5.6
161.09601	4.0
161.13239	4.9
163.11143	5.3
165.09091	16.0
167.07092	7.1
167.08641	4.8
169.10123	5.4
171.11679	8.9
173.09647	7.7
173.13261	10.1
175.07605	5.3
175.11223	5.4
175.14821	100.0
177.05562	5.2
183.11757	5.0
185.13211	8.4
187.11128	4.1
187.14772	4.4
193.04970	9.7
195.11688	5.4
196.12413	3.6
197.13194	4.2
199.14728	3.3
201.12715	5.5
209.13301	3.8
211.11314	3.4
211.14899	4.2
213.16290	3.9
215.14314	5.0
253.19553	3.7
258.89896	3.2
262.23593	3.9
265.10672	3.7
295.20355	5.9
313.21545	4.6
457.25842	10.2
475.26685	21.7
475.33417	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	475.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.8
55.01863	7.8
55.05509	34.2
57.03431	8.4
57.81507	2.5
65.03929	2.8
67.05501	49.2
69.03423	5.7
69.07058	15.1
71.05018	4.9
79.05496	36.5
81.03412	21.5
81.07059	35.2
83.04964	8.5
83.08622	18.2
85.06535	2.8
91.05472	26.4
93.07043	23.3
95.01375	2.2
95.04980	16.6
95.08607	20.0
97.06512	5.6
97.10167	22.3
105.04533	2.3
105.07023	22.4
107.04951	12.7
107.08586	21.0
109.02872	9.8
109.06530	5.6
109.10151	19.7
111.08079	5.1
115.05450	5.8
117.07005	16.7
119.04956	4.9
119.08593	14.8
120.14611	2.4
121.02821	3.8
121.06483	15.0
121.10145	9.2
123.04395	3.1
123.08037	6.8
123.11694	2.3
125.02353	7.4
125.09641	16.0
128.06322	2.8
129.06987	10.5
131.04939	7.9
131.08563	12.1
133.06473	10.1
133.10112	8.0
133.30194	2.3
135.04419	7.4
135.08034	6.8
135.11723	4.0
137.06020	2.9
137.09634	3.0
141.06960	4.0
142.07727	2.5
143.08557	6.3
145.06462	13.4
145.10123	8.0
147.04401	9.1
147.08043	8.6
147.11684	6.9
149.09653	5.9
153.09149	3.8
155.08533	5.9
155.10641	2.5
157.06490	5.8
157.08888	2.8
157.10144	10.6
159.08026	8.3
159.11548	3.4
160.05199	6.3
161.05978	29.4
161.09550	5.1
163.11182	10.3
165.09042	4.9
167.08554	3.9
169.06558	4.6
169.10120	3.9
171.08025	4.0
171.11676	3.3
173.06010	7.4
173.09613	10.7
175.07527	4.7
175.11121	4.6
183.08153	5.5
183.11678	5.7
185.06017	3.7
185.09567	3.4
185.13235	4.6
187.07487	7.1
187.11194	2.6
189.09138	6.3
189.11192	6.8
193.12247	7.7
195.11732	4.3
197.09663	4.3
199.11140	3.0
201.09181	3.4
201.12801	3.1
203.14371	2.6
205.12271	5.1
207.11653	3.3
211.11195	4.1
213.12660	4.6
221.13239	2.8
225.12695	3.2
227.12767	5.0
231.13936	6.5
237.11189	4.9
243.13835	4.7
257.15213	3.4
269.15393	5.4
271.13297	8.4
273.14825	9.5
287.16412	2.7
289.14319	16.8
295.13754	3.0
303.15796	4.6
337.21555	5.0
355.22617	11.0
365.21091	25.4
383.17334	6.1
383.22150	100.0
384.22330	4.8
393.24423	2.9
401.23206	41.4
421.23654	5.4
429.26392	2.8
431.24347	8.9
439.24762	11.2
457.25848	59.8
457.35754	3.0
475.26874	80.3
476.27136	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	474.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.7
55.05499	6.1
67.05488	10.1
67.74958	2.0
69.07055	4.6
71.04974	3.5
72.10764	2.0
79.05500	10.4
81.03420	5.0
81.07055	15.7
83.04990	2.8
83.08609	2.6
91.05482	11.2
93.07021	9.8
95.04966	6.1
95.08605	25.7
97.06538	4.4
97.10162	2.5
98.21564	3.5
103.86883	2.2
105.07041	11.7
105.85425	2.2
107.04939	4.8
107.08596	10.4
108.08860	2.5
109.06509	4.1
109.10159	8.4
111.08082	4.4
113.09629	2.7
117.06984	3.5
119.08575	16.1
120.08935	2.9
121.06488	6.0
121.10123	8.4
123.08042	3.6
128.06133	3.1
129.07022	5.0
131.08536	5.3
133.10123	11.0
135.11682	2.5
137.09581	2.6
139.07501	2.7
142.07756	2.5
143.08574	8.8
145.10094	6.8
147.11589	3.5
149.09624	2.4
151.07487	4.6
153.07010	3.2
155.08549	6.9
156.09459	2.3
157.10156	3.7
159.08104	2.6
159.11656	6.1
161.13214	3.1
163.11153	2.3
165.07002	7.8
166.07852	2.9
166.09410	2.4
167.08553	7.1
169.10089	12.0
171.08054	3.2
171.11568	2.9
173.09515	2.6
179.08545	7.0
180.09332	6.3
181.10130	8.8
183.08005	6.1
183.11655	3.8
185.09612	7.5
191.08578	2.8
193.10071	6.2
195.08052	4.8
195.11726	21.4
197.09619	6.5
197.13181	5.8
205.10129	6.5
206.10820	3.8
207.11658	7.4
208.08801	8.3
209.09650	5.0
211.11137	4.1
211.14932	3.1
217.10194	5.4
218.10818	2.7
219.11728	4.9
221.09534	5.4
221.13210	7.3
222.10580	2.6
223.11172	28.6
223.14740	3.9
225.12704	4.0
229.10231	4.5
229.62794	2.3
232.12372	3.6
233.13275	4.7
235.11145	3.2
235.14899	4.6
237.09291	2.7
237.12646	5.3
241.12520	3.5
245.13214	4.2
247.11111	3.1
247.14896	13.0
249.12692	4.8
257.13336	2.5
259.11237	2.7
259.14752	3.6
261.12811	3.9
265.15869	27.3
271.14755	2.3
273.16351	2.6
283.16922	100.0
321.18280	2.5
329.18875	4.2
335.16537	3.5
343.20514	6.2
345.22260	5.5
361.21558	8.7
363.23178	20.0
371.19925	6.8
389.21170	23.7
389.26050	3.2
393.24130	4.4
403.22440	4.9
407.22174	25.0
411.25391	3.2
421.23859	7.9
438.34131	3.0
439.24774	10.8
456.35614	4.0
457.26010	5.1
474.36740	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	475.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27041	3.8
53.03931	9.7
55.01861	8.6
55.05503	26.3
57.03447	5.9
67.05501	43.4
69.03423	13.9
69.07056	15.0
70.04063	9.0
70.32348	3.3
71.04993	10.5
71.57869	3.9
71.58247	4.2
79.05498	31.2
81.03401	26.9
81.07061	30.5
83.04984	5.1
83.08607	11.9
85.02908	8.4
85.06515	5.3
91.05476	33.4
93.07049	29.9
95.04973	13.3
95.08588	24.4
97.06510	6.6
97.10144	10.5
105.07042	31.7
107.04960	15.9
107.08594	16.5
109.02901	6.4
109.06493	7.9
109.10133	38.9
111.04449	4.8
115.05418	4.8
117.07004	11.8
118.64816	4.0
119.08588	29.8
121.02934	7.4
121.06500	14.6
121.10146	16.8
123.04482	4.0
123.08040	7.9
123.11678	11.5
125.09644	9.8
127.03925	4.3
129.06981	11.2
130.07776	4.4
131.04926	6.7
131.08585	15.6
133.06468	9.5
133.10121	12.1
135.08014	7.9
135.11684	8.7
137.05931	11.1
137.09593	17.1
141.07005	7.5
143.08519	6.7
145.06458	6.9
145.10156	16.4
147.04472	5.9
147.08020	10.6
147.11682	4.2
148.42467	3.5
149.09573	8.0
151.11115	4.0
153.01828	5.0
155.08597	6.5
155.10574	4.2
157.10103	8.2
159.08014	5.8
159.11691	6.9
161.05977	6.9
161.09579	4.3
163.07591	4.5
163.11166	11.3
165.07033	5.6
165.09100	100.0
167.07008	5.4
169.10100	6.2
171.08061	10.0
171.11682	7.9
173.09601	5.3
173.13239	5.6
175.07524	4.4
175.11084	5.1
179.08490	6.5
181.10161	7.9
183.08041	5.5
183.11778	5.5
185.09630	6.4
187.11232	5.1
189.09068	7.1
193.04918	8.8
193.12236	4.9
195.08052	4.2
197.09589	5.8
197.13309	5.0
198.10435	4.7
199.11171	6.7
203.10527	4.9
203.17694	5.0
209.09773	8.3
209.11717	14.8
209.13449	6.9
211.11208	7.3
213.12753	4.3
215.10768	4.6
223.11163	4.9
227.12682	7.6
235.11256	5.4
247.13333	10.9
249.16403	5.1
267.17465	13.0
277.15768	19.5
289.14374	7.5
295.16876	58.3
296.17007	4.5
313.17957	11.5
346.06879	3.7
355.22797	4.6
365.21060	7.0
383.22159	27.9
390.05606	4.3
401.23184	13.2
439.32285	4.5
457.25687	17.2
475.27390	42.2
476.27606	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	474.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65982	0.2
50.89552	0.2
55.01861	0.3
55.02972	0.3
56.96554	0.3
57.03415	0.5
61.10869	0.2
69.03407	0.5
69.96107	1.3
73.02889	0.4
81.03403	0.4
85.02872	1.1
97.02872	0.6
98.21496	0.3
109.02862	1.0
110.03519	4.0
121.44753	0.3
122.05927	0.2
124.37530	0.2
127.03841	0.3
128.04555	0.5
132.79861	0.2
133.04985	0.4
137.08221	2.1
137.90584	0.2
146.06012	0.3
153.01872	0.5
153.04062	2.2
162.07738	1.0
165.06412	0.4
180.08780	100.0
181.09167	1.2
275.02011	0.3
282.69952	0.3
303.01294	0.7
336.02228	0.3
345.12979	0.5
474.12802	0.8
474.18195	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11849	2.4
53.03950	2.0
55.05502	6.8
57.07072	16.7
67.05499	4.5
71.03255	5.5
79.05497	3.3
81.03438	2.9
81.07048	5.0
84.58875	1.8
86.10529	2.1
91.05510	2.9
95.08595	4.7
95.12082	1.8
105.07027	2.7
109.10157	2.8
112.97614	2.0
138.29817	2.1
141.94835	2.0
149.02338	100.0
149.09593	2.2
152.80569	2.0
165.09091	6.0
166.09491	3.1
167.03476	2.7
175.07535	4.5
203.07005	6.2
205.08615	6.4
244.28389	2.2
247.07713	1.9
277.14365	23.0
446.55460	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.3
55.01855	2.9
55.05508	25.8
57.03428	4.5
65.03928	3.6
67.05504	47.9
69.03418	2.6
69.07066	10.4
69.60162	8.3
69.60580	3.4
71.05006	3.2
77.03893	2.1
79.05491	65.1
81.03416	100.0
81.07053	42.3
83.04974	12.6
83.08617	22.3
85.02861	1.6
85.06557	2.4
91.05480	54.4
93.07037	49.1
95.04958	40.7
95.08601	22.2
97.02893	3.2
97.06501	5.3
97.10159	5.5
99.08114	2.3
103.05460	2.1
105.04530	2.8
105.07027	46.5
107.04961	12.2
107.08588	16.9
109.06531	8.1
109.10152	5.9
111.08071	6.9
115.05433	2.9
117.07014	11.6
119.08580	28.3
121.06505	5.6
121.10168	9.1
122.78265	1.5
123.08061	4.1
125.09628	5.2
128.06229	3.2
129.07007	22.3
131.08575	11.3
133.06503	3.7
133.10129	11.8
133.85257	1.3
135.08051	2.2
137.09599	3.6
139.29865	1.4
141.06937	2.2
142.07829	3.5
143.08600	8.4
145.06488	2.3
145.10072	10.5
147.08060	5.0
147.11687	30.9
149.09593	4.8
149.13261	1.7
151.11177	1.4
157.10143	10.5
159.11740	2.6
161.09593	5.1
161.13202	8.1
163.11102	1.9
171.11678	21.3
175.11198	10.4
185.13181	2.2
189.12753	8.1
193.12236	24.6
207.13797	19.3
249.14941	3.5
267.70605	1.6
381.24109	3.6
386.27609	1.7
390.94046	1.5
399.25403	2.2
455.28143	1.8
473.28949	51.6
474.29132	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	473.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.1
55.01876	5.8
55.05507	21.4
57.03448	5.4
65.03951	5.0
65.90112	1.3
67.05505	62.3
69.03451	5.7
69.07064	14.8
69.07344	1.3
69.40221	4.7
69.40643	8.8
71.01347	2.0
71.05020	3.2
73.06560	2.3
79.05494	77.2
81.03418	100.0
81.07056	49.4
81.07506	3.0
82.03770	1.5
83.04984	15.3
83.08621	20.6
85.02956	2.0
85.06551	2.6
91.05482	68.2
93.07043	50.3
95.04967	42.8
95.05542	2.4
95.08607	33.1
95.09161	2.2
97.02922	6.4
97.06567	4.9
97.10183	8.1
99.08067	1.7
101.74885	1.6
103.05477	3.3
105.04557	2.0
105.07030	45.1
107.04965	14.8
107.08597	20.1
109.02930	2.0
109.06513	9.4
109.10155	13.0
111.08087	8.6
113.09711	2.5
115.05492	3.9
117.07043	11.9
119.04981	2.4
119.08576	33.2
119.09338	2.1
121.06570	5.8
121.10139	12.3
123.08132	6.2
123.11772	5.2
125.09676	4.7
127.07575	1.4
128.06279	6.2
129.07011	24.7
129.07901	1.6
131.08585	14.0
133.06567	5.6
133.10129	14.1
135.08092	2.4
135.11760	4.5
137.09688	4.8
141.07066	3.2
141.09145	1.9
142.07838	4.5
143.08571	10.2
145.06487	2.7
145.10085	10.3
147.08136	5.5
147.11679	29.6
147.12753	1.6
149.09703	5.8
149.13347	2.4
155.08617	3.8
157.06569	2.3
157.10146	9.8
159.08096	2.3
159.11760	5.4
161.09586	6.7
161.13310	7.8
163.11327	2.8
165.09148	12.6
165.12802	1.9
169.10208	3.0
171.08067	2.9
171.11678	22.9
172.08855	1.6
175.11142	10.3
181.10229	2.7
189.09180	2.9
189.11298	2.3
189.12868	6.2
193.12236	26.9
201.12914	2.2
201.16460	1.8
203.14409	1.9
205.12379	1.7
207.13809	15.6
217.12418	2.4
229.12294	1.8
238.09744	1.5
249.15025	3.1
271.17368	1.7
340.37668	1.3
381.20380	2.1
381.24530	3.9
394.99484	1.5
469.00739	1.7
473.19540	2.1
473.29349	48.0
473.36548	5.1
474.29630	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.6
55.01859	3.5
55.05511	4.8
57.03418	2.2
57.07079	1.3
65.03928	2.8
67.05508	10.8
69.03432	10.8
69.07072	5.6
69.71365	6.5
71.04974	1.8
79.05495	22.0
81.03416	7.3
81.07054	15.0
83.04977	7.3
83.08610	2.2
85.02885	3.5
85.06535	2.2
91.05484	21.6
93.06483	1.1
93.07044	18.7
95.04971	11.6
95.08598	9.7
97.02888	2.7
97.06514	3.9
97.10146	1.8
98.21484	1.5
99.04451	2.1
99.08051	1.2
103.05452	1.5
105.07033	18.5
107.04954	7.8
107.08597	28.9
109.02863	4.1
109.06549	7.1
109.10155	13.7
111.04417	2.2
111.08086	3.6
115.05446	3.6
117.07015	5.8
119.04913	1.8
119.08582	11.7
121.06506	8.5
121.09235	1.2
121.10130	20.1
122.07282	10.6
123.04456	1.7
123.08052	4.0
123.11720	2.1
125.05930	1.0
125.09605	2.5
127.03911	13.9
129.06982	3.2
131.04942	2.1
131.08543	8.9
133.06442	2.3
133.10127	100.0
134.10468	1.3
135.08055	17.4
135.11703	4.7
137.06004	4.3
137.09615	76.6
137.13216	1.9
138.09995	1.2
139.07547	6.4
139.11121	1.0
143.08548	3.0
145.10129	5.1
147.04512	1.0
147.08009	2.1
147.11684	5.2
149.05878	1.7
149.09642	9.4
149.13264	11.4
151.07611	2.1
151.11177	1.9
157.10071	2.0
158.10860	1.8
159.08069	3.0
159.11674	2.4
161.09660	2.6
161.13298	1.1
163.07549	1.3
163.11174	2.1
163.14861	2.0
165.09143	7.5
167.07060	2.3
169.10042	1.9
171.11641	2.0
173.06078	0.9
173.09650	2.0
173.13290	8.6
175.11168	2.0
177.05492	1.1
177.09097	1.4
179.07007	1.7
185.09547	1.1
185.13261	1.7
187.11223	2.2
187.14876	1.0
189.09027	1.5
189.12784	1.7
189.16165	1.0
191.14304	35.2
192.14749	0.9
199.14751	1.2
201.09058	1.1
201.12798	1.1
211.14771	1.2
227.14272	2.7
231.13803	1.6
247.09668	1.7
255.13872	2.5
265.10718	3.3
269.15280	1.0
273.15063	1.3
283.11829	1.1
287.16446	1.0
299.16476	1.1
311.19919	1.7
329.21060	1.4
335.18552	3.7
353.19730	1.2
354.57834	1.0
381.20410	1.4
402.13257	1.5
455.24170	2.1
473.17874	1.3
473.25137	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2199
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
55.05503	0.9
57.03411	0.7
67.05490	1.3
69.03413	0.9
69.07050	1.4
70.04080	2.3
70.23408	0.4
71.04986	0.6
71.57838	1.0
79.05482	1.2
81.03401	0.6
81.07047	2.8
83.08578	0.4
85.02885	1.4
85.06538	0.7
90.99844	0.4
91.05475	1.2
93.07037	1.5
95.04932	0.7
95.08583	1.6
97.02878	0.8
97.06538	0.6
105.07021	1.1
107.04899	0.4
107.08616	1.0
109.02850	0.5
109.06487	0.6
109.10149	1.6
119.08566	0.9
121.10109	1.9
121.82037	0.4
123.08108	0.7
123.11707	0.8
125.05961	0.5
125.89361	0.4
127.03872	0.5
133.10138	1.0
135.11687	0.9
137.09596	1.0
145.10126	1.0
147.11711	0.5
149.09619	0.6
153.01851	0.7
159.11647	1.0
165.09108	1.2
171.11694	0.7
183.11871	0.5
203.05237	0.6
246.44221	0.6
259.07962	0.6
309.16705	1.6
312.99976	0.5
328.71375	0.5
469.72888	0.5
471.21973	100.0
472.22433	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	472.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.7
57.07058	0.7
57.59459	0.7
57.98785	1.3
58.99585	20.8
62.73857	0.9
69.03413	1.4
70.06580	0.8
71.56309	0.9
71.56753	1.2
76.02219	1.3
81.03426	0.9
85.02911	3.2
86.99048	10.8
91.05469	0.9
95.71031	0.7
97.02890	1.6
100.02201	75.0
104.81876	0.8
105.00085	20.2
105.07021	1.2
109.02937	0.8
115.07539	1.0
119.08546	1.6
124.03898	1.0
127.03895	2.1
138.05505	1.1
146.02701	85.1
147.11694	1.4
153.01794	0.8
172.04240	0.9
263.93634	0.9
292.13669	2.7
310.14597	3.7
360.62161	0.8
396.60059	0.9
410.15115	0.7
472.20020	100.0
473.13254	1.2
473.20294	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	473.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16897	0.6
55.01861	0.7
66.10385	0.7
69.03428	1.3
70.06592	1.0
79.01865	1.1
81.03404	2.8
83.01326	0.7
85.02911	1.6
97.02895	1.7
109.02885	2.5
111.04492	0.7
112.07480	0.6
113.07934	0.7
119.11008	0.6
125.02318	0.9
127.03918	100.0
129.09052	0.6
143.03387	2.1
153.01828	9.3
169.02705	0.7
229.32036	0.9
249.21803	0.8
255.03279	0.9
311.05722	1.1
313.05453	0.7
473.16296	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	471.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.8
55.01871	35.1
55.05504	8.5
57.03436	6.5
66.86153	4.6
67.05493	10.5
69.03436	31.8
70.74117	13.6
71.04979	14.8
79.05480	17.7
81.03426	48.9
81.07057	6.0
83.04978	6.3
85.02901	27.6
85.07614	4.8
87.04459	44.5
91.05477	46.2
91.97700	5.1
93.07043	16.3
95.04939	15.1
97.02882	24.1
97.06537	7.8
99.04455	14.2
103.05450	9.3
105.07033	31.9
107.04987	14.3
109.02904	28.7
109.06521	12.3
115.03928	14.8
115.05423	10.2
117.07015	45.1
119.04922	7.5
119.08594	16.6
121.06489	15.1
121.10152	6.1
127.03921	19.6
128.06238	14.8
129.06993	43.8
131.04915	14.3
131.08525	28.3
133.06512	16.1
135.04466	8.3
135.08035	7.8
137.05957	38.2
139.07533	7.1
141.07018	31.9
142.07819	9.6
143.08566	30.0
145.04964	8.3
145.06476	22.6
145.10114	11.4
147.08020	32.9
149.05983	11.8
152.06183	7.5
153.01826	35.7
153.07028	8.8
155.07423	5.9
155.08553	37.8
157.06520	19.0
157.10109	21.2
159.08066	25.8
161.06029	9.3
161.09608	6.6
163.07504	8.1
165.07072	12.9
165.08975	6.1
166.07803	9.3
167.08546	24.5
169.06468	6.6
169.10123	11.8
171.08060	26.2
173.09630	19.9
175.07568	8.9
177.05502	6.9
177.09100	30.3
181.06454	7.7
181.10127	14.2
183.08058	20.1
185.09639	37.2
187.11092	6.9
189.09106	7.8
195.07979	14.0
197.09610	22.1
199.05988	13.0
199.11145	15.5
201.09137	18.5
203.10680	5.8
209.09590	15.9
211.11075	6.9
213.09100	25.4
215.10748	21.4
217.12216	12.9
225.09117	8.7
227.10661	31.7
229.08556	7.3
231.10156	18.5
233.11665	9.2
243.10187	21.0
245.11749	100.0
255.10164	20.5
261.11298	12.7
273.11176	41.7
291.12289	99.0
309.13373	7.6
435.16605	8.0
471.18088	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	471.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12747	1.3
53.03933	3.6
55.01867	8.2
55.05512	16.0
57.03413	3.9
67.05485	4.9
69.03426	11.2
71.04977	6.0
71.56847	2.5
72.55269	1.2
73.02901	1.6
79.05485	8.8
80.01626	1.2
81.03413	16.4
81.07050	3.5
82.06561	3.1
83.04960	4.0
83.08618	9.5
84.08116	1.8
85.02892	11.9
85.07661	2.2
87.04468	11.6
91.05482	19.3
93.07040	6.8
95.04961	6.5
95.08582	4.6
96.08155	1.5
97.02885	8.4
97.06515	2.4
98.09682	1.6
99.04440	3.8
100.07606	5.0
100.11250	87.2
103.05452	1.4
105.07014	9.4
106.06541	6.8
107.04933	4.4
107.06894	2.3
107.08573	3.1
108.08118	9.4
109.02878	10.2
109.06504	3.4
109.08408	3.6
110.06051	2.1
111.04444	8.3
112.07609	3.6
115.03903	4.3
115.05440	3.7
117.07017	11.5
119.04928	2.0
119.08590	7.3
121.06470	4.7
121.10134	3.3
122.06919	1.3
124.07591	3.8
125.07889	2.5
126.09196	2.0
127.03899	9.8
128.06171	4.1
128.07094	6.2
129.05489	2.1
129.06996	13.2
131.04935	2.4
131.08537	8.6
133.06500	5.9
133.10106	2.2
134.06035	4.7
135.06358	1.6
135.08087	1.8
136.07584	2.2
137.05969	10.6
139.07542	2.0
139.08604	2.5
140.07007	2.4
141.06996	4.9
142.07756	4.7
143.08571	8.6
145.02826	1.8
145.06505	6.8
145.10159	3.1
147.08040	9.8
147.11638	1.8
149.05972	2.4
152.07091	12.8
153.01814	6.8
153.07166	5.5
155.08536	12.5
157.06494	7.1
157.10095	6.4
159.08075	10.2
159.11684	1.8
165.06992	4.1
165.09236	2.2
166.07747	3.1
167.08607	5.1
169.10156	5.2
170.08209	7.5
171.08028	7.3
171.11682	2.2
173.09621	7.8
175.07509	2.6
177.05492	4.3
177.09097	6.7
181.10107	4.4
182.15393	21.6
183.08076	6.0
185.09584	13.8
187.11201	3.6
189.09320	1.9
191.06938	1.7
191.08540	1.7
195.08130	2.7
197.09723	3.2
199.06004	1.5
199.07634	1.8
199.11227	5.8
201.09148	6.3
203.10634	2.3
204.08676	2.1
209.09618	5.2
209.16490	13.4
210.14883	24.5
211.11258	1.8
213.09119	10.9
215.10680	5.2
217.12242	2.3
225.09119	3.4
227.10658	11.5
227.17548	3.9
228.15880	1.7
231.10225	6.7
232.16898	1.6
233.11583	1.6
234.99117	1.5
237.09099	2.6
243.10187	8.4
245.11681	21.6
245.18587	2.9
250.98781	1.4
255.10168	10.4
257.11609	1.6
261.11218	4.5
267.45139	1.5
273.11203	12.2
273.19623	1.6
291.12201	16.2
291.20642	2.9
309.13364	3.4
325.03662	4.8
387.14392	1.4
417.15793	1.3
435.16876	1.4
453.19257	4.4
453.25934	3.3
453.34320	4.2
471.13754	3.0
471.20032	13.4
471.27405	3.4
471.35394	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	32.0
71.48144	10.2
84.96019	7.8
98.97569	75.5
101.00870	7.1
110.97485	7.3
112.89531	6.5
116.98612	59.6
119.01908	47.5
124.99154	15.2
128.98615	17.8
131.01912	15.2
132.01875	7.2
134.99641	39.1
143.00182	42.0
143.01881	18.8
145.03464	29.2
146.99623	19.0
153.00728	7.6
155.01906	12.2
157.03453	17.3
158.99657	20.2
161.01257	55.3
161.02928	39.9
170.99663	16.6
171.05078	5.9
173.02933	30.3
175.04582	14.2
177.00742	66.4
177.02283	10.9
179.02292	11.6
184.84224	5.9
185.01314	13.0
185.02956	35.4
187.04497	9.4
189.00731	33.0
193.05548	5.9
197.02934	14.9
203.02324	13.9
203.04033	16.1
207.01752	24.3
211.06580	8.1
215.04030	11.7
219.01776	19.3
221.05112	20.6
222.53308	5.7
231.01871	15.8
235.06651	15.7
237.02731	46.5
245.05096	79.5
249.02750	42.1
255.03839	56.9
261.92987	6.9
263.06055	12.8
267.03842	41.7
269.61801	6.9
271.06653	9.5
273.02646	10.1
273.05200	8.9
275.06219	12.0
279.03745	43.0
285.04901	24.7
291.03827	59.3
297.04962	44.9
308.89807	14.0
309.04855	100.0
321.04803	13.2
327.05930	33.5
337.09811	55.4
339.05911	10.3
351.06122	23.4
355.10815	11.3
381.06607	9.1
393.06924	14.0
411.08090	42.1
452.90445	34.2
471.11783	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.2
53.03933	5.0
55.01864	3.2
55.05505	2.4
60.03130	1.3
64.92954	1.1
65.03928	4.4
67.05499	5.7
69.03428	4.9
71.09216	2.8
73.02913	2.0
74.32611	1.1
74.79312	1.3
75.52482	1.0
79.05490	22.8
81.03391	7.3
81.07042	2.1
85.02884	6.2
87.04454	1.9
91.05470	12.9
92.04992	6.4
93.07043	13.0
94.06547	1.4
95.04971	10.3
96.08106	7.2
97.02888	3.4
97.06562	2.1
99.04430	1.4
103.05491	2.1
106.06553	47.7
108.08113	62.4
109.02871	3.9
111.08063	3.4
111.58909	1.2
117.65627	1.2
121.06486	4.3
123.06821	8.8
124.07593	39.0
124.08501	2.6
127.03907	3.7
134.06017	28.8
136.07571	17.0
137.06058	1.7
138.09073	1.3
139.07559	6.6
143.08479	1.1
145.06470	1.5
148.07581	1.9
150.05447	2.4
152.07060	100.0
153.01837	3.7
153.07422	1.6
154.08632	4.9
160.07597	3.3
162.09111	1.5
164.06982	1.2
167.01263	1.6
167.08528	1.3
170.08115	54.4
174.09206	2.1
186.09177	2.1
194.00212	1.2
198.09157	2.2
200.10779	1.7
208.74242	1.3
209.02734	4.4
212.10771	1.6
214.12201	2.4
242.11884	1.3
245.11748	1.6
254.11809	1.6
272.12894	4.1
290.13892	3.2
374.16211	1.7
392.16953	1.9
416.17224	2.1
434.18115	7.7
452.19110	26.0
453.19418	2.0
470.20245	62.0
471.19748	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	469.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	21.9
55.05502	24.9
55.62207	9.5
57.03425	12.0
58.24587	8.2
59.82780	7.8
67.05491	36.0
69.03419	25.9
69.07057	25.7
69.57710	71.8
71.04992	14.3
79.05488	85.7
81.03396	34.6
81.07063	82.8
83.04945	13.8
83.08609	12.8
85.02924	63.9
91.05483	78.3
93.07043	100.0
95.04955	23.2
95.08607	31.2
97.02867	21.4
97.06512	21.6
99.04457	14.7
99.08073	12.1
105.07024	38.5
107.04935	13.6
107.08572	27.3
109.06499	22.0
109.10158	37.6
111.08072	22.3
117.07033	11.7
119.08583	22.2
121.06502	38.4
121.10165	15.4
123.08051	17.2
123.11799	11.5
127.03927	26.0
131.08583	9.7
133.10187	16.1
135.08119	12.3
137.05937	11.3
137.09619	13.4
139.07526	78.4
141.07033	10.5
145.04979	9.5
145.06490	11.5
145.10022	9.1
147.08075	10.0
147.11688	15.6
149.09695	14.7
150.52106	9.0
151.07524	13.6
153.01811	44.4
153.08992	11.2
154.02144	20.3
155.08290	9.3
157.10049	9.4
159.07996	11.2
159.11685	12.1
169.12279	11.2
175.07358	10.2
199.14783	12.5
219.11693	9.5
265.10675	10.8
383.47562	10.4
451.31085	11.2
469.24127	31.5
469.32935	13.9
470.65335	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	469.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.3
55.01873	2.3
55.05504	5.1
57.03437	3.1
59.05009	1.2
61.02937	1.5
67.05511	2.3
69.03420	11.4
70.06587	1.5
71.04991	7.3
71.57393	1.8
72.43620	1.1
75.04469	1.4
75.68692	1.2
78.56178	1.1
79.05504	2.7
81.03418	31.0
81.07050	8.6
83.05000	6.9
83.08619	2.7
85.02912	4.0
85.06554	1.9
86.09746	1.5
91.05480	3.8
93.07040	2.1
95.04962	2.6
95.08562	1.2
97.02911	1.3
97.06538	1.0
98.09714	3.6
99.04449	10.8
99.08105	2.0
100.07587	3.6
100.11265	6.9
104.10767	1.6
105.07021	3.2
107.08582	1.4
109.02885	10.7
111.04483	2.1
112.07642	1.4
116.10762	2.3
117.05472	3.2
118.06571	2.1
123.08054	1.2
127.03932	4.6
128.07037	1.4
133.02818	1.1
137.02368	1.2
138.05513	1.2
145.02847	1.7
145.07642	5.3
147.09174	9.3
147.11739	1.5
151.11150	1.2
153.01817	4.6
167.07037	1.1
173.07153	7.9
175.08672	10.7
177.05489	3.7
182.15424	7.4
184.07390	1.5
188.03795	3.3
191.08148	100.0
192.43336	1.2
192.78586	1.2
198.14909	8.0
199.08794	1.5
209.16614	1.4
210.14899	6.5
221.89944	1.2
226.14449	6.1
227.17552	2.5
231.11478	1.4
271.10727	3.0
289.11844	8.7
305.05362	1.9
307.12881	34.3
308.13382	1.4
325.13898	32.7
326.14203	1.7
331.12875	8.4
337.21255	4.1
342.27597	1.4
349.13870	6.7
354.23911	4.2
371.16080	1.9
389.17108	3.3
391.14697	1.2
397.13870	4.9
415.15033	11.8
433.16049	8.8
451.17072	8.3
452.31232	4.8
469.03967	2.9
469.15112	1.8
469.20517	1.5
469.33752	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52705	2.5
53.03921	2.1
61.73236	1.9
69.03425	4.3
71.04993	3.3
71.56564	2.9
71.56960	2.2
75.68169	2.1
79.01853	5.0
79.05515	2.4
80.75359	2.0
81.03427	6.1
85.02919	5.8
89.03920	4.0
90.11050	2.2
94.82330	2.5
95.04962	4.0
97.02904	4.8
105.07024	100.0
109.02888	6.5
117.03349	3.3
118.88686	2.2
122.09659	44.2
125.02330	3.9
127.03879	5.5
135.04448	9.3
137.47710	2.2
143.03323	3.9
145.02831	5.4
153.01830	88.9
154.02158	13.6
154.05011	4.2
163.03894	29.5
171.02895	8.9
252.98038	9.9
254.05466	2.4
297.06046	4.8
315.07062	8.8
362.00671	2.3
363.01392	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	469.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.3
55.01873	2.3
55.05504	5.1
57.03437	3.1
59.05009	1.2
61.02937	1.5
67.05511	2.3
69.03420	11.4
70.06587	1.5
71.04991	7.3
71.57393	1.8
72.43620	1.1
75.04469	1.4
75.68692	1.2
78.56178	1.1
79.05504	2.7
81.03418	31.0
81.07050	8.6
83.05000	6.9
83.08619	2.7
85.02912	4.0
85.06554	1.9
86.09746	1.5
91.05480	3.8
93.07040	2.1
95.04962	2.6
95.08562	1.2
97.02911	1.3
97.06538	1.0
98.09714	3.6
99.04449	10.8
99.08105	2.0
100.07587	3.6
100.11265	6.9
104.10767	1.6
105.07021	3.2
107.08582	1.4
109.02885	10.7
111.04483	2.1
112.07642	1.4
116.10762	2.3
117.05472	3.2
118.06571	2.1
123.08054	1.2
127.03932	4.6
128.07037	1.4
133.02818	1.1
137.02368	1.2
138.05513	1.2
145.02847	1.7
145.07642	5.3
147.09174	9.3
147.11739	1.5
151.11150	1.2
153.01817	4.6
167.07037	1.1
173.07153	7.9
175.08672	10.7
177.05489	3.7
182.15424	7.4
184.07390	1.5
188.03795	3.3
191.08148	100.0
192.43336	1.2
192.78586	1.2
198.14909	8.0
199.08794	1.5
209.16614	1.4
210.14899	6.5
221.89944	1.2
226.14449	6.1
227.17552	2.5
231.11478	1.4
271.10727	3.0
289.11844	8.7
305.05362	1.9
307.12881	34.3
308.13382	1.4
325.13898	32.7
326.14203	1.7
331.12875	8.4
337.21255	4.1
342.27597	1.4
349.13870	6.7
354.23911	4.2
371.16080	1.9
389.17108	3.3
391.14697	1.2
397.13870	4.9
415.15033	11.8
433.16049	8.8
451.17072	8.3
452.31232	4.8
469.03967	2.9
469.15112	1.8
469.20517	1.5
469.33752	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	467.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	12.6
57.03430	2.4
57.07072	36.1
59.04990	4.5
62.32247	1.4
65.03953	2.2
67.05500	100.0
69.07064	9.7
71.03410	2.6
71.03787	1.7
71.04974	2.8
71.08625	24.6
79.05491	3.9
81.07049	27.8
83.08604	14.7
83.69113	1.5
85.06535	3.3
85.10176	14.3
89.06051	1.6
91.05476	6.8
93.07046	3.9
95.08601	31.9
97.10187	5.8
99.08041	1.5
105.07021	3.7
107.08620	3.4
109.10150	78.1
111.08084	3.9
119.08587	7.6
123.11722	4.5
129.12834	1.4
137.09630	5.2
137.13295	3.3
151.14822	1.6
153.01936	1.6
155.10701	4.8
160.86191	1.4
171.46107	1.5
173.11726	25.4
173.13150	2.7
178.56145	1.7
196.11829	1.5
221.22528	2.0
239.21698	1.5
239.23628	7.3
467.32547	2.9
467.37375	63.6
468.37985	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	467.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	11.1
57.07078	35.1
59.04984	2.9
65.03910	2.2
67.05503	100.0
69.07050	8.1
70.64463	3.1
70.64799	3.7
71.04987	2.8
71.08630	20.9
79.05483	4.2
81.07056	21.8
83.08598	12.1
85.06573	3.1
85.10183	12.3
91.05455	7.3
93.07046	5.1
95.08598	25.7
97.10169	5.9
97.35326	2.0
108.72375	1.8
109.10157	75.8
111.08070	4.5
119.08573	5.8
123.11689	4.9
137.09634	3.6
155.10677	2.3
173.11722	25.2
239.23648	6.4
283.17395	3.5
467.31168	3.3
467.37320	62.8
470.67349	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82263	1.1
54.55206	1.1
54.85486	1.1
55.05510	13.2
57.03431	1.2
57.07076	34.1
58.83525	1.4
59.04995	3.8
65.03931	2.9
67.05506	100.0
69.07072	9.7
70.01116	6.2
71.04992	1.5
71.08633	25.5
76.78503	1.2
79.05492	3.3
80.86966	1.3
81.07059	32.2
83.08622	16.8
85.06529	2.6
85.10191	13.7
91.05474	6.4
93.07050	3.9
95.08608	25.5
97.10182	6.3
99.11771	1.5
107.08614	2.6
109.10158	85.9
111.08055	2.3
114.59640	1.2
119.08535	6.2
123.11700	3.7
125.13253	1.5
137.09615	4.4
155.10709	1.5
168.29070	1.5
173.11746	27.1
239.23726	6.7
278.69931	1.6
399.46268	1.2
420.68381	1.2
467.37354	70.8
468.37674	3.4
491.83240	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01867	3.6
55.05497	4.3
57.03424	1.7
65.03909	1.6
67.05489	3.2
69.03423	6.7
69.07060	2.1
70.86449	2.4
70.86809	2.0
71.04967	2.3
73.02889	1.6
79.01841	4.0
79.05485	6.7
81.03417	9.7
81.07044	7.1
83.04975	1.6
83.08614	4.5
85.02907	6.3
89.03879	1.1
91.05470	9.1
93.07019	6.5
95.04955	3.7
95.08597	2.1
97.02891	5.8
98.81163	1.0
103.05490	1.5
105.07015	4.2
106.06575	2.0
107.04943	1.4
108.08103	4.6
109.02899	5.2
109.06487	1.5
111.08100	1.8
115.05455	3.2
117.07030	5.2
119.04931	1.2
119.08560	3.4
120.08064	1.2
121.06509	2.3
124.07568	2.2
125.02356	5.7
127.03882	7.6
128.06190	2.1
129.06966	4.7
131.08549	5.1
133.06497	1.1
134.79266	1.0
136.07600	7.6
137.02307	5.3
137.05940	4.0
138.05469	1.0
139.07512	1.6
141.06999	3.2
142.07751	1.8
143.03358	8.2
143.08525	3.9
145.06477	3.2
145.10121	2.2
147.08026	3.0
149.09554	1.3
151.03838	1.2
152.07068	4.7
153.01822	100.0
153.06900	1.3
154.02129	4.6
155.08534	1.6
157.06468	2.5
157.10112	2.0
159.08040	4.5
161.05916	1.3
161.09674	2.2
164.07077	1.7
165.07040	1.3
167.08592	1.2
169.10150	1.0
170.08101	2.8
171.08003	2.4
171.11700	1.5
173.09598	1.2
181.10083	1.2
183.08022	1.2
183.11549	1.3
185.09595	1.4
199.07425	1.6
199.15012	1.0
203.03462	2.0
203.71219	1.0
209.13356	1.5
210.09221	1.1
223.14771	1.5
227.14322	2.1
241.13556	2.1
241.15681	1.2
245.15340	2.4
254.10379	1.0
259.09665	3.5
259.14395	3.5
259.16959	2.6
269.12817	3.4
269.15308	1.3
287.13809	5.3
287.16501	2.4
305.02927	1.5
305.06470	1.8
305.14871	14.2
315.06973	2.1
356.25723	1.1
431.20352	1.7
449.21799	3.5
450.17435	1.9
467.11487	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62917	0.4
53.03939	0.7
55.01861	0.8
55.05512	1.0
57.03422	0.9
60.80143	0.4
67.05501	1.3
69.03429	3.0
69.07072	1.0
70.70341	1.4
71.04990	1.2
73.02917	0.6
78.04711	1.7
79.01849	4.3
79.05486	2.7
81.03412	2.6
81.07051	2.5
85.02885	2.2
86.09746	0.5
87.04461	0.7
91.05476	2.9
93.07038	1.9
94.04196	0.6
95.04946	1.2
95.08622	0.7
97.02917	2.0
99.04471	0.6
99.08113	0.7
99.67198	0.5
103.05453	0.5
105.07034	2.5
106.04182	1.3
107.01308	1.2
107.04947	2.6
107.08574	0.8
109.02884	1.5
109.06544	0.5
109.10162	0.7
111.04482	0.5
115.03974	0.4
115.05480	0.4
117.07012	1.1
119.04934	0.7
119.08585	1.0
120.08166	0.5
121.06496	1.6
123.04446	4.1
124.05200	1.3
125.02342	2.6
125.05990	0.5
126.09144	2.8
127.03903	1.6
129.07054	0.6
131.08583	1.0
133.06482	1.8
133.10100	0.9
134.03671	0.4
134.18948	0.5
135.04449	0.6
135.08011	0.5
136.07605	0.5
137.05962	1.2
137.09702	0.4
140.93198	0.5
143.03403	6.3
143.08603	0.6
144.04784	0.7
145.02872	0.4
145.06580	0.4
145.10121	0.8
147.08034	0.7
149.05971	2.0
152.04675	1.5
153.01826	66.3
153.02846	2.7
154.02153	3.4
159.08041	0.6
161.06001	1.3
162.05482	1.4
163.03958	2.2
166.06212	0.5
167.07037	100.0
168.07396	2.0
179.06949	0.7
180.06473	1.0
181.08594	2.0
181.10004	0.5
184.07426	0.6
185.09621	0.6
189.09146	0.7
193.08588	4.9
209.08105	1.3
211.09634	4.4
237.03831	0.6
241.10649	0.9
259.17120	0.8
267.12244	1.9
287.13818	0.6
297.06256	0.6
303.04968	1.0
304.05450	0.6
305.05594	0.9
305.14917	1.5
467.16830	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	467.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.4
51.02375	0.6
53.03933	0.5
55.01871	0.9
55.05513	0.8
57.03422	0.5
61.02921	0.2
65.03922	0.2
67.05496	1.8
69.03430	2.0
69.07056	0.6
69.53086	0.6
69.53515	0.6
71.04993	1.4
73.02885	0.3
73.92964	0.1
79.01852	5.5
79.05131	0.2
79.05499	2.0
79.65272	0.2
80.02185	0.2
81.03416	2.7
81.07053	1.8
83.04948	0.4
83.08626	0.4
85.02902	2.2
85.06519	0.5
86.03219	0.2
87.04455	1.0
91.05476	3.7
93.07045	1.8
95.04954	0.9
95.08617	0.8
97.02888	2.6
97.06522	0.6
99.04453	0.6
99.08091	0.3
103.05437	0.3
105.07028	2.3
106.06574	0.3
107.01317	1.3
107.04953	1.0
107.08599	1.0
109.02847	1.6
109.06472	0.5
109.10166	0.3
111.04453	0.3
111.08084	0.3
113.05990	0.2
115.03925	0.6
115.05431	0.3
116.07144	0.2
117.07036	0.9
119.04932	0.3
119.08562	0.9
120.08134	0.2
121.06516	0.8
121.10094	0.5
123.00784	0.3
123.04417	0.5
123.08040	0.3
125.02344	4.2
127.03911	3.5
128.06221	0.6
129.06993	1.3
131.04871	0.2
131.08571	1.8
133.06503	0.4
133.10129	0.9
135.04385	0.2
135.08044	0.4
137.02359	0.3
137.05943	1.2
139.03896	0.3
141.06969	0.9
142.07735	0.3
143.03389	8.8
143.08551	1.0
144.03743	0.5
145.04904	0.2
145.06493	0.5
145.10120	1.0
147.08047	0.5
147.11703	0.2
149.06059	0.3
149.09581	0.4
151.07558	0.3
151.11195	0.4
153.01823	100.0
153.02806	3.8
154.02150	4.1
154.08633	0.7
155.07272	0.2
155.08577	0.8
157.06500	0.3
157.10106	0.6
159.08058	0.6
159.11760	0.2
161.09558	0.2
165.01804	0.3
165.06982	0.6
166.07762	0.2
167.07156	0.3
167.08557	1.0
169.06456	0.2
169.10097	0.6
171.02911	0.3
171.08034	0.4
171.11658	0.4
173.09615	0.6
173.13333	0.4
175.11192	0.3
175.14633	0.2
177.05414	0.3
177.09056	0.2
178.07895	0.2
179.07085	0.3
179.08586	0.6
181.04993	0.4
181.10098	1.0
183.02844	0.3
183.08098	0.3
183.11736	0.3
185.09668	0.6
185.13158	0.3
186.06540	0.2
187.07585	0.2
191.03433	0.3
191.14296	0.2
193.08505	0.2
193.10135	0.2
195.02908	0.3
195.11656	0.3
197.09639	0.8
197.13257	0.3
199.07529	0.2
199.11168	0.4
199.14880	0.2
201.09016	0.2
203.10760	0.2
205.10286	0.2
209.09550	0.4
209.13254	0.4
211.11261	0.2
211.14819	0.3
213.03966	0.7
215.10643	0.2
223.14789	0.3
227.10596	0.3
227.14336	0.2
229.04832	0.2
233.04465	0.2
233.13293	0.5
237.03951	0.2
239.14409	0.3
241.15919	0.4
243.13763	0.2
245.15419	0.5
251.14273	0.3
253.15842	0.3
259.16940	0.4
261.03967	0.4
269.15314	0.6
279.05099	0.5
287.13483	0.3
287.16452	0.9
297.06281	0.3
303.01987	0.2
303.05035	2.1
304.05331	2.3
305.05530	3.9
305.17505	0.3
315.07227	0.2
449.07193	0.4
449.21707	0.4
467.09073	0.2
467.15195	0.4
467.22415	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.8
53.44690	0.4
56.96555	0.4
69.03427	4.6
71.56955	0.5
79.01855	4.6
80.81567	0.4
81.03421	2.1
82.05913	0.6
85.02895	0.8
97.02905	2.6
99.05633	0.5
107.01301	1.4
109.02897	0.9
125.02360	4.0
127.03893	2.4
137.02325	0.8
143.03384	8.8
145.02826	0.6
153.01822	100.0
153.02834	4.1
154.02092	0.9
163.03836	0.5
171.02861	0.9
175.03917	0.9
188.16997	0.5
191.03354	1.0
201.22119	0.4
219.02875	0.5
221.00815	0.6
231.02698	0.5
237.03874	1.0
247.02367	0.5
275.01929	0.8
276.02737	0.4
277.03488	0.8
279.04236	0.8
295.16098	0.5
297.06042	1.2
303.01270	3.5
304.01532	0.5
462.48392	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.8
53.03931	1.8
55.01350	0.6
55.01856	2.6
55.05501	2.0
56.77182	0.7
57.03442	1.0
60.74326	0.7
67.05497	5.0
69.03436	4.1
69.07047	2.5
69.33434	7.1
71.04978	1.8
73.02916	0.8
79.01842	5.3
79.05494	4.7
81.03416	7.3
81.07054	9.3
83.04985	2.1
85.02902	8.2
85.06540	2.6
85.53203	0.7
87.04467	0.8
91.05477	3.9
93.07017	3.5
95.04953	2.6
95.08605	5.2
97.02892	3.7
97.06521	4.5
99.04407	1.2
99.08096	1.8
105.07021	2.7
107.01308	1.4
107.08592	4.4
109.02894	4.7
109.10146	2.2
117.07021	1.0
119.04944	1.5
119.08574	1.6
121.06544	1.2
121.10138	1.9
123.04361	1.4
123.08070	0.9
125.02349	3.0
125.09653	1.0
127.03914	5.9
131.08519	1.6
133.10132	1.3
137.02328	0.9
139.03903	1.9
143.03394	7.4
143.08595	0.9
145.04903	0.9
145.06479	1.9
145.10129	1.0
147.04381	2.1
147.08032	0.9
149.13324	0.9
151.11203	0.9
153.01826	100.0
153.12718	0.7
154.02260	1.1
159.04427	1.5
161.06033	0.9
161.09581	1.2
163.03865	0.8
163.07527	1.0
165.01817	1.2
165.04120	0.7
165.05501	1.8
171.02908	3.5
173.06023	2.4
173.13171	1.2
177.05463	2.4
179.03418	1.5
181.04948	1.5
181.06490	0.8
183.02887	2.7
185.05968	1.3
189.05450	1.8
191.03368	1.2
191.07011	1.3
193.04958	4.6
199.07526	0.8
201.05519	2.1
203.07072	1.6
205.04915	6.5
205.08284	0.8
207.06554	2.4
209.04456	2.7
213.05507	1.1
217.04982	1.8
219.06519	2.9
221.04587	1.3
227.07057	1.7
231.06520	2.5
261.14960	0.7
269.11761	1.9
287.12799	4.4
287.15689	0.9
297.06097	3.8
305.13821	18.8
306.14462	0.7
311.76315	0.7
323.14899	2.2
448.82623	0.7
467.18875	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.5
51.02368	0.8
53.03934	0.6
55.01856	0.7
55.05506	1.3
57.03428	0.4
57.07046	0.3
61.02885	0.3
67.05504	2.0
67.48266	0.2
69.03420	3.0
69.07066	1.7
70.19537	0.2
71.04987	0.8
71.58157	0.3
73.53250	0.2
79.01849	6.7
79.05496	1.4
81.03415	3.3
81.07055	4.9
83.04966	0.8
83.08607	0.5
85.02909	1.5
85.06540	0.6
86.01025	0.2
87.79309	0.2
88.04820	0.2
90.15483	0.2
91.05465	1.0
93.07061	2.3
95.04946	1.0
95.08601	2.6
97.02883	3.1
97.06551	0.6
97.10157	0.4
99.04425	0.5
100.11242	0.4
103.05440	0.2
105.07027	1.9
107.01316	1.5
107.04913	0.3
107.08587	1.8
109.02888	1.8
109.06510	0.5
109.10161	1.5
111.04414	0.5
111.08059	0.4
115.03871	0.3
117.07013	0.6
119.04971	0.2
119.08573	1.8
121.06500	0.4
121.10116	1.5
123.00807	0.3
123.08060	0.5
123.11691	0.9
125.02348	4.6
125.03250	0.3
127.03914	2.4
129.06995	0.4
131.04887	0.3
131.08556	0.9
133.04980	0.4
133.06487	0.2
133.10129	1.1
135.08015	0.5
135.11650	0.8
136.07610	0.4
137.05971	0.6
137.09599	0.4
137.13280	0.2
139.11272	0.3
143.03394	8.7
143.08542	0.6
145.05009	0.2
145.10120	0.6
147.11693	0.8
149.09621	0.5
149.13260	0.6
151.07497	0.3
151.11191	0.3
153.01825	100.0
153.02800	3.7
154.02132	0.9
154.74062	0.3
157.10107	0.5
159.08092	0.3
159.11676	0.8
161.09511	0.3
161.13243	0.8
163.07544	0.3
163.14803	0.3
164.07050	0.4
165.09193	0.3
165.12703	0.4
168.10152	0.3
171.02916	1.1
171.11684	0.5
173.09575	0.3
173.13268	0.5
175.14842	0.3
177.09064	0.2
183.11693	0.2
185.13292	0.3
187.11180	0.3
187.14798	0.3
189.16386	0.3
199.14824	0.4
201.16374	0.3
269.17484	0.8
270.17847	0.3
287.23724	0.3
297.06000	1.4
305.21143	0.3
305.24619	0.3
339.76901	0.2
396.54132	0.2
449.29800	0.5
467.08560	0.5
467.22696	0.9
467.31500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.4
51.02375	0.7
54.34021	0.2
55.01847	0.2
56.58271	0.2
69.03428	0.3
69.41034	0.2
69.56424	1.4
71.05002	0.2
79.01401	0.3
79.01852	5.1
79.05476	0.3
79.19997	0.2
81.03403	0.6
85.02914	0.2
85.99734	0.2
91.05490	0.3
93.07064	0.2
97.02901	1.1
105.06962	0.2
107.01322	0.9
109.02911	0.4
117.07048	0.2
123.00797	0.2
125.02345	3.9
127.03916	2.6
143.03392	7.9
145.10146	0.2
153.01825	100.0
153.02803	3.7
154.02184	0.6
188.29054	0.2
195.02885	0.2
213.03990	0.8
261.03943	0.3
279.04825	0.4
297.06000	0.2
303.05109	0.3
305.05362	0.2
315.07004	0.4
433.66815	0.2
464.78802	0.2
467.08508	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.2
51.02372	0.6
53.03942	0.3
55.01859	0.5
55.05494	0.3
67.05491	0.7
69.03423	1.7
69.07063	0.3
69.99316	0.5
69.99731	0.6
71.04988	0.5
71.86240	0.2
79.01857	6.2
79.05495	1.1
81.03424	1.6
81.07072	0.9
85.02906	0.5
87.04471	0.5
91.05487	1.0
93.07027	0.8
95.04960	0.5
95.08641	0.4
97.02892	1.7
99.04471	0.5
105.07036	1.1
107.01311	1.3
107.04933	0.3
107.08609	0.7
109.02878	1.4
115.03912	0.3
117.07015	0.4
119.08595	0.6
123.00790	0.4
125.02356	3.8
127.03920	2.4
129.06978	0.5
131.08549	0.6
133.06540	0.2
133.10088	0.7
137.06017	0.6
143.03395	9.2
143.08554	0.3
145.10124	0.5
149.06041	0.2
153.01825	100.0
153.02805	3.8
154.02145	0.6
155.08527	0.3
157.10097	0.2
161.09634	0.3
163.07509	0.2
167.07060	0.2
173.13239	0.3
191.03326	0.5
195.11571	0.2
209.04570	0.2
233.04431	0.2
237.03914	1.2
261.03958	0.5
263.16635	0.2
279.05124	0.4
287.16675	0.2
297.05972	0.9
303.05325	0.2
305.17432	0.4
444.00806	0.2
449.07135	0.8
467.08414	0.3
467.18857	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	0.2
51.02371	0.7
53.00304	0.2
53.03925	0.2
53.38120	0.2
55.01856	0.3
55.05504	0.3
67.05472	0.2
69.03428	1.1
70.73295	0.2
70.73631	0.3
70.96186	0.1
71.04969	0.2
79.01847	5.9
79.05480	0.4
81.03414	1.2
81.07043	0.3
85.02911	0.3
86.71822	0.1
91.05479	0.5
93.07019	0.2
95.01280	0.2
95.04951	0.2
97.02892	1.5
105.07048	0.3
107.01299	1.5
107.04998	0.2
109.02869	1.0
109.06508	0.2
117.06994	0.3
119.08594	0.2
125.02348	4.2
127.03899	1.8
129.06940	0.4
131.08588	0.2
143.03386	9.3
148.00537	0.2
153.01817	100.0
153.02803	3.8
154.02136	0.8
158.69949	0.2
159.08046	0.3
163.03909	0.2
167.07083	0.8
171.02907	0.3
171.08043	0.3
191.03381	0.5
219.02899	0.3
230.78073	0.2
237.03920	1.6
261.04022	0.2
279.05051	0.6
287.05484	0.3
297.05930	0.5
303.05072	0.2
361.02969	0.2
449.07397	0.8
467.09012	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78080	0.3
51.02381	0.9
55.01873	0.5
61.51263	0.3
67.05494	0.9
69.03433	3.4
69.07060	0.3
69.49028	1.0
69.49461	1.5
71.04998	0.6
73.02917	1.8
79.01855	6.5
79.05490	1.6
81.03415	1.8
81.07059	1.8
83.04962	0.3
85.02917	1.3
85.06545	0.4
87.04455	0.4
91.05470	1.7
93.07045	1.3
95.04945	0.6
95.08602	0.7
97.02888	2.4
97.06534	0.7
98.20758	0.6
99.04423	0.5
105.07014	1.3
107.01322	1.5
107.04976	0.4
107.08583	0.9
109.02883	1.3
109.06532	0.4
109.10166	0.4
111.04416	0.3
113.34692	0.3
115.03927	0.3
115.05489	0.3
116.98604	0.3
117.07003	0.8
119.04908	0.3
119.08573	0.7
121.06500	0.4
121.10126	0.8
125.02354	4.3
127.03932	2.9
128.06244	0.5
129.06981	0.6
131.08583	1.2
133.10126	0.7
135.08044	0.4
137.02345	0.5
137.05981	1.2
143.03395	8.8
143.08507	0.5
145.10117	0.6
149.13354	0.3
153.01830	100.0
153.02814	4.0
154.02147	0.6
155.08566	0.5
157.06529	0.3
157.10106	0.4
159.08067	0.4
161.09642	0.3
163.03828	0.6
165.01820	0.7
169.10103	0.3
171.02875	0.6
173.13264	0.4
176.50105	0.3
177.05429	0.7
181.01282	0.7
181.10110	0.4
183.02921	0.4
191.03413	1.0
195.03011	0.5
197.09644	0.4
207.02888	0.5
209.04437	0.4
219.02853	0.4
227.14380	0.3
233.04532	0.4
237.03949	0.9
240.96439	0.4
266.58200	0.4
269.15314	0.5
285.04065	0.4
287.16391	0.4
297.06055	0.7
300.19382	0.3
303.05057	2.3
304.05319	1.9
305.05594	4.2
327.33948	0.3
361.64850	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85284	1.1
55.01860	2.8
57.03427	5.1
61.02924	3.1
67.05500	5.0
69.03431	10.1
69.07055	4.8
70.34843	1.4
71.04984	1.4
73.02923	11.8
74.25282	1.6
75.32777	1.4
79.01865	3.6
79.05508	10.7
81.03415	3.6
81.07056	100.0
85.02420	2.3
85.02898	21.3
87.04475	3.0
87.56821	1.4
93.07039	2.6
95.08608	19.0
97.02889	15.7
105.07059	1.7
107.08645	1.7
109.10152	2.6
115.03939	7.7
125.02319	2.2
127.03905	8.9
133.04955	10.0
137.13260	21.9
143.03400	3.3
145.04962	7.4
153.01834	57.9
153.02928	2.6
163.05992	4.4
195.24736	1.5
232.99034	1.4
236.31664	1.2
241.06979	1.7
259.07953	1.5
400.89920	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.05494	2.3
57.03434	7.2
57.07063	2.9
61.02924	2.4
66.98659	1.2
67.05489	4.1
69.03429	22.6
69.07064	6.1
71.10017	1.7
71.10404	1.2
73.02913	10.1
79.01829	1.1
79.05491	7.5
81.03413	2.5
81.07050	100.0
82.07362	1.4
85.02901	19.8
85.06518	0.9
87.04465	10.5
91.05476	1.9
93.07026	2.1
95.04924	1.2
95.08603	21.5
97.02289	1.4
97.02892	21.9
99.04421	1.8
107.08575	1.4
109.02849	2.2
109.10139	2.7
111.04497	0.9
111.11720	1.5
115.03175	1.7
115.03935	26.5
119.08650	0.8
125.02328	2.0
127.03889	5.7
133.04955	25.4
137.13252	20.9
143.03439	1.6
145.04976	6.0
145.10165	0.9
149.13298	1.4
150.07593	3.2
152.01515	0.9
153.01825	22.9
155.14320	2.0
163.06023	2.8
223.05809	1.0
251.16454	1.0
259.08148	1.8
391.74316	1.0
467.21942	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.1
55.01856	6.0
55.05508	42.6
57.03437	25.5
57.07053	2.9
59.04993	2.5
65.03944	3.7
66.32427	2.7
67.05505	100.0
67.77426	2.6
69.03414	7.8
69.07069	24.9
69.50565	19.8
71.01341	4.5
71.04979	12.9
79.05491	95.5
81.03414	76.1
81.07055	62.9
83.04984	23.7
83.08613	31.1
85.02908	35.9
85.03383	4.4
85.06535	5.4
91.05480	71.8
93.07036	80.5
95.04960	52.8
95.08613	24.2
97.06541	16.9
97.10168	22.7
99.08092	4.4
105.07022	34.4
107.04951	9.0
107.08590	51.3
109.06519	9.2
109.10110	12.4
110.25855	2.7
111.08070	14.5
117.07013	11.7
119.08578	31.7
121.06485	4.6
121.10145	18.5
123.08039	5.3
123.11717	3.5
125.09592	7.2
129.07013	15.5
130.51239	2.6
131.08545	11.8
131.34344	2.4
133.06465	3.8
133.10123	14.6
135.08029	5.7
135.11679	70.4
137.09619	5.4
140.07326	2.6
141.06927	3.2
142.07802	3.8
145.10150	17.0
147.08009	4.8
147.11696	19.8
149.09558	8.6
153.12677	3.0
157.10091	13.9
157.62529	2.8
159.11662	3.5
163.11160	13.6
165.12712	4.8
175.11180	22.0
181.12233	11.2
182.86954	2.5
193.12239	69.4
211.13287	68.8
237.14874	2.9
248.84856	3.1
255.15800	4.4
284.90494	3.0
285.16653	2.6
329.20963	7.2
347.22147	3.3
355.22656	5.5
373.23788	11.0
403.24783	5.1
447.27118	6.6
465.28467	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	465.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30260	3.0
53.03942	5.5
55.01866	7.4
55.05514	37.2
57.03435	23.1
57.07057	4.4
64.60307	3.3
67.05506	100.0
68.05841	4.9
69.03419	11.0
69.07071	32.7
71.01354	4.7
71.04986	11.8
71.16920	2.7
73.10198	2.7
79.05492	87.1
81.03420	60.0
81.07058	72.4
83.04986	25.1
83.08619	27.7
85.02905	29.3
85.06531	7.2
91.03984	2.7
91.05486	65.0
93.07045	79.0
95.04964	53.3
95.08601	35.7
97.02879	6.5
97.06512	19.5
97.10172	18.6
98.21523	6.5
99.08074	4.8
105.07024	35.1
107.04953	10.3
107.08593	45.9
109.06548	10.6
109.10156	17.4
111.08091	15.2
112.05846	3.0
117.07014	12.9
119.08590	30.3
121.06510	7.1
121.10136	24.8
123.08114	4.9
123.11709	3.4
125.09618	4.0
129.07002	12.8
131.08551	15.2
133.10139	25.2
135.08066	7.8
135.11696	57.2
137.09578	4.0
145.06523	3.3
145.10118	20.0
147.11691	21.3
149.02357	7.0
149.09612	8.1
149.13260	5.0
155.08548	5.1
157.10149	14.8
159.11684	5.8
163.11230	10.8
165.12761	3.2
169.10051	4.5
173.13252	3.6
175.11211	18.6
181.12277	9.7
187.11064	3.5
189.11108	4.9
193.04990	7.6
193.12253	51.9
201.12982	3.3
211.13298	46.0
237.07590	7.2
256.26382	6.7
289.38254	3.9
303.04776	13.8
329.21237	5.8
344.92752	3.6
349.16867	4.1
355.23053	3.8
373.23746	11.1
403.24683	3.2
429.33609	6.9
447.27689	6.5
465.28403	59.7
466.31873	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	465.261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.3
55.01870	12.7
55.05513	22.2
56.96566	3.8
57.03445	9.9
57.07069	9.4
59.95217	1.7
64.53162	1.6
67.05510	14.8
69.07069	26.5
69.44143	4.4
69.44550	14.4
71.08629	4.3
73.02927	5.0
79.05476	10.5
81.03413	2.9
81.07051	19.3
83.08614	21.3
85.10135	2.1
90.05840	1.7
90.31767	2.0
91.05433	3.4
93.07033	10.6
95.04953	3.9
95.08616	6.8
97.06524	2.8
97.10168	10.7
98.98463	47.1
107.08582	6.3
109.10149	4.3
111.08096	2.3
111.11720	3.1
115.88211	1.7
116.99478	2.5
121.10161	7.5
123.11708	5.2
129.05469	2.1
133.10104	2.4
135.11679	4.0
137.00012	3.4
149.04935	1.8
155.01041	43.4
195.03381	2.0
213.04344	2.9
219.21049	3.4
229.04607	2.7
237.22168	8.2
262.93704	2.0
297.06573	4.2
303.05087	4.7
311.25790	100.0
312.26184	2.7
355.26328	2.1
435.90198	2.1
447.24939	13.3
465.30276	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01869	1.9
57.03434	3.0
59.67189	1.0
61.02920	3.2
67.05479	1.1
69.03420	7.5
69.65501	7.5
71.05003	1.4
79.05480	2.0
81.03397	3.5
81.07042	3.9
83.04977	1.2
85.02910	12.5
86.68697	1.2
91.05479	5.2
91.51246	1.1
93.07034	5.1
95.04974	3.6
95.08573	1.6
97.02886	3.9
99.04448	1.8
103.05463	1.8
105.07021	2.6
107.04944	3.2
107.08567	1.9
109.02857	3.3
109.06517	1.4
109.10148	1.7
111.00826	1.4
117.07022	1.2
119.08607	1.4
121.02870	1.5
121.06490	4.7
123.04468	2.9
125.02291	1.7
127.03919	3.5
129.07016	3.6
131.04898	1.5
131.08611	1.3
135.11659	1.6
137.02327	3.4
137.05980	4.7
143.03381	1.7
145.04988	1.9
147.08130	1.3
149.02338	2.1
151.07556	2.8
153.01833	19.2
153.05363	1.2
153.12761	2.9
155.07030	2.2
157.04988	1.3
157.06424	1.4
158.76863	1.2
161.05983	7.5
162.06836	1.1
165.01860	2.6
166.97787	1.0
167.07008	12.2
173.05968	1.4
174.06683	1.1
175.07582	2.7
177.09111	7.8
179.06950	1.3
181.08630	7.8
183.02954	1.6
183.06482	1.6
188.03738	1.3
189.09120	7.0
191.07034	1.6
201.05421	1.6
207.10132	2.2
209.07919	1.4
219.10083	1.5
223.07680	1.4
225.09093	1.7
229.05017	7.3
257.04459	4.6
259.02408	2.1
277.03442	3.7
285.03900	1.9
285.11209	1.8
303.04996	100.0
304.05347	3.9
315.12207	1.9
317.13763	2.5
329.13675	2.1
343.15353	3.1
359.14847	2.0
360.15561	2.4
361.16422	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	465.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75358	0.8
53.03939	1.1
53.84119	0.9
55.01904	1.1
55.05496	1.0
57.03440	1.8
58.55478	0.9
59.04996	1.2
61.02894	1.0
65.03941	0.8
67.05508	2.4
68.99802	0.9
69.03426	5.7
71.04988	1.7
71.57521	1.2
71.57909	1.1
73.02926	15.7
79.05490	2.6
81.03430	5.2
81.07042	4.2
85.02902	7.0
87.04459	1.1
89.03927	5.3
91.05481	3.6
93.07052	2.9
95.04953	1.7
95.08632	2.1
97.02890	1.6
99.04449	3.9
105.07047	3.4
107.08595	2.6
109.02875	3.7
109.10121	1.5
111.04396	1.0
117.03382	15.1
119.08598	2.1
121.02914	1.3
121.10171	1.4
123.04427	1.4
127.03922	29.1
131.04971	1.2
131.08516	1.6
133.06444	0.9
133.10094	1.2
135.04463	1.1
135.11659	1.0
137.02338	4.9
137.05988	2.5
137.09547	1.1
145.02853	37.0
145.10101	1.2
146.03345	1.0
147.08110	1.5
147.11702	1.4
149.06029	4.4
149.09666	1.5
153.01843	6.5
157.10149	1.1
161.06006	2.2
161.09581	1.2
163.03920	2.1
165.01855	2.1
167.07059	1.4
177.05478	78.1
178.05830	2.0
181.08569	1.5
183.02899	1.4
186.05486	1.6
187.14717	1.0
189.09151	1.1
193.68948	1.0
201.05446	1.8
204.29530	0.9
219.10275	1.1
229.04944	3.0
231.02966	0.9
257.04440	3.0
277.03323	1.8
303.04987	100.0
303.13379	4.1
304.05356	3.4
315.04962	9.1
321.09601	5.2
339.10867	1.6
361.16345	1.3
405.06094	4.0
465.18304	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.5
55.01867	15.1
55.05500	14.3
57.03423	9.4
59.05000	4.7
61.02912	3.4
67.05508	28.7
69.03432	40.5
69.07073	24.0
71.04987	10.3
71.49911	7.8
73.02896	3.7
79.05487	31.5
81.03416	40.8
81.07062	43.3
83.04964	15.0
83.08619	6.4
84.04469	3.3
85.02899	51.9
85.06545	7.3
87.04476	5.4
91.05478	39.9
93.07040	74.0
93.07629	4.7
95.04969	28.8
95.08620	32.6
97.02888	20.0
97.06529	10.8
97.10149	10.0
99.04456	11.3
103.05444	9.2
105.07037	39.6
107.04947	9.7
107.08597	30.8
109.02878	20.5
109.06497	11.1
109.10165	22.3
111.04443	13.7
111.08051	10.0
115.05430	3.9
116.06205	3.6
117.06994	13.0
119.04938	9.0
119.08567	24.0
121.06495	12.7
121.10113	16.0
123.04430	5.9
123.08061	11.1
123.11676	6.9
125.05956	4.4
125.09684	6.0
127.03893	24.6
128.06245	6.2
129.07004	12.1
131.04887	11.6
131.08575	11.6
133.06493	13.6
133.10104	14.1
135.04381	3.1
135.08046	7.9
135.11700	17.9
136.12030	4.4
137.02394	7.2
137.05981	33.7
137.09627	6.6
139.07532	17.5
139.11174	7.1
141.06984	9.5
143.08528	14.3
145.04974	7.4
145.06459	16.5
145.10127	13.6
147.04399	4.1
147.08029	10.4
147.11676	13.4
149.05981	4.1
149.09631	8.3
149.13239	5.6
151.07556	29.4
151.11179	5.4
153.01845	22.6
153.07018	6.5
153.12717	4.4
153.58966	3.3
155.08540	9.0
157.06509	8.0
157.08560	2.9
157.10120	7.7
159.11717	12.9
161.05981	10.2
161.09595	9.8
161.13249	5.3
163.03896	4.0
163.07520	12.2
163.11151	3.8
165.01833	5.7
165.06998	5.1
166.07706	4.6
167.07079	3.3
167.08527	4.5
169.06480	10.2
169.10178	8.4
171.08084	13.9
171.11690	6.7
173.13248	4.3
175.07582	45.5
175.11101	4.8
175.14813	5.6
177.05412	4.2
177.09088	48.7
179.07018	3.4
179.08467	5.6
179.10684	3.6
181.01309	6.7
181.06555	9.1
181.10182	6.8
182.07251	5.1
183.08051	14.6
183.11665	7.1
184.08852	4.6
185.09628	12.9
185.13264	5.4
187.07556	12.7
187.11108	5.6
189.09129	11.7
190.09602	3.9
191.07024	12.2
193.08675	5.4
195.08101	8.9
195.10185	11.8
197.09618	14.9
199.07635	6.4
199.11119	8.0
201.05455	5.8
201.09140	17.8
201.12814	3.8
203.10638	10.9
205.08467	3.9
207.08157	6.9
209.09627	13.9
210.06856	4.0
211.02328	4.9
211.07619	10.0
211.11162	8.1
213.09129	12.1
213.12675	4.1
214.10025	4.5
215.10687	23.8
215.14226	3.3
217.08543	6.9
217.12158	7.9
219.10121	38.3
219.11978	4.5
223.11140	6.7
225.09183	7.5
225.12752	6.0
226.09874	5.9
227.10690	13.5
229.05049	9.2
229.12201	14.0
231.02834	4.6
231.10074	8.3
231.13806	25.5
235.02425	6.4
235.11221	16.0
239.10742	7.8
241.08640	4.1
241.12251	29.7
243.10187	4.5
243.13812	7.9
251.10747	3.8
253.12212	11.1
255.06715	3.5
255.09889	5.7
255.13803	4.7
257.04388	9.2
257.11725	14.9
257.15399	4.6
259.02390	6.3
259.10892	4.9
259.13321	49.8
263.01855	4.4
267.06482	7.7
267.13785	11.6
271.09628	4.4
273.15054	4.6
275.16388	5.7
277.03400	15.9
279.13577	3.8
283.13324	10.6
285.12192	6.4
285.14944	44.0
285.22012	4.1
287.16428	5.8
295.06003	10.5
297.07642	6.8
301.14478	7.4
303.01581	6.7
303.04959	100.0
303.15924	75.0
303.23087	6.5
304.05365	8.2
313.07059	11.6
315.05020	24.5
315.08447	5.3
323.05441	8.5
325.07083	6.1
327.15958	7.9
341.06662	18.1
351.04916	8.7
359.07550	10.5
369.05997	6.7
393.28391	3.4
405.06097	5.0
411.18069	6.9
429.19131	11.4
447.20206	8.3
447.27258	6.4
465.07660	5.0
465.21075	8.9
465.28513	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	465.1026
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
52.81821	0.7
59.82642	0.7
61.02928	6.1
65.01508	0.7
68.99770	0.9
70.04832	3.0
70.05240	1.7
73.02894	1.7
85.02899	4.3
91.03938	3.1
97.02872	2.3
111.00792	1.0
124.25546	0.7
127.03893	0.9
137.02335	3.8
141.45535	0.7
153.01854	3.0
165.01843	1.5
179.20184	0.7
183.71788	0.8
201.05472	1.7
214.07014	0.7
226.70602	0.7
229.04939	3.7
247.05948	0.9
257.04456	2.7
257.25613	0.7
266.11371	0.7
285.03925	1.5
303.04987	100.0
304.05338	1.4
345.05862	0.8
430.37418	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1023
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
57.03407	1.1
57.73141	0.8
57.73423	0.6
61.02906	1.6
68.99791	1.6
69.03432	3.8
70.05012	1.2
70.05402	1.5
73.83982	0.7
74.01127	0.6
76.22413	0.6
81.03403	1.8
85.02911	10.3
87.40616	0.6
89.68365	0.6
97.02905	3.2
98.21438	0.9
109.02886	1.4
111.00803	0.7
116.92146	0.6
120.34097	0.6
121.02843	1.5
127.03889	2.8
134.90869	0.7
137.02322	4.7
145.04973	1.8
153.01775	4.1
163.03947	0.8
165.01804	1.8
183.02930	0.7
201.05521	2.5
229.04955	5.8
233.46184	0.8
257.04410	3.4
285.03845	1.1
303.04980	100.0
306.13116	0.8
487.82968	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1027
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
58.32190	0.6
68.99819	0.6
69.98690	1.2
69.99110	2.7
70.51852	0.5
73.02917	21.6
78.66456	0.6
81.03398	1.1
85.02906	3.6
85.85564	0.6
87.04476	1.4
88.55215	0.6
94.83658	0.6
97.02885	0.9
99.04457	1.3
111.00753	0.7
117.05443	1.0
121.02876	1.2
127.03864	0.7
137.02327	2.9
153.01831	4.5
165.01846	2.1
201.05511	1.1
229.04974	4.2
257.04471	2.4
274.04761	1.0
285.03894	0.9
303.04990	100.0
304.05301	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1026
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03934	1.0
55.01868	1.4
57.03411	0.9
57.10910	0.6
58.46154	0.6
61.02909	1.6
67.05482	0.6
68.99765	0.8
69.03429	4.4
70.74989	1.6
70.75348	0.9
71.04970	0.9
71.17352	0.6
73.02909	0.6
78.58693	0.6
79.05488	1.6
81.03417	3.5
81.07040	0.7
85.02434	0.9
85.02899	11.1
87.04456	0.8
91.05447	1.1
95.05000	0.9
97.02879	3.0
99.04421	1.0
103.05479	0.7
107.04945	0.9
109.02863	2.2
111.00777	0.9
111.07951	0.8
111.33485	0.6
121.02861	1.6
121.88798	0.7
127.03913	2.2
131.04849	1.0
135.04370	0.8
136.07533	2.4
137.02290	3.6
137.06027	1.3
139.07545	1.4
145.04953	1.6
149.02351	1.2
153.01801	6.9
159.04344	0.6
161.05966	9.1
161.09596	1.7
163.03926	1.2
164.07043	3.8
165.01851	2.1
167.07013	1.8
173.06015	1.0
187.03929	0.8
189.09067	5.0
201.05446	2.5
207.10146	6.3
229.04977	5.2
231.02957	0.7
244.02357	0.8
247.06012	1.4
257.04510	3.8
274.04742	1.1
277.03354	1.0
285.03833	1.8
303.04968	100.0
304.05255	1.3
308.06403	0.6
345.05975	1.1
361.16296	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08783	0.8
53.03927	1.7
53.08950	0.8
57.03427	1.3
59.09525	0.9
60.93663	0.8
64.31155	0.8
69.03426	7.6
70.15437	4.1
71.01337	0.9
71.04992	0.9
73.02907	3.4
81.03413	3.5
85.02917	5.0
87.04441	0.8
87.09969	0.9
88.70819	0.7
91.05490	1.0
97.02907	1.2
103.05502	1.0
109.02873	2.0
114.49423	0.8
126.85970	0.8
127.03910	10.0
131.04932	0.9
147.04407	1.6
157.02834	1.4
170.72893	0.8
171.21019	0.9
175.03885	2.8
185.02327	2.4
187.03946	6.2
191.03409	1.7
201.01752	1.6
203.03400	4.2
213.01865	5.5
215.03369	4.0
229.01324	2.5
230.02129	0.9
231.02867	24.7
241.01358	4.2
247.02332	3.8
257.00821	2.1
259.02390	38.0
260.02414	0.8
274.32086	0.9
275.01633	4.0
276.02576	4.2
277.03433	100.0
278.03711	2.7
285.00226	1.1
285.58243	0.9
303.01337	34.8
303.13196	1.3
321.02390	1.2
323.29239	1.0
363.03452	2.5
465.06491	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	465.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.5
53.79053	0.6
55.01867	2.3
56.96564	0.7
56.97471	0.6
57.03427	1.5
64.61225	0.5
68.13551	0.5
69.03432	17.1
69.03799	0.5
69.75917	1.0
69.76327	3.4
71.04978	1.9
73.02927	1.3
75.73875	0.5
81.03421	14.2
85.02908	4.6
91.05438	0.7
97.02888	2.2
99.04468	3.4
103.05425	0.8
104.29993	0.5
107.00201	0.5
109.02882	14.8
119.04928	1.3
127.03905	6.2
127.38876	0.5
131.04909	1.0
132.09308	0.5
135.04482	0.6
137.02332	1.0
145.02858	0.6
147.04407	2.2
153.01836	1.7
157.02817	1.2
163.03915	1.3
173.02338	0.9
175.03926	3.9
184.42416	0.6
185.02357	1.8
187.03889	5.2
191.03421	3.5
193.01318	2.2
193.05022	0.7
199.06018	1.9
201.01842	2.3
203.03418	6.1
213.01851	4.3
215.03418	3.6
219.02959	4.0
221.00807	9.5
225.63826	0.5
229.01343	1.9
231.02882	21.4
232.03282	0.6
241.01329	3.1
243.07716	0.6
247.02423	4.9
249.03961	0.9
257.00751	1.2
259.02390	30.8
260.02945	0.8
275.01874	7.0
276.02612	2.9
277.03445	100.0
278.03833	1.8
285.00363	0.9
289.03262	0.5
293.02985	0.7
303.01407	23.1
303.04919	3.3
321.02393	4.6
339.03488	1.4
345.02780	0.7
419.05890	0.7
447.05655	1.5
447.69897	0.6
465.06689	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	464.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.5
55.01868	1.8
56.48290	1.2
56.96559	1.2
57.03443	1.5
67.11346	1.2
69.03429	15.0
70.03748	2.3
71.04964	1.4
71.56880	2.0
79.01858	2.6
80.81274	1.0
81.03417	21.8
82.03735	2.9
85.02915	6.1
91.05552	1.3
97.02901	8.0
99.04469	2.4
107.01305	1.8
109.02879	11.6
110.03223	1.8
114.66418	1.3
125.02376	3.5
127.03936	12.2
143.03397	4.8
145.05040	2.3
153.01826	100.0
157.08577	0.9
163.03922	1.5
171.02881	14.3
175.04008	1.3
189.01707	1.5
191.03421	2.9
203.03279	1.2
217.01335	2.0
219.02908	3.7
221.00836	4.8
221.04529	1.6
231.02795	5.5
235.02255	1.4
236.02831	1.9
246.01347	3.1
247.02382	2.8
248.02756	1.5
257.00851	1.2
257.04437	1.3
259.02420	6.5
275.01810	1.9
277.03418	16.8
279.05197	1.0
297.06055	9.9
302.00497	3.9
303.01355	8.9
303.04938	5.1
303.13547	1.4
315.07098	10.9
319.00708	2.5
320.01169	4.8
339.03540	1.2
446.04138	2.0
464.05258	5.9
465.06467	3.0
484.43976	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.0
53.03947	3.6
55.01873	3.9
55.05513	20.0
57.03440	8.1
57.07075	2.6
58.53986	1.0
59.04996	1.1
65.03954	4.8
67.05504	80.3
68.05823	1.2
69.03434	1.7
69.07067	30.9
70.83488	3.1
71.01389	1.1
71.04983	7.5
73.02921	1.8
76.78946	0.9
79.05492	49.4
80.05845	1.1
81.03426	6.0
81.07054	100.0
83.04968	9.0
83.08616	16.9
85.06535	6.0
91.05479	32.0
92.05804	1.1
93.07042	70.7
95.04969	11.0
95.08611	26.9
95.09234	1.4
97.06525	13.8
97.10199	3.0
99.08118	4.1
105.07029	17.0
107.04957	2.6
107.08594	39.9
107.09285	2.1
109.06527	5.2
109.10160	6.1
111.08054	9.0
113.09641	1.2
115.05503	1.3
117.07019	11.3
119.08575	7.9
121.06533	2.8
121.10146	23.6
123.11751	2.3
125.09677	2.4
128.06223	1.1
129.07047	3.8
131.08545	12.4
133.10114	12.6
135.08047	2.9
135.11702	14.8
139.07509	1.3
139.11198	1.7
143.08598	2.1
145.10187	4.7
147.11722	2.7
149.09692	2.2
149.13260	37.4
151.11247	1.8
153.01830	13.3
153.09174	1.3
159.11688	15.2
163.11240	4.0
167.14372	1.7
177.12740	8.2
183.11740	1.4
193.12227	1.2
195.13776	13.9
209.11786	1.5
213.14944	2.0
219.13976	1.6
227.12936	3.4
233.15382	1.5
269.17535	1.3
353.24960	1.5
371.26013	3.0
389.27094	2.5
445.29575	3.6
463.30783	37.9
464.31613	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.8
55.01869	4.8
55.05512	21.1
56.96554	3.8
57.03429	8.4
57.07058	3.4
61.02932	6.0
65.03932	5.3
67.05502	73.0
69.03417	4.9
69.07066	31.6
71.04984	6.7
71.58053	5.1
79.05067	4.0
79.05494	55.8
81.03413	7.1
81.06583	5.7
81.07053	100.0
83.04482	2.4
83.04981	10.2
83.08622	17.1
85.02888	4.8
85.06549	6.9
91.03936	3.6
91.05479	27.4
93.06476	4.7
93.07043	72.6
95.04965	14.7
95.08599	29.8
97.02869	4.3
97.06520	11.8
97.10174	6.0
99.04413	3.2
99.08069	3.7
105.07029	17.5
107.04926	3.3
107.08586	42.5
109.06490	7.7
109.10165	14.3
111.08052	9.8
113.09680	2.9
117.03806	2.3
117.07014	14.9
119.08585	9.7
121.06559	3.2
121.10117	21.1
123.08087	2.9
123.11700	9.9
129.06953	3.3
131.08548	14.5
133.10153	15.5
135.11703	11.4
137.13219	2.7
139.11186	3.1
143.08534	4.0
145.10155	4.9
147.11652	5.9
149.13261	40.3
151.11192	6.6
157.10057	2.7
159.11684	21.3
161.13228	4.9
173.13197	3.5
177.12767	10.4
195.13828	12.5
212.74161	2.6
243.09001	4.1
267.09146	7.8
285.10086	21.7
324.11331	5.8
387.02817	3.2
445.29337	13.6
463.30701	54.7
463.37531	3.6
484.15625	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.5
53.03936	5.0
55.01868	2.7
55.05512	18.2
57.03435	8.2
57.07056	3.3
65.03941	3.1
67.05503	80.6
69.07063	28.4
69.25005	10.8
69.25433	5.4
69.56283	1.3
71.01338	2.8
71.04976	5.7
74.97459	1.2
79.05487	50.7
81.03413	2.7
81.07053	100.0
82.07390	1.9
83.04974	7.7
83.08615	15.0
85.06531	5.9
91.05479	27.1
93.07037	74.8
94.07361	1.5
94.17673	1.4
95.04991	9.3
95.08605	27.2
96.20177	1.4
97.06532	16.1
99.08090	3.8
105.04494	1.6
105.07029	11.4
107.08591	36.5
109.06513	4.6
109.10152	4.1
110.75304	1.5
111.08087	8.7
117.06997	13.3
119.08559	4.0
121.06472	2.6
121.10136	22.7
123.11696	3.9
125.09608	2.1
131.08568	13.0
133.10114	9.7
135.08025	2.4
135.11713	11.6
139.11159	2.8
147.11661	2.6
149.13254	50.6
159.11700	20.2
163.52539	1.3
165.12823	2.4
167.14290	2.4
177.12727	10.3
181.12152	1.5
195.13799	16.9
213.14873	3.4
395.97894	1.5
463.30502	50.6
464.31082	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.6
53.03942	6.5
53.89445	1.4
55.01868	4.5
55.05513	26.6
57.03430	7.6
57.07079	3.8
57.28972	1.7
58.15191	1.4
65.03951	3.3
67.05503	80.3
69.03431	2.2
69.07065	30.2
71.04984	6.3
71.19250	4.0
72.01016	1.5
79.05493	56.7
81.03397	4.0
81.07058	100.0
81.41217	1.6
82.30965	1.5
83.04990	8.0
83.08620	21.7
84.55686	1.6
85.06542	6.9
91.05483	45.6
91.90662	1.8
93.07045	69.5
95.04977	11.0
95.08602	30.3
95.09177	3.0
97.06535	12.3
97.10175	4.1
99.08076	4.6
103.05456	1.9
105.07023	32.6
105.07681	2.8
107.04939	3.1
107.08601	38.3
109.06525	7.2
109.10150	11.2
111.08089	7.2
113.05988	1.7
115.05471	3.1
117.07021	20.5
119.08581	20.6
121.06493	5.3
121.10131	26.8
123.08089	2.0
123.11705	3.0
128.06279	2.1
129.06989	11.6
131.08563	32.8
133.10124	14.0
135.08058	3.8
135.11678	12.4
137.09605	1.9
141.06984	3.0
142.07744	1.8
143.08620	8.6
145.10107	13.9
147.08081	2.3
147.11700	4.1
149.09642	3.2
149.13245	36.5
155.08574	4.7
157.10164	5.3
159.11693	23.3
161.13297	2.8
167.08611	2.2
169.10081	4.5
171.11739	4.9
173.13303	3.1
177.12737	7.9
181.10115	3.0
183.11722	2.1
187.14755	2.3
195.12091	2.6
195.13803	16.6
197.13284	3.9
199.11290	2.0
199.14810	2.8
209.13217	2.0
215.14302	1.7
261.18439	1.9
287.19696	1.8
295.86383	2.2
325.25223	2.9
335.23840	3.4
343.26303	4.6
353.24710	17.0
371.25778	19.6
389.26758	16.3
409.27740	2.0
427.28137	1.9
445.29459	35.1
463.30624	51.3
464.30023	1.8
473.17300	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.8
55.01869	4.8
55.05512	21.1
56.96554	3.8
57.03429	8.4
57.07058	3.4
61.02932	6.0
65.03932	5.3
67.05502	73.0
69.03417	4.9
69.07066	31.6
71.04984	6.7
71.58053	5.1
79.05067	4.0
79.05494	55.8
81.03413	7.1
81.06583	5.7
81.07053	100.0
83.04482	2.4
83.04981	10.2
83.08622	17.1
85.02888	4.8
85.06549	6.9
91.03936	3.6
91.05479	27.4
93.06476	4.7
93.07043	72.6
95.04965	14.7
95.08599	29.8
97.02869	4.3
97.06520	11.8
97.10174	6.0
99.04413	3.2
99.08069	3.7
105.07029	17.5
107.04926	3.3
107.08586	42.5
109.06490	7.7
109.10165	14.3
111.08052	9.8
113.09680	2.9
117.03806	2.3
117.07014	14.9
119.08585	9.7
121.06559	3.2
121.10117	21.1
123.08087	2.9
123.11700	9.9
129.06953	3.3
131.08548	14.5
133.10153	15.5
135.11703	11.4
137.13219	2.7
139.11186	3.1
143.08534	4.0
145.10155	4.9
147.11652	5.9
149.13261	40.3
151.11192	6.6
157.10057	2.7
159.11684	21.3
161.13228	4.9
173.13197	3.5
177.12767	10.4
195.13828	12.5
212.74161	2.6
243.09001	4.1
267.09146	7.8
285.10086	21.7
324.11331	5.8
387.02817	3.2
445.29337	13.6
463.30701	54.7
463.37531	3.6
484.15625	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50981	1.5
53.03944	3.0
55.01894	2.0
55.05505	17.6
57.03443	7.8
57.07081	3.8
65.03938	2.8
67.05505	64.4
67.49367	1.5
69.07067	24.8
70.52459	3.3
70.52858	3.0
71.04989	3.9
72.59782	1.5
79.05492	48.5
81.03422	7.1
81.07055	100.0
83.04997	8.4
83.08621	17.9
84.12762	1.8
85.06540	3.4
87.76952	1.5
91.05483	29.2
93.07042	64.8
95.04972	13.2
95.08607	21.7
97.06527	12.5
99.08083	3.6
105.07022	13.7
107.08591	35.2
109.06502	3.1
109.10165	6.7
111.08105	8.8
117.07026	12.2
119.08599	5.7
121.06493	3.2
121.10136	20.4
123.08082	2.1
123.11689	3.5
129.06938	2.0
131.08580	14.2
131.70868	1.7
133.10127	13.9
135.11723	11.6
139.07561	1.6
145.10135	2.7
147.11687	3.8
149.13252	37.8
151.11247	2.4
159.11691	17.5
163.11229	2.0
167.14371	2.0
177.12784	7.4
180.76039	2.2
183.13614	1.8
195.13814	15.4
206.60692	1.7
213.14975	2.5
218.02562	1.7
353.24942	1.9
371.25757	3.9
371.62488	1.6
389.26859	3.3
445.29691	2.7
463.30670	46.1
464.30634	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	463.3052
Annotation	Norquadrangularic acid A
Peak:m/z	Relative Intensity
53.03940	6.1
55.01868	1.9
55.05511	19.9
57.03439	8.3
57.07069	2.0
65.03922	4.1
67.05505	82.7
69.07066	27.3
69.86330	8.8
71.04985	6.2
79.05492	52.7
81.03403	5.2
81.07056	100.0
82.07400	2.1
83.04981	9.9
83.08620	18.2
85.06527	5.0
91.05479	28.9
93.07042	79.1
93.07635	3.8
95.04954	10.5
95.08600	21.3
97.06528	13.5
97.10207	2.1
99.08096	3.6
105.07039	10.8
105.07650	2.2
107.08587	39.6
109.06508	3.7
109.10145	4.8
111.08075	9.3
117.07048	10.8
117.07718	1.9
119.08591	4.5
121.06497	2.8
121.10137	27.2
125.09619	2.0
129.06927	1.8
131.08568	13.2
133.10136	9.3
135.08040	2.4
135.11694	13.1
139.11214	2.4
146.54617	1.5
147.11664	2.4
149.13249	48.0
150.13512	1.8
159.11702	16.8
160.22272	1.9
177.12772	8.8
195.13828	14.6
255.72876	1.8
463.25369	2.5
463.30722	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.3
55.01862	5.2
55.05512	20.4
57.03425	7.3
57.07072	2.4
65.03942	2.7
67.05505	80.5
69.03423	2.7
69.07069	29.5
70.29714	1.3
71.04979	6.1
73.05853	1.5
79.05491	50.1
81.03400	4.2
81.07058	100.0
83.05001	10.9
83.08611	19.5
85.06539	5.2
91.05478	31.6
93.07041	77.7
93.07631	3.9
95.04971	9.6
95.08608	32.9
97.06530	11.3
97.10175	4.3
97.75816	1.4
99.08085	3.7
105.07028	13.9
107.08588	44.3
109.06519	7.4
109.10161	8.5
111.08075	7.0
117.07007	12.2
119.08580	14.3
121.06473	2.8
121.10141	29.4
123.08042	2.8
123.11711	3.0
125.09641	1.8
131.08583	12.8
133.10110	15.2
135.08061	4.4
135.11687	28.0
143.08501	2.6
145.10144	9.1
147.11707	6.1
149.09644	2.3
149.13258	42.4
153.01846	3.2
157.10144	4.0
159.11699	23.3
161.13307	2.5
163.11194	5.8
165.12694	2.4
171.11722	1.6
173.13335	1.9
175.11087	2.8
175.14774	2.5
177.12764	14.4
181.12236	2.7
187.14896	2.0
189.12688	1.6
195.13771	24.8
209.11649	2.0
213.70776	1.8
227.12769	5.7
381.27863	7.7
385.27277	2.2
399.29160	8.5
409.27255	3.3
417.30084	3.5
427.28476	6.4
445.29367	3.3
463.30917	45.7
488.43127	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.9
55.01868	3.6
55.05505	20.3
56.75307	1.2
57.03431	6.2
57.07074	3.7
65.03934	2.7
67.05502	83.6
68.00034	1.4
68.05823	2.3
69.07065	28.8
69.12048	1.4
70.72060	4.1
71.04985	4.8
73.02886	1.5
79.05491	55.8
80.75625	1.3
81.03404	7.9
81.07052	100.0
83.04970	10.2
83.08613	18.2
85.06538	5.8
87.27499	1.8
90.16641	1.5
91.05477	35.1
91.06020	2.6
92.00906	1.3
93.07040	72.5
95.04948	10.8
95.08602	26.1
97.06533	13.7
97.10168	3.2
99.08100	2.9
105.07008	14.0
107.04975	3.7
107.08591	43.3
109.06505	4.4
109.10140	6.0
111.08073	8.4
113.06036	1.7
117.07019	13.1
119.08580	5.6
121.06477	3.0
121.10139	25.2
123.08045	1.8
123.11690	2.6
129.07008	1.4
131.08571	12.8
133.10139	14.9
135.08125	3.1
135.11699	12.4
139.11172	2.2
145.10158	2.2
147.11710	3.9
149.13251	44.4
151.11171	2.3
153.09117	1.9
159.11693	17.1
177.12691	10.5
182.62202	1.3
193.12206	1.4
195.13766	15.0
213.14822	2.8
219.13788	2.5
292.02661	1.4
309.49884	1.2
348.37888	1.4
349.10828	1.4
364.65317	1.3
463.30728	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	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	1.6
51.17887	1.3
53.03942	4.1
55.01871	3.7
55.05510	16.1
57.03426	6.0
57.07069	2.5
59.88929	1.0
65.03948	3.0
67.05499	75.1
69.03439	1.9
69.07064	27.7
69.59641	9.5
71.01362	1.5
71.04993	5.5
77.33042	1.1
77.63348	1.1
79.05490	56.0
81.03425	5.4
81.07051	100.0
83.04964	8.4
83.08617	16.1
85.02859	1.2
85.06549	5.5
89.48804	1.2
91.05475	28.1
91.06017	2.0
93.07041	66.7
95.04975	8.1
95.08605	24.1
97.06517	11.8
97.10168	1.9
99.08102	4.4
103.06583	1.3
105.04539	1.5
105.07041	10.2
107.04984	2.8
107.08590	35.0
107.09286	1.8
109.06545	4.4
109.10133	6.1
111.08070	8.9
111.11716	1.5
116.54694	1.3
117.07004	10.4
119.08631	5.1
121.06503	2.2
121.10138	21.8
123.08052	1.7
123.11725	3.8
129.07025	1.7
131.08578	12.4
133.10124	14.1
135.08067	2.9
135.11700	15.7
135.24170	1.3
139.07620	1.7
139.11169	1.5
141.35201	1.3
145.10118	3.4
147.11742	2.5
149.09660	2.4
149.13252	40.4
151.11226	2.7
157.10190	1.8
158.10753	1.2
159.11685	16.4
159.12881	1.6
163.11191	2.9
177.12755	6.7
181.12321	2.6
195.13785	15.1
213.14917	2.4
227.12842	3.3
380.03934	1.4
445.29532	1.8
463.30731	42.7
464.31271	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
55.05503	0.8
59.10815	0.2
69.03414	0.8
69.68751	1.5
70.06571	0.3
71.04977	1.0
74.28303	0.2
79.05491	0.6
81.03418	0.4
81.07069	1.3
83.08619	0.3
85.02915	1.5
91.05459	0.5
97.02897	0.3
97.05260	0.4
98.06041	0.4
98.09682	0.3
98.97573	0.2
105.40450	0.2
108.08125	0.8
109.02822	0.3
109.06544	1.4
110.06051	0.4
111.06813	0.4
119.11840	0.2
126.09170	0.9
129.05490	0.3
133.06514	0.2
137.05972	0.5
139.06265	0.7
146.06009	0.3
152.07120	0.6
153.01831	0.5
154.08626	100.0
155.08977	1.4
161.03003	0.2
166.08592	0.3
182.07259	0.2
188.03691	0.3
266.09140	0.2
316.13837	0.6
398.67133	0.3
462.23325	0.5
463.17444	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.3
55.01860	8.9
55.05514	29.6
56.05823	2.0
56.94975	2.0
57.03430	9.6
57.07074	2.7
61.02917	2.0
65.03938	6.6
67.05505	93.7
68.05847	3.8
69.03429	13.9
69.07063	25.8
71.04987	8.3
71.58156	3.9
71.58556	2.0
73.02919	2.1
74.07115	2.2
79.05489	57.7
80.05833	4.3
81.03418	100.0
81.07052	98.0
82.07394	5.4
83.04978	18.6
83.08631	22.6
85.02916	2.5
85.06532	9.7
91.05477	75.0
91.82825	1.9
92.05772	3.7
93.07038	51.0
94.07378	4.5
95.04966	37.9
95.08600	26.2
97.02876	4.8
97.06513	11.2
97.10178	8.3
98.72964	2.1
99.04444	5.0
99.08074	2.7
105.07034	63.8
106.07327	3.3
107.04922	14.8
107.08594	62.4
108.08945	3.7
109.02892	3.0
109.06532	13.8
109.10149	77.6
110.10480	3.3
111.04459	3.9
111.08060	9.1
113.05988	4.4
115.05427	3.6
117.07031	10.5
119.04963	3.6
119.08567	20.3
120.08970	2.6
121.06521	3.9
121.10131	16.3
123.04489	2.3
123.08035	4.8
123.11732	14.2
125.09628	4.0
127.03873	2.0
127.07536	4.4
129.07013	15.1
131.08557	18.0
133.06516	6.4
133.09106	4.4
133.10126	91.6
135.08034	4.3
135.11673	11.1
137.06021	4.9
137.09631	2.7
139.07518	2.1
143.08589	4.9
145.04855	2.1
145.06462	3.9
145.10066	6.9
147.01369	2.3
147.08040	7.3
147.11679	11.7
148.11993	2.1
149.09628	5.8
149.13313	11.7
151.09993	2.9
151.11189	48.6
153.01775	2.3
157.10143	10.4
159.11714	7.9
161.09688	3.4
163.11223	4.6
168.43585	2.3
169.12251	13.0
171.11688	2.7
173.09647	3.0
175.11179	12.2
179.10597	4.3
179.40044	2.1
185.13280	2.5
186.78128	2.2
187.07520	3.2
188.58931	2.2
193.12241	34.0
194.12537	3.1
215.12886	5.7
227.12750	2.5
253.14334	53.7
259.16895	2.9
278.31635	2.3
343.08044	2.7
344.09106	2.4
371.22156	7.3
445.25653	7.2
463.27078	44.8
464.26642	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.0
55.01858	5.7
55.05510	18.3
56.96572	1.3
57.03417	4.4
57.07068	2.2
61.02921	2.0
65.03939	3.3
67.05506	35.5
69.03412	5.4
69.07076	14.0
70.05275	2.9
70.05641	6.2
71.05000	2.6
79.05489	34.4
79.49790	1.4
81.03414	20.2
81.06586	2.5
81.07058	42.4
82.07410	1.7
83.04964	5.4
83.08616	9.9
85.02907	4.9
85.06541	3.3
86.61420	1.4
91.05483	29.9
92.05802	1.7
93.07043	32.5
95.04963	19.5
95.08606	19.9
97.02878	3.8
97.06518	6.5
97.10168	7.8
100.76006	1.4
101.85286	1.5
103.05478	2.6
105.07030	22.3
106.07352	2.6
107.04965	11.7
107.08594	16.9
109.02849	2.7
109.06509	8.2
109.10152	13.4
111.08092	3.1
115.05431	4.4
117.07006	12.8
119.04933	1.9
119.08578	19.9
121.06508	9.0
121.10152	12.8
123.08062	4.9
123.11679	4.7
125.09631	6.1
127.03905	2.8
128.06229	3.4
129.07018	9.5
131.04933	2.4
131.08574	15.6
133.06505	7.2
133.10133	13.8
135.08040	5.2
135.11694	4.3
137.05959	3.8
137.09627	15.3
137.13274	2.6
141.06961	3.9
143.08565	7.8
145.06519	7.7
145.10097	8.3
147.08025	4.3
147.11678	6.1
149.09581	8.9
149.13240	5.8
151.11157	2.3
153.01825	6.0
153.12712	1.7
155.08569	4.5
157.10146	9.3
159.08038	5.8
159.11661	5.7
161.09673	3.2
163.07625	2.4
163.11128	3.4
165.09113	100.0
167.07030	1.8
169.10088	5.4
171.07980	2.6
171.11714	2.8
173.09618	3.2
173.13255	3.0
175.11177	6.0
177.09187	1.4
177.12669	3.3
181.10161	2.3
183.08035	2.3
183.11624	4.6
185.09644	2.5
185.13234	4.6
187.11060	3.1
189.09233	2.3
189.11243	3.7
189.12781	1.9
191.10588	1.6
193.10477	1.4
193.12228	5.2
195.11705	1.5
195.13649	1.5
197.13130	2.4
199.11172	2.0
199.14746	3.4
201.12755	2.1
205.12206	4.9
213.12750	3.2
214.90904	1.4
217.15814	2.6
219.11736	1.5
227.12648	2.0
230.64864	1.6
241.12251	1.5
243.67476	1.6
244.82474	1.4
245.15509	1.7
249.14922	2.1
257.15369	2.9
267.08990	2.6
285.10110	2.9
285.18307	1.9
299.20004	1.4
333.21802	1.8
341.24615	2.7
351.04941	2.0
351.23032	6.2
355.10968	1.7
369.24167	22.1
370.24603	1.7
387.25247	10.2
407.25513	2.3
425.26651	2.3
443.27969	14.9
443.34360	2.2
444.27777	1.9
461.29041	46.4
462.29120	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	461.3622
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
51.68509	7.2
55.05486	24.8
57.07067	42.7
67.05479	22.2
69.07073	71.5
70.71828	21.8
70.72198	11.3
71.08634	43.6
79.05483	24.7
81.07050	73.2
83.08604	38.6
85.10159	31.5
85.27077	7.6
88.32150	8.1
91.05471	22.6
93.07024	36.4
94.17892	8.3
95.04939	10.0
95.08596	54.3
97.10184	42.6
105.07030	43.3
107.04946	52.1
107.08566	37.9
107.27526	7.5
109.06546	22.7
109.10132	38.0
111.08101	12.1
111.11703	11.8
117.06981	13.4
119.08569	43.7
121.06509	8.8
121.10135	32.7
123.11707	14.9
125.58789	7.8
129.05392	9.1
129.07021	14.9
131.08559	24.6
133.03380	8.5
133.06494	16.1
133.10088	51.0
135.08038	11.4
135.11659	16.4
143.08557	24.7
145.10127	35.4
147.08025	12.7
147.11725	16.9
149.13237	10.4
151.14801	13.3
155.08580	16.5
157.10106	23.0
159.11682	17.0
161.09575	16.6
161.13234	16.7
171.08081	11.8
171.11676	12.2
171.36446	9.5
175.11172	11.3
175.14795	13.8
185.13354	16.0
187.14862	8.9
189.09079	13.1
199.14795	16.6
203.17831	8.2
225.16350	14.3
233.30774	8.2
271.17056	13.7
301.28723	16.4
343.29657	11.9
397.34662	9.9
401.34073	24.1
403.31845	18.5
407.32993	16.1
425.34158	78.5
443.35214	100.0
461.36240	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	461.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33250	2.3
53.03951	12.5
53.04144	2.7
55.01860	8.3
55.05276	2.6
55.05513	41.4
55.20275	2.4
57.03428	10.1
65.03938	3.9
67.05505	77.9
69.03416	6.4
69.07069	26.0
70.71465	9.3
71.04982	7.1
72.05190	2.1
73.54527	2.6
79.05492	76.2
81.03421	95.8
81.07059	88.7
83.04986	16.6
83.08620	30.0
85.06536	7.4
85.87576	2.7
91.05482	71.4
93.07045	70.6
95.04975	54.5
95.08600	33.7
97.06517	10.6
97.10182	14.3
105.07035	44.1
107.04969	19.3
107.08599	37.8
109.06532	9.9
109.10146	11.8
111.08062	13.8
115.05451	4.0
117.07034	21.8
119.08585	32.6
121.06515	18.5
121.10152	23.8
123.08084	5.6
125.09633	8.0
128.06236	4.0
129.07014	25.4
131.04904	2.9
131.08566	33.4
133.06458	12.7
133.10144	16.8
135.08043	6.6
135.11685	9.8
137.09589	3.4
140.53505	2.7
141.06966	4.8
143.08566	9.1
145.06485	13.2
145.10133	12.9
147.08047	8.9
147.11711	10.3
149.09619	11.5
149.13266	27.0
155.08546	8.5
157.10097	19.2
159.08075	6.0
159.11714	13.6
161.09631	5.3
163.11186	2.7
167.08545	3.0
169.10092	5.6
171.11740	4.6
173.13179	3.0
175.11252	7.7
177.12755	8.1
181.10124	3.2
183.11670	3.0
189.11255	7.2
189.12782	2.8
193.12256	30.9
195.13882	6.9
197.13290	3.5
199.14871	4.8
215.14098	2.7
217.15918	9.8
225.12808	2.8
227.12729	3.6
249.14635	3.0
257.15439	5.4
259.17224	2.8
281.01080	2.7
343.22607	5.7
351.23215	9.3
369.24271	24.7
387.25238	12.9
417.26254	5.1
443.28036	21.2
461.29007	100.0
462.29349	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73471	2.4
53.03937	8.0
53.17511	2.3
55.01855	7.1
55.05511	26.8
57.03429	7.0
65.03941	4.9
67.05506	67.5
69.03426	3.1
69.07058	21.8
69.60210	2.4
70.24523	5.1
70.24921	4.5
71.04992	4.9
74.87293	2.3
75.83418	2.3
77.07161	2.2
79.05493	54.9
81.03419	85.7
81.07058	81.7
83.04971	7.5
83.08619	27.8
84.02104	2.8
85.06547	3.6
91.05476	47.2
91.06020	4.1
93.07045	55.6
93.67223	2.7
95.04963	42.8
95.08604	20.9
97.02921	2.7
97.06512	14.5
97.10168	8.0
99.08110	3.0
103.05466	3.5
105.07034	28.8
106.43973	2.9
107.04954	16.3
107.08598	29.4
109.06522	8.7
109.10165	8.2
111.08068	14.9
115.05443	5.2
115.29396	2.3
117.06988	16.9
119.04942	2.5
119.08578	18.6
121.06516	11.1
121.10147	21.4
123.08058	5.2
125.09616	6.5
128.06282	3.2
129.07004	15.5
130.13046	2.2
131.08580	25.7
133.06477	7.6
133.10089	13.2
135.11679	5.7
135.89047	2.4
143.08533	5.8
145.06491	7.6
145.10112	9.0
147.08049	8.0
147.11702	9.9
149.09593	6.8
149.12140	4.9
149.13245	31.4
157.10114	14.5
159.11690	15.0
163.11209	3.4
165.12778	3.0
171.08133	2.8
175.11139	12.2
177.12781	6.7
183.11656	2.7
183.83722	2.5
189.11227	5.7
193.12244	33.2
195.13821	6.4
208.94479	2.6
217.15898	3.5
231.13937	2.9
249.14851	6.0
257.15393	2.4
341.24625	3.1
343.22678	11.5
358.59122	2.8
361.23898	2.6
369.24231	13.5
387.25262	10.3
417.26535	8.0
443.27740	13.3
461.28983	100.0
462.29492	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.2
55.01862	10.7
55.05511	45.9
56.79938	2.9
57.03416	13.9
57.20694	3.1
65.03929	6.5
65.80021	3.2
65.85020	3.6
67.05499	82.4
69.03426	6.3
69.07063	26.7
69.46598	30.7
71.04993	9.0
79.05488	73.8
81.03419	77.4
81.07056	95.0
83.04988	16.6
83.08611	34.7
85.06545	4.7
91.04906	3.7
91.05475	71.7
93.07042	76.7
95.04961	61.7
95.08598	39.1
97.06512	9.8
97.10164	15.0
103.05495	3.6
105.07031	53.5
107.04957	22.5
107.08583	38.6
109.06514	9.4
109.10126	12.2
111.08102	13.3
115.05424	7.5
117.07018	29.3
117.07775	4.3
119.04913	3.9
119.08577	27.8
121.06496	21.3
121.10140	23.9
123.08081	6.8
125.09617	15.7
128.06230	6.2
129.06987	26.7
131.04904	4.0
131.08553	42.2
133.06473	11.6
133.10118	20.2
135.08028	9.5
135.11642	10.2
137.09642	5.4
141.06918	8.5
142.07828	5.4
143.08539	15.7
145.06473	18.2
145.10094	16.5
147.08028	14.0
147.11687	12.7
149.09619	6.3
149.13263	25.3
151.47008	3.3
155.08534	10.6
157.10149	17.9
159.08031	8.5
159.11703	14.2
163.11223	7.2
169.10078	7.9
171.08105	4.8
171.11708	10.7
173.09601	3.9
173.13229	3.5
175.11168	13.8
177.12680	11.2
185.13316	5.1
189.09378	4.9
189.11200	15.4
193.12273	23.8
195.11935	4.9
195.13826	8.0
197.13232	5.3
199.14670	4.3
201.12788	5.0
213.12651	4.8
217.15939	11.8
219.40527	3.8
227.12755	4.3
231.13846	4.9
249.14793	5.0
257.15442	8.1
267.15799	3.8
275.16602	3.8
283.16739	3.9
287.16388	4.3
301.18057	3.7
311.20984	3.3
312.14200	3.6
341.24808	4.4
343.22629	8.6
351.23120	26.0
361.23734	4.8
369.24188	45.0
387.25348	19.9
405.26239	4.3
417.26294	8.4
443.27945	31.3
444.28265	5.4
461.28983	100.0
462.29120	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	461.1805
Annotation	ABACOPTERIN C
Peak:m/z	Relative Intensity
50.01259	2.1
53.03937	11.2
55.01870	9.0
55.05511	11.6
56.54352	2.8
57.03435	4.4
65.03934	3.3
67.05491	7.6
69.03434	19.4
69.07061	3.1
71.01335	4.6
71.04981	3.0
71.12748	2.9
71.13078	3.8
72.68356	2.1
73.02908	2.2
78.29894	2.3
79.05490	37.1
81.03407	20.1
81.07041	14.2
83.04960	9.9
84.08134	2.9
85.02901	35.7
85.06565	2.4
87.04443	3.4
91.05473	55.4
93.07034	55.7
93.07988	2.2
94.04174	3.3
94.18640	2.1
95.04967	25.9
95.08591	8.8
97.02890	18.3
97.06539	4.2
99.04451	7.7
103.05458	21.8
105.04495	3.4
105.07028	11.7
107.04945	6.6
107.08594	6.0
109.02859	7.3
109.06517	7.3
109.10188	2.2
111.04427	7.4
111.08054	11.3
115.03882	4.3
115.05478	5.8
117.07028	7.0
119.04937	9.5
119.08562	6.4
121.02856	17.6
121.06511	18.8
121.10125	6.6
122.03654	3.5
123.08098	4.4
123.11686	2.5
125.05962	4.0
125.09710	3.9
127.03915	8.3
127.07594	3.4
128.06219	5.7
129.07014	9.0
131.04929	45.6
131.08534	3.3
132.05661	2.9
133.06488	5.9
133.10074	4.8
135.08018	4.4
137.05972	100.0
139.03894	5.5
139.07518	21.2
141.06970	4.8
143.04913	5.7
143.08553	5.3
145.06465	6.5
145.10107	3.7
147.04425	12.9
147.08037	5.1
149.05991	13.9
149.09610	4.3
151.03905	8.8
151.07529	37.7
151.08690	3.8
153.01845	5.6
153.07010	2.5
155.08549	4.4
157.06454	5.2
157.10011	3.0
158.07352	2.6
159.08075	3.5
159.11703	2.7
160.05229	4.7
161.05983	10.4
161.09566	2.9
162.06813	3.2
163.07530	22.3
165.06909	6.2
165.09116	4.6
166.07759	4.9
167.07101	3.6
167.08539	5.6
169.06519	7.1
171.08006	4.6
171.11716	2.3
174.06770	3.7
175.07556	20.3
177.05487	15.3
177.09093	8.9
179.07014	6.5
179.08499	4.3
181.04948	9.0
181.06522	7.6
182.07230	3.4
183.08075	7.5
185.05916	2.8
185.09586	4.7
187.07526	14.4
189.05466	4.5
189.07352	2.4
189.09129	8.8
191.06976	7.2
191.08650	4.1
191.10690	4.5
193.06526	3.0
195.08092	7.3
195.11713	3.5
197.05898	2.4
197.09679	3.1
198.06700	2.7
199.07555	8.4
201.05394	2.6
201.09167	7.7
203.07069	6.3
205.06508	4.4
205.08493	4.4
207.08095	9.8
209.09631	8.3
211.07529	7.9
211.11118	4.3
213.09097	9.1
213.12807	2.8
215.07039	7.1
215.10654	3.0
217.08586	8.0
219.08127	3.6
221.06070	4.2
221.09666	7.8
223.07635	3.7
223.11206	12.2
224.08290	3.9
225.09071	11.4
226.09978	3.6
227.06949	3.6
227.10741	9.6
229.08656	5.8
233.09615	8.2
237.09106	6.3
239.10704	14.8
240.07892	3.0
241.08549	5.6
241.12251	14.5
243.10294	3.3
245.11726	3.2
249.09074	3.7
251.10704	12.6
253.08720	3.3
253.12268	6.3
255.10170	7.1
255.13765	8.4
257.11774	6.0
265.08505	4.5
265.12354	4.2
266.09299	3.2
267.10165	3.2
269.08286	3.0
269.11792	4.0
271.13211	4.6
273.03955	6.5
279.10013	4.7
281.11752	10.4
283.09689	8.8
283.13281	33.1
285.11282	10.6
293.11548	3.6
297.11176	7.9
299.05664	3.5
299.12646	17.6
301.03476	7.3
302.04196	14.0
303.05066	13.8
323.12863	5.3
337.14377	5.9
341.13812	3.8
345.06046	8.2
425.16055	3.3
443.17035	7.2
461.18292	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3833
Annotation	Salvinemorol
Peak:m/z	Relative Intensity
51.63718	3.0
52.84776	2.9
55.05510	17.9
58.00597	3.2
61.33641	4.1
67.05505	28.2
69.03125	3.6
69.03431	37.3
69.07069	19.8
69.28973	6.8
69.29372	33.2
71.04984	15.9
73.06557	4.7
75.57403	4.0
75.63950	3.5
79.05482	14.5
79.87596	3.8
81.03423	10.1
81.07056	39.7
83.04983	6.0
83.08621	11.2
85.06548	6.8
91.05476	21.7
93.07045	46.1
95.08608	72.7
97.02879	4.7
97.06478	5.0
97.10140	5.2
99.08079	12.0
105.07043	36.3
107.08588	66.9
109.02962	3.9
109.10157	54.3
111.08128	4.6
113.09683	4.7
117.07010	6.6
119.08575	63.5
121.10148	54.1
123.08068	5.9
123.11694	22.7
125.09632	63.3
127.07578	3.8
127.11201	18.5
131.08569	10.5
133.10130	76.7
135.11697	55.8
137.13245	11.7
143.10648	12.9
145.10130	36.6
147.11682	100.0
149.13255	17.4
151.11185	5.1
153.12688	3.8
155.10667	5.9
157.10127	5.8
159.11700	34.1
161.13232	19.8
163.11151	4.1
163.14793	14.3
169.12299	5.9
171.11620	5.4
173.13274	17.3
175.14828	16.6
177.16362	7.4
181.12260	4.6
183.13737	6.0
185.13220	4.5
187.14819	22.7
189.16360	47.2
191.17943	31.3
194.82019	3.5
199.14810	8.5
201.16412	14.1
203.17920	21.7
205.15933	7.3
207.17444	59.9
209.11757	3.5
211.16882	25.2
213.16373	8.5
215.17941	27.1
217.15993	6.5
217.19510	10.2
221.18988	7.0
227.12839	5.7
227.17996	11.3
229.19415	6.1
233.19064	26.1
243.21048	5.4
271.24185	5.9
311.47440	4.1
327.27057	4.1
405.35236	7.9
423.36194	36.4
441.37476	34.7
459.31247	5.0
459.38226	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66925	2.8
55.00368	3.2
55.05508	19.4
57.07068	10.0
61.77438	3.0
67.05500	29.3
68.85044	2.6
69.03423	7.6
69.07060	44.1
71.04990	7.4
79.05489	22.0
79.10051	2.6
81.03392	5.2
81.07053	59.7
82.07382	3.6
83.04978	3.3
83.08618	11.1
85.06540	3.8
85.19828	2.8
89.06045	4.9
91.05476	18.4
93.07034	42.4
95.04962	13.0
95.08605	100.0
97.06517	8.1
97.10168	9.9
105.07027	31.0
107.04996	5.4
107.08590	59.6
109.06514	10.2
109.10146	48.3
111.08070	5.8
111.11706	8.6
113.09622	4.4
117.07023	6.8
119.08569	44.6
121.06513	7.3
121.10133	66.5
123.08054	10.2
123.11702	34.4
125.09621	8.7
129.06985	5.2
131.08572	10.5
133.10109	31.4
135.08089	5.3
135.11691	38.6
137.09579	5.2
137.13243	71.3
139.07623	4.0
143.08563	6.7
145.10124	24.9
147.11665	29.7
149.13264	13.7
151.07541	12.3
151.11182	5.5
151.14938	3.9
153.30435	3.3
155.10732	3.1
157.10120	9.6
159.11705	20.6
161.09613	3.3
161.13234	12.1
163.11218	7.3
163.14801	18.3
169.10072	3.7
171.11664	9.2
173.13293	13.4
175.11255	2.8
175.14868	14.5
177.16409	8.2
187.11200	3.6
187.14839	11.1
189.12836	5.1
189.16388	32.7
191.10681	7.6
191.14314	4.2
191.17949	17.2
197.13376	3.8
201.16415	9.4
203.17952	14.1
205.19508	8.1
207.17430	22.0
211.23210	3.3
213.16360	7.5
215.14374	3.8
215.17999	13.0
217.19525	5.9
219.17596	4.7
225.16469	4.9
227.17996	4.0
229.15945	3.9
229.19522	4.0
231.17551	3.1
233.18987	57.2
241.19562	3.5
243.21075	4.2
269.22513	4.1
309.25702	3.4
327.26834	9.9
380.17551	3.0
405.35300	6.5
423.36697	19.1
441.33359	11.4
451.68222	3.2
459.33502	11.5
459.38394	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92263	0.2
53.03939	0.4
55.01874	0.4
55.05501	2.0
57.03425	0.5
57.07060	0.3
65.03931	0.2
67.05501	5.7
68.80455	0.3
69.03439	0.5
69.07056	1.3
70.73944	0.5
70.74342	0.7
71.04974	0.7
79.05489	2.5
81.03413	4.0
81.06586	0.5
81.07053	6.8
83.04967	0.6
83.08588	1.1
83.09058	0.2
85.02892	0.4
85.06543	0.5
88.74283	0.2
91.05470	2.6
93.07041	1.9
95.04944	1.8
95.08595	4.6
97.06544	0.5
97.10118	0.4
103.05376	0.3
105.03362	1.1
105.07040	1.8
107.04955	1.3
107.08585	2.2
109.06511	0.8
109.09462	0.4
109.10157	6.0
111.08070	0.6
112.73935	0.3
115.05448	0.4
117.06999	0.5
119.07793	0.4
119.08570	4.4
121.06500	1.2
121.10146	1.4
122.07291	2.3
123.08060	0.8
123.11697	2.9
125.09586	0.5
126.05503	0.3
127.11182	0.3
129.06992	0.7
131.04918	0.4
131.08556	1.0
133.06456	0.4
133.10112	0.9
135.08023	0.6
135.11671	0.6
137.05984	0.4
137.09615	11.5
137.13240	2.4
142.07741	0.4
143.08524	0.4
145.06471	0.5
145.10149	0.6
147.04388	0.3
147.08006	0.6
147.11676	1.2
149.09581	1.7
149.13240	1.1
151.07515	0.3
153.12770	0.3
155.08586	0.3
157.10138	0.8
159.08038	0.4
159.11644	0.3
164.94865	0.3
165.09105	100.0
166.09419	0.9
167.07060	0.3
171.11668	0.6
175.11156	1.2
177.09081	0.3
179.10678	0.3
183.13800	0.4
185.13158	0.4
187.11179	0.6
189.11238	0.3
189.12683	0.6
191.10680	0.3
191.17880	0.3
193.12242	1.7
197.09599	0.3
203.14400	0.4
205.12254	2.8
213.12775	0.3
219.17430	0.3
237.18517	0.7
237.22160	0.3
273.14731	0.6
277.25305	0.4
289.25360	0.6
295.26224	0.3
298.75266	0.2
304.15500	0.3
307.26157	0.6
349.21606	0.7
367.22635	1.2
375.82590	0.3
385.23608	1.1
441.26233	0.3
441.33643	0.3
445.43930	0.3
459.27487	2.9
463.57883	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.1
55.01864	9.2
55.05263	2.1
55.05506	23.0
57.03418	5.9
65.03928	3.7
67.05502	33.6
69.03417	6.1
69.03767	1.3
69.07063	7.5
69.40157	13.8
71.04977	4.3
79.05491	36.3
81.03413	100.0
81.07050	30.2
83.04970	6.9
83.08611	26.0
85.06531	2.5
88.85425	1.3
91.04902	2.2
91.05474	44.3
93.07040	23.2
95.04967	36.1
95.08603	13.0
97.02868	2.2
97.06499	4.2
97.10161	13.1
99.45555	1.7
103.05482	2.3
105.07024	32.7
107.04958	19.5
107.08585	15.6
109.06506	7.6
109.10118	8.3
111.04424	3.2
111.08066	11.7
115.05486	3.1
116.64118	2.0
117.06998	11.4
117.13892	1.4
119.04960	2.7
119.08569	20.8
119.09358	2.1
121.06506	12.2
121.10158	10.2
123.04421	4.2
123.08057	4.3
123.11658	2.7
125.09647	10.6
128.06224	2.6
129.06987	21.0
131.04912	4.8
131.08542	19.0
131.60931	1.6
133.06485	9.7
133.10133	6.5
135.08078	4.8
135.11719	1.9
137.09598	2.9
137.89676	1.5
141.06952	5.1
142.07787	5.3
143.08580	9.5
144.05684	2.3
145.06476	23.2
145.10141	4.1
145.37383	1.4
147.08020	8.5
147.11703	11.4
149.09608	4.3
153.09155	3.0
155.08496	3.5
157.06517	4.8
157.10124	16.9
158.37042	1.6
159.08081	5.6
159.11667	3.3
161.05931	2.3
161.09642	3.2
165.09105	6.5
165.12729	3.0
167.08591	1.9
169.06525	1.6
169.10112	3.3
171.08069	8.4
171.11740	1.6
173.09599	2.1
175.11200	14.2
181.10146	3.4
183.08130	3.0
185.09589	4.0
185.13297	3.5
189.09129	3.2
189.11217	7.9
189.12627	2.4
193.10457	3.6
193.12216	55.3
194.12692	2.1
195.11732	5.1
197.13335	3.2
199.11151	3.2
203.14471	2.0
205.12151	1.9
211.11116	2.0
213.12651	3.3
215.14388	2.7
217.12318	1.7
227.14352	3.7
231.13794	3.3
233.15359	4.5
237.12735	6.1
249.14890	4.3
255.13876	7.0
273.14801	18.2
281.15460	1.7
287.16370	1.6
299.16412	2.8
331.20572	2.2
339.23196	6.4
349.21573	19.4
357.24307	5.4
367.22665	37.9
368.23013	1.9
385.23703	36.1
403.24677	10.3
405.23874	2.5
441.26303	6.0
459.27399	80.1
460.27689	2.7
480.34039	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.6
55.01870	9.2
55.05513	26.7
57.03427	6.6
65.03942	4.4
66.59071	1.9
67.05502	39.5
69.03423	5.0
69.07073	9.5
69.84926	1.8
70.97909	2.9
70.98251	3.1
71.04982	3.5
79.05489	45.4
79.13943	1.8
81.03420	100.0
81.07059	34.0
83.04970	7.2
83.08623	25.4
85.06515	4.5
91.05482	41.1
93.07059	24.7
95.04971	37.9
95.08616	18.0
97.02895	3.4
97.06512	6.2
97.10180	16.6
103.05459	2.6
105.07027	29.3
107.04958	20.3
107.08607	14.0
109.06502	9.6
109.10159	9.5
111.04443	2.4
111.08087	6.6
115.05465	3.0
117.07004	10.2
119.04905	2.1
119.08568	23.2
121.06512	12.8
121.10147	8.7
123.04420	3.3
123.08047	5.1
123.11669	2.5
125.09588	10.7
128.06226	4.4
129.06996	19.7
131.04919	5.6
131.08569	20.5
133.06488	9.0
133.10129	10.6
135.08072	5.2
137.09622	3.9
140.30167	1.8
141.07043	4.4
142.07814	3.5
143.08588	8.5
145.06488	27.2
145.10123	6.1
147.04338	2.3
147.08069	7.4
147.11742	10.4
149.09633	8.1
153.09128	2.5
155.08545	4.5
157.06444	5.5
157.10103	14.8
159.08093	6.0
159.11751	3.6
161.06033	2.3
163.11153	3.0
165.09157	7.8
165.12793	3.1
169.10150	4.0
171.08051	5.8
171.11755	2.8
173.09668	3.6
175.11198	13.7
183.11757	2.3
185.09607	2.0
185.13202	2.1
189.11237	5.6
189.12755	1.9
193.12242	56.8
195.11720	3.4
197.09726	3.2
197.13339	2.6
199.11107	2.5
203.14299	2.6
213.12770	2.3
215.14323	4.2
217.12135	2.3
225.12675	3.1
233.15414	4.8
237.12750	3.9
241.14296	2.3
249.14899	7.1
254.26578	1.9
255.13802	8.8
258.55234	2.2
273.14899	17.7
321.22144	2.3
339.23309	6.6
349.21533	18.5
357.24286	6.6
367.22690	42.0
385.23773	37.4
386.24338	1.9
403.24823	8.4
405.24017	2.9
423.25134	2.5
441.26526	4.5
459.27438	77.8
460.27557	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.7
54.65814	1.6
55.01868	11.7
55.05505	35.1
55.31617	1.5
57.03429	8.5
59.05018	2.0
61.83298	1.5
63.69673	1.4
65.03935	2.9
65.78155	1.5
67.05503	46.1
67.37926	1.5
69.03424	3.9
69.07068	13.8
71.02895	5.2
71.04994	4.2
73.97379	1.6
79.05490	40.4
81.03414	100.0
81.07052	43.4
83.04971	9.0
83.08617	30.2
85.02900	2.9
85.06541	2.1
87.04448	1.7
87.05442	1.7
91.05477	50.2
93.07042	27.9
95.04961	40.1
95.08606	20.5
97.02853	3.5
97.06512	7.0
97.10159	20.1
100.11228	2.6
103.05466	3.0
105.03352	2.2
105.07025	35.5
107.04957	22.7
107.08585	19.5
109.06515	9.3
109.10142	12.6
111.04445	2.5
111.08062	10.7
115.05467	6.2
115.91436	1.8
117.07023	13.1
119.04945	2.8
119.08582	24.3
121.06492	16.4
121.10134	10.6
123.04445	3.1
123.08063	7.5
123.11630	2.0
125.09626	11.3
128.06207	5.2
129.07005	25.3
131.04942	6.8
131.08545	21.8
133.06500	11.4
133.10112	14.9
135.08026	6.3
135.11671	4.2
137.05939	2.5
137.09595	5.9
141.07021	5.8
142.07759	5.3
143.08585	9.8
144.05701	3.4
145.06462	23.8
145.10120	6.6
147.04410	3.9
147.08018	11.0
147.11656	11.5
149.09634	7.3
151.07516	2.3
151.11241	2.0
153.09094	4.1
153.12747	1.7
154.07841	2.3
155.08546	6.5
157.06500	6.8
157.10123	19.6
159.08060	7.0
159.11676	4.0
161.05969	5.4
161.09569	2.5
163.11194	4.3
165.09093	9.5
165.12698	2.7
167.08577	2.8
169.06551	2.8
169.10083	4.7
171.08072	7.8
171.11713	5.1
173.09587	2.2
173.13268	2.5
175.11177	16.3
177.12770	1.9
179.08485	3.0
181.10114	3.7
182.15388	3.6
183.08060	2.9
183.11681	3.1
185.09659	4.0
185.13211	2.4
187.11223	3.9
187.14848	2.3
189.09042	1.6
189.11197	7.3
189.12714	3.3
193.12236	56.8
195.08044	2.4
195.11711	5.0
197.13210	4.1
199.11221	5.6
205.12184	2.7
209.13243	2.1
213.12753	2.1
215.14380	3.2
221.13326	2.3
223.11174	3.7
225.12836	1.8
227.14380	3.0
233.15413	4.5
237.12737	5.3
239.14452	3.3
243.13783	2.0
249.14932	4.0
253.21138	2.1
255.13840	6.2
257.15399	2.1
271.16968	2.5
273.14844	18.4
287.16571	2.1
289.18185	2.0
299.16666	2.3
311.16495	2.6
331.20770	2.5
339.23111	7.4
349.21643	15.3
357.24277	6.1
367.22662	45.5
385.23712	42.4
385.28497	3.3
386.24683	2.2
403.24857	10.1
405.24289	3.3
441.26306	7.1
459.22028	8.4
459.27420	98.6
460.28201	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53578	2.0
53.03938	4.3
55.01885	9.9
55.05263	3.2
55.05513	33.6
57.03435	4.0
59.04988	2.0
67.05170	3.8
67.05503	44.7
69.03412	4.1
69.07064	13.5
69.32301	22.2
71.04993	4.5
71.42603	2.0
77.74325	2.0
79.05496	39.0
81.03416	16.9
81.07053	42.3
83.04980	6.1
83.08637	15.8
85.06516	4.2
91.05481	45.8
93.07043	30.4
94.04597	2.0
95.04957	30.4
95.08593	15.2
97.06544	6.5
97.10170	13.8
105.07034	31.0
107.04939	13.6
107.08598	28.7
109.06503	6.8
109.10158	23.1
111.08093	2.5
115.05477	5.0
117.07017	19.1
119.04955	2.2
119.08588	15.7
121.06521	5.8
121.10140	6.1
123.04424	5.3
123.08091	4.0
123.11718	4.9
125.09653	11.7
128.06224	5.9
129.07027	12.4
131.04898	2.9
131.08568	20.0
133.06479	7.2
133.10117	31.4
135.08041	7.2
135.11679	4.4
137.09683	5.0
141.07034	3.5
142.07849	3.5
143.08569	8.8
145.06458	13.3
145.10126	11.7
147.08072	10.2
147.11626	5.4
149.06070	2.6
149.09641	4.7
151.11195	13.8
153.01863	3.6
153.09160	5.0
155.08560	7.7
157.06523	5.5
157.10129	7.2
159.07993	10.8
159.11691	5.4
161.05992	3.9
161.09627	6.3
161.13281	2.1
163.11186	6.6
165.06929	2.0
165.09109	7.1
165.12910	2.3
167.08653	2.2
169.10165	8.3
171.08055	6.0
171.11644	4.6
173.09642	5.1
173.13260	3.1
175.11218	5.4
181.10109	4.2
183.11694	3.1
185.09651	4.4
185.13281	3.4
187.11211	3.4
187.14801	3.3
189.11282	5.2
189.12793	2.5
193.12300	8.6
195.11731	4.2
197.13275	6.2
199.11134	3.5
201.12630	2.5
207.13815	6.6
209.13307	3.9
213.12697	2.6
215.14420	4.7
233.15411	7.9
237.12985	2.9
245.15308	3.2
249.14664	3.2
269.15262	4.0
273.14777	4.8
287.16489	3.4
299.16556	3.0
339.23221	8.0
349.21609	6.4
357.24225	11.4
367.22717	38.0
385.23727	60.1
403.24841	4.4
441.26334	5.4
459.27399	100.0
460.27936	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	457.3676
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
55.05511	30.0
60.90648	13.0
62.52304	11.7
67.05507	38.0
69.03437	21.2
69.07073	36.5
69.43813	100.0
71.04974	15.5
77.25552	11.9
79.05487	30.2
81.07061	72.0
83.08633	19.3
91.05493	34.5
93.07054	44.6
95.08605	93.7
95.09146	13.8
97.10155	12.6
99.08137	17.3
101.89213	12.1
105.07046	49.5
107.08582	85.5
109.10143	80.9
119.08582	83.0
120.08971	14.5
121.10162	65.8
123.11683	21.6
125.09621	51.0
131.08545	23.1
133.10129	88.1
135.11681	32.5
145.10132	39.3
147.11670	36.6
149.09547	15.2
149.13287	22.1
157.10161	15.6
159.11714	34.2
161.13274	16.6
163.11137	24.9
163.14911	13.5
182.24539	12.5
185.13283	13.8
187.14868	30.5
189.16409	22.7
191.17935	21.0
193.15898	14.9
201.16434	30.2
201.23505	14.4
203.95851	13.9
205.15887	39.8
209.28085	12.1
215.18015	14.9
220.94261	12.2
220.96410	14.0
251.16591	16.0
257.68588	12.6
288.23132	12.9
403.23636	15.0
421.34412	28.2
439.35638	58.0
453.15112	14.9
457.36691	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.8
53.03927	0.9
55.05510	0.5
61.01621	0.5
64.09045	0.5
65.03928	1.1
66.44658	0.5
67.05521	0.6
67.85139	0.6
68.05031	0.8
69.03429	2.4
71.57353	0.4
71.57716	0.6
79.01861	4.3
81.03414	5.2
85.02900	2.9
90.61365	0.5
97.02905	3.7
98.00694	0.6
99.02654	1.5
99.04448	0.6
107.01302	2.0
109.02877	3.1
113.02971	4.7
113.05226	0.5
123.59171	0.5
125.02351	3.1
126.03737	10.7
127.03874	3.3
139.03928	1.0
143.03400	6.9
144.04776	100.0
145.05026	2.0
153.01825	90.5
154.02132	2.7
165.02330	0.7
166.08614	0.7
171.02890	4.8
182.04930	2.5
186.05768	0.7
206.31873	0.5
208.02898	2.7
279.27414	0.6
297.06091	5.1
306.10147	2.7
315.07321	2.7
327.08978	0.8
458.11322	4.0
458.17310	1.3
459.18448	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
56.96562	1.8
57.03448	1.5
67.05500	1.5
67.75430	1.4
69.03418	2.9
69.37591	1.2
69.65988	2.3
69.66400	6.7
79.05476	1.3
81.03412	3.9
85.02908	7.6
85.06544	1.6
87.04501	1.4
93.07065	2.0
95.04980	2.2
97.02884	3.8
98.21518	2.1
99.04448	1.4
103.05469	8.1
107.04926	2.2
109.02897	2.2
117.93909	1.3
119.04921	1.5
120.08097	100.0
121.08469	2.3
127.03923	1.4
131.04926	3.1
131.07069	6.1
134.99669	1.8
135.04381	1.4
147.04381	1.3
149.05962	2.6
153.01849	9.1
166.08641	52.3
191.03352	2.4
205.01279	2.7
219.02933	3.6
247.02246	7.5
257.00763	1.5
265.03427	8.6
275.01740	2.0
277.03458	3.1
285.00241	1.7
289.00204	1.7
291.77539	1.5
303.01297	11.3
304.01764	2.7
351.00427	1.1
376.98090	1.5
394.99451	2.3
459.11075	35.6
473.39041	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.7
54.57738	1.5
55.05506	13.2
56.70206	1.5
57.03458	2.0
57.07065	6.6
67.05174	1.9
67.05504	22.7
69.03432	2.9
69.07067	32.5
71.04978	4.1
71.08622	2.0
71.14479	1.3
79.05500	10.0
81.07049	43.8
83.04962	2.6
83.08611	6.1
85.06561	2.0
85.58163	1.6
88.07619	2.4
91.05473	9.1
93.07034	19.8
95.04958	3.5
95.08601	100.0
96.08963	2.3
97.06538	3.5
97.10173	5.3
99.08092	3.6
105.07014	15.1
107.08580	37.8
108.08931	1.6
109.06525	4.2
109.10153	60.5
111.08054	1.7
111.11697	14.4
113.09639	30.2
117.06981	2.8
119.08576	19.1
121.06506	3.3
121.10129	38.4
123.08060	14.1
123.11693	29.9
125.09686	2.8
131.08534	7.0
133.10126	16.4
135.08054	5.4
135.11674	18.1
137.09624	8.8
137.13246	19.9
139.40930	1.5
141.09097	13.6
142.07742	1.8
143.08563	3.5
145.10115	7.9
147.08061	4.0
147.11687	9.7
149.09604	4.0
149.13248	19.3
151.07541	2.8
151.11311	1.4
151.14848	3.8
157.10152	4.3
159.11681	10.1
161.09619	5.3
161.13261	7.3
163.11226	3.8
163.14812	13.2
165.09108	9.2
165.12784	12.0
171.11725	4.5
173.09604	2.0
173.13274	5.5
175.11140	2.1
175.14862	7.8
177.12770	2.0
177.16405	8.0
179.10640	2.6
183.10225	1.6
183.11719	1.9
185.13266	4.3
187.11139	1.7
187.14795	6.5
189.12717	3.5
189.16418	10.4
191.17850	7.8
193.12221	17.5
193.15881	6.0
197.13190	1.8
199.14871	4.2
200.20082	2.9
201.12762	4.0
201.16385	3.2
201.20441	2.5
203.14346	2.1
203.17877	4.2
205.15959	1.9
205.19478	20.3
206.19882	2.2
207.13808	1.6
207.17461	2.2
211.14737	1.6
213.16382	3.3
215.14255	2.5
215.17928	3.3
217.15910	5.8
217.19502	5.3
219.13776	3.0
219.17461	3.1
219.21040	5.8
221.15395	4.0
227.17960	2.2
229.15851	3.0
229.19475	2.5
231.17418	4.2
233.15311	2.4
235.16879	4.3
243.17506	1.9
243.20999	1.8
245.19165	1.9
247.17032	2.7
257.22357	1.9
269.22791	2.0
273.25674	3.4
283.26422	2.0
284.26709	3.8
299.23764	2.3
303.23383	2.5
323.27838	1.6
329.24640	2.2
369.31314	5.6
370.31494	1.9
371.29483	2.2
393.30966	2.2
393.35437	2.7
411.32544	5.5
421.34756	12.2
439.36188	69.3
440.35974	6.9
457.34796	56.3
457.44672	6.6
458.33609	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	457.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34377	2.5
55.05496	11.9
57.07066	5.5
57.43456	2.6
67.05499	27.7
68.85304	2.6
69.07062	34.0
69.90463	13.2
69.90871	6.3
78.45560	2.7
79.05488	36.4
81.07051	40.3
83.08601	10.8
85.92109	2.5
91.05473	13.8
93.07041	25.3
95.04936	3.5
95.08601	100.0
97.10162	6.1
97.68206	2.6
105.07013	16.5
106.41766	2.5
107.07865	5.4
107.08583	85.8
109.06491	6.2
109.10145	58.5
111.08052	4.3
111.11693	15.1
119.08562	22.6
121.10128	34.9
123.08053	9.0
123.11707	23.5
125.09604	20.3
131.08536	3.5
133.10121	16.5
135.07941	4.6
135.11681	17.7
137.09573	4.9
137.13229	12.4
145.10086	8.6
147.11652	10.2
149.13193	16.7
151.11076	3.8
159.11624	7.4
161.13223	10.4
163.14803	32.2
165.12755	3.4
171.11636	3.1
173.13388	6.0
175.14717	5.5
177.16364	7.6
187.14841	7.9
189.16344	14.3
191.14293	4.8
191.17889	6.5
200.20172	3.9
201.16382	12.5
203.17918	4.1
205.15901	8.2
205.19478	22.0
217.19476	4.2
219.17410	5.5
220.58974	3.2
227.18015	3.8
259.20764	2.7
273.25711	6.7
287.27209	3.6
297.25690	12.6
315.26892	24.1
329.24744	3.0
421.34732	3.1
439.35483	12.2
444.15552	3.2
457.36505	26.5
457.44003	7.9
458.37137	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01854	0.7
55.05512	2.6
57.03423	0.6
57.07072	0.9
65.03938	0.4
65.54418	0.4
67.05172	0.6
67.05503	7.1
69.03429	2.8
69.07061	3.3
71.04982	1.0
79.05479	2.6
80.98963	0.4
81.03406	1.6
81.06583	0.7
81.07056	10.8
83.04974	1.2
83.08598	0.7
85.02901	1.8
85.06530	1.0
91.05457	2.0
93.07046	3.2
95.04946	1.2
95.08599	4.9
97.02882	0.7
97.06495	0.7
97.10164	1.2
99.04452	0.6
99.08098	0.7
105.07032	2.9
107.04951	0.9
107.08582	2.6
108.21376	0.3
109.02843	1.1
109.06506	1.5
109.10155	11.5
110.10435	0.4
111.04485	0.4
111.08057	0.5
115.05439	0.4
117.07011	0.7
119.07794	0.4
119.08588	4.2
120.88056	0.4
121.06517	0.6
121.10161	2.6
122.07285	1.6
123.08049	0.9
123.11697	5.6
125.09553	0.8
127.03870	0.6
127.11147	0.6
129.06999	0.7
131.08556	1.3
133.10121	1.2
135.08054	1.6
135.11670	1.5
137.05994	0.4
137.09608	12.3
137.13257	0.6
139.07550	0.4
139.11179	1.0
143.08551	0.5
145.06512	0.5
145.10112	1.0
147.07991	0.4
147.11670	1.3
149.09634	3.4
149.13203	0.8
151.11142	0.9
153.01855	1.7
153.09122	0.7
153.12724	0.3
155.08495	0.4
155.10689	0.7
157.10132	0.8
159.11668	1.0
161.09595	0.4
161.13226	0.8
163.11168	0.4
163.14742	0.4
165.09106	100.0
165.12761	1.5
166.09424	1.6
171.08046	0.4
171.11621	0.4
173.09590	0.5
173.11853	0.5
173.13225	0.5
175.07507	0.6
175.11171	0.5
175.14877	0.4
177.09198	1.8
177.12627	0.4
178.07767	0.7
179.08540	0.8
179.10693	0.9
181.10083	0.6
186.02184	0.4
187.11201	0.9
189.09079	0.9
189.12737	0.6
190.09860	0.7
191.08612	0.5
191.10600	0.6
192.09335	1.1
193.10161	0.8
195.08044	0.4
195.11681	0.4
199.11319	0.4
201.16428	0.4
203.10652	2.1
205.08476	0.5
205.10219	0.8
205.12210	7.9
206.10774	0.7
207.08092	0.7
207.09911	0.4
207.11646	1.3
209.09659	0.8
217.10147	0.4
219.11700	1.3
220.08621	0.4
221.09564	1.1
223.11064	0.6
232.08812	0.7
233.09589	0.9
233.13123	0.5
234.10390	1.2
234.14006	0.8
235.11171	1.6
247.11221	3.2
248.11938	0.7
249.12537	0.5
249.16464	0.4
262.13510	2.3
275.23645	0.5
277.15854	20.1
278.16211	1.5
280.14621	0.7
295.16895	12.1
296.17160	0.6
299.19894	0.4
305.24728	0.6
317.21011	0.8
439.31842	0.8
457.15933	0.7
457.23172	2.9
457.32455	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86701	0.3
55.05496	1.2
57.03419	0.4
57.07048	0.4
67.05502	4.5
69.03407	0.8
69.07051	1.4
70.04065	1.0
71.04975	1.4
71.58192	0.5
79.05483	2.0
81.03398	0.6
81.07053	8.4
83.04964	0.5
83.08589	0.7
85.02887	0.6
85.06521	0.4
91.05481	1.6
93.07041	3.0
95.04959	1.2
95.08605	5.0
97.02844	0.5
99.08099	0.7
103.05416	0.4
105.07018	1.8
107.04962	0.7
107.08595	2.0
109.02838	0.5
109.06499	0.9
109.10151	6.7
111.11701	0.3
111.79295	0.3
117.06973	0.5
119.08577	4.4
121.06505	0.9
121.10136	1.4
122.07291	1.8
123.08034	0.4
123.11694	1.9
125.09607	0.4
127.03888	0.5
127.07594	0.4
127.11143	0.6
131.08563	0.9
133.06473	0.3
133.10120	1.1
135.08029	0.5
135.11673	0.6
137.05959	0.5
137.09612	12.8
137.13231	2.2
138.09999	0.4
139.11125	0.3
145.10088	1.0
147.11671	0.9
149.09584	1.5
149.13246	1.0
151.07516	0.8
151.11189	0.7
153.01819	1.4
153.09044	0.4
153.12709	0.6
157.10127	0.4
159.11707	0.7
161.09637	0.5
163.11224	0.5
165.09105	100.0
166.09462	1.7
169.10048	0.3
172.29086	0.3
173.13292	0.4
175.07605	0.4
175.94154	0.3
177.09084	1.1
177.12791	0.4
179.10706	0.4
183.88708	0.3
187.11171	0.3
189.09091	0.8
189.12631	0.4
189.16417	0.5
190.09866	0.6
191.10623	1.1
201.16487	0.3
203.10683	2.1
205.12215	6.4
207.94283	0.3
215.17978	0.4
223.13409	0.3
229.12137	0.5
235.20564	0.4
245.15410	0.7
273.10959	0.3
275.23682	0.4
287.23685	0.3
293.24780	0.5
303.19363	0.4
305.24805	0.7
366.34183	0.4
403.20547	0.3
439.31989	1.2
457.24265	3.7
457.33078	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.5
52.89750	0.5
53.03918	1.4
53.05161	0.4
53.57653	0.3
55.01847	0.7
55.05478	0.4
61.02909	0.4
67.05488	0.7
69.03428	4.3
70.06584	0.5
71.04964	0.9
71.18477	1.0
73.02915	0.5
79.01855	4.7
81.03414	7.5
81.07050	1.9
82.07378	0.5
85.02901	3.4
85.06525	0.4
87.02663	1.0
91.05480	0.7
93.07022	0.6
95.04932	0.5
95.08585	1.3
96.08941	0.6
97.02884	5.5
97.06554	0.4
99.04441	1.2
107.01305	1.8
109.02869	5.1
109.06533	0.6
119.08505	0.4
121.06537	0.6
125.02343	3.5
125.09614	0.7
126.57298	0.5
127.03907	6.7
137.06004	0.4
139.07599	0.6
143.03387	57.4
144.03738	0.6
144.04768	1.7
145.04938	1.2
145.08615	0.7
153.01820	100.0
154.02124	1.0
171.02892	8.8
171.04260	0.7
210.03957	0.5
260.13956	0.7
294.17355	0.8
295.17612	1.2
297.06033	10.1
315.07068	2.9
407.89865	0.4
457.16730	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	457.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
54.43152	0.6
55.01860	0.9
55.44553	0.5
57.03423	0.7
57.29713	0.6
59.27356	0.6
69.03429	6.6
69.96423	0.6
69.98243	0.5
79.01846	4.9
81.03415	10.0
81.71330	0.5
85.02902	3.4
85.93182	0.6
95.04961	0.7
97.02898	9.5
98.20782	1.1
99.04455	1.6
107.01303	1.6
109.02872	6.3
121.06505	0.8
125.02361	4.2
127.03923	16.5
143.03394	81.3
145.04950	1.5
151.07587	0.9
153.01825	100.0
154.02159	0.9
166.23404	0.7
169.01306	2.4
171.02873	10.5
229.64030	0.7
233.04604	0.8
257.00848	0.7
266.17825	0.6
297.06030	8.9
303.01440	0.9
315.07129	2.1
336.31610	0.6
457.12704	4.8
469.13541	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
54.19270	0.3
57.03421	0.7
68.99765	0.3
69.03419	1.4
70.06598	0.4
71.04980	0.3
71.56999	0.4
79.05502	0.4
81.03423	2.4
85.02908	1.6
91.05490	0.5
97.02882	1.7
99.04476	0.5
109.02872	2.1
111.04436	0.3
113.02364	2.3
120.49548	0.3
123.00761	0.4
125.02361	0.8
127.03917	100.0
128.01132	0.3
128.04242	1.0
143.03412	1.5
146.99704	0.3
153.01830	4.0
167.03419	0.6
169.01323	26.4
171.02879	0.4
187.02385	2.0
187.03920	0.5
203.03410	0.3
205.04903	0.3
233.04497	0.6
253.28770	0.3
259.77722	0.3
267.05359	0.3
269.75751	0.3
295.04456	0.9
313.05594	1.1
457.16653	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.114
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26808	1.1
56.96564	3.6
69.57219	1.2
69.77809	2.2
69.78227	6.5
71.77636	1.4
89.97719	1.4
93.01540	1.3
96.77342	1.4
97.02863	1.8
98.97586	6.1
101.00858	3.1
103.02439	6.2
112.89627	2.1
115.02444	3.2
116.98613	4.2
117.67831	1.4
119.01917	17.0
121.03485	5.4
122.01362	3.0
123.61231	1.4
128.98651	2.1
129.03970	2.4
131.01883	16.4
133.03444	13.3
137.01909	3.8
137.02956	3.6
137.51909	2.4
143.01917	10.1
145.03445	7.7
147.05034	6.5
149.02986	1.8
151.04549	5.2
152.02492	3.2
155.01859	9.7
157.03482	5.5
159.04997	11.5
161.01126	1.5
161.02982	11.0
163.04474	1.6
167.01909	2.0
169.03529	1.7
171.05072	7.0
173.02954	22.5
175.01910	2.4
175.04518	4.3
177.00662	1.6
177.06046	10.6
182.03529	1.6
183.05043	5.9
183.38470	1.4
185.02945	14.6
185.06612	2.6
187.04515	5.4
189.00749	2.2
189.06056	4.2
195.05467	2.7
195.07152	14.1
196.25397	1.4
197.02945	10.8
199.04568	1.7
201.06134	5.4
203.03958	12.5
203.53983	1.4
205.05482	3.0
206.26656	1.4
211.04619	1.7
213.06052	2.0
215.04021	3.8
219.01828	2.6
219.07109	25.0
221.05040	12.2
224.04585	4.4
224.54488	1.8
225.06122	1.6
227.03899	3.0
231.07138	26.0
232.03561	1.7
232.07422	1.8
233.08784	6.3
237.02831	4.0
245.05067	39.6
246.05052	2.0
255.07100	7.9
257.04953	2.2
261.02792	1.8
261.08286	6.8
263.06168	6.0
273.08099	5.7
275.06152	12.0
279.03870	1.8
293.07095	4.3
305.07181	2.8
307.08804	4.9
321.10297	100.0
322.10583	4.6
335.08682	1.8
339.11539	9.8
365.09094	7.3
437.11511	2.7
455.11780	90.6
456.12280	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17108	0.9
69.03390	1.1
70.07771	3.9
70.08194	2.1
77.00901	2.3
83.04976	1.2
84.08035	1.0
84.99873	1.1
90.66857	1.2
95.01886	1.1
95.04969	1.6
101.00853	2.3
112.89621	1.4
116.45313	1.0
119.01918	28.9
121.02886	1.9
127.02393	1.3
131.01923	1.6
133.03510	1.1
137.02966	13.6
143.01917	2.3
145.03464	19.8
145.04520	1.7
157.03474	9.1
161.01627	1.8
161.02950	11.2
163.04539	3.6
167.01836	1.3
169.03477	20.5
171.05067	4.4
173.03058	1.7
175.04546	4.5
183.05003	1.7
185.02943	12.6
185.06621	1.3
187.04526	39.0
188.04663	2.0
195.05048	3.6
197.02890	5.9
203.03976	9.4
205.05533	8.3
210.06062	1.6
211.04510	2.1
213.06216	2.6
215.04047	8.7
221.03087	2.4
221.05118	5.9
228.71074	1.2
229.05588	15.3
239.06107	9.8
245.05135	1.4
247.06674	10.6
249.04616	1.4
257.05038	2.1
263.06110	56.4
264.06253	3.5
275.06116	100.0
276.06360	5.3
281.07181	8.0
282.07822	1.2
289.07718	10.1
291.05545	5.8
293.00433	1.4
293.07169	34.5
298.05475	2.0
298.55582	1.3
307.08813	1.8
316.08865	3.7
317.07153	3.4
365.02817	1.7
374.03278	2.3
377.09216	11.2
395.10275	11.6
413.11441	3.1
419.71063	1.1
455.11633	80.9
456.12057	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	454.2925
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05507	3.5
57.03436	4.5
57.07073	24.1
60.26421	2.3
62.06087	24.3
67.05492	4.1
69.07059	5.8
71.08636	13.1
75.61617	2.3
81.07034	8.6
83.08603	4.7
85.10169	11.7
85.81000	2.3
89.06019	2.6
95.08610	15.1
97.10155	3.0
98.98462	5.8
107.08585	3.7
109.10132	4.7
123.11655	2.5
124.01593	2.5
142.02641	2.6
144.48708	1.9
155.01056	6.7
198.05148	2.1
216.06271	2.8
229.63133	2.0
282.27728	10.7
313.27365	100.0
314.27649	3.6
351.17520	2.2
393.23978	5.2
436.28348	2.4
438.75089	2.5
454.34296	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72038	0.2
53.03925	0.5
55.01867	0.3
55.05507	1.6
67.05491	0.5
69.03426	0.6
69.07060	0.4
70.06596	1.3
70.69728	0.3
70.82491	0.5
70.82816	0.3
73.02892	0.2
79.05491	1.4
81.03413	0.8
81.07053	2.0
82.06561	0.4
83.04954	0.6
83.08608	0.8
83.71848	0.3
84.04491	2.3
84.79282	0.2
85.02882	0.9
91.05470	1.2
93.07047	1.4
93.99364	0.3
95.04951	0.5
95.08627	0.4
95.88617	0.3
97.02896	0.6
97.05281	0.2
97.06515	0.5
98.06055	0.9
98.09655	0.4
99.04483	0.3
100.11243	0.5
105.07011	0.7
107.08581	0.5
108.08128	1.0
109.02825	0.4
109.06536	1.8
110.06022	0.8
111.06776	0.5
111.08067	0.3
112.07594	0.9
119.08575	0.7
121.10152	0.3
123.82396	0.3
126.05462	0.5
126.09130	1.1
127.03945	0.6
131.18378	0.2
133.10136	0.3
139.06277	1.2
139.07425	0.6
140.07047	0.4
145.10101	0.9
153.01826	2.0
154.08621	100.0
155.08948	0.9
156.13728	0.3
163.11142	0.4
173.09628	0.4
187.11151	0.4
204.08757	0.3
205.12325	0.4
210.14864	0.4
211.15294	0.3
231.13823	0.3
233.11858	0.3
303.05170	0.5
381.58417	0.3
388.35910	0.3
389.82260	0.2
394.86685	0.3
411.30667	0.3
455.22266	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22961	2.1
53.03942	4.2
55.01867	10.1
55.05502	6.7
56.96562	21.3
57.03434	18.4
57.07047	2.5
57.72323	2.0
59.04991	6.6
61.02925	24.0
67.05511	14.3
69.03430	33.8
69.07071	16.4
69.93981	12.6
71.01362	4.5
71.04989	10.8
73.02914	23.0
79.05492	14.2
80.46414	2.0
81.03412	29.5
81.07047	17.7
83.04995	4.2
83.08636	12.5
84.04492	19.1
85.02905	100.0
87.04455	5.1
89.86109	2.1
91.03960	10.4
91.05470	11.3
93.07058	12.0
95.04970	13.1
95.08601	7.8
97.02886	42.0
97.06509	4.9
98.20885	3.1
98.66909	2.1
98.97565	2.7
99.04453	7.3
100.11319	2.4
103.03922	6.2
105.07027	14.1
107.04964	2.7
107.08592	7.2
107.09265	2.4
109.02890	8.4
109.06534	3.1
109.10156	5.9
111.04507	2.6
111.08080	3.8
112.12038	2.6
115.03937	12.7
117.07013	2.3
119.08561	7.5
121.10130	6.3
123.08025	3.0
123.11693	2.7
126.05537	4.9
127.03910	28.9
129.06993	4.0
131.08571	6.2
133.04993	15.2
135.08084	2.6
137.06001	3.6
139.07581	3.0
143.08557	2.9
145.04951	35.8
145.10162	5.3
146.99701	3.4
147.11700	3.5
149.01222	2.7
149.09618	4.1
149.13150	2.2
150.07561	3.2
153.01836	7.7
153.12764	2.2
157.10069	3.8
159.11703	2.6
163.06036	7.5
165.09074	5.4
170.99629	2.9
175.11241	3.7
177.00742	4.5
181.04999	2.4
187.11272	2.7
193.12244	13.6
203.05833	10.9
204.08745	3.3
205.12265	3.1
211.13348	8.6
213.08038	2.2
215.10767	2.2
219.05290	2.4
223.06224	3.3
241.07233	4.4
243.08928	11.0
243.59013	2.5
249.07916	3.5
255.09088	2.4
267.09039	44.7
267.15839	4.2
268.09546	5.0
285.10095	93.1
285.17026	5.0
286.10425	8.7
290.10779	2.4
299.11655	5.4
303.05112	2.4
303.11197	4.4
308.11728	9.9
315.11038	6.5
317.12646	8.2
318.13257	2.2
324.11453	18.7
324.61670	2.8
364.16391	2.4
394.73157	2.6
455.22263	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	453.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.01862	1.4
55.05265	1.3
55.05508	17.4
57.03435	4.7
57.07058	3.6
59.05001	2.1
65.03929	2.4
66.87435	0.7
67.05503	54.2
68.05831	0.9
69.03415	3.1
69.07067	8.2
71.04997	9.8
71.58529	0.8
73.06584	0.9
77.43549	0.8
79.05065	1.3
79.05492	21.6
79.05959	1.1
81.03418	25.6
81.07054	100.0
82.07391	1.1
83.04980	6.7
83.08624	13.1
84.04520	1.1
85.02899	17.6
85.06539	10.6
91.05477	25.5
92.05824	1.0
93.07039	14.7
95.04971	11.9
95.08608	15.9
97.02866	1.4
97.06513	2.8
97.10150	3.2
99.04455	1.0
99.08057	1.0
105.07027	18.8
107.04942	3.1
107.08581	12.0
109.06525	4.9
109.10138	11.9
111.04433	2.3
111.08087	6.6
113.06017	1.8
117.07007	2.5
119.08575	13.4
121.06489	2.4
121.10133	10.1
123.08049	3.2
123.11703	15.1
125.09611	3.4
129.07005	5.5
131.08559	6.8
133.06433	1.8
133.10124	18.6
135.08044	1.9
135.11681	2.7
137.09610	2.8
139.11189	0.9
142.07796	1.6
143.08524	1.9
145.10117	4.5
147.08029	2.0
147.11670	9.9
149.09607	4.1
149.13217	2.5
151.11159	5.6
153.01848	0.9
155.08620	0.7
156.09453	1.3
157.10136	7.1
159.11671	4.2
161.09593	1.4
161.13206	1.9
165.09111	2.0
165.12755	1.5
169.12273	1.9
171.11670	1.3
173.13269	2.3
175.11179	8.2
175.14757	1.8
177.16302	0.8
183.11728	1.1
185.13261	1.3
187.13252	7.1
187.14722	1.3
193.12238	28.8
194.12500	1.0
199.14703	1.2
201.16428	0.9
211.13275	28.8
211.15274	1.5
213.16512	1.0
217.15813	1.0
243.15901	1.2
267.15680	1.4
435.32825	1.9
453.28430	33.1
453.33844	4.2
454.28598	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	24.0
59.88792	24.7
69.03412	36.1
71.56547	29.3
79.05482	72.1
81.03410	44.3
81.07048	100.0
85.02902	47.7
91.05469	44.1
93.07049	36.0
95.08603	26.6
97.02889	36.6
97.06515	38.5
109.02926	27.6
109.06521	30.9
117.07001	29.9
120.84812	17.2
121.06537	26.9
127.03876	23.5
137.05971	28.2
139.07509	42.9
141.09090	55.6
153.01752	36.2
153.27309	20.2
155.07062	38.2
165.51013	23.5
171.07997	26.3
177.59151	19.7
178.05014	19.9
445.78769	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	453.1729
Annotation	3,4,5-Trimethoxy-3',4'-dithoxybibenzyl 3'-O-glucoside
Peak:m/z	Relative Intensity
53.03945	0.8
55.01862	0.8
55.05511	0.9
67.05495	1.3
69.03408	1.7
69.07061	1.0
71.04955	0.7
71.57383	0.7
79.01771	0.4
79.05484	2.9
81.03413	1.0
81.07043	2.4
83.04943	1.0
83.08585	0.5
84.04504	2.7
85.02910	3.3
85.06528	0.7
86.82079	0.4
91.05482	2.4
93.07043	5.3
95.04955	1.4
95.08587	1.3
97.02872	1.5
97.06502	0.9
99.08044	0.6
100.11253	1.3
105.07004	1.3
107.04951	3.2
107.08548	1.2
109.02866	1.1
109.10152	0.9
111.04439	0.7
111.08027	1.1
117.07068	0.6
119.08546	1.4
121.06503	1.0
121.10107	0.7
123.08057	0.5
125.09689	0.4
127.03895	1.1
130.61621	0.5
131.08604	0.6
133.06494	0.6
133.10083	0.8
133.41457	0.4
135.08044	0.6
135.11723	0.5
137.05983	1.3
139.07527	1.7
143.03349	0.7
145.04922	0.5
145.10030	1.1
147.04462	0.5
153.01816	9.3
155.08505	0.5
157.10056	0.5
159.11789	0.5
161.13196	0.6
163.11197	0.4
165.05670	0.5
165.07178	0.4
165.09081	0.6
181.06528	0.5
187.11203	0.7
191.03397	0.5
195.11668	0.5
233.11511	0.4
273.04724	0.5
287.05585	0.5
291.11859	2.2
335.90915	0.5
341.11804	0.5
391.17068	1.3
393.15271	2.9
409.18256	1.6
435.16354	1.6
435.33322	1.0
453.17252	100.0
453.34213	4.1
454.17389	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14843	0.4
55.01863	0.6
55.47829	0.4
57.03424	0.4
66.62251	0.4
67.05486	1.2
69.03434	1.1
70.71705	1.3
71.05011	0.7
78.19515	0.4
79.01835	0.6
79.05499	1.3
80.04951	0.5
81.03429	1.4
81.07047	1.2
85.02911	2.0
88.42996	0.5
91.05499	1.9
93.07042	1.9
95.04953	0.7
95.08625	0.6
96.91605	0.4
97.02878	0.7
97.06502	0.5
98.97576	0.5
105.07034	1.6
109.02912	0.8
109.06499	0.6
111.08099	0.6
117.07010	0.9
118.22840	0.4
121.06538	0.6
124.07601	0.5
127.03945	0.6
127.71484	0.5
129.07025	0.6
131.08623	0.5
134.61073	0.4
137.06000	1.7
138.09160	1.4
143.03252	0.6
149.05991	0.5
153.01834	8.4
154.08372	0.5
166.08664	0.7
167.07132	0.7
177.05411	0.5
179.07063	0.7
181.05046	0.8
185.09666	0.5
191.03378	1.4
199.11295	0.4
207.06519	0.6
213.09082	0.6
273.12283	0.9
273.15359	0.4
291.17084	1.1
307.11533	3.9
453.17313	100.0
454.17749	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	453.139
Annotation	6'-O-Galloylsalidroside
Peak:m/z	Relative Intensity
50.01602	0.4
51.02373	1.2
53.03947	2.4
55.01868	2.5
55.05509	4.9
57.07076	0.5
65.03950	0.4
67.05505	2.4
68.00394	0.4
69.03430	12.1
69.07053	1.5
71.01367	0.5
71.04987	0.7
79.01856	4.7
79.05488	9.7
81.03410	3.2
81.07056	2.9
82.06580	0.9
83.04968	1.5
83.08607	2.9
85.02895	1.7
85.06558	0.8
87.04495	0.4
91.04913	0.4
91.05475	8.5
93.06477	0.8
93.07039	12.0
95.04969	4.8
95.08601	1.8
96.21239	0.4
97.02890	2.9
97.06511	1.1
99.04471	0.9
100.07642	0.4
100.11260	6.8
105.04504	0.9
105.07023	1.5
107.01294	1.1
107.04961	0.6
107.08603	2.2
109.02868	2.7
109.06542	0.9
109.10147	1.5
111.04442	1.8
111.08075	2.6
112.07542	0.5
117.07042	0.8
119.04922	0.4
119.08602	1.2
121.06514	4.1
121.10108	1.4
123.08066	0.7
123.11720	1.0
125.02345	4.3
127.03908	8.3
127.11199	0.5
128.07085	0.7
129.07010	0.6
131.08569	1.3
131.45941	0.4
133.06520	0.5
133.10143	1.4
135.11668	0.6
137.05986	0.9
137.09618	1.0
139.03922	0.5
139.07536	3.3
139.11197	0.4
143.03394	8.4
143.08563	0.5
145.10115	1.0
147.08034	0.6
147.11638	1.1
147.46045	0.4
149.09663	0.7
151.03958	0.6
153.01825	100.0
154.02171	1.6
154.08652	0.9
155.08484	0.6
157.10164	0.8
159.11679	0.7
161.13255	0.5
163.03883	1.1
163.11258	0.5
165.09076	0.7
167.07135	0.4
171.02873	0.5
171.11659	0.4
173.09595	0.4
173.13289	0.4
175.07584	0.5
175.14854	0.5
181.08559	1.0
182.15350	2.5
191.03413	0.8
195.02856	0.4
203.14291	0.4
209.16484	1.3
210.14851	2.7
210.30852	0.4
227.17648	0.7
233.04506	0.6
237.03952	1.6
250.32172	0.4
261.03952	0.6
265.10587	0.4
273.07742	0.5
276.72867	0.7
291.15918	0.5
291.19247	0.4
297.06076	1.5
311.02298	0.5
323.89685	0.4
326.28149	0.6
343.30670	0.9
353.02789	0.5
398.32993	0.4
435.32632	0.8
452.36411	0.4
453.21106	1.9
453.34235	1.9
475.09760	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.01874	2.0
63.55920	1.1
65.03950	1.1
69.03445	2.7
70.06651	3.4
70.07105	4.7
74.69220	1.2
75.04452	1.3
78.04699	2.6
79.05485	5.5
81.03407	2.0
85.02921	1.5
91.05473	15.6
93.03389	2.0
93.07034	5.2
95.04961	5.0
97.06509	1.4
103.05462	16.2
105.07018	6.3
106.04173	7.3
107.04950	31.7
109.02827	1.6
109.06543	1.7
115.05448	5.1
117.07034	2.2
119.04945	3.1
120.05656	1.7
121.06497	13.8
123.04439	2.8
125.06012	3.3
125.28913	1.1
127.03965	2.0
129.06995	5.1
131.04927	12.0
131.08493	1.6
132.05728	3.0
133.02907	1.9
133.06509	2.6
135.04414	2.0
135.08031	6.7
137.05988	18.1
138.06310	2.2
139.07547	1.6
141.07042	1.5
145.06474	2.3
146.07265	2.8
148.05190	6.6
149.05978	16.8
151.07544	3.3
153.01820	5.7
153.05580	1.4
153.09100	4.2
157.06543	2.5
160.05214	3.2
161.05978	73.2
161.09616	18.8
162.06393	1.6
163.07542	37.1
165.05502	4.9
165.06856	1.3
167.07042	38.6
174.06760	2.5
175.07521	8.4
177.05452	13.2
177.09122	2.1
179.07034	6.5
180.07805	11.8
181.06845	1.7
181.08595	31.3
181.10201	1.9
189.09102	55.0
190.09302	1.5
191.07008	22.8
192.07813	13.6
193.08598	3.3
207.10153	100.0
208.10446	2.0
209.06059	2.1
209.08080	32.0
210.08774	1.6
219.10146	5.4
223.07375	1.3
225.09169	1.7
253.08510	1.2
257.11823	2.0
285.11179	2.8
311.12592	2.3
315.12216	2.8
317.13843	5.9
327.12219	2.1
329.13992	2.3
341.13678	6.9
343.15356	7.1
346.09875	1.5
361.16470	20.2
373.16455	7.8
453.13486	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	452.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.01875	3.4
62.04427	1.9
67.05489	3.8
69.03420	4.1
70.06626	3.3
70.93507	6.5
72.08110	2.4
78.04646	2.1
79.05489	11.8
81.03419	6.4
81.07058	2.1
82.00246	2.0
83.04994	4.2
83.54739	2.2
85.02889	5.0
91.05481	20.4
93.03375	3.1
93.07034	9.4
95.04977	9.9
97.02908	2.1
97.06493	2.6
103.05462	20.2
105.07049	10.4
106.04146	7.5
107.04291	4.1
107.04955	45.3
107.08641	4.4
109.02887	5.8
109.06503	4.4
111.94211	1.9
115.05436	4.5
117.07026	3.0
119.04972	5.5
121.06526	20.2
121.10153	6.2
123.04437	3.5
129.06996	7.7
131.04926	16.3
131.08607	2.5
132.05711	7.4
133.06505	3.0
135.04398	2.0
135.08029	12.8
137.05972	16.9
146.07256	6.5
147.04475	2.8
147.08020	3.6
148.05180	7.2
149.05989	17.3
149.09621	2.6
151.07520	6.5
152.08348	2.4
153.01836	8.7
153.09148	5.4
157.06546	5.7
160.05238	5.3
161.05981	94.1
161.09601	25.9
163.03836	3.2
163.06288	3.6
163.07561	46.6
165.05424	6.7
167.07031	53.5
174.06743	2.7
175.07536	8.4
177.05458	19.2
177.09109	3.7
179.07028	11.2
180.07779	18.3
181.08592	34.9
182.09233	2.3
189.09125	61.6
191.06856	23.1
191.08562	3.5
191.10684	2.9
192.07672	12.4
192.11409	2.5
193.08485	2.8
193.12210	5.3
198.49011	2.6
201.09134	2.7
207.10162	100.0
208.10458	3.2
209.08073	40.0
209.09908	3.2
210.08907	3.0
214.66011	2.8
219.10091	5.7
237.11214	3.2
238.11945	4.2
241.63805	2.0
256.13074	2.7
285.11038	4.2
308.13181	5.0
311.12576	3.2
315.12189	3.5
317.13840	4.3
331.15314	2.9
341.13889	8.9
343.15335	6.4
361.16422	20.9
373.16400	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	451.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.4
55.01864	5.9
55.05508	22.5
56.96541	1.2
57.03413	4.5
57.07063	2.4
59.04980	2.4
65.03925	1.8
67.05502	61.3
69.03400	2.7
69.07061	7.0
71.04649	1.0
71.04986	9.5
71.58143	1.7
73.06533	1.0
79.05488	29.1
81.03416	6.3
81.07053	100.0
82.07401	1.1
83.01321	3.9
83.04987	9.8
83.08625	10.5
85.02885	2.4
85.06088	1.0
85.06538	11.3
91.05473	19.8
93.06471	1.8
93.07037	23.6
95.04965	8.2
95.08604	16.9
97.02861	2.0
97.06499	4.4
97.10138	4.1
99.04428	1.6
105.07021	14.4
107.04936	5.2
107.08591	16.9
109.06511	7.3
109.10161	11.5
111.04418	2.0
111.08063	2.8
115.05378	0.9
117.07010	6.2
119.08557	11.3
121.06516	2.5
121.09445	1.0
121.10139	12.0
123.08080	5.2
123.10948	1.3
123.11703	13.5
125.09602	2.9
129.06984	1.6
130.07761	1.3
131.08563	4.9
133.10120	14.8
135.08015	2.9
135.11696	9.3
137.05936	1.9
137.09583	2.3
139.11092	1.3
143.08539	2.3
145.10103	13.7
147.08002	2.2
147.11674	3.2
149.09583	1.9
149.13193	2.2
151.11188	7.1
153.12706	2.4
155.08606	2.2
156.09288	1.3
157.10074	2.6
159.07986	1.4
159.11713	4.8
161.09573	2.2
161.13174	1.1
163.11174	20.6
165.12621	1.2
170.10875	1.2
171.11646	3.1
173.09595	2.0
173.13229	1.9
175.14783	1.4
181.12166	2.7
183.11549	1.2
185.09467	1.4
185.13231	1.7
187.11755	1.0
187.13229	8.5
187.14742	2.3
191.10657	2.2
197.13129	1.4
199.14816	2.1
209.11653	4.8
213.12775	1.1
213.16533	1.5
227.12634	2.6
249.16330	1.1
257.18814	1.3
415.28314	1.4
433.30960	2.3
451.26627	33.2
451.31827	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	451.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	19.1
55.01867	29.0
55.05506	28.7
57.03423	12.1
57.07067	6.4
61.02900	4.6
65.03948	9.0
67.05502	53.9
69.03431	45.5
69.07058	25.0
70.83526	10.2
71.04987	20.1
74.97624	3.9
79.05490	74.0
81.03406	47.1
81.07047	71.6
83.04974	19.7
83.08617	13.3
85.02908	36.2
85.06550	15.1
87.04453	4.5
91.05479	79.9
93.07037	100.0
95.04974	41.2
95.08599	47.4
97.02917	15.4
97.06529	19.0
97.10149	6.5
98.54558	4.0
99.04429	10.0
99.08085	7.8
103.05469	7.8
105.07040	64.7
107.04965	18.7
107.08582	36.6
109.02848	26.1
109.06538	26.0
109.10128	22.1
111.04446	8.1
111.08097	18.1
115.05459	7.7
117.07034	17.1
119.08593	34.4
121.06537	32.3
121.10153	21.9
122.03662	8.4
123.04425	9.2
123.08083	14.5
123.11709	15.4
125.05998	10.0
125.09629	9.7
127.03921	14.6
128.06241	6.8
129.06989	15.2
130.07748	4.8
131.04919	7.6
131.08553	28.8
133.06499	10.8
133.10114	33.5
135.04456	7.6
135.08035	14.3
135.11693	8.8
136.07562	4.5
137.05981	48.5
137.09602	8.5
139.07532	61.6
141.06979	8.0
142.07762	7.7
143.08598	12.8
145.06511	11.6
145.10074	20.7
147.08055	15.8
147.11708	14.4
149.06020	6.2
149.09619	16.0
151.07544	10.9
151.11180	8.3
151.20319	4.0
153.01817	9.9
153.12712	5.3
155.08546	11.0
157.10161	18.4
159.08067	7.0
159.11696	15.1
161.05931	5.5
161.09624	12.8
163.07599	8.4
163.11177	14.0
163.14743	5.1
164.07018	8.4
165.05449	4.8
165.06950	7.1
165.09100	12.1
167.07066	15.5
169.10165	12.9
169.12286	9.5
171.08037	8.2
171.11752	10.8
173.09674	12.2
173.13168	6.7
175.07538	10.7
175.11211	10.0
177.09134	4.3
177.12823	5.4
179.08656	5.6
179.10680	5.5
181.04967	4.7
181.10254	4.2
183.08090	4.4
183.11731	11.3
185.09624	4.8
185.13234	9.2
187.11166	11.4
189.09044	8.4
189.12793	9.6
191.10692	6.7
195.10191	6.6
195.11780	8.0
197.13321	4.5
199.11195	6.0
201.12785	5.7
205.12360	4.5
207.11714	5.5
211.11403	5.8
213.12762	4.6
213.16406	5.0
222.52444	4.4
227.18030	6.0
271.14355	10.9
271.16965	8.3
285.11108	5.7
289.06146	5.7
289.15176	9.1
289.18002	11.3
307.19370	4.7
341.21066	7.3
359.22021	16.5
433.21732	7.4
433.30652	5.0
451.22934	44.7
451.32169	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	451.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.6
53.55196	5.8
55.01882	11.7
57.03432	6.8
59.05044	4.8
61.02908	6.8
63.91782	5.3
67.05501	15.8
69.03431	15.7
69.07061	24.1
71.04991	16.2
71.57433	10.0
79.05489	100.0
81.03426	16.8
81.07053	13.1
83.87981	4.5
85.02890	34.9
85.06512	5.2
91.05476	19.5
93.07053	35.9
95.04976	15.8
97.02897	9.0
97.06527	41.1
105.07077	5.6
107.04961	10.7
109.02859	12.7
111.04448	5.0
111.08089	10.7
115.07547	15.2
121.06509	12.5
123.04445	11.9
127.03922	13.9
133.08600	30.8
135.04436	7.3
137.02332	6.2
137.05998	24.6
139.03909	18.2
139.07549	38.9
151.09677	27.5
153.01834	16.7
167.07063	6.9
249.04213	5.4
265.10638	6.9
289.06863	19.2
326.94180	5.1
341.27228	6.1
457.10971	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	12.5
55.01877	32.8
55.05503	26.6
57.03427	12.0
65.03945	8.9
67.05496	59.6
69.03432	39.6
69.07061	28.6
70.48672	15.6
71.04997	23.3
77.03184	4.5
79.05489	100.0
81.03419	40.1
81.07054	61.8
83.04959	12.0
83.08624	18.7
85.02912	31.8
85.06539	11.2
87.04454	7.7
91.05478	99.9
93.07040	99.8
95.04969	52.9
95.08584	24.9
97.02901	14.7
97.06519	16.8
97.10165	6.7
99.04447	14.7
99.08073	11.3
103.05499	5.6
105.04539	4.9
105.07031	47.1
107.04944	17.9
107.08589	20.7
109.02867	14.6
109.06514	23.6
109.10150	18.5
111.04428	8.6
111.08059	18.4
117.07017	13.7
119.04964	6.5
119.08595	25.5
121.06521	39.0
121.10150	13.8
123.04405	8.0
123.08075	16.4
123.11725	12.0
125.09676	4.8
125.32493	5.6
125.39975	5.2
127.03923	17.3
128.06271	7.7
129.06995	19.2
131.08548	25.1
133.06490	14.3
133.10141	21.7
135.08046	13.3
135.11699	11.1
137.05984	38.5
137.09651	5.9
137.13281	8.0
139.07544	66.1
141.06967	8.6
142.07822	8.1
143.08546	23.2
145.06520	11.9
145.10138	19.8
147.08084	11.5
147.11723	7.2
149.09618	15.8
151.07559	6.6
151.11215	10.8
153.01836	10.2
155.08586	16.0
157.10173	8.2
159.08089	10.4
159.11688	17.7
161.09587	12.8
161.13281	6.5
163.11186	7.4
165.09157	7.3
167.07138	7.0
167.08519	8.0
169.10139	11.8
169.12221	15.2
171.08046	6.1
171.11734	9.4
173.09691	11.5
173.13313	6.3
175.07471	11.7
175.11145	7.4
177.12595	5.9
183.11647	7.5
185.09737	6.6
185.13292	6.2
187.07558	7.5
187.11238	11.4
187.14832	5.1
189.12833	5.3
191.10666	6.5
193.12302	5.8
197.13345	6.0
199.11108	7.1
211.14859	8.3
225.16405	6.1
229.15814	6.7
235.20645	7.0
252.71878	5.5
253.21553	7.3
259.13287	5.4
265.10867	5.9
271.17072	11.7
289.14758	5.1
289.18073	14.1
290.99490	5.0
341.21039	6.9
359.22141	16.7
433.21970	8.3
451.18115	6.1
451.23218	57.5
451.32202	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.5
57.03433	0.5
65.03923	0.4
65.87560	0.3
65.94518	0.3
67.05505	0.7
67.58463	0.3
69.03422	1.1
69.26144	0.6
69.26542	3.3
73.02896	0.5
75.04482	0.8
79.05514	1.7
81.03397	0.9
81.07037	1.1
84.04509	0.7
85.02901	2.3
91.05473	3.5
93.07044	0.9
94.06548	1.0
95.04926	0.5
95.08556	0.4
95.80077	0.4
96.08124	1.3
97.02876	0.9
100.11253	0.6
103.05465	0.5
104.04971	0.6
105.05774	0.4
105.07022	0.6
106.04266	0.3
106.06551	2.2
108.08109	1.1
109.02849	0.8
109.10172	0.5
117.05787	0.4
118.06541	3.6
119.07315	0.9
119.08569	0.5
120.08102	12.9
121.00759	0.4
122.06024	0.4
122.09651	0.6
124.07581	6.5
126.09205	0.8
127.03896	0.8
134.06012	6.0
136.07538	3.0
137.02348	1.9
137.06004	0.8
138.05473	1.3
138.09192	0.4
146.05956	3.0
147.06828	2.6
148.07568	13.4
148.47583	0.4
150.09134	1.0
152.07071	1.7
153.01810	2.9
154.12270	0.6
164.07060	63.8
165.07593	0.6
166.08655	2.1
173.10867	0.4
180.06583	0.4
182.09612	0.5
200.10643	0.8
200.14455	0.4
202.12283	0.4
214.10966	0.7
215.15515	2.6
216.10184	1.2
225.14012	0.5
226.12276	0.8
228.10106	0.9
229.13373	1.6
232.09506	0.4
243.14926	7.3
245.16425	2.6
253.13354	1.9
254.11818	1.2
271.14398	21.4
287.05508	3.8
288.05826	3.9
289.06189	8.1
289.15454	100.0
290.15878	1.8
303.05066	1.4
304.05319	1.7
305.05496	3.5
433.15176	0.4
451.15509	0.8
451.20798	0.8
451.32407	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01989	0.4
55.05508	0.6
57.03424	0.6
65.11230	0.5
66.94696	0.5
67.05506	0.5
69.03410	1.4
69.07057	0.5
70.16219	1.4
75.04455	0.8
77.73612	0.4
79.05479	1.2
80.05021	0.5
81.03403	0.7
81.07033	1.2
85.02905	2.6
91.05470	3.1
93.07018	1.4
94.06560	1.2
95.04974	0.9
95.08618	0.7
96.08124	0.9
97.02890	1.0
99.04460	0.8
104.05023	0.5
105.05777	0.6
105.07030	0.9
106.06561	1.9
107.08576	0.7
108.08097	0.6
109.02865	0.5
109.10126	0.9
116.04984	0.5
117.05740	0.7
118.06564	2.8
119.08591	0.7
120.08106	14.4
121.10081	0.5
122.06008	0.5
122.09663	0.8
124.07598	7.7
126.09148	0.8
127.03904	0.8
133.10135	0.6
134.05997	5.8
136.07584	3.5
137.02303	2.1
137.05959	1.1
138.05460	1.7
138.09120	1.0
139.03984	0.5
146.05940	3.0
147.06786	2.0
148.07564	12.4
150.09138	1.1
152.07062	2.0
153.01791	2.3
164.07060	70.1
165.07857	1.0
165.28459	0.4
166.08652	2.5
200.10657	0.9
214.10881	1.0
215.15425	2.0
216.10190	1.5
228.10239	1.1
229.13321	1.6
232.09668	0.6
243.14932	6.9
245.16508	3.2
253.13287	1.0
254.11699	1.3
256.12149	0.5
271.14392	22.7
288.05643	0.7
289.15457	100.0
290.15817	2.0
304.05182	0.9
305.05600	2.4
323.20050	0.5
326.09747	0.5
451.15085	0.7
451.20432	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36797	1.2
56.96568	1.5
64.88512	1.2
69.03421	2.8
71.03880	2.5
77.11546	1.2
79.01834	3.0
81.03413	4.3
83.04998	2.2
85.02901	4.6
95.04980	1.5
97.02900	2.3
98.97545	1.3
99.04408	1.5
101.05994	2.0
107.01303	2.8
109.02892	4.1
125.02357	3.6
127.03928	7.8
143.03410	6.0
145.05016	2.5
153.01822	100.0
154.02165	2.9
156.23584	1.3
163.03900	5.0
171.02827	10.1
297.06061	2.9
303.01352	3.3
315.07092	9.4
382.76666	1.4
432.02603	1.5
451.17664	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	6.2
55.01865	2.8
55.05511	28.7
56.96579	1.7
57.03429	13.6
57.07064	2.0
65.03935	3.0
67.05504	100.0
69.03436	2.3
69.07064	27.1
71.01353	5.2
71.04983	7.9
77.26896	1.9
77.78373	1.8
78.41309	1.8
79.05492	82.0
81.03436	9.2
81.07056	94.2
83.04975	14.8
83.08625	15.1
85.06521	5.9
91.05482	38.5
93.07040	93.8
95.04967	18.8
95.08606	23.5
97.06528	23.2
97.10167	11.7
98.21554	3.0
99.04473	1.7
99.08091	4.6
105.04507	3.1
105.07040	16.3
107.04919	4.5
107.08590	56.0
109.06525	5.4
109.10159	8.9
111.08086	6.2
117.07009	14.7
119.08597	8.9
121.06551	4.7
121.10140	21.1
123.11728	3.4
125.09620	3.4
125.40247	1.8
129.06943	3.3
129.37628	1.6
130.07848	2.5
131.08540	10.6
133.10197	8.9
135.08034	2.3
135.11687	56.0
137.09610	2.3
143.08531	3.9
145.10115	10.6
147.11649	2.7
149.13263	30.5
153.12775	2.0
159.11681	11.8
163.11194	6.2
177.12758	7.9
181.12233	9.0
195.13817	8.5
199.13269	2.6
217.01581	1.9
255.34824	1.7
263.74222	2.1
264.46503	2.0
287.05518	40.0
288.05798	5.0
431.27847	4.1
449.29007	58.7
450.29300	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	450.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	12.1
55.01859	13.4
55.05505	8.8
57.97884	6.2
67.05463	8.5
69.03406	19.0
69.49456	60.6
71.04993	9.5
73.02914	8.6
78.42195	6.3
79.05495	49.0
81.03398	30.1
85.02908	43.5
91.05476	52.1
93.03391	9.6
93.07034	55.4
95.04976	35.6
97.02868	14.9
97.06522	13.5
99.04486	9.0
105.07011	13.6
106.04173	34.9
107.04916	7.7
109.02895	12.0
111.04404	9.8
114.35368	7.0
121.06516	48.9
123.08031	9.6
125.05988	16.4
133.04907	10.2
136.07555	24.7
137.05971	14.3
138.05478	15.8
139.07518	46.6
147.04335	6.6
149.06013	58.1
151.07549	13.9
153.01834	49.5
153.09102	15.3
154.02208	8.0
157.04799	6.1
164.07059	11.9
177.05486	22.4
181.08601	21.1
187.07558	7.1
190.88310	6.7
197.05882	6.5
209.08070	100.0
243.14925	8.6
257.32651	7.1
265.10727	20.6
287.05417	12.3
288.05795	29.3
289.15390	16.9
303.05008	10.7
304.05273	19.7
319.04410	8.0
432.20898	7.6
450.21265	10.5
460.80243	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	449.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.3
55.01871	3.7
55.05507	35.2
56.92699	1.7
57.02676	2.0
57.03431	17.4
59.05000	3.6
61.67532	1.8
65.03946	4.7
67.05503	65.5
69.03427	11.5
69.07072	23.5
71.04984	8.7
71.48858	1.7
71.58369	2.3
72.67212	2.3
79.05488	52.7
81.03413	37.5
81.03856	2.9
81.07053	100.0
82.07422	1.8
83.04979	14.7
83.08621	19.8
85.02894	21.3
85.06551	8.7
91.05479	59.1
93.07036	43.0
93.07625	2.1
95.04972	33.2
95.08598	41.9
95.09171	3.2
96.92494	1.6
97.02879	4.0
97.06525	9.7
97.10148	15.4
99.04494	2.2
99.08110	4.0
105.04536	1.8
105.07024	71.8
107.04942	9.5
107.08578	33.1
107.39887	1.7
108.57962	1.8
109.02885	2.2
109.06516	12.6
109.10149	19.0
111.04457	3.0
111.08063	12.0
113.05990	2.7
115.05426	3.2
117.07009	12.3
119.04918	2.2
119.08579	40.2
121.06504	10.4
121.10141	25.0
123.08070	7.9
123.10046	1.9
123.11720	9.4
125.09608	13.3
127.03849	3.1
128.06226	2.0
129.06989	12.1
131.08548	19.0
133.06494	4.0
133.10121	16.9
135.08034	6.3
135.11649	9.4
136.07565	2.8
137.06015	4.3
137.09647	5.5
137.13222	2.8
139.11179	1.8
141.07011	2.2
142.07788	4.4
143.08566	11.0
145.06487	3.9
145.10109	18.5
147.08080	5.0
147.11679	36.8
149.09612	7.2
149.13274	3.8
151.11095	3.0
152.76839	2.0
153.01849	5.1
155.08620	3.3
156.09392	2.9
157.10101	14.5
158.01006	2.0
159.02971	1.9
159.08081	5.1
159.11711	8.7
161.09647	3.3
161.13229	5.9
163.07617	1.9
163.11140	3.3
164.07074	3.1
165.12730	10.0
169.10133	3.2
171.11684	7.4
173.09648	4.2
173.13283	4.9
175.11179	10.7
175.14868	2.5
177.09132	2.4
181.10078	3.0
183.11722	4.7
185.13255	5.8
187.11258	2.4
187.14839	5.1
189.09151	4.3
189.11214	6.5
189.12808	6.3
189.16190	1.9
193.12242	33.2
195.11761	2.9
197.13194	2.8
198.13663	1.9
199.14844	4.1
203.14374	3.7
205.12297	2.2
205.15909	3.4
207.11887	2.1
209.13205	2.7
211.13258	21.9
215.10809	2.4
225.12814	2.1
227.12691	4.2
231.13693	2.5
239.16306	2.0
241.15862	2.1
247.16948	2.0
267.15955	3.3
285.16840	3.0
287.05313	9.6
308.96646	2.0
329.24646	3.8
339.23184	11.9
357.20303	3.0
357.24161	18.9
375.25354	5.7
413.26443	2.5
431.27954	15.1
449.29175	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	32.1
55.05509	68.3
67.05503	54.1
69.07053	19.4
69.95392	40.0
71.08627	10.0
79.05509	40.3
81.03440	6.6
81.07050	34.9
83.04969	21.9
83.08618	38.4
85.06562	7.9
91.05486	37.0
93.06482	7.4
93.07036	100.0
95.04975	57.5
95.08589	35.6
97.06507	13.9
97.10159	32.2
98.20902	8.6
99.04454	10.5
101.02563	6.0
105.07048	18.8
105.62774	5.8
106.00516	6.8
107.04950	14.0
107.08587	33.0
109.06510	9.4
109.10131	12.8
111.04449	41.3
111.08085	45.6
117.07040	6.7
119.08544	18.0
121.06481	15.0
121.10133	19.3
125.09622	22.5
127.66857	5.9
129.07018	10.2
131.08554	15.4
133.10106	6.2
133.41290	6.2
135.08038	9.3
135.11633	8.6
139.07523	26.2
145.10092	14.6
147.08018	10.3
147.11708	11.4
149.09596	21.5
153.09145	10.7
153.12660	7.5
156.56711	6.5
159.11671	10.2
163.11157	37.1
164.62744	6.0
173.09642	9.5
177.09045	8.5
181.12234	19.0
189.11166	21.8
191.10626	20.1
207.78722	7.2
209.11662	8.5
211.13254	7.3
223.13261	20.7
227.12704	13.6
237.14784	7.8
275.20117	39.0
293.21103	88.4
309.20575	7.0
311.22247	8.1
316.43893	6.2
395.25848	9.2
413.26749	15.2
431.27979	16.8
449.29004	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
57.03447	0.5
60.41828	0.5
61.02909	1.3
67.05495	1.1
68.99759	0.5
69.03419	1.4
70.89326	1.3
73.02900	1.1
79.01845	0.5
79.05479	2.4
81.03422	0.9
81.07047	0.8
84.57867	0.5
85.02892	2.4
87.89709	0.4
91.03932	0.7
91.05473	4.1
93.07037	1.6
95.04960	1.0
97.02886	1.9
103.05450	1.4
105.07018	8.9
107.04930	0.8
107.08592	1.2
109.02889	0.8
109.06487	0.7
115.05494	2.3
117.07014	3.5
119.04943	1.4
119.08537	1.3
120.08944	0.4
121.02841	1.0
121.06523	2.4
123.04398	1.2
123.08073	2.1
127.03875	0.9
128.06200	0.8
131.04893	0.7
133.06485	9.2
135.08044	1.0
137.05983	1.0
143.03464	0.6
143.06021	0.6
143.08589	0.5
145.06456	1.1
147.04439	0.7
147.08072	0.5
149.09579	0.6
151.07541	9.3
153.01833	6.1
161.05957	7.5
162.06798	2.5
165.01878	0.6
167.05627	0.9
167.07036	13.5
171.08026	1.0
175.07568	2.6
177.09100	100.0
178.06331	0.5
178.09439	1.3
179.07225	0.4
191.06938	0.6
192.07634	0.5
193.08601	39.2
194.09026	0.5
195.10167	6.2
201.01863	1.1
201.76901	0.5
203.10674	1.9
213.05434	0.5
221.11707	11.0
225.12483	0.5
229.01366	0.6
237.96849	0.4
257.00812	3.3
258.05142	0.5
267.12292	6.0
285.00241	5.3
287.05487	28.5
288.05853	1.7
302.00449	0.6
317.02844	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
55.01868	19.4
55.05509	50.4
56.94213	3.6
57.03431	4.5
57.07078	7.7
67.05508	47.3
69.03437	4.0
69.07058	20.5
69.58624	28.2
71.04990	4.7
79.05499	40.1
81.03415	5.8
81.07055	36.1
83.04983	29.9
83.08612	32.5
85.02914	4.5
85.06497	4.1
91.05471	33.8
93.07039	100.0
95.04970	42.3
95.08615	23.0
97.06548	9.2
97.10166	23.7
99.04417	4.0
99.08116	4.0
101.06015	5.0
105.07036	17.0
107.04953	12.4
107.08608	27.6
109.06523	12.1
109.10184	11.5
111.04448	36.7
111.08067	22.7
117.07021	11.7
119.08593	15.9
121.06492	12.3
121.10125	20.6
123.08054	5.2
125.09628	21.6
128.06247	3.7
129.06995	7.1
131.08559	11.5
133.06454	4.0
133.10153	11.3
135.08022	11.6
135.11705	11.7
137.05927	3.8
137.09572	3.5
139.07507	22.0
143.08568	4.2
145.10127	18.1
147.08047	7.9
147.11729	6.6
149.09642	19.7
153.09175	9.4
153.12769	10.1
155.08589	4.8
157.10114	4.3
159.11736	9.7
161.09627	4.8
163.11139	33.9
165.12753	5.6
169.10161	7.6
173.09619	5.8
173.13223	4.4
177.09105	6.3
177.12758	7.6
181.10120	4.0
181.12231	19.3
183.11806	4.8
189.11255	22.0
191.10614	22.2
193.12299	4.9
197.13243	3.6
205.12378	4.1
209.11737	4.5
223.13229	26.8
227.12770	12.7
247.20644	4.5
257.19055	4.4
261.18442	6.9
263.16446	10.2
275.20032	34.1
277.17847	3.5
287.05420	29.8
288.05978	4.3
289.98145	3.3
293.21106	74.5
309.20615	4.7
311.22534	4.1
329.21039	5.6
367.26239	4.0
395.25537	7.1
413.26788	12.7
431.27441	18.0
449.28961	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	449.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
57.03447	0.5
60.41828	0.5
61.02909	1.3
67.05495	1.1
68.99759	0.5
69.03419	1.4
70.89326	1.3
73.02900	1.1
79.01845	0.5
79.05479	2.4
81.03422	0.9
81.07047	0.8
84.57867	0.5
85.02892	2.4
87.89709	0.4
91.03932	0.7
91.05473	4.1
93.07037	1.6
95.04960	1.0
97.02886	1.9
103.05450	1.4
105.07018	8.9
107.04930	0.8
107.08592	1.2
109.02889	0.8
109.06487	0.7
115.05494	2.3
117.07014	3.5
119.04943	1.4
119.08537	1.3
120.08944	0.4
121.02841	1.0
121.06523	2.4
123.04398	1.2
123.08073	2.1
127.03875	0.9
128.06200	0.8
131.04893	0.7
133.06485	9.2
135.08044	1.0
137.05983	1.0
143.03464	0.6
143.06021	0.6
143.08589	0.5
145.06456	1.1
147.04439	0.7
147.08072	0.5
149.09579	0.6
151.07541	9.3
153.01833	6.1
161.05957	7.5
162.06798	2.5
165.01878	0.6
167.05627	0.9
167.07036	13.5
171.08026	1.0
175.07568	2.6
177.09100	100.0
178.06331	0.5
178.09439	1.3
179.07225	0.4
191.06938	0.6
192.07634	0.5
193.08601	39.2
194.09026	0.5
195.10167	6.2
201.01863	1.1
201.76901	0.5
203.10674	1.9
213.05434	0.5
221.11707	11.0
225.12483	0.5
229.01366	0.6
237.96849	0.4
257.00812	3.3
258.05142	0.5
267.12292	6.0
285.00241	5.3
287.05487	28.5
288.05853	1.7
302.00449	0.6
317.02844	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
53.77393	0.4
55.01863	2.0
55.05514	2.1
57.03427	0.7
65.03946	0.4
67.05503	2.5
67.12112	0.3
68.99772	0.5
69.03430	2.7
69.07048	1.2
69.93011	2.2
71.01333	1.5
71.04990	2.0
73.02914	0.6
79.01825	0.9
79.05486	3.2
81.03420	2.6
81.07058	2.6
83.04945	0.5
83.08612	1.8
85.02908	2.3
85.06543	0.7
87.04453	0.4
91.05479	5.3
93.07048	2.8
95.04961	1.5
95.08578	1.4
97.02883	1.2
97.06494	0.7
99.04405	0.4
103.05448	0.7
105.07030	3.8
107.04955	1.1
107.08575	0.8
109.02856	2.0
109.06526	0.9
111.08062	0.4
115.05447	1.2
117.07006	2.5
119.04897	0.5
119.08591	2.0
121.02854	0.9
121.06488	1.3
121.10149	0.4
123.04410	0.7
125.02367	0.9
126.05639	0.4
127.03894	2.0
128.06203	1.9
129.07002	3.9
131.08571	3.3
133.06482	0.4
133.10091	0.7
135.04465	0.4
135.08064	0.6
137.02336	5.0
141.06969	2.2
142.07777	1.0
143.03369	0.5
143.04961	0.6
143.08549	3.3
145.06458	2.1
145.10147	2.1
147.04326	0.7
147.08049	1.6
147.11609	0.4
149.02373	0.5
149.09564	0.4
153.01813	5.5
153.06985	1.1
154.07768	0.8
154.20706	0.4
155.08545	2.8
157.06479	1.4
157.10117	1.9
159.08047	1.8
159.11636	0.6
161.05919	0.8
161.09583	1.0
165.01846	0.5
165.07010	1.0
167.08592	2.1
169.06490	0.7
169.10110	1.8
171.04346	0.5
171.08060	1.7
171.11650	0.6
173.06018	0.4
173.09605	1.1
175.07564	0.8
179.03331	0.5
179.08534	1.6
180.09473	0.5
181.10132	1.6
182.10883	0.5
183.08046	1.0
183.11670	1.2
185.05975	1.3
185.09602	1.3
185.13223	0.6
187.07503	0.4
187.11148	0.4
191.08633	0.4
193.10162	0.8
195.07968	0.8
195.11734	1.0
197.09543	0.8
197.13234	0.9
199.11143	0.9
199.14886	0.5
205.10222	0.6
207.11667	0.7
209.09627	1.1
209.13318	1.4
211.11182	0.5
211.14873	1.1
213.05510	2.4
213.09068	0.5
217.12323	0.4
221.13408	0.6
223.11079	0.6
223.14819	0.5
225.16315	0.4
227.10567	0.5
227.14372	0.7
229.15796	0.5
231.06583	1.3
235.14558	0.4
239.10732	0.5
239.14342	0.6
241.04993	0.8
241.15916	0.7
243.13791	0.5
245.15503	0.4
251.14281	0.4
253.15871	1.0
258.05243	0.5
259.06064	0.5
259.17090	0.8
263.14410	0.4
269.15332	1.6
287.05490	100.0
288.05829	5.0
299.05594	0.5
329.17685	0.6
370.01480	0.4
383.18225	0.4
401.19672	1.5
413.19501	0.5
431.09671	0.5
431.20639	2.1
438.06076	0.5
449.11090	0.5
449.16208	0.8
449.21790	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	449.1079
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
50.01604	0.3
50.78003	0.3
53.03933	1.2
53.58847	0.2
53.80144	0.3
54.17312	0.3
55.01869	0.6
55.05504	0.4
57.03419	1.0
61.02930	1.5
64.63077	0.3
67.05491	0.5
67.31155	0.3
68.99783	1.2
69.03427	3.6
69.07050	0.4
71.04983	0.7
71.57236	0.4
73.02898	0.5
73.60424	0.3
79.05475	1.1
81.03418	3.1
81.07059	1.7
83.04972	0.4
85.02905	8.9
87.04443	0.4
91.05476	0.6
93.07034	0.7
95.04942	0.4
97.02895	3.5
99.04398	0.6
105.03381	0.4
105.07050	0.5
107.04931	0.8
109.02888	2.5
109.06498	1.2
111.00796	0.9
111.04428	0.5
117.07017	0.4
118.33908	0.3
119.04930	0.3
119.08535	0.4
121.02864	4.3
127.03928	2.4
129.06970	0.7
131.08565	0.3
133.02829	0.7
135.04402	0.4
136.07507	0.5
137.02328	1.5
137.05943	0.9
140.24046	0.3
141.06975	0.4
143.03432	0.5
143.08575	0.3
145.04950	1.2
145.06500	0.4
147.04407	0.9
153.01831	10.1
157.06458	0.7
157.10088	0.4
161.05983	0.4
165.01826	1.9
167.07062	0.5
171.04440	0.4
173.09686	0.4
177.05458	0.5
177.09019	0.8
183.02878	0.9
185.05946	0.6
193.08553	0.4
197.05983	0.6
203.07010	0.4
213.05504	1.9
225.79504	0.3
229.05074	0.3
231.06560	1.0
241.04977	1.0
250.34999	0.3
258.05267	1.6
259.06204	0.4
264.27127	0.3
269.12796	1.1
287.05490	100.0
288.05829	3.7
297.07535	0.3
299.05499	3.2
300.06030	0.6
311.05515	0.5
317.02890	0.4
325.07013	0.5
329.06497	1.9
353.06448	1.0
365.06470	0.6
383.07663	0.5
395.07471	0.7
413.08667	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
51.41033	0.4
55.01872	0.9
55.05504	0.6
57.03431	1.7
68.11258	0.4
68.99788	1.2
69.03425	0.5
70.15664	2.1
71.04996	0.7
73.02914	11.7
75.04483	3.8
79.05513	0.5
81.03390	0.8
81.07053	1.2
83.04961	0.6
85.02901	2.9
87.04472	0.8
90.57610	0.4
91.05463	1.7
93.07040	0.9
97.02840	0.9
99.04409	0.7
99.08034	0.5
105.07047	0.7
107.04961	0.6
109.02822	0.6
111.00794	0.5
115.05448	0.5
117.07027	0.8
121.02847	1.9
124.43098	0.5
127.03905	0.7
131.08604	0.5
135.93698	0.4
136.07622	0.6
137.02328	3.1
137.05951	0.7
149.05951	0.5
153.01833	8.4
153.03044	0.9
157.06476	0.5
165.01857	1.2
173.05949	0.5
183.02887	0.6
213.05440	2.6
229.04935	1.2
231.06674	0.6
241.04828	0.7
257.04471	0.7
258.05289	0.9
273.03748	0.6
287.05487	100.0
288.05838	3.9
302.04370	1.0
303.01529	1.1
303.04977	17.5
304.05240	1.7
305.05316	2.7
317.06479	5.8
362.63449	0.5
449.10776	1.1
449.22067	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
51.57428	0.3
53.03941	0.8
55.01854	0.6
57.03418	1.0
61.02917	1.3
67.05488	0.5
68.99779	1.0
69.03428	3.5
69.52938	0.3
70.56355	1.3
71.04962	1.0
73.02883	0.7
79.05478	0.6
81.03416	2.6
81.07043	0.5
84.93966	0.4
85.02908	9.4
91.05458	1.1
93.07027	0.7
93.18407	0.3
95.04964	0.6
97.02892	3.4
99.04428	0.5
107.04974	0.9
109.02881	1.9
111.00808	0.8
121.02855	3.4
123.08028	0.5
124.07585	1.0
127.03940	2.2
129.06975	0.6
133.02831	0.3
136.07570	6.9
137.02325	1.6
137.05943	0.5
145.04944	1.2
145.10088	0.5
147.04413	0.6
152.07030	1.6
153.01828	7.4
157.06506	0.9
164.07060	6.8
165.01849	1.9
171.04417	0.5
183.02882	1.1
185.06114	0.4
194.11186	0.4
213.05516	2.1
231.06487	0.8
241.04889	1.3
257.04852	0.4
258.05209	1.0
259.05862	0.4
269.12811	0.5
287.05487	100.0
288.05814	2.9
297.07443	0.5
299.05542	0.4
329.06503	0.7
449.08899	0.4
449.21252	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
57.03436	0.8
61.02924	1.3
69.03430	3.0
69.26099	4.0
69.26519	5.2
74.24166	0.8
77.96071	0.8
81.03430	1.1
83.52091	0.8
85.02899	8.7
85.45090	1.0
97.02890	1.9
100.49075	0.8
109.02878	0.8
121.02862	3.6
124.94805	0.8
125.62274	0.8
127.03905	1.8
128.12631	0.9
137.02266	1.0
145.04933	1.1
153.01808	5.7
165.01840	2.6
183.02954	0.9
213.05620	1.5
241.04803	1.4
243.63412	0.8
258.05362	1.3
282.05792	0.9
287.05499	100.0
288.05878	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	449.1073
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
50.03506	0.6
61.02929	6.3
69.03424	1.7
69.25837	5.7
69.26250	2.4
73.02887	1.7
85.02899	6.0
90.33201	0.5
91.03955	3.7
97.02894	3.0
97.84531	0.6
103.81644	0.6
115.14506	0.7
121.02857	3.0
127.03864	0.9
153.01822	7.6
165.01852	1.5
182.54665	0.6
183.02884	1.5
185.05992	0.8
213.05609	0.8
258.05292	1.1
287.05475	100.0
288.05893	4.2
299.05597	0.9
336.31598	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
53.03937	1.3
55.01857	1.4
55.05507	1.3
55.27121	0.5
57.03429	4.6
61.12225	0.5
65.03886	0.5
67.05495	1.5
68.99795	1.1
69.03085	0.5
69.03407	3.1
69.07034	0.6
71.01347	0.6
71.04990	26.7
71.33131	0.7
73.02919	1.0
75.04455	0.9
75.20257	0.5
79.05471	2.3
81.03406	1.9
81.07063	2.5
81.08573	0.4
83.04978	1.0
83.08608	1.5
85.02901	24.2
85.06532	1.0
86.78931	0.5
87.04498	0.6
91.05464	2.6
93.03391	0.6
93.07021	2.2
95.04955	1.9
95.08594	1.6
97.02870	1.8
103.05453	0.5
105.07021	1.9
107.04929	0.9
107.08620	0.9
109.02872	2.4
109.06511	1.2
109.10088	0.5
111.00793	0.6
111.04423	0.9
111.08085	0.7
115.05515	0.6
117.06947	1.1
119.08539	1.2
120.08092	1.5
121.02840	1.6
121.06487	0.6
123.04459	0.7
123.08025	0.7
124.07576	1.6
127.03915	1.4
129.05481	5.5
129.06960	1.1
131.08557	0.9
133.06465	1.4
135.04410	0.6
136.07571	11.4
137.02344	5.2
137.05959	0.9
139.07504	1.0
143.08549	1.1
145.06471	1.0
149.02354	0.7
149.05980	1.1
150.05476	0.6
152.04849	0.6
152.07080	2.4
153.01836	9.8
153.02991	1.0
155.56764	0.5
161.05908	1.4
163.03906	1.2
164.07068	9.9
165.01874	2.1
167.07016	1.7
167.08481	0.8
169.10017	0.8
173.06044	1.3
175.07500	0.6
177.09093	7.2
183.02959	1.0
193.08606	2.4
197.09526	0.6
201.05495	2.1
209.08131	0.9
213.05429	0.8
221.11673	0.8
226.10925	0.8
229.04936	5.4
252.09358	1.1
257.04486	3.6
269.12894	2.6
274.04727	1.1
285.03870	2.0
287.05496	13.7
287.10483	0.9
287.13828	3.6
290.00534	0.6
303.04974	100.0
304.05328	3.0
315.05002	1.3
319.36163	0.6
345.06015	1.7
413.08594	0.7
416.30753	0.5
431.20630	0.8
449.14465	0.9
449.23410	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01865	3.7
55.05507	2.0
57.03434	5.2
60.09343	1.8
61.02927	1.9
67.05500	3.2
69.03426	6.1
69.07075	2.5
69.22858	1.7
69.41402	15.5
71.04985	7.5
73.02915	22.1
74.03252	2.9
75.04475	4.2
79.05492	7.2
81.03413	7.0
81.07052	11.7
83.04981	4.9
85.02905	20.4
85.06553	4.2
91.05474	7.8
93.07047	13.9
95.04974	9.3
95.08609	2.2
97.02897	4.9
97.06526	7.9
99.04460	10.5
105.07017	13.2
106.83709	1.5
107.04977	3.1
107.08596	8.1
109.02881	5.5
109.06491	10.2
111.00792	1.3
111.04472	3.1
113.06037	2.3
115.03902	1.9
117.07010	4.2
119.08537	8.4
121.02847	2.4
121.06505	6.2
121.10142	10.4
122.05135	1.4
123.07150	1.6
125.05996	6.5
127.03896	4.5
127.07561	5.1
129.05489	2.3
129.06963	1.7
131.08586	6.1
133.06497	2.6
133.10132	3.6
135.08047	2.8
135.11720	4.7
137.02322	5.8
137.06020	6.3
141.05428	1.6
143.07043	9.7
143.08562	4.0
145.04948	2.1
145.06514	3.3
145.10112	23.0
147.08023	2.5
147.11661	2.0
151.07483	2.4
153.01820	15.8
154.02144	2.4
155.07077	2.9
159.08089	2.3
159.11723	6.6
162.24890	1.6
163.11183	21.0
165.01814	3.7
169.10092	1.7
169.84488	1.7
173.09630	9.0
175.07581	2.4
181.12244	2.5
185.09586	1.8
187.11172	18.6
191.10648	9.9
201.05513	2.1
205.12204	13.0
209.11768	4.5
210.63300	1.8
215.10730	12.0
229.04933	3.0
230.05304	3.7
233.11720	19.1
249.11174	1.7
251.12773	17.3
258.04617	2.4
269.13974	8.9
287.05493	25.3
303.01953	1.8
303.04965	63.2
304.05304	100.0
305.05573	6.9
313.65573	1.8
325.16446	4.7
377.15967	11.0
395.16940	7.7
413.17880	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	448.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50293	3.0
55.01855	5.3
55.05492	7.4
56.05018	8.8
57.03412	5.1
58.06603	3.7
60.04519	11.1
60.89009	3.4
61.02919	4.2
62.06079	14.3
66.48218	3.3
67.05494	8.2
69.03413	18.4
69.07050	6.7
69.76383	21.3
70.06592	5.6
70.15717	3.5
71.04987	9.2
73.02887	4.3
79.05476	9.7
81.03399	8.5
81.07038	15.6
82.06559	3.7
83.04963	6.6
84.04481	5.7
84.08129	6.3
85.02912	29.6
85.06531	4.0
86.06059	7.8
87.04469	7.5
87.67390	3.3
91.04958	3.8
91.05473	9.6
93.07024	14.4
95.04955	11.0
95.08595	10.8
96.08115	6.9
97.02907	17.1
98.06033	5.9
98.21144	11.5
99.04465	7.0
100.03944	3.9
100.07629	4.4
105.07010	16.0
107.08571	17.1
108.08103	8.7
109.02856	6.6
109.06499	14.3
109.10143	7.5
110.06071	5.5
111.08040	4.5
112.07600	4.0
113.06021	6.7
119.08552	10.8
121.10156	20.4
122.09647	6.7
123.08033	6.0
123.11700	3.6
127.03909	9.6
129.05505	5.7
131.06998	5.7
131.08524	11.1
133.10120	29.1
135.11679	10.1
137.09586	5.6
139.07523	4.3
145.04980	7.0
147.11624	9.4
148.09641	5.2
153.01836	16.7
154.07365	6.0
154.08627	100.0
159.11685	5.4
173.13234	22.6
175.14825	4.8
177.17212	3.3
184.48970	3.9
189.12703	4.9
190.15927	7.3
191.14272	12.4
208.16965	5.1
232.17024	6.1
234.18571	5.5
250.18008	17.6
252.19704	4.6
268.19019	28.1
270.20776	3.7
286.20114	29.8
287.05487	15.8
330.18341	3.8
430.24237	18.1
448.19461	6.0
448.25345	32.3
468.67224	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	448.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01883	0.9
55.05508	1.4
55.85900	0.5
57.03438	9.7
59.04994	0.7
61.02922	1.2
63.23882	0.5
69.03424	2.2
70.70466	1.4
71.01353	0.6
71.04992	70.6
73.02921	2.6
75.04471	3.6
81.03419	1.4
83.04980	8.2
85.02904	100.0
87.04470	2.3
91.03962	0.5
91.05484	1.0
95.04989	0.7
97.02882	5.0
99.04459	1.7
105.07021	2.7
109.02844	1.6
110.06042	0.8
111.04442	4.7
124.92086	0.5
127.03905	6.1
127.91901	0.5
129.05479	42.5
129.20517	0.5
133.06424	0.8
136.07561	1.1
145.04959	6.1
146.08139	1.1
147.06519	24.8
153.01762	1.8
163.05998	3.1
164.09177	5.4
165.07530	0.5
177.09041	1.4
178.32715	0.5
240.15697	0.7
255.08533	2.2
273.09488	0.6
273.20425	0.5
285.13147	0.7
287.02618	0.7
287.05502	8.4
303.05069	3.0
309.11694	1.2
410.22855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01865	3.7
55.05507	2.0
57.03434	5.2
60.09343	1.8
61.02927	1.9
67.05500	3.2
69.03426	6.1
69.07075	2.5
69.22858	1.7
69.41402	15.5
71.04985	7.5
73.02915	22.1
74.03252	2.9
75.04475	4.2
79.05492	7.2
81.03413	7.0
81.07052	11.7
83.04981	4.9
85.02905	20.4
85.06553	4.2
91.05474	7.8
93.07047	13.9
95.04974	9.3
95.08609	2.2
97.02897	4.9
97.06526	7.9
99.04460	10.5
105.07017	13.2
106.83709	1.5
107.04977	3.1
107.08596	8.1
109.02881	5.5
109.06491	10.2
111.00792	1.3
111.04472	3.1
113.06037	2.3
115.03902	1.9
117.07010	4.2
119.08537	8.4
121.02847	2.4
121.06505	6.2
121.10142	10.4
122.05135	1.4
123.07150	1.6
125.05996	6.5
127.03896	4.5
127.07561	5.1
129.05489	2.3
129.06963	1.7
131.08586	6.1
133.06497	2.6
133.10132	3.6
135.08047	2.8
135.11720	4.7
137.02322	5.8
137.06020	6.3
141.05428	1.6
143.07043	9.7
143.08562	4.0
145.04948	2.1
145.06514	3.3
145.10112	23.0
147.08023	2.5
147.11661	2.0
151.07483	2.4
153.01820	15.8
154.02144	2.4
155.07077	2.9
159.08089	2.3
159.11723	6.6
162.24890	1.6
163.11183	21.0
165.01814	3.7
169.10092	1.7
169.84488	1.7
173.09630	9.0
175.07581	2.4
181.12244	2.5
185.09586	1.8
187.11172	18.6
191.10648	9.9
201.05513	2.1
205.12204	13.0
209.11768	4.5
210.63300	1.8
215.10730	12.0
229.04933	3.0
230.05304	3.7
233.11720	19.1
249.11174	1.7
251.12773	17.3
258.04617	2.4
269.13974	8.9
287.05493	25.3
303.01953	1.8
303.04965	63.2
304.05304	100.0
305.05573	6.9
313.65573	1.8
325.16446	4.7
377.15967	11.0
395.16940	7.7
413.17880	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	447.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87512	2.3
53.03947	12.6
54.67864	2.4
55.01859	9.4
55.05515	36.2
57.03436	13.4
65.03928	4.8
65.46225	2.2
67.05503	77.7
69.03419	5.4
69.07071	19.5
71.01351	4.9
71.04982	9.8
71.08605	3.6
79.05489	69.3
81.03418	100.0
81.07052	47.6
83.04991	19.1
83.08617	28.6
85.02903	6.7
85.06532	5.7
91.03933	4.3
91.05479	68.2
93.07037	66.5
95.04967	59.7
95.08602	30.2
97.02891	4.8
97.06536	15.0
97.10162	20.4
98.21677	2.0
99.04453	2.9
99.08079	4.1
103.05440	3.0
105.06388	3.9
105.07029	44.0
107.04964	15.9
107.08590	43.4
109.06517	13.9
109.10162	13.1
111.08073	13.5
115.05463	5.8
117.07018	18.2
119.08582	34.4
121.06500	13.8
121.10143	20.4
123.08077	5.7
123.11665	3.6
125.09623	9.0
128.06303	2.7
129.06990	20.2
131.04907	2.9
131.08568	23.5
133.06494	5.6
133.10107	17.3
135.08038	5.3
135.11681	48.7
137.09633	6.3
141.06937	3.6
142.07733	4.8
143.08585	9.1
145.06464	9.0
145.10139	20.8
147.08009	8.9
147.11700	17.2
149.02351	3.5
149.09615	7.9
155.08559	4.3
157.10081	18.9
159.08000	5.1
159.11696	9.8
161.09604	5.8
161.13234	3.7
163.11214	13.7
169.10083	6.0
171.11658	3.6
173.09636	3.3
173.13240	5.1
175.11221	15.9
179.10605	2.4
181.12250	5.0
183.11702	6.0
185.13284	8.3
187.11098	3.8
189.11208	6.7
193.12219	38.1
201.12717	3.2
203.14307	6.0
205.12274	5.9
209.13234	4.5
211.13182	4.3
221.13396	3.2
225.12613	3.3
231.13948	3.3
243.13695	3.6
249.14807	5.1
257.15137	3.2
261.15005	3.0
327.23010	5.7
329.20975	11.7
337.21698	10.3
355.22684	17.5
373.23834	9.9
398.41159	2.6
403.24661	8.1
411.24915	3.4
429.25867	12.1
429.33804	5.1
447.27374	89.4
448.27762	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	447.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	11.9
55.01871	6.0
55.05514	37.3
57.03430	12.9
57.07080	3.6
65.03926	4.4
67.05502	83.3
69.03423	5.5
69.07069	18.9
71.01351	2.5
71.04995	10.7
79.05494	73.7
81.03416	100.0
81.07053	41.8
83.04990	18.1
83.08619	22.9
85.02888	3.1
85.06544	5.0
91.05477	57.2
93.07041	67.0
95.04967	54.1
95.08607	20.0
97.02867	3.3
97.06515	12.8
97.10169	16.2
98.21503	8.2
99.08104	3.1
103.05454	2.9
105.07030	40.8
107.04990	18.7
107.08594	38.8
109.06519	9.6
109.10143	14.1
111.04523	2.6
111.08088	10.3
115.05420	3.9
117.07027	15.1
119.08587	26.9
121.06490	12.4
121.10128	14.9
123.08057	5.0
125.09620	7.5
129.07007	20.2
131.04965	5.1
131.08586	19.1
133.06505	6.6
133.10146	12.4
135.08054	7.0
135.11682	46.4
137.09637	4.1
141.07021	4.1
142.07774	4.0
143.08551	6.5
145.06502	10.2
145.10110	19.3
147.08026	6.8
147.11710	12.1
149.09593	8.1
155.08536	4.8
157.10156	13.3
157.50058	2.5
159.08054	4.0
159.11742	6.6
163.11183	12.4
165.09203	2.8
175.11148	14.0
176.75226	2.5
181.12236	6.4
185.13356	6.2
187.11159	4.6
189.11267	6.3
193.12245	41.6
197.13242	2.8
203.14351	6.4
205.12270	2.9
227.12706	3.6
229.42230	3.7
249.14786	5.4
261.14874	2.8
311.20087	3.0
329.21088	10.4
337.21671	7.8
355.22665	16.4
373.23749	10.4
403.24741	11.1
429.26355	13.4
447.27399	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.8
55.01867	10.2
55.05508	45.8
57.03439	14.2
57.07071	2.8
57.95438	2.7
61.02915	6.7
62.53370	2.5
65.03928	4.0
66.37988	2.3
67.05504	87.1
67.66606	2.4
69.03425	11.6
69.07058	23.6
70.70395	5.4
71.01362	3.4
71.04977	9.6
73.02926	5.8
77.03943	3.0
79.05492	86.3
81.03416	100.0
81.07058	64.1
83.04987	18.7
83.08620	24.1
85.02885	10.8
85.06537	7.3
90.03964	2.7
90.39191	3.0
91.04913	3.7
91.05472	75.9
93.06477	4.6
93.07043	76.3
93.32876	2.8
94.07394	2.8
95.04964	56.5
95.08598	30.0
97.02881	10.4
97.06519	13.5
97.10176	20.6
99.04494	4.9
105.07027	47.1
107.04949	16.8
107.08584	42.5
109.02844	4.2
109.06516	10.0
109.10167	19.0
111.04491	3.5
111.08060	13.3
114.11498	2.7
115.05433	5.5
117.07008	19.9
119.04961	4.3
119.08586	39.2
121.02864	3.2
121.06515	16.8
121.10160	21.9
123.04433	2.9
123.08096	8.1
123.11687	6.9
125.09621	12.8
127.03900	4.7
127.07571	4.0
128.06262	5.0
129.06987	26.8
131.04965	5.6
131.08554	30.2
133.06505	7.8
133.10123	17.2
135.08052	8.8
135.11694	45.9
137.05965	4.8
137.09584	6.5
139.03963	2.9
141.06966	6.3
142.07761	8.1
143.08557	10.9
145.06494	11.4
145.10106	22.8
147.08099	8.8
147.11659	17.1
149.02338	12.1
149.09624	12.9
151.07425	3.1
153.09105	3.5
153.12779	4.5
155.08566	4.4
157.06544	5.5
157.10104	21.5
159.08043	5.9
159.11685	10.1
161.09648	3.3
161.13261	3.7
163.11218	16.9
169.10188	6.7
171.11661	6.5
173.13229	5.8
175.11198	14.4
175.14787	3.1
177.09074	3.3
181.12222	7.0
183.11656	3.5
185.09589	3.9
185.13272	9.9
187.11148	4.5
189.11264	3.3
189.12811	3.3
193.04977	9.2
193.12231	39.9
197.13246	4.4
199.11290	3.1
201.12802	5.4
203.14308	8.4
207.11879	2.9
207.13736	3.4
211.13177	5.2
219.13785	3.9
225.12656	4.6
227.12830	7.2
237.07552	5.3
249.14893	5.6
259.17123	3.1
291.87265	3.5
327.23065	3.5
329.21027	10.4
337.21609	9.6
355.22717	22.1
373.23831	10.9
385.09155	5.4
403.24692	5.2
411.24747	3.3
429.11856	5.4
429.26376	18.7
429.62930	3.7
431.78903	2.8
435.77603	3.2
447.27390	88.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	14.3
53.67444	7.2
55.01875	21.5
55.05518	37.4
67.05504	54.8
69.03445	7.0
69.07069	11.6
69.93703	43.6
70.21953	6.9
71.05000	8.6
79.05496	40.8
81.07047	100.0
83.04989	26.8
83.08617	20.4
91.05474	33.9
93.07041	89.7
95.04958	14.5
95.08609	25.1
95.17381	7.7
95.77717	8.2
97.06590	9.4
97.10170	24.5
98.21499	10.7
105.07043	16.9
107.04933	7.6
107.08620	19.0
109.06547	19.5
109.10209	11.1
111.04444	34.9
111.08092	20.0
117.07061	15.5
119.08591	21.2
121.06532	10.7
121.10146	18.4
123.08089	25.4
125.09637	19.7
129.07022	12.5
131.08594	22.6
135.08093	9.1
135.11679	13.4
137.89381	7.5
139.07552	14.4
143.08554	8.9
145.10075	22.4
147.08075	18.1
147.11630	9.5
149.09554	12.3
153.08997	10.0
153.12750	8.4
155.08612	9.4
159.11716	11.1
161.09677	8.7
163.11186	20.6
171.11775	9.9
181.12215	23.7
189.11215	15.3
191.10672	18.7
209.11761	9.1
227.12752	17.8
259.54886	8.2
273.18530	30.8
291.19458	51.0
447.27109	60.0
447.67484	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	447.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.3
55.01871	20.0
55.05514	38.7
57.03433	4.2
59.62482	2.8
65.03926	4.4
67.05513	37.1
69.03434	3.8
69.07062	12.3
69.42113	22.8
69.42525	7.0
71.04970	6.7
79.05500	51.2
81.03414	6.9
81.07061	100.0
83.04993	27.8
83.08612	15.0
85.02889	4.0
91.05481	31.0
93.07049	87.8
95.04971	26.4
95.08611	25.4
97.06542	8.1
97.10171	22.3
105.07025	25.1
105.33120	4.1
107.04942	10.4
107.08590	26.1
109.06511	14.9
109.10139	10.2
111.04454	33.9
111.08121	19.8
111.24354	2.8
112.76902	3.7
115.05491	4.3
117.07030	12.3
119.08593	21.2
121.06508	18.3
121.10143	9.4
123.08069	28.8
123.95004	3.2
125.09625	24.9
129.07037	5.8
131.08539	18.1
133.10121	12.1
135.08046	9.8
135.11699	8.1
139.07552	25.9
139.11090	3.7
143.08592	3.7
145.06483	4.4
145.10130	19.7
147.08032	17.0
149.09608	8.0
153.12724	9.6
155.08527	8.1
157.10065	8.1
159.08057	4.5
159.11682	5.4
161.09578	8.3
163.11183	19.4
169.10121	4.6
173.09593	10.9
173.13121	4.9
181.10094	3.2
181.12210	19.3
185.09587	4.1
189.11218	16.1
191.10664	25.9
201.12723	6.4
207.10130	4.5
223.13239	7.0
227.12788	15.2
243.13858	4.9
255.17467	3.8
259.16852	3.8
261.14807	8.0
273.18472	26.7
291.19565	54.8
307.18884	3.7
309.20346	6.0
383.26068	4.0
404.94080	3.1
411.25198	8.4
429.26291	13.6
447.27441	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49322	8.6
60.28145	8.7
69.03434	20.5
70.12926	41.4
81.03417	21.7
85.02917	31.5
85.04874	9.4
93.07045	13.7
97.02888	21.0
98.21438	9.2
104.67162	9.1
105.07030	22.9
107.08614	12.1
109.02902	17.4
127.03900	16.6
133.06494	12.4
141.06262	8.6
148.11185	10.5
153.01846	12.0
159.11649	11.0
167.05544	10.5
204.17401	59.1
220.16982	17.5
222.18550	28.9
236.81314	10.7
240.10332	9.6
248.16490	100.0
249.14871	40.4
266.17578	24.9
284.18579	92.0
303.01379	9.7
338.88123	9.6
360.03006	10.8
446.23825	12.5
467.37247	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	447.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38069	0.5
53.03941	0.9
56.96561	0.9
69.03429	100.0
69.94838	2.0
69.95251	1.2
70.03759	0.9
70.43980	0.5
76.94622	0.5
81.03421	2.7
85.02908	2.7
91.05828	4.4
93.05502	0.8
97.02908	1.8
98.97604	0.7
99.04441	0.7
109.02906	2.1
111.04453	0.6
127.03919	8.8
147.04478	1.1
149.02383	1.7
153.01836	8.7
153.02969	0.7
167.05664	1.4
171.03012	1.0
173.02374	0.7
185.02400	0.7
187.03960	1.3
188.29213	0.6
191.03493	1.7
200.16444	0.5
200.86789	0.5
201.01912	1.8
203.03481	1.0
213.01955	1.1
215.03458	1.4
219.02979	0.8
220.12619	0.5
229.01427	1.9
231.02953	5.9
241.01288	0.6
246.07147	0.6
247.02452	3.7
248.22394	0.6
257.00876	1.3
259.02377	10.4
259.04782	0.7
275.01947	4.6
277.03436	53.3
278.03842	1.8
285.06192	0.7
303.01349	29.7
321.02411	3.1
359.03372	0.7
361.02835	2.6
447.05588	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	447.092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
57.03435	0.9
59.04989	0.6
60.63213	0.3
68.99792	0.9
69.03410	0.9
69.94408	0.8
69.94829	1.0
71.01345	0.9
71.04983	1.3
73.02918	6.2
81.03407	0.8
81.07060	0.3
85.02901	0.8
87.04433	0.5
93.03388	0.5
95.04977	0.6
98.21460	0.5
99.04438	2.2
109.02894	0.7
111.00784	1.4
115.86318	0.4
117.05480	1.6
121.02876	1.3
127.03915	0.3
137.02339	4.3
145.02896	0.3
149.02336	0.7
153.01813	5.4
161.06018	0.4
163.03902	0.8
165.01831	2.1
173.06044	0.6
183.02881	0.9
187.03894	0.4
191.03423	0.5
201.05505	2.0
228.04222	0.4
228.17021	0.4
229.04944	6.1
232.83493	0.3
236.44569	0.4
247.06021	0.7
257.04456	3.0
274.04578	0.9
285.03925	1.6
302.04102	0.5
303.04977	100.0
304.05338	2.1
413.05847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78709	0.4
67.05512	0.6
68.99780	1.0
69.03439	0.6
70.60725	1.0
70.61128	1.0
71.04947	0.6
73.02913	13.4
81.03407	0.9
81.07047	0.8
81.68889	0.5
85.02895	1.3
87.04452	1.1
95.04953	0.8
97.02911	1.1
97.82661	0.5
99.04444	0.8
105.07026	0.6
111.00771	0.7
121.02867	0.9
123.04411	0.6
127.03944	0.7
137.02344	4.7
137.05916	0.6
149.02306	0.9
153.01819	7.8
163.03885	1.1
165.01794	2.5
173.05991	0.7
183.02827	0.9
201.05493	1.7
229.04945	5.5
232.34367	0.5
257.04391	2.8
274.04825	0.6
285.03995	1.8
303.04977	100.0
304.05365	2.6
447.12622	0.8
447.18436	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	18.3
57.07080	9.2
62.25200	6.4
65.03941	8.3
67.05510	51.9
69.03421	25.5
69.07066	28.0
71.04984	23.3
76.40366	7.4
79.05473	35.1
81.03406	21.5
81.07056	87.8
83.04956	10.0
83.08608	17.4
85.06535	31.8
91.05422	14.2
91.05846	14.9
93.07054	52.5
95.04966	11.6
95.08588	88.4
97.02913	14.9
97.10168	8.3
98.20741	21.0
105.07014	46.1
107.08579	100.0
109.06504	12.0
109.10145	75.9
111.08107	11.1
119.08595	70.4
121.06487	8.2
121.10136	90.1
123.08070	8.4
123.11694	33.4
125.09663	21.9
127.03966	9.4
129.06912	11.7
131.08553	22.2
133.10135	66.4
135.08070	12.6
135.11685	37.7
137.13211	8.7
143.08571	11.2
145.10139	35.4
147.11707	34.6
149.09615	8.4
149.13229	22.8
151.14915	8.6
153.09135	16.5
157.10114	18.8
159.11665	21.2
161.13274	26.2
163.07599	8.1
163.11226	14.0
163.14789	20.9
167.10695	8.7
171.11627	11.4
173.13257	25.1
175.11302	14.1
175.14807	37.6
181.12254	10.4
185.13298	13.0
187.14862	21.4
187.76640	8.0
189.16408	23.2
193.15849	12.1
197.13190	9.6
201.16399	21.2
205.15976	14.4
209.11757	16.9
213.16353	7.9
219.17508	9.8
227.13008	8.5
243.21141	26.1
257.19107	9.9
259.20538	10.2
261.22354	8.7
303.37949	9.1
381.31427	34.7
391.29800	10.9
409.30649	37.3
427.32031	35.3
445.29312	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	445.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.6
60.87422	1.6
67.05484	1.9
69.07047	7.2
71.08601	2.7
71.29704	3.8
71.30064	2.7
75.16628	1.6
79.05456	3.0
81.07011	3.4
83.08575	5.5
91.05805	4.1
93.07030	2.8
95.08587	4.8
102.78147	1.6
107.08567	3.9
109.10100	5.2
121.10156	2.0
123.11713	2.4
133.10001	2.0
137.09514	2.5
149.09616	2.5
155.14139	2.1
161.13179	2.4
165.09113	26.0
189.09039	2.0
191.10603	2.6
205.12236	4.7
236.99889	2.1
262.60556	2.0
313.08755	1.9
359.02020	2.0
371.12820	2.2
374.15414	2.1
386.15259	5.5
387.15869	8.1
393.31683	2.2
401.17487	5.6
403.19110	3.9
414.14288	2.5
415.15137	11.6
416.15906	5.6
417.20880	4.0
427.35602	3.0
429.16904	6.8
430.17624	15.8
431.18185	5.1
445.19958	100.0
446.20572	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	445.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39213	9.9
52.13913	9.5
55.01867	15.0
55.05523	53.4
57.07074	79.0
67.05495	23.0
69.07068	97.9
70.62412	36.1
71.08617	50.9
79.05476	19.9
81.07047	72.6
83.08626	59.7
85.10184	32.2
91.05800	35.1
93.07050	29.7
94.51885	11.5
95.08593	66.9
97.10174	40.1
98.25422	10.8
105.07007	13.2
107.08587	31.9
109.06518	24.2
109.10143	32.7
110.08096	10.7
111.08079	15.1
111.11733	24.9
119.08626	22.2
119.28892	9.8
121.06512	12.2
121.10110	20.9
123.08073	18.7
123.11715	15.8
125.13238	12.3
135.08017	17.4
137.05968	48.2
137.09602	13.4
139.07539	100.0
149.09656	18.8
151.07518	23.2
165.05481	26.8
165.09108	35.6
167.05588	24.7
169.08562	13.8
171.11597	12.7
175.11218	12.1
177.09126	11.9
203.14287	13.7
245.50581	12.9
292.06638	10.2
307.30072	21.7
359.02826	23.0
381.86591	11.1
403.36014	13.3
427.36035	22.0
445.36771	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	10.6
57.07069	9.5
67.49743	6.8
69.07051	17.3
71.58263	9.1
81.07052	16.9
83.08595	19.6
91.05807	22.5
95.08604	31.3
97.10153	11.8
109.10148	18.7
119.08475	9.0
121.10152	11.4
137.09680	7.9
138.67844	7.2
163.11197	12.3
165.09123	100.0
168.60460	7.6
205.12262	11.2
236.83693	7.8
359.02994	9.6
387.80634	9.8
413.88589	8.3
428.37015	9.3
445.20316	11.8
445.35751	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	445.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02404	1.5
53.03941	4.6
55.01858	4.8
55.05259	2.3
55.05508	24.0
55.99446	1.4
57.03437	3.3
57.07083	2.4
65.03931	4.3
67.05501	52.6
69.03426	3.8
69.07064	19.8
69.30018	13.7
71.04984	5.6
75.24855	1.2
76.07252	1.3
79.01841	3.2
79.05490	48.3
81.03420	5.1
81.06580	2.9
81.07053	54.9
83.04974	3.9
83.08585	6.8
83.96086	1.3
85.02945	1.4
85.06528	3.0
91.05462	67.7
93.07035	41.2
95.04963	9.3
95.08596	31.5
95.09165	2.3
97.06511	4.3
97.10152	3.0
103.05475	4.1
105.07025	61.6
107.04946	5.9
107.08593	24.5
109.06515	6.3
109.10143	10.3
110.58245	1.4
111.08079	3.0
112.76225	1.5
115.05433	3.8
116.06263	2.3
117.07005	29.9
119.04932	1.8
119.08571	38.9
121.06472	8.0
121.10142	14.5
123.08031	4.5
123.11699	2.7
125.02362	2.4
125.09610	2.9
126.48087	1.4
128.06224	5.0
129.07001	22.9
130.07745	2.3
131.08560	57.7
133.06506	3.0
133.10120	21.6
135.08084	6.6
135.11678	8.1
137.09605	2.6
141.07024	6.7
142.07770	3.1
143.03387	5.2
143.08548	22.0
145.06461	2.5
145.10112	26.3
147.08044	6.8
147.11658	8.2
149.09639	5.6
149.13208	2.3
151.11186	1.8
153.01820	36.8
153.03003	2.9
155.08507	12.0
157.06522	1.5
157.10120	14.9
159.08072	3.6
159.11688	16.1
161.09613	3.2
161.13223	3.8
163.11180	2.4
165.06976	1.5
167.05516	2.2
167.08594	3.5
169.10089	11.0
171.11702	11.4
173.04564	1.4
173.09682	2.0
173.13284	5.6
173.18326	1.6
175.11189	3.4
177.09138	1.3
177.12695	1.9
179.08609	1.6
181.10127	5.0
183.11682	6.7
185.09669	1.6
185.13315	5.4
187.11177	2.5
187.14848	4.1
189.11292	1.6
195.11685	5.2
197.13286	7.5
199.14842	4.4
201.12793	2.1
201.16367	2.2
209.13280	5.5
211.14774	3.6
213.12762	2.3
213.16501	2.7
215.14398	2.0
223.14859	4.7
225.16342	2.1
227.14410	1.9
227.18112	1.7
233.15408	3.8
241.15990	3.2
241.19308	1.5
245.15421	1.7
247.16930	5.2
255.17433	3.5
259.17014	2.2
261.18564	4.6
271.16989	1.5
273.18549	2.6
287.20163	1.5
325.25217	7.5
335.23615	7.1
343.26224	11.9
353.24719	28.9
359.02856	3.2
371.25781	28.8
389.26834	27.8
427.28461	6.8
445.29510	100.0
446.29883	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	445.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.0
53.03949	5.0
55.01875	4.8
55.05509	21.6
57.03421	4.4
57.07061	2.5
65.03934	3.7
67.05505	49.8
69.03414	2.7
69.07069	19.5
71.04980	4.1
73.04748	1.5
79.05495	47.9
79.05966	2.3
81.03424	3.8
81.07057	55.9
83.04993	5.2
83.08624	12.0
85.02855	1.3
85.06528	3.4
91.05474	73.6
93.07048	44.3
93.07550	0.8
95.04969	11.3
95.08607	35.7
97.02876	1.7
97.06548	5.0
97.10176	4.4
98.20711	2.6
99.08073	1.3
103.05492	4.9
105.07034	67.4
106.19425	0.9
107.04945	5.7
107.08588	22.1
109.06506	6.9
109.10152	12.2
111.08085	2.8
115.05450	6.0
115.06173	0.9
116.06297	1.1
117.07016	35.5
119.04924	1.8
119.08582	44.4
121.06509	9.3
121.10139	17.2
123.08060	3.9
123.11766	1.7
125.09633	2.3
127.03976	1.1
128.06256	6.4
129.05565	1.1
129.07007	25.8
130.07782	3.0
131.08571	58.4
133.06509	5.9
133.10129	19.7
133.11090	1.5
135.08029	6.2
135.11714	5.8
137.09628	3.5
141.06989	10.1
142.07768	3.7
143.08557	26.0
144.09256	1.5
145.06445	5.4
145.10123	31.5
146.64539	1.0
147.08093	5.6
147.11681	8.1
149.09607	5.8
149.13243	2.7
154.07773	1.6
155.08559	12.7
156.09285	1.0
157.06438	1.4
157.10141	14.6
159.08061	2.9
159.11693	15.2
161.09581	3.5
161.13295	2.6
163.07629	1.0
163.11230	2.3
167.05606	1.9
167.08559	5.1
168.09355	1.8
169.10121	9.7
171.08154	1.6
171.11694	11.2
173.09630	2.7
173.13292	6.7
175.11217	2.2
175.14761	1.4
181.10141	8.3
182.10971	0.9
183.11665	6.2
185.09648	2.4
185.13266	7.8
187.11217	2.1
187.14851	3.8
189.11189	1.2
189.12755	1.7
189.16408	1.5
193.10179	2.2
195.11652	7.7
197.13237	8.0
199.11206	2.3
199.14821	3.4
201.12694	3.2
201.16457	1.3
203.14404	2.0
205.12231	1.6
207.11682	2.3
207.13699	1.1
209.13246	5.4
211.14836	5.0
211.50133	1.2
213.12744	1.8
213.16356	1.8
215.14299	2.8
215.17894	1.6
217.15959	1.9
219.13806	1.7
221.13261	1.7
223.14876	3.6
225.16420	3.9
227.14391	2.8
229.15799	2.1
233.15344	2.9
235.14792	1.5
237.16347	2.2
239.17993	1.2
241.15912	3.9
243.17563	1.8
245.15408	2.0
247.16954	4.2
249.18488	1.4
253.15981	1.4
255.17401	2.5
259.16974	2.9
261.18469	2.8
271.16870	1.4
273.18451	2.3
275.20135	2.0
287.19971	1.1
307.24332	2.0
325.25143	7.6
333.20886	1.4
335.23599	8.9
343.22348	1.6
343.26251	12.0
347.22061	1.3
353.24750	32.7
354.25061	1.6
359.02902	2.1
371.25833	31.6
389.26901	30.4
409.27194	2.1
427.28448	6.5
445.29501	100.0
446.29929	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	445.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35457	5.4
53.03938	9.2
55.05499	11.7
56.55085	5.1
57.03432	17.7
57.11238	5.0
60.02165	6.3
63.81116	5.2
67.05507	53.1
69.03429	26.9
69.07060	10.4
70.64800	18.4
71.04992	100.0
74.99304	4.7
79.05487	23.5
81.03411	68.7
81.07052	77.1
83.04993	12.3
83.08627	7.4
83.19841	4.7
85.02890	9.9
85.06538	9.8
91.05448	49.5
91.97861	4.8
93.07043	28.7
95.04959	7.9
95.08597	22.0
97.02888	31.1
97.06573	9.8
99.04455	14.3
105.07046	22.9
107.04937	6.1
107.08581	31.6
109.02891	11.4
109.06482	6.5
109.10161	17.2
117.07028	6.7
121.10160	14.8
123.11687	13.5
127.03917	14.8
131.08540	5.6
133.10118	38.6
135.11714	12.9
147.11716	7.3
149.13275	10.7
150.57362	4.8
151.11200	24.7
151.51086	4.5
159.11707	14.5
173.04454	30.2
177.12737	12.2
183.13754	12.9
187.13251	24.8
187.14746	5.5
195.13828	9.2
201.14771	11.2
238.17052	4.7
257.17480	46.7
339.17722	6.0
344.68063	4.9
413.21826	8.7
445.24258	53.9
456.21747	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	445.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09674	12.9
53.03948	15.0
55.01878	22.5
55.05499	33.2
57.03434	13.2
66.63865	14.5
67.05504	46.3
69.07055	47.5
71.19570	29.8
79.05502	96.6
81.03419	56.5
81.07046	47.1
85.02888	15.4
91.05440	43.5
93.07056	100.0
93.52201	14.8
95.04967	59.2
95.08604	53.8
97.02918	19.6
107.08598	25.9
113.58906	16.2
119.08570	19.6
121.06505	44.9
121.10143	27.7
123.11696	16.3
131.08571	18.2
133.10184	19.1
139.07555	80.7
143.82721	14.6
167.05545	17.9
277.44272	17.5
299.33789	15.0
313.31503	15.5
328.50797	16.9
445.29340	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91348	1.5
53.03928	5.3
53.95889	1.6
55.01862	5.2
55.05508	27.1
57.03429	4.1
57.07080	1.9
60.34842	1.6
65.03938	5.4
67.05504	64.2
69.03419	2.8
69.07064	20.2
70.56162	1.7
70.84509	4.0
71.04985	6.5
73.06580	1.8
79.05491	51.5
81.03418	4.0
81.07053	55.5
83.04962	4.7
83.08617	10.9
85.06541	2.2
91.05472	82.7
93.07039	55.9
93.07632	3.2
95.04974	15.1
95.08606	43.4
96.36920	1.6
97.02872	3.0
97.06532	6.2
97.10175	5.0
103.05453	4.9
105.07027	76.7
107.04931	6.8
107.08583	27.4
109.05849	1.7
109.06515	7.5
109.10152	15.9
111.08053	4.4
115.05466	6.0
117.07021	38.5
119.08579	44.5
121.06493	6.1
121.10143	17.0
123.08097	3.2
123.11728	2.1
125.09613	2.9
128.06187	4.7
129.07002	26.4
130.07823	3.0
131.08568	58.9
133.06479	5.3
133.10126	23.6
135.08078	4.9
135.11664	11.7
135.19797	1.9
137.09604	4.4
137.13197	2.4
141.06984	6.2
142.07780	3.2
143.08560	26.2
143.09657	1.3
145.06502	4.8
145.10114	37.7
147.08018	4.8
147.11710	10.8
149.09634	4.7
149.13213	3.0
151.11172	2.6
154.07863	2.4
155.08553	14.2
156.09357	2.8
157.10095	21.2
159.08075	3.2
159.11693	14.6
161.09612	4.8
161.13287	5.0
163.11266	2.2
167.05551	2.9
167.08572	4.9
169.10114	11.0
171.11714	12.6
173.09645	2.7
173.11870	1.7
173.13281	6.8
175.11198	5.0
177.12762	3.3
177.16481	1.7
181.10175	7.7
183.11690	6.6
185.13254	9.0
187.11185	3.0
187.14870	4.5
189.16386	2.6
195.11696	6.5
197.13278	7.4
199.14865	6.2
201.16359	2.4
209.09512	1.8
209.13319	6.0
211.14841	5.9
213.12755	3.7
213.16434	3.1
217.15736	2.7
221.15329	2.1
223.14793	4.3
225.16272	2.9
227.14406	2.9
229.15910	2.2
233.15253	2.5
235.17056	2.2
237.16422	2.0
245.15459	2.9
247.16913	5.6
255.17424	2.4
259.17007	5.3
261.18610	3.3
275.20129	2.0
325.25314	5.1
335.23639	6.1
343.26273	12.0
347.22366	2.6
353.24762	28.6
371.25775	27.4
389.26932	26.2
409.27182	2.5
427.28391	6.5
445.29465	100.0
446.29837	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	445.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.0
54.90564	0.5
55.01874	1.6
57.03426	0.8
61.55594	0.5
69.03428	3.4
70.06593	0.6
71.04996	0.7
71.57221	0.8
73.02942	0.6
73.04747	1.2
79.05508	2.4
81.03445	2.6
82.49218	0.5
83.04991	0.7
85.02896	5.6
87.01015	0.6
90.83326	0.5
91.05840	6.9
93.07047	3.0
95.04990	1.3
97.02876	3.0
99.04462	2.0
105.07037	0.8
109.02863	2.5
111.04433	0.6
111.08083	0.9
121.06513	1.0
127.03899	3.6
137.05963	0.9
137.08377	2.1
138.13234	0.6
139.07573	2.1
143.03450	0.9
153.01819	7.1
167.05533	3.2
170.06374	6.0
171.02957	0.6
196.07921	0.6
224.07416	0.8
225.04440	1.0
245.00557	0.6
283.11749	0.9
328.99106	3.8
359.02808	4.7
361.10910	0.8
415.15512	2.1
445.03928	2.2
445.16794	100.0
446.17136	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	445.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
55.05494	0.4
57.03004	0.4
57.03403	0.3
62.06554	0.3
65.33531	0.3
65.53056	0.3
67.05505	0.4
67.19556	0.3
69.03411	1.5
71.18193	0.7
73.04754	0.9
74.00646	0.6
76.03990	1.1
76.84954	0.3
79.05476	1.2
80.04990	0.5
81.03400	1.4
81.06991	0.3
82.06540	0.4
84.04501	7.1
85.02899	3.3
85.04016	1.6
91.05840	2.9
92.01683	0.6
93.05799	0.9
93.07034	1.3
94.06542	1.7
95.04984	0.5
97.01103	0.4
97.02888	1.1
99.02689	1.8
99.04446	0.4
106.06542	1.1
108.08108	1.4
109.02864	1.0
109.08874	0.9
110.06016	0.7
110.09644	0.6
111.02673	0.8
112.02164	0.5
113.03510	0.6
113.04230	0.7
118.06508	1.0
119.07310	1.2
120.08049	0.4
121.06451	0.4
122.06017	7.4
122.68162	0.3
123.04369	0.4
124.02163	0.8
124.07583	0.4
125.02953	0.8
126.03756	1.6
127.02128	1.0
127.03853	4.7
128.04234	1.4
129.04384	1.7
130.04994	3.7
131.04517	0.9
135.02635	0.6
136.07555	1.1
137.04173	0.5
137.08354	35.1
138.09149	7.0
139.07520	0.6
140.10669	1.8
142.03253	0.3
142.06822	0.6
145.04973	0.5
145.06067	0.9
152.05284	5.2
153.01810	3.5
154.02170	1.5
155.02280	1.4
167.05569	1.1
168.04768	0.6
170.06339	100.0
171.06641	0.5
172.07924	2.0
177.03278	4.8
180.04710	0.4
181.06056	0.7
185.03784	1.6
196.07898	9.8
206.06377	1.2
213.10506	2.2
223.09048	2.3
224.07397	12.0
224.09596	0.6
225.04343	0.5
231.04355	5.0
241.10011	5.2
279.11664	1.7
288.06476	0.5
306.07767	0.5
307.10974	0.4
316.13266	5.0
333.49878	0.4
343.00043	0.4
352.13214	1.1
359.02802	1.1
370.14279	0.6
405.18146	0.4
445.16580	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	445.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01867	0.7
55.05497	2.0
57.03427	0.7
60.02937	0.5
60.67201	0.5
63.85430	0.5
67.05487	0.9
69.03121	0.6
69.03432	5.0
70.06560	0.7
71.01876	0.6
71.02193	1.0
71.04970	0.6
73.04759	2.5
81.03413	6.3
83.04975	7.6
84.04533	0.6
85.02906	2.7
86.09713	0.8
91.05801	12.7
93.03366	0.9
95.04951	0.9
97.02885	4.6
99.04456	0.8
109.02874	4.8
111.04430	5.0
114.07375	0.7
121.02863	1.2
127.03909	100.0
128.04185	1.4
137.08371	1.3
139.03889	4.5
143.03435	1.1
145.04942	1.6
153.01834	8.9
157.04967	2.1
167.05582	5.2
170.06345	2.2
171.02921	0.8
225.04344	1.8
227.02271	0.7
255.08479	0.9
283.08221	0.7
301.09232	1.0
328.99252	1.3
342.99814	1.4
359.02817	7.7
413.80386	0.7
445.04144	1.4
445.16623	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03245	0.5
53.03943	2.9
55.01854	1.8
55.05496	1.9
57.03419	0.7
58.99571	0.7
61.28261	0.5
65.03933	3.2
67.05497	1.7
68.05016	1.6
69.03410	3.4
69.07082	0.6
71.04959	0.6
71.15743	1.2
73.02892	0.6
73.30560	0.6
74.09694	1.6
77.90220	0.5
79.05489	12.8
81.03423	2.9
81.07047	0.9
83.08611	1.0
85.01118	2.3
85.02898	6.7
86.09698	0.7
87.04445	0.6
87.52367	0.6
91.05470	6.9
93.07042	9.4
95.04971	5.4
97.02887	1.3
97.06538	1.2
98.00622	0.9
99.02686	3.6
99.04439	0.7
105.04509	1.0
106.88341	0.5
107.04903	0.7
109.02881	1.4
111.08086	2.2
113.02972	3.9
121.06490	4.3
126.03739	22.0
127.03902	1.7
127.04665	0.7
135.08026	0.7
137.05986	1.0
139.07535	7.0
139.79848	0.5
144.04776	100.0
145.05045	1.1
175.43330	0.5
177.05394	0.6
181.08589	0.5
186.05844	0.7
265.10849	0.5
270.07941	1.3
270.61304	0.6
288.08987	2.2
295.05997	12.3
306.10028	1.0
312.08575	3.4
332.76404	0.6
356.22473	0.5
418.74524	0.6
426.15720	5.1
444.16901	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17735	6.6
71.39384	14.9
71.39753	8.0
81.04549	9.5
83.04939	9.0
85.02900	12.6
86.06071	8.3
98.12397	5.8
102.45061	7.6
105.91111	5.8
108.43367	6.8
120.43778	7.2
122.07191	15.6
123.07928	6.8
127.03918	40.4
138.64934	6.5
153.01825	8.0
185.02940	10.6
311.06091	9.9
368.07401	7.3
409.93875	6.4
445.11188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.15
Annotation	Unknow
Peak:m/z	Relative Intensity
62.15829	0.9
67.05496	1.0
69.03423	3.5
69.07047	2.1
70.06594	2.2
71.04963	2.1
71.11783	1.0
71.57633	1.5
73.04761	1.4
74.38196	1.0
79.01849	2.6
81.03407	5.7
85.02885	3.1
91.05820	6.5
97.02864	4.5
98.97570	1.2
107.01314	1.3
109.02865	4.2
112.07587	2.8
113.05999	2.9
121.17594	1.0
125.02368	1.8
127.03249	0.8
127.03941	9.0
130.08636	100.0
131.08937	1.1
143.03384	4.0
145.04854	0.9
153.01831	65.8
154.02116	1.4
167.05522	1.9
171.02853	5.2
225.04279	1.5
257.00754	1.2
292.13870	3.8
297.06073	3.7
303.01279	2.8
315.07034	3.9
342.99802	1.4
359.02686	3.2
384.21185	1.1
394.98813	1.1
444.11465	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	443.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96399	0.2
55.01860	0.3
55.05499	0.9
57.03429	0.3
57.07057	0.6
67.05501	3.9
69.03412	0.7
69.07077	1.3
71.04971	0.3
74.89995	0.2
79.05475	1.1
80.52450	0.2
81.06650	0.3
81.07059	3.8
83.04964	0.6
83.08600	0.7
85.02910	0.7
85.06520	0.4
88.85715	0.2
91.05478	1.2
93.07037	1.3
95.04986	0.3
95.08614	2.7
97.10142	0.2
105.07050	1.2
107.04946	0.5
107.08592	1.9
109.06493	0.3
109.10152	5.5
111.08065	0.9
117.07004	0.3
119.08578	3.2
121.10130	1.0
122.07286	1.7
123.08112	0.4
123.11712	1.3
125.09615	0.3
127.03870	0.3
129.06987	0.3
132.19084	0.2
133.10106	0.6
135.08051	0.5
135.11693	0.6
137.09612	11.4
137.13223	0.4
138.78557	0.2
147.11682	0.5
149.09560	1.3
149.13283	0.5
151.07535	0.7
151.14825	0.2
159.11676	0.3
161.09641	0.4
161.13264	0.3
163.11174	0.3
165.09108	100.0
166.09442	1.5
167.07014	0.2
171.11739	0.3
175.07469	0.2
177.09126	0.4
177.12811	0.4
177.16342	0.5
179.10564	0.4
185.13319	0.3
187.11195	0.2
189.12711	0.4
191.10638	0.3
203.10535	0.4
203.14319	0.4
205.12230	2.6
209.18987	0.3
229.25117	0.3
229.27472	0.2
240.10703	0.3
281.21185	0.4
291.26828	0.4
309.05612	0.2
317.21091	0.2
425.34033	0.5
434.72995	0.2
443.26245	0.3
443.29242	0.2
443.35104	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.2
55.01857	6.6
55.05507	32.5
57.03432	4.8
57.07063	1.5
65.03933	4.0
65.72075	1.5
67.04524	1.6
67.05504	53.7
67.63081	1.6
69.03424	3.7
69.07066	26.6
70.54372	4.4
70.54729	3.1
71.04974	6.4
79.05491	48.5
81.06590	3.0
81.07056	54.6
81.46502	1.6
83.04953	7.1
83.08618	13.5
85.06534	4.5
91.05481	62.4
93.07044	42.4
95.04964	12.7
95.08605	39.6
97.06541	8.4
97.10144	7.2
98.20771	1.7
99.04492	1.7
103.05457	3.8
105.03338	1.9
105.04468	2.0
105.07029	49.4
107.04958	8.9
107.08588	26.1
109.02917	2.1
109.06500	10.6
109.10146	18.9
111.08065	6.1
115.05450	9.7
116.06223	2.5
117.06225	2.3
117.07020	35.1
119.05025	2.1
119.08585	34.1
120.75278	1.8
121.06499	11.2
121.10130	19.2
123.08057	10.8
123.11684	6.2
127.03857	2.5
128.06218	15.0
129.07008	45.7
130.07759	2.5
131.04939	2.7
131.08569	48.2
133.06477	7.2
133.10129	23.7
135.08031	9.6
135.11699	11.1
137.09619	8.5
137.13225	3.3
141.07001	19.0
142.07753	5.5
143.08549	45.5
145.06473	11.3
145.10118	29.9
147.08063	8.1
147.11678	9.9
149.09622	10.6
149.13239	4.3
151.07526	23.8
151.11125	2.7
153.06975	3.3
154.07750	5.0
155.08554	31.6
156.09271	3.4
157.06505	4.7
157.08925	2.7
157.10143	28.1
159.08038	6.9
159.11703	15.2
161.09596	6.4
161.13246	6.7
163.07530	2.3
163.11157	3.7
163.14891	2.4
165.06970	4.1
165.09097	20.3
165.12753	2.3
166.07658	2.8
167.07188	3.4
167.08548	12.9
168.09300	3.7
169.10110	19.6
171.08017	4.7
171.11676	16.1
173.09593	5.4
173.13248	5.6
175.09723	1.8
175.11151	3.3
175.14783	3.1
177.09148	2.7
177.12712	2.0
179.08505	5.7
180.09235	2.2
181.10150	14.0
181.11746	2.4
182.10844	2.3
183.08066	2.8
183.11662	11.1
185.09615	5.3
185.13235	12.9
187.11174	6.6
187.14825	4.3
189.09082	2.4
189.12756	3.9
189.16307	2.1
191.10698	4.7
193.10129	5.9
195.08047	1.9
195.11668	13.0
197.13225	9.9
199.11214	4.3
199.14803	5.8
201.12688	4.8
203.14323	4.0
203.17831	1.9
205.10202	2.5
205.12209	4.1
207.11736	4.4
209.13275	10.8
211.11171	3.3
211.14847	6.7
213.12720	10.1
213.16393	3.1
215.14357	4.1
217.15808	3.5
219.13797	2.8
221.13242	7.1
223.14798	6.9
225.12772	3.7
225.16403	2.3
227.14372	4.2
229.12093	2.3
229.15916	3.6
231.13873	3.6
235.14757	6.2
237.16286	2.0
239.14230	4.2
241.15848	3.3
245.15442	3.2
249.16496	3.0
253.15851	4.8
255.13698	2.9
255.17368	2.2
257.15283	2.9
265.15909	2.2
269.15286	2.1
271.16840	3.3
315.21194	3.1
323.23642	6.4
333.22125	11.6
340.12686	1.9
341.24673	8.4
351.23172	33.1
361.25012	1.8
369.17111	2.1
369.24255	43.9
370.24643	2.6
387.25330	16.0
389.24683	2.6
407.25412	2.4
425.26563	7.7
443.27802	100.0
444.28003	6.6
462.84006	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.01858	4.8
55.05511	16.5
57.03434	3.2
57.07069	1.2
59.04995	1.1
61.02931	1.4
65.03929	2.3
67.05504	27.2
68.40057	1.2
69.03440	1.8
69.07074	15.3
71.04976	3.0
73.02905	1.2
73.56471	1.3
74.67060	1.1
79.05053	2.2
79.05489	24.5
81.03407	2.7
81.07052	26.3
83.04958	3.4
83.08620	8.2
85.02896	3.4
85.06532	3.4
91.05479	31.3
93.07043	23.9
95.04977	8.1
95.08604	21.8
97.06515	4.0
97.10146	3.3
103.05479	2.9
105.07021	25.8
107.04953	5.7
107.08594	16.3
109.06533	6.6
109.10139	15.8
111.08061	2.4
115.05439	4.5
117.07011	17.7
119.08585	19.3
121.06499	5.8
121.10152	11.6
122.07280	2.2
123.08055	4.0
123.11680	3.9
125.09615	3.3
127.07557	1.3
128.06221	8.6
129.06993	24.6
131.04887	1.6
131.08560	23.8
133.06479	3.6
133.10132	11.1
135.08041	5.5
135.11682	5.9
137.09612	15.3
141.06955	7.7
142.07796	4.5
143.08572	20.4
145.06468	5.8
145.10130	13.5
147.08015	4.2
147.11658	6.8
149.09619	3.6
149.13243	1.8
151.07568	4.2
151.11174	1.6
153.07037	2.2
153.18994	1.2
154.07829	1.5
155.08530	14.5
156.09332	2.0
157.06453	1.8
157.10109	12.1
158.10950	1.8
159.08078	4.4
159.11688	6.6
161.06000	2.9
161.09590	3.4
161.13264	3.5
163.07471	1.9
163.11145	1.9
163.14816	1.6
165.09111	100.0
166.07762	1.8
167.07147	2.5
167.08569	6.9
168.09363	1.5
169.10132	9.6
171.08047	3.6
171.11690	8.1
173.09583	2.3
173.13266	3.1
175.11171	2.4
175.14861	2.0
177.09186	1.7
179.08530	1.4
181.10139	6.8
183.11722	7.4
185.09683	3.0
185.13290	7.4
187.14874	1.8
189.12843	1.5
191.10588	1.6
193.10115	3.9
194.10802	1.4
195.11713	6.5
197.09497	2.1
197.13240	4.8
199.11194	2.9
199.14813	4.3
201.12756	3.0
205.12233	3.9
207.11728	3.8
207.13651	1.4
209.13197	4.1
211.11171	2.4
211.14767	4.6
213.12729	4.5
215.14394	1.7
217.15932	1.6
221.13235	4.4
223.14822	5.1
225.12730	2.8
225.16425	2.1
227.14359	3.0
231.13695	1.8
235.14844	3.4
239.60591	1.2
253.15878	3.0
255.70450	1.2
257.15326	2.4
259.17020	1.7
267.06781	1.4
271.16904	2.9
295.05963	3.4
305.04419	1.3
323.05511	3.9
323.23770	1.8
333.22098	3.9
341.24695	5.3
351.04953	4.4
351.23178	22.8
355.07953	2.1
369.24179	29.4
383.07584	2.8
387.25317	9.3
425.26663	5.0
443.27859	59.2
444.28058	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	443.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57110	3.8
53.03927	6.7
55.01877	8.1
55.05512	31.4
57.07071	4.8
59.44705	3.7
60.83164	3.6
65.40042	3.8
66.41231	3.8
67.05499	32.7
69.03412	4.3
69.07067	38.3
71.04971	5.1
79.05493	59.9
81.03392	6.0
81.06655	4.6
81.07062	58.5
83.04962	4.0
83.08616	16.9
85.06551	4.6
91.05476	29.4
93.07040	67.1
95.04951	14.3
95.08604	100.0
97.06508	11.6
97.10127	6.3
98.20727	8.0
105.07031	39.4
107.04944	65.4
107.08590	62.2
109.06535	9.4
109.10151	58.1
111.04414	6.7
111.08066	16.6
111.11700	8.4
117.06987	8.2
119.08575	52.9
121.06480	10.5
121.10155	50.8
123.07990	7.9
123.11708	32.5
125.09575	7.5
129.06984	7.6
131.08556	17.8
131.45499	3.5
133.10114	46.7
135.08047	11.3
135.11682	37.6
137.09599	8.7
137.13245	11.1
139.07498	25.2
143.08531	11.5
145.10088	23.8
147.08049	5.0
147.11681	21.0
149.09608	28.1
149.13243	27.0
151.11179	11.4
151.14822	4.8
155.08557	6.2
157.10133	13.1
159.11710	23.8
161.09608	7.3
161.13226	16.1
163.07491	10.6
163.11124	9.7
163.14777	12.0
165.09091	7.1
171.11693	7.3
173.13261	21.3
175.11198	11.8
175.14816	29.0
177.12790	8.3
177.16335	9.5
185.09673	4.1
185.13274	8.8
187.14778	12.3
189.12790	7.6
189.16365	9.6
191.14301	6.0
191.17935	22.4
193.15817	6.4
195.13690	4.7
197.13210	4.8
199.11122	5.6
199.14830	12.0
201.12701	4.4
201.16399	11.4
201.59537	4.1
203.10632	4.9
203.14262	5.6
203.17940	12.1
205.15863	5.8
205.19470	18.0
207.17392	5.5
211.14746	4.4
213.16435	4.1
215.18053	5.3
217.19566	7.7
219.13885	6.5
219.17461	4.9
229.19424	7.2
241.19521	6.1
243.21118	7.8
243.69995	4.7
255.17404	4.1
259.16852	5.3
269.15457	6.4
269.18793	6.9
271.20563	17.1
287.16501	7.2
384.62164	4.5
392.94333	4.3
397.30850	4.9
407.28931	7.2
407.33551	8.6
425.29584	12.3
425.34790	24.1
434.58740	4.2
443.35785	95.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64248	0.5
54.03465	3.7
55.04247	3.3
57.03422	0.6
61.02914	0.8
63.19887	0.5
66.98396	0.4
69.03407	1.8
69.93514	2.7
70.38108	0.5
73.02910	0.7
80.05014	0.7
81.03423	0.7
81.04536	21.0
82.05313	10.1
85.02899	2.9
97.02889	0.9
108.05616	0.9
109.02850	0.5
110.07185	0.8
122.07144	100.0
123.07927	93.6
124.08243	0.8
127.03931	1.1
142.03197	0.9
144.04773	1.3
153.01772	0.6
160.04311	2.2
165.07724	4.2
172.04268	1.8
244.08882	0.5
281.10654	61.2
282.11023	1.8
296.98904	0.5
323.11676	1.2
418.79282	0.5
443.15970	64.0
444.16284	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	12.6
55.05497	38.0
66.16689	8.7
67.05497	33.5
69.03429	9.9
69.07068	46.6
79.05477	75.9
81.07052	55.5
83.08601	11.7
91.05469	38.7
93.07038	66.0
94.21090	9.2
95.04938	21.7
95.08602	97.0
97.10136	10.4
98.21622	15.7
105.07011	39.9
107.04945	79.0
107.08586	59.6
109.06461	10.0
109.10144	47.8
111.04369	11.6
111.08078	17.1
119.08577	44.6
121.06558	14.1
121.10132	52.9
123.08057	8.8
123.11694	32.6
129.06978	15.8
129.25208	8.1
131.08533	17.4
133.10109	59.3
135.07948	11.8
135.11711	44.9
137.13268	20.6
139.07513	29.6
143.08638	13.5
145.10120	21.9
147.11671	31.4
149.09607	35.8
149.13229	30.1
155.08585	17.5
157.10045	8.7
159.11719	29.4
161.13242	29.8
163.14780	12.8
173.13255	18.9
175.11282	13.3
175.14778	18.8
177.16412	12.0
185.13217	8.9
187.14835	12.1
189.16434	10.3
191.17941	24.1
199.14867	11.5
407.33386	13.8
425.34039	24.9
443.23999	10.2
443.35645	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3725
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
54.32011	3.9
55.05508	16.7
56.77526	4.6
57.07059	6.2
64.53056	5.3
67.05503	28.8
69.07069	35.6
69.52306	40.9
73.57588	4.9
79.05490	17.4
81.07047	59.3
83.08608	15.1
91.05482	21.0
93.07037	44.4
95.08605	100.0
96.84266	4.2
103.62489	5.2
105.07007	29.8
107.08595	54.0
109.06531	6.4
109.10155	69.9
111.11717	11.2
119.08566	33.9
121.10133	79.5
123.08057	5.3
123.11702	42.6
131.08575	11.7
133.10153	36.6
135.11650	32.3
137.13234	14.2
145.10129	21.4
147.11685	24.5
149.09627	46.1
149.13271	20.5
151.11165	12.2
151.14853	12.2
154.53421	5.3
157.10118	7.0
159.11687	20.0
161.13289	17.1
163.14824	16.3
165.09105	21.7
165.12709	8.7
167.10670	7.9
171.11688	9.5
173.13258	11.4
175.11221	5.6
175.14801	29.5
177.12740	7.0
177.16373	18.9
185.13367	5.8
187.14818	16.0
189.16382	40.3
191.17986	11.6
193.15848	9.8
201.16336	11.5
203.17969	6.3
205.15775	6.5
205.19519	8.3
217.19608	6.7
219.17453	10.6
219.21080	13.5
241.19572	6.9
245.19070	7.4
253.19333	7.5
259.20734	5.9
332.05350	6.0
401.99786	5.1
405.35217	17.3
423.31839	6.3
423.36337	93.8
441.37860	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17035	0.9
50.32834	1.0
53.03936	3.5
55.01868	2.4
55.05494	2.3
67.05492	2.6
68.05019	1.4
68.96543	0.8
69.03419	2.9
70.06577	3.4
71.57752	2.0
73.02897	1.2
78.49812	0.9
79.05488	15.5
80.04996	1.6
81.03405	3.4
81.05798	5.1
81.07052	10.7
82.02931	1.9
82.06583	1.0
83.04962	1.5
83.08623	1.1
85.02917	4.6
86.06074	2.0
91.05470	5.7
93.07028	8.4
95.04969	4.0
95.08596	1.1
96.04495	5.3
96.08124	12.4
97.02882	2.0
97.06522	1.4
103.51703	1.1
105.07014	1.7
106.06552	1.0
109.02890	1.9
112.07622	5.1
121.06527	6.2
124.07584	100.0
125.07823	0.9
126.09151	2.9
127.03922	4.5
129.18115	0.8
138.09113	1.1
139.07533	4.1
141.05438	1.2
142.08627	53.1
153.01840	2.5
160.68596	1.0
262.14331	1.2
286.12668	1.0
304.13980	1.7
306.17062	0.9
396.20126	2.0
406.18430	1.9
424.19675	10.8
442.17191	1.8
443.18375	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	442.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20263	2.7
55.01862	7.6
55.05489	4.5
57.03443	15.2
57.07067	3.1
61.02912	9.3
67.05499	5.6
69.03429	23.4
69.07041	2.9
69.62400	19.9
70.03740	2.8
71.04977	5.5
73.02915	24.2
75.88641	2.9
78.58138	2.6
79.05479	5.0
81.03413	4.5
81.07048	9.3
83.08647	3.4
85.02903	100.0
87.04457	4.9
87.33741	3.5
91.03929	3.9
91.05438	3.7
93.07039	4.2
95.08579	6.3
97.02887	36.5
98.20763	6.0
99.08102	3.0
105.07053	6.2
107.08585	4.8
109.02863	9.8
109.10168	4.1
115.03933	14.6
119.08567	6.4
121.06544	3.5
127.03925	29.2
129.06955	3.0
131.04933	5.4
133.05002	15.4
145.04976	43.6
153.01831	4.7
161.09676	3.7
163.06058	9.0
165.09105	13.1
166.09447	8.7
167.07024	3.5
181.85440	3.4
259.08163	4.2
280.06555	4.2
309.11252	4.3
368.12497	4.5
377.02026	5.4
395.03149	4.1
442.25104	5.6
445.47400	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	441.3727
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
55.05507	6.9
67.05489	13.5
69.07053	9.4
70.84756	3.5
70.85098	6.9
73.92206	3.2
79.05473	13.9
81.07066	25.0
82.72412	3.1
83.08609	5.4
89.29558	3.6
91.05465	9.4
93.07050	31.6
95.04939	3.4
95.08603	63.4
97.10094	3.2
105.07014	14.2
107.08584	26.5
109.10158	51.9
111.11714	5.4
119.08560	11.0
121.10141	55.0
123.08062	6.3
123.11716	26.0
131.08595	4.6
133.10123	4.4
135.08044	5.8
135.11703	16.5
136.38719	2.9
137.13219	6.6
139.11201	4.3
142.04695	3.1
145.10135	3.1
147.11668	7.6
149.09621	100.0
149.13232	21.4
151.11171	11.8
161.13200	4.6
163.11136	5.8
163.14835	19.0
167.10609	6.7
175.14838	3.8
177.12715	5.9
177.16447	5.1
188.47716	3.7
189.16438	6.5
191.17941	7.4
201.16322	4.5
203.14235	5.8
205.15869	18.7
205.19473	13.3
219.17401	8.5
219.21001	19.7
231.21332	3.5
235.16896	4.0
347.83447	3.5
423.36252	48.1
441.37375	64.7
442.37476	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	441.373
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
58.39898	22.8
67.05505	24.6
69.07068	44.1
71.58861	37.4
81.07039	58.6
86.74792	21.8
91.51859	21.7
95.08583	72.5
96.77142	21.3
97.85480	21.5
107.08592	65.3
109.10133	44.6
119.08593	40.2
121.10121	59.1
135.11670	27.7
142.71857	22.4
147.11685	33.7
157.10133	28.6
194.53696	28.8
203.18182	23.0
223.16922	30.2
253.53157	25.4
273.43887	37.0
296.08255	24.6
386.00555	23.1
423.36105	34.6
441.37088	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3727
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
54.99449	0.9
55.05499	2.8
55.29705	0.8
67.05505	5.1
69.03419	2.3
69.07065	8.3
70.71241	2.8
77.35409	0.9
78.94534	0.9
79.05492	4.7
81.07052	11.8
83.04977	2.9
83.08621	2.2
83.63927	0.9
91.05478	2.6
93.07049	8.9
95.08074	0.9
95.08606	21.6
97.10163	1.7
102.67970	1.0
105.07030	6.1
107.08591	17.6
109.06512	1.3
109.10148	15.5
111.08096	1.3
111.11707	1.5
119.08575	10.7
120.63210	0.9
121.06562	1.6
121.10143	14.2
123.08030	2.2
123.11692	6.9
125.09615	1.0
131.08572	1.5
133.10117	6.7
135.08064	4.3
135.11691	15.2
137.09563	2.3
137.13248	5.9
145.10129	2.6
147.11678	4.1
149.09616	11.5
149.13272	4.7
157.10133	1.7
159.11717	2.9
161.09576	1.3
161.13298	5.6
163.11151	1.9
163.14847	1.8
173.13272	3.1
175.14854	5.6
177.16373	5.4
187.14877	2.1
189.16391	5.1
191.17989	4.0
199.14735	1.3
201.16319	1.9
203.18013	1.5
205.19476	2.1
213.16402	1.2
215.17923	3.7
217.15697	1.3
219.17743	1.5
233.19038	5.5
240.09206	0.9
245.19080	1.2
269.22540	1.7
287.23752	6.6
290.66043	1.1
370.52032	1.0
423.36160	4.4
441.37268	100.0
442.37683	5.2
445.64502	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01862	0.9
55.05512	3.1
57.07046	0.6
57.29790	0.3
60.07349	0.3
61.85199	0.4
67.05505	6.3
69.03415	0.9
69.07065	13.1
71.04984	0.7
71.08621	0.4
71.58406	0.5
79.05489	2.4
81.03394	0.5
81.07056	7.4
83.04971	0.9
83.08597	1.3
85.02871	0.6
85.06506	0.3
91.05475	2.2
93.07043	4.1
95.04939	0.6
95.08605	4.8
97.06536	0.6
97.10165	1.3
99.08076	0.6
105.07036	2.6
107.08591	3.9
109.06535	0.7
109.10150	8.0
111.08066	0.5
111.11703	3.2
117.06994	0.5
119.08580	4.0
121.06502	1.2
121.10150	3.1
122.07291	1.8
123.08074	0.8
123.11701	3.4
125.09618	0.6
128.06223	0.4
129.07001	1.2
130.75636	0.4
131.04922	1.1
131.08546	1.4
133.10126	1.3
135.08047	0.7
135.11703	1.4
137.09616	12.9
137.13235	0.6
139.11162	3.1
141.06963	0.7
143.08525	1.0
144.05698	0.6
145.06476	7.7
145.10138	0.9
146.06758	0.4
147.08020	0.4
147.11710	0.9
149.09584	2.1
149.13243	1.1
151.07587	0.5
151.11180	0.4
153.09099	0.9
153.12704	0.4
155.08545	0.7
157.06473	1.0
157.10147	0.6
159.08043	1.0
159.11711	1.0
161.05959	0.7
161.09576	0.6
161.13245	0.8
163.11157	0.3
163.14798	0.5
165.09109	100.0
166.09467	1.3
167.08565	0.6
169.06459	0.8
169.10170	0.6
171.08038	1.4
171.11621	0.6
173.09741	0.5
173.13228	0.8
175.11122	0.9
175.14799	0.4
177.09166	2.0
177.16318	0.3
179.10669	1.3
181.10034	0.6
183.08063	1.0
183.11810	0.5
185.09552	0.4
185.13242	0.3
187.11156	0.8
187.14836	0.4
189.09143	0.9
189.12772	0.8
191.10678	0.6
195.08037	0.6
195.11644	1.2
197.09682	0.5
197.13326	0.4
199.11172	0.4
201.12772	0.7
203.10667	3.3
203.14375	0.6
203.18062	0.5
205.12218	5.6
223.11063	0.5
225.12703	0.5
227.14247	0.7
231.13943	0.4
237.12683	1.1
239.14252	0.4
245.15276	0.5
251.73526	0.4
255.13850	0.9
259.24261	0.4
260.81638	0.4
271.24277	0.8
273.14859	2.8
289.25323	1.0
299.20126	0.5
299.97635	0.4
303.19601	0.4
311.16452	0.7
317.20926	1.1
317.74783	0.4
339.23218	0.5
349.21585	2.4
367.22546	4.4
385.23511	0.7
405.24261	1.2
423.25607	0.5
423.32629	0.8
441.26147	6.3
441.33557	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	441.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.7
67.05507	6.1
68.05827	0.5
69.03402	0.7
69.07066	2.8
69.61928	1.3
69.62355	1.5
72.49398	0.4
79.05492	1.5
81.03413	0.7
81.06647	0.5
81.07060	6.4
83.04976	1.0
83.08626	0.9
91.05465	1.4
92.05812	0.3
93.07054	2.4
95.04947	0.7
95.08609	2.8
96.07748	0.4
97.06512	0.6
103.05453	0.4
105.07030	1.8
107.08588	2.2
109.06536	1.0
109.10155	7.9
110.10469	0.5
119.08582	2.9
121.06524	0.6
121.10130	1.8
122.07271	1.3
123.11698	2.5
133.10115	1.4
135.08052	0.6
137.09621	11.4
137.13284	0.6
139.11159	0.5
145.06465	1.0
145.10155	0.6
147.11668	0.9
149.09618	4.5
151.11180	3.6
153.09143	1.1
159.11685	0.6
161.09634	0.4
163.11179	0.5
165.09111	100.0
166.09422	1.1
169.27864	0.4
174.12149	0.4
175.07294	0.4
175.14867	0.5
177.09097	9.6
177.12766	0.4
179.10718	0.9
181.15953	0.5
187.11250	0.7
189.09102	0.9
190.09875	0.9
191.10649	0.9
193.12103	0.4
203.10660	1.6
203.17926	0.4
203.23145	0.4
205.12231	12.1
207.10109	0.7
209.13306	0.5
235.17770	0.4
285.18451	2.1
303.19559	5.7
306.92865	0.5
311.23428	0.4
367.22720	0.8
441.26965	1.7
441.33524	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	441.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
55.01862	1.2
55.05507	3.4
57.03431	0.8
57.07080	0.6
59.04969	0.6
65.03942	0.5
66.15842	0.4
67.05173	0.6
67.05503	7.5
69.03416	1.0
69.07066	12.3
71.04975	0.4
75.60258	0.4
79.05501	3.8
81.03432	0.7
81.07050	8.3
83.04974	1.3
83.08604	1.1
85.06537	0.6
91.05468	3.4
93.07030	4.2
95.04950	1.0
95.08603	6.0
97.06549	1.0
97.10143	1.8
105.07020	3.1
107.04912	0.5
107.08610	2.9
109.06510	1.0
109.10138	8.5
111.08094	0.8
111.11720	2.9
117.06998	1.1
119.08593	4.4
121.06490	1.7
121.10136	3.2
122.07290	2.1
123.08030	0.7
123.11713	3.1
125.09632	0.9
128.06259	0.7
129.07005	2.1
131.04901	1.5
131.08572	1.3
133.06462	1.1
133.10114	1.3
135.08012	1.2
135.11678	1.8
137.09605	10.8
137.13261	0.6
139.11171	3.4
141.06966	1.1
143.08510	1.5
144.05724	0.8
145.06470	10.5
145.10089	1.0
147.08031	1.0
147.11681	1.7
149.09576	2.3
149.13202	0.5
151.07579	0.6
155.08527	0.8
157.06491	1.0
157.10124	1.2
159.08015	0.9
159.11725	0.6
161.05972	1.1
161.09584	0.6
161.13263	0.8
163.11191	0.5
165.09102	100.0
165.12778	1.7
166.09442	1.2
169.06464	1.0
169.10124	0.6
171.08061	1.9
171.11662	0.8
173.13203	0.6
175.11180	1.6
175.14742	0.6
177.09058	2.1
179.08600	0.6
179.10587	0.7
183.08026	1.1
185.09674	1.0
185.13303	0.5
187.11206	0.7
189.09128	1.0
189.12729	0.8
190.09920	0.6
191.10640	0.7
195.07982	0.7
195.11716	1.6
197.13197	0.9
199.11082	0.5
203.10591	2.7
203.14363	1.1
205.12212	6.4
209.09702	0.6
209.13194	0.7
211.11092	0.8
213.12570	0.6
227.14330	1.0
231.13719	0.6
237.12698	0.9
243.13837	0.6
245.15440	0.5
254.47281	0.5
255.13716	1.4
271.24298	0.7
273.14832	4.0
281.15247	0.7
289.25104	1.1
297.12454	0.5
299.20111	0.5
311.16632	0.7
317.21051	1.4
339.23230	0.9
349.21555	4.2
367.22620	7.6
385.23447	0.9
405.24069	1.3
423.25198	1.3
423.32697	0.5
441.26199	9.2
441.33420	4.0
442.26059	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62054	1.7
55.01860	8.5
55.05506	19.6
57.03417	2.9
67.05508	20.1
67.05848	3.3
68.50290	1.9
68.74400	2.2
69.07050	8.3
69.43803	15.0
69.44210	3.3
71.04977	4.5
75.62777	2.4
79.05488	19.7
81.07049	26.9
83.04974	2.5
83.08633	9.1
91.05479	16.0
93.07032	14.1
95.04961	3.7
95.08604	21.6
97.06413	1.9
97.10157	6.6
105.07011	16.2
107.04929	3.7
107.08585	10.6
109.06535	2.0
109.10139	10.8
111.08044	2.6
115.05429	5.2
117.07014	7.2
118.43003	1.9
119.08558	8.6
121.06505	10.8
121.10111	9.4
122.07369	2.3
123.08078	4.7
123.11685	3.8
125.09591	2.2
128.06218	3.2
129.03497	1.9
129.06973	16.1
131.04895	13.6
131.08560	9.5
133.06487	7.1
133.10091	3.7
135.08034	4.1
137.09619	7.6
141.06958	7.3
143.08534	11.3
144.05711	8.5
145.06470	100.0
145.10159	5.2
147.04425	2.7
147.08058	5.7
149.09602	5.6
151.11108	2.5
155.08542	8.8
157.06479	14.4
157.10156	4.7
159.08064	11.8
161.05994	5.2
161.09547	2.1
165.09102	72.2
167.08598	5.9
169.06493	7.5
169.10208	4.3
170.07301	2.6
171.08037	21.1
173.09656	2.6
177.09152	7.4
179.08531	3.6
180.09399	2.6
181.06445	3.3
181.10164	4.6
183.08070	8.5
183.11778	4.1
185.09651	11.0
185.13193	2.0
193.10193	3.9
195.08011	6.0
195.11702	15.6
197.09622	8.2
197.13275	6.9
205.12230	4.2
209.09654	4.5
209.13362	2.7
211.11229	7.3
213.12704	3.7
219.11623	2.4
221.09724	2.7
223.11189	3.2
225.12642	5.2
227.14282	11.0
235.11203	3.7
237.12701	11.3
239.14441	2.6
243.13910	3.6
249.12845	2.4
255.13774	19.9
257.15369	3.1
273.14804	39.7
281.15411	5.8
283.16904	4.7
287.16403	2.1
295.16940	3.4
297.18222	2.9
299.16452	5.1
311.16461	7.3
313.18045	4.0
321.22174	3.1
323.20096	2.2
331.20651	3.9
339.23166	10.1
349.21524	46.1
358.44186	2.2
360.09238	2.4
367.22659	65.7
368.22772	2.7
377.24606	3.4
385.23904	9.1
387.23038	4.5
405.24191	13.8
423.25534	6.0
441.26385	90.0
441.33395	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	1.5
69.63994	6.0
69.64406	1.5
79.01854	1.5
81.03427	6.4
96.90582	1.0
97.02900	2.9
109.02878	4.5
125.02344	2.6
127.03915	100.0
128.04216	1.8
143.03381	5.4
153.01825	64.0
153.02779	2.5
154.02115	1.4
171.02879	5.3
297.06055	7.5
315.07330	1.5
441.17001	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.2
54.45408	2.5
55.01854	7.8
55.05513	17.9
57.07043	2.6
67.05496	18.8
69.03395	2.8
69.07059	9.3
69.83480	15.4
71.04991	3.2
79.05489	20.9
80.07939	2.1
81.07052	20.3
83.08630	6.1
83.57058	2.5
89.17052	2.3
91.05467	10.9
93.07040	9.9
94.54478	2.6
95.08607	12.9
97.10147	6.3
101.88022	2.4
105.07038	14.4
107.04972	3.2
107.08580	12.5
107.61958	2.3
109.06499	3.6
109.10143	8.0
115.05444	4.7
117.07023	9.0
119.04981	2.7
119.08620	5.3
121.06532	11.8
121.10139	6.1
123.08045	3.5
123.11748	2.8
125.09637	4.2
128.06226	5.5
129.07010	19.8
131.04950	12.3
131.08562	11.5
133.06456	6.9
137.09631	5.1
141.06992	6.2
143.08557	14.5
144.05687	8.5
145.06473	100.0
145.10124	4.9
147.08028	7.1
149.09619	4.5
151.07549	3.4
155.08554	6.5
157.06480	15.5
157.10089	6.8
159.08022	10.6
161.05969	7.8
161.09663	2.7
165.09116	30.5
167.08604	4.7
169.06514	13.4
169.10135	3.6
170.07274	2.8
171.08076	19.5
175.07555	2.7
177.09160	4.2
181.06509	5.3
181.10120	4.0
183.08026	11.1
183.11751	3.7
184.08734	4.0
185.09576	9.2
185.13319	3.1
193.10164	4.0
195.08011	7.2
195.11655	16.1
196.78659	2.4
197.09622	5.4
197.13275	3.1
199.11218	3.5
205.12178	3.7
207.11716	3.5
209.09621	4.6
211.11143	9.1
213.12714	3.8
219.11708	3.5
223.11179	4.7
225.12674	5.9
227.14294	11.2
233.13173	2.8
235.11140	5.3
237.12769	10.2
239.14215	5.1
255.13701	15.3
257.15311	3.8
265.16028	2.7
271.72147	2.8
273.14838	36.9
281.15329	3.9
283.16953	3.7
287.16269	3.3
287.89093	2.9
293.15384	3.0
299.16452	4.7
311.16434	5.7
321.22040	2.8
339.23108	8.8
349.21658	41.1
350.22040	3.1
367.22659	67.5
368.22971	3.5
377.24908	3.5
385.23633	13.1
405.24271	12.6
423.25232	6.4
441.26364	80.0
442.26245	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	441.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	29.7
57.03436	3.4
61.02921	5.1
69.03427	18.8
70.06593	29.8
71.57069	5.5
73.02930	4.6
81.03407	10.6
82.80245	3.0
84.96014	8.5
85.02895	34.4
86.09708	8.0
87.04452	4.3
91.05480	13.4
97.02882	13.8
98.97574	73.3
102.97055	4.3
109.02863	6.0
110.97555	14.7
114.05567	3.6
116.07088	47.5
116.98616	66.4
119.04936	7.9
127.03931	18.2
127.04783	2.9
128.98608	33.0
131.00204	5.6
131.01984	3.4
132.10229	10.0
134.99651	43.1
136.07573	47.5
140.00157	4.2
140.98563	4.2
143.00166	12.3
145.01755	4.0
146.99658	37.9
147.04398	4.1
149.01201	4.5
153.00797	5.3
153.01845	17.5
153.49640	2.7
158.01280	3.8
158.99646	35.3
160.35191	2.9
161.01230	24.1
162.99104	4.3
163.02734	3.4
163.03917	4.9
165.00652	4.3
170.99680	16.1
177.00713	56.1
179.02249	4.1
182.99670	7.2
189.00708	40.1
195.01778	4.2
201.00690	55.5
201.02351	5.3
207.01787	12.3
212.02283	3.2
213.00845	4.0
218.17828	3.4
219.01718	68.1
224.02275	6.1
231.01663	6.9
237.02826	39.9
243.01688	16.0
255.03705	4.1
260.04248	4.4
261.02805	100.0
273.02585	6.1
279.03885	78.8
279.13409	22.8
291.03976	19.7
297.05045	3.5
298.12921	4.9
302.05484	5.4
303.01465	8.5
305.01508	2.7
309.04767	3.9
321.04962	35.6
339.34091	3.2
351.05945	7.1
355.09290	3.6
356.30078	2.9
441.08936	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	441.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	21.8
71.57341	1.5
74.26723	0.9
84.96040	10.5
85.02915	2.0
86.77276	1.1
94.55433	0.9
98.97581	87.5
100.99153	1.2
102.97098	1.3
110.97568	23.6
116.98618	53.7
119.00243	1.0
119.01925	4.1
124.99095	1.3
127.00741	1.0
128.98602	34.6
128.99565	1.8
131.00204	1.8
131.01894	1.6
133.03462	2.1
134.53491	1.1
134.99655	18.3
136.99225	1.1
140.00195	1.8
140.98587	7.4
143.00166	12.7
143.01923	1.2
145.01772	1.8
145.03481	2.3
146.99643	22.7
149.01204	1.6
152.98610	3.3
153.00772	1.8
155.00174	1.4
155.01889	1.1
157.03551	1.6
158.99657	32.5
161.01218	16.6
161.02667	1.2
163.02815	1.7
163.04526	2.1
165.00716	2.5
170.01283	1.5
170.99655	22.3
173.01306	1.7
173.02988	1.8
177.00710	40.2
179.02338	2.9
181.05573	2.1
182.01662	1.0
182.99629	12.2
185.03081	1.4
189.00728	35.5
191.02386	1.5
195.01802	4.5
200.02345	1.5
201.00705	52.7
202.00958	1.5
205.05617	3.1
207.01779	6.5
211.02635	1.3
211.04509	1.4
212.02538	2.0
213.00748	4.1
217.05615	4.2
219.01755	58.1
219.07120	1.7
220.01894	1.4
224.02315	2.0
225.02927	1.1
231.01781	6.0
233.03522	2.3
237.02811	23.3
242.03444	2.2
243.01770	18.6
245.05069	1.6
249.00514	1.2
249.02881	4.3
255.03874	3.0
261.02814	100.0
262.03348	1.2
267.03775	1.0
269.56384	1.1
273.02820	7.2
279.03864	72.4
280.04251	1.3
291.03848	21.5
293.72894	1.0
297.04974	4.5
302.05505	4.6
307.08780	9.7
309.04913	3.5
314.05411	1.3
321.04910	43.1
333.05023	4.1
351.05997	5.8
381.07037	2.9
399.08130	3.7
441.09088	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	440.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.9
54.42401	0.5
54.49168	0.5
55.01860	1.5
55.05513	5.3
56.05031	3.6
57.07065	1.1
58.33326	0.5
60.04527	2.7
65.03931	0.7
67.05501	12.9
68.05014	0.9
69.03420	4.7
69.07071	4.7
69.25765	0.5
69.26101	5.8
69.62406	0.5
70.06578	1.3
71.04984	3.4
71.08611	0.6
76.32494	0.5
79.05486	13.7
80.05031	2.8
81.03426	2.3
81.05801	3.5
81.07049	14.7
82.06578	4.8
83.04972	0.7
83.08623	2.3
85.06521	2.0
85.10178	0.7
87.04469	2.5
91.05470	5.7
93.07037	23.1
94.06561	19.4
95.04980	3.5
95.07347	0.9
95.08598	23.2
96.08118	3.2
96.08908	0.8
97.06532	4.3
97.10170	1.5
98.21535	1.1
103.05479	1.1
105.07018	11.6
107.07362	3.6
107.08585	2.3
108.08115	0.7
109.06493	0.6
109.10146	2.2
110.09675	10.6
110.10458	0.4
111.08073	14.4
111.11692	0.9
119.08565	2.0
121.10125	2.8
122.09657	33.2
123.08056	26.2
123.10007	0.9
123.11660	1.1
124.08364	0.5
128.10706	38.4
129.11098	0.5
133.10121	1.7
135.11659	1.6
137.13231	0.7
140.10690	100.0
141.09099	9.3
141.11015	1.9
143.08543	0.7
145.10136	1.0
147.11647	0.8
157.10139	0.9
158.11763	8.5
159.11676	0.9
161.13347	0.6
163.14870	0.6
185.13069	0.6
187.14754	0.7
189.16432	0.6
201.16382	0.8
213.16386	0.5
217.16045	0.6
233.15489	0.7
282.28082	1.1
300.28949	5.0
378.93585	0.7
392.34998	1.1
404.35162	0.6
410.36243	3.6
422.36227	12.4
423.32114	0.8
440.32315	0.8
440.37247	6.0
441.34000	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.1
55.05507	11.2
55.67056	1.0
57.03446	1.3
57.07072	4.2
63.49097	1.0
66.34058	1.0
67.05504	26.6
68.05841	1.1
69.07069	17.8
71.04984	1.2
71.08619	1.1
71.58321	1.8
79.05492	12.7
81.03430	2.9
81.07056	30.7
83.04976	1.3
83.08622	10.6
85.02919	1.2
91.05476	12.5
93.07043	23.5
93.07631	1.2
95.04983	3.0
95.08605	46.6
97.06536	1.6
97.10185	5.2
97.32906	1.0
100.07635	1.9
105.06506	0.8
105.07030	27.2
107.08594	36.9
109.06548	1.4
109.10152	33.2
111.11707	1.6
117.07075	2.7
119.08581	45.7
121.10146	26.0
123.08105	1.1
123.11697	14.5
125.09657	1.7
129.06981	1.0
131.08542	5.7
133.10129	33.6
135.11694	23.4
137.13246	6.2
139.07527	2.0
145.10149	4.9
147.04401	1.4
147.11691	33.5
149.09622	1.2
149.13264	14.3
151.07559	1.6
153.09108	7.1
157.10138	2.2
159.11690	4.8
161.13255	17.0
163.11137	1.2
163.14796	8.9
165.09102	1.3
167.10678	3.9
171.11746	1.4
173.11813	1.8
173.13284	3.9
175.11110	1.8
175.14815	13.8
177.16414	4.1
179.10716	2.1
181.12253	1.2
185.13223	1.8
187.14854	3.8
189.16388	41.0
190.16698	1.2
191.17947	57.1
193.12297	3.7
193.15887	1.2
201.16386	11.8
203.17958	100.0
204.18367	2.3
205.19518	15.9
207.17505	2.7
211.13245	2.3
213.12611	1.1
213.16397	1.9
215.17987	5.1
217.19496	11.6
219.17484	1.6
221.18985	5.8
229.19513	2.1
231.17503	2.5
231.21117	3.7
235.16939	4.9
241.19705	1.2
243.21190	1.8
245.22668	2.8
247.16919	3.7
249.18517	14.7
257.22650	1.4
261.18604	1.8
269.22598	1.5
393.35165	7.4
439.19968	10.1
439.26709	3.7
439.35840	16.2
440.36288	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3569
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05508	12.3
57.07070	7.7
67.05507	26.2
69.03416	3.0
69.07067	25.7
71.04967	2.4
71.08631	3.5
71.19375	6.2
76.53993	2.0
79.05479	11.5
81.07056	68.3
83.08626	11.2
91.05493	10.9
92.80018	2.2
93.07050	25.5
95.08604	100.0
97.10168	8.1
105.07034	22.1
107.08592	29.7
109.10162	47.9
109.10916	2.4
111.11739	5.1
117.06984	2.9
119.08566	28.7
120.78815	2.2
121.06542	3.5
121.10134	29.0
123.08056	3.1
123.11700	25.6
129.07019	4.1
131.08565	15.3
131.10139	2.2
131.40495	2.0
133.06425	2.2
133.08607	2.8
133.10126	26.6
135.08087	4.1
135.11679	14.0
137.09613	2.4
137.13254	33.8
143.08539	8.8
145.10112	19.2
147.08066	3.2
147.11673	17.1
149.09612	6.5
149.13252	13.1
151.11143	2.6
151.14825	4.1
155.08533	3.2
157.10205	10.9
159.11671	16.6
161.09644	3.2
161.13231	11.0
163.11177	4.0
163.14825	8.8
169.10207	5.2
171.11697	8.5
173.09616	3.6
173.13240	13.2
175.11230	4.0
175.14848	9.9
177.12778	3.5
177.16415	4.6
179.17981	4.6
183.11711	4.7
185.13292	10.7
187.14793	12.6
189.16362	9.7
191.17943	6.5
197.13290	2.4
199.11256	2.5
199.14856	9.7
201.16400	8.3
203.14297	4.1
203.17966	5.8
205.12250	3.1
205.16002	3.0
205.19608	3.3
211.14833	3.0
212.56232	2.1
213.16328	12.2
215.17899	10.9
217.15976	2.6
219.13580	2.7
221.13535	2.5
225.16373	3.6
227.17934	3.7
229.15912	3.1
231.17371	3.7
233.15401	3.8
239.17996	2.4
241.15669	2.2
241.19525	7.0
243.21042	7.1
245.15619	2.7
255.21211	6.2
257.22653	3.2
297.25848	3.0
379.29797	2.7
393.35443	12.7
403.29541	3.4
409.34241	2.6
421.35474	11.9
439.36319	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	439.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.7
55.05500	21.9
56.28846	3.0
56.96555	3.4
57.03436	7.1
57.07058	3.4
59.04988	5.0
60.13621	2.7
61.02918	4.1
67.05502	100.0
69.03426	7.2
69.07053	9.5
69.51071	21.4
71.04993	5.7
73.68935	2.5
79.05499	18.8
79.08324	2.5
81.03419	32.5
81.07053	39.7
82.07319	2.7
83.04970	9.6
83.08614	17.0
85.02902	21.6
85.06539	5.6
87.04411	3.4
91.05486	27.4
93.07054	23.7
95.04957	15.2
95.08594	11.0
97.02879	4.9
97.06544	4.9
98.20753	5.9
98.97605	5.2
105.07010	20.9
107.04959	4.6
107.08590	16.6
109.06509	4.7
109.10157	73.0
111.08060	10.0
119.08553	21.9
121.10128	16.1
123.08017	3.4
123.11700	4.3
129.07004	6.0
131.08502	6.8
133.06454	3.0
133.10141	17.7
133.43826	2.8
135.11736	3.5
137.09605	14.4
145.10133	3.6
147.11678	8.8
149.09615	5.6
149.13173	2.9
151.11234	3.1
155.10611	4.4
157.10126	7.4
161.13321	2.6
165.09128	6.2
173.11710	19.1
175.11172	9.7
175.14810	7.9
177.00665	2.8
177.93938	2.8
193.12189	29.9
201.16313	3.6
211.13239	27.1
217.15771	3.8
259.20630	8.1
277.21634	25.5
328.09259	3.1
439.26898	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	439.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04013	1.1
53.03930	1.5
55.01868	2.0
55.05507	16.5
57.03439	6.8
57.07056	1.5
59.04993	4.5
64.41446	1.1
65.03928	3.3
67.05501	100.0
69.03419	1.5
69.07068	7.2
70.11073	5.1
71.04988	5.7
74.05159	1.3
75.31583	1.1
79.05492	15.7
81.03414	29.6
81.07056	30.8
83.04977	6.5
83.08616	17.5
85.02898	16.9
85.06540	3.5
91.05475	23.1
93.07048	14.1
93.38905	1.3
95.04955	15.4
95.08604	14.1
97.06508	3.0
97.10171	3.5
99.08085	1.3
105.07028	14.3
107.04958	2.8
107.08582	9.9
109.06513	4.0
109.10153	64.4
111.04433	1.2
111.08071	9.3
117.06982	2.1
119.08577	18.3
121.10136	10.0
123.08060	2.6
123.11685	2.7
125.06039	1.3
125.09602	3.4
129.07018	5.4
131.08566	7.4
133.10132	10.3
135.11624	3.2
137.09639	5.0
137.13242	2.0
137.60721	1.5
142.07764	2.2
143.08536	1.6
145.10107	2.4
147.08061	1.7
147.11696	10.2
149.09615	3.1
149.13252	2.6
151.11176	1.1
155.10674	2.3
157.10130	10.3
159.11693	3.2
161.13222	1.4
169.10184	1.3
171.11734	2.4
173.11755	15.4
173.13145	2.6
175.11176	6.1
175.14742	1.3
185.13307	1.7
193.12247	26.7
211.13272	27.5
215.14171	1.4
229.14250	2.2
374.44626	1.2
421.30890	1.9
439.26871	30.7
439.32150	4.9
440.27243	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
53.67373	1.0
55.01860	3.4
55.05505	15.9
56.65914	0.9
57.03430	6.7
57.52589	0.8
59.04992	3.6
65.03928	2.5
65.38561	0.8
67.05501	100.0
68.05820	1.3
69.03415	3.7
69.07072	8.3
71.04998	5.8
75.56458	0.9
75.63819	0.8
79.05487	15.8
80.25595	0.9
81.03414	31.4
81.07051	33.4
83.04979	8.9
83.08611	18.7
85.02892	17.5
85.06538	4.2
87.04504	1.2
91.05470	23.4
93.07034	14.7
95.04958	16.0
95.08593	15.8
97.02873	3.2
97.06522	3.3
97.10176	1.8
99.04439	1.3
105.07024	14.1
107.04927	3.9
107.08584	11.1
109.02895	1.1
109.06527	5.3
109.10150	67.4
110.10532	1.6
111.08070	9.4
113.05991	1.8
115.05447	2.8
117.06998	2.9
119.08575	17.9
121.06497	2.3
121.10143	8.0
123.08094	1.6
123.11704	5.0
125.09614	2.7
129.06967	6.0
131.08557	7.4
133.06461	1.2
133.10130	8.7
135.08075	1.4
135.11694	3.4
137.09607	8.2
137.13254	1.1
142.07768	2.1
143.08540	1.2
145.10100	3.0
147.08026	2.1
147.11664	10.8
149.09633	3.6
149.13249	2.6
151.11147	1.5
155.10678	3.1
157.10103	9.2
159.11688	1.8
161.13235	1.5
163.11147	1.2
165.09097	18.8
165.12720	1.8
171.11662	1.1
173.11726	20.7
173.13167	1.3
175.11142	7.9
175.14919	1.3
183.06485	1.1
187.14757	1.7
191.10640	1.2
193.12236	33.3
193.62614	0.9
205.12245	1.9
209.13217	1.3
211.13257	33.5
227.18071	1.3
229.14348	1.7
267.09180	1.2
267.15973	2.4
285.10205	3.0
421.25616	1.0
439.26871	40.6
439.32083	2.9
440.27335	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82106	0.9
53.03933	1.7
55.01863	2.2
55.05265	1.4
55.05508	16.0
56.16771	1.1
57.03442	7.9
57.07057	1.9
59.05007	5.9
64.96452	1.0
65.03931	2.8
67.05502	100.0
69.03423	3.0
69.07056	4.7
70.29037	5.8
71.04983	6.2
73.70559	1.2
77.99741	1.0
79.05491	15.5
81.03416	34.3
81.07052	23.7
83.04523	1.2
83.04977	6.2
83.08614	18.8
85.02903	20.6
85.06527	2.8
91.05492	20.0
93.07041	13.7
95.04963	15.4
95.08615	11.0
95.72202	1.0
97.02882	2.7
97.10139	2.1
99.08073	1.5
105.07037	12.6
107.04939	1.9
107.08580	6.7
109.06499	2.6
109.10152	77.8
111.08070	9.2
112.08255	1.1
113.05970	1.6
117.06999	2.1
119.08567	16.3
121.10127	4.8
123.11736	1.2
125.09628	1.8
129.07002	6.0
131.08591	6.1
133.06541	1.6
133.10135	4.6
137.09615	3.4
147.08145	1.4
147.11694	8.7
149.09621	3.2
155.10667	4.4
157.10121	7.0
165.09085	1.9
165.12755	2.4
167.06844	1.0
173.11737	24.4
175.11115	9.2
193.12239	37.3
194.12543	1.7
211.13287	40.1
229.14307	2.6
286.64883	1.2
354.08578	1.1
439.26868	45.3
440.27460	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	439.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53986	0.8
53.03941	2.3
55.01866	2.0
55.05507	15.8
56.96567	1.8
57.03441	7.8
57.07067	1.8
59.05009	5.9
61.02924	2.2
65.03934	3.9
67.05502	100.0
69.03423	5.4
69.07063	7.1
71.05000	6.2
73.02920	2.5
79.05489	16.6
81.03419	34.3
81.07057	31.6
83.04959	6.9
83.08617	15.9
84.08141	1.1
85.02901	20.4
85.06551	4.6
87.04465	1.3
91.03983	1.5
91.05479	24.9
91.06007	2.0
93.07034	12.2
95.04961	14.8
95.05482	1.3
95.08600	12.0
95.09102	1.2
97.02914	4.2
97.06577	1.9
97.10178	1.8
98.20783	1.6
99.17285	0.9
105.07031	11.7
107.04964	2.1
107.08582	9.0
109.06526	3.3
109.10154	63.6
111.04424	1.4
111.08076	9.3
113.06000	2.3
117.07004	1.9
119.08585	16.8
120.08125	1.9
121.06531	1.5
121.10140	7.3
123.08108	1.2
123.11671	2.1
125.09605	1.7
127.03947	1.3
127.11236	1.0
127.82435	1.0
129.07014	5.4
131.08549	7.0
133.06522	1.4
133.10106	5.8
137.09612	4.9
137.13338	1.2
142.07791	1.3
145.10120	1.2
147.08092	1.8
147.11676	11.6
149.09641	3.9
151.07469	1.0
151.11203	1.2
155.10722	2.3
157.10101	6.5
161.09698	1.3
165.09120	6.7
165.12753	2.6
173.11760	18.0
173.13165	2.1
175.08797	2.0
175.11192	9.4
193.12236	32.7
205.44670	1.0
211.13284	37.7
211.15244	1.9
212.30710	1.0
229.14246	1.4
261.09738	1.0
267.15976	1.6
269.12408	2.7
270.12540	2.1
271.12460	1.6
285.10239	2.5
352.60507	1.1
371.21030	1.1
439.27094	41.8
440.27493	1.9
449.91119	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82595	0.7
52.10511	0.6
53.03934	2.8
55.01860	2.7
55.05268	1.2
55.05511	16.8
57.03431	4.8
57.07056	2.8
59.04987	2.0
59.20738	0.6
65.03934	2.2
67.05503	79.7
68.05865	1.1
69.03410	1.3
69.07069	10.2
70.19018	2.3
70.19437	1.5
71.04991	7.7
73.06576	1.0
77.03922	0.9
79.05494	29.2
81.03413	3.5
81.07055	100.0
82.07388	1.0
83.01315	0.9
83.04985	6.0
83.08624	10.7
85.02899	1.5
85.06540	10.5
86.39845	0.7
86.97105	0.7
87.48672	0.7
88.63136	0.7
91.04901	0.9
91.05475	19.2
91.06017	1.3
93.07042	27.8
93.07635	1.4
95.04962	7.0
95.08603	16.9
97.06528	6.8
97.10174	2.7
99.08089	1.7
105.07027	9.2
107.04963	1.6
107.08591	17.7
107.09295	1.0
109.06530	2.7
109.10154	22.3
110.10544	0.8
111.08098	3.5
113.06007	1.0
115.05457	1.1
117.07027	4.4
118.86707	0.8
119.08575	6.1
121.06542	2.4
121.10138	12.2
123.08111	1.5
123.11700	11.1
125.09674	1.4
127.07549	0.8
129.07028	0.9
131.08580	5.5
133.10120	12.5
135.08070	1.5
135.11696	7.7
137.09590	1.0
139.11192	0.8
143.08583	0.9
145.10130	4.3
147.11714	2.3
149.09586	1.7
149.13257	14.0
149.14363	1.0
151.11163	4.7
153.12714	1.0
155.10652	0.7
156.99815	0.7
157.10164	1.5
158.99208	0.7
159.11684	7.8
161.13307	0.8
163.11238	3.4
169.12283	1.5
173.09595	1.5
173.11801	4.5
173.13141	1.2
175.14891	1.0
177.12775	2.2
181.12303	1.1
185.13289	0.8
187.13300	9.4
187.14828	1.0
191.10728	1.6
195.13876	3.6
209.11841	1.9
227.12857	1.8
275.91766	0.7
327.19666	0.8
368.86694	0.9
437.19702	28.5
437.29428	27.1
437.33795	1.8
438.19894	2.7
438.29657	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01772	0.9
53.03930	2.5
55.01879	6.7
55.05515	19.2
57.03451	4.2
57.03656	1.0
57.07053	1.5
59.04995	6.4
65.03916	2.2
67.05506	100.0
68.05825	0.8
69.03407	1.2
69.07063	6.6
71.04993	6.4
72.05534	0.8
78.88412	0.7
79.05495	18.8
81.03406	7.6
81.07056	34.1
83.01347	4.0
83.04982	7.5
83.08624	10.3
85.02871	2.0
85.06543	5.1
91.05475	16.9
93.06493	1.3
93.07045	21.2
95.04967	6.0
95.08071	1.1
95.08607	12.2
97.06549	4.5
97.10167	1.3
99.04413	1.9
105.07025	7.2
107.04964	5.8
107.07963	1.1
107.08587	12.0
109.06525	4.9
109.10155	62.9
110.10435	1.3
111.04411	1.8
111.08090	4.5
117.07047	5.0
119.08583	11.8
121.06464	2.4
121.10132	5.8
123.08083	6.1
123.11671	1.9
125.05952	1.3
125.09566	2.2
129.06950	1.3
130.07771	1.1
131.08528	2.6
132.05603	0.8
133.06476	1.2
133.10074	2.9
135.08012	2.3
135.11685	8.8
137.09663	4.3
139.07436	1.1
145.10138	9.4
147.08011	1.2
149.13222	1.7
153.12727	4.1
155.08536	0.9
155.10609	3.6
159.11652	1.2
163.11179	18.4
173.09505	1.7
173.11749	18.1
181.12195	3.5
191.10620	2.5
195.13771	0.8
209.11705	6.1
227.12697	2.4
339.56308	0.8
352.02286	0.8
373.00134	0.9
437.19543	2.3
437.25052	35.2
438.25494	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	35.3
55.01862	26.7
57.03432	31.4
62.84540	23.9
65.53829	23.0
69.03422	68.3
69.07045	21.7
70.43881	24.5
71.04992	35.6
71.57509	40.4
72.39751	21.6
79.05500	56.3
81.03409	63.0
81.07047	73.5
83.04981	32.6
85.02916	93.7
89.07179	28.9
91.05483	71.9
93.07061	39.1
95.04984	30.1
97.02885	58.0
97.06520	25.5
101.06010	53.2
109.02883	77.3
111.04443	29.5
113.73489	24.2
121.06465	28.8
127.03864	57.2
137.06006	43.6
137.08022	22.3
138.05528	76.9
139.07530	54.8
153.01811	100.0
158.97388	29.7
167.07074	61.8
176.98491	25.2
216.97940	36.8
234.99074	28.6
238.57874	24.1
257.04492	24.6
275.02179	25.6
359.41370	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	437.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94837	1.2
53.03951	2.7
55.01871	8.6
55.05259	1.9
55.05510	21.2
56.96570	5.6
57.03423	5.2
57.07064	5.3
59.04992	4.9
61.02918	3.0
65.03938	2.6
67.05502	100.0
69.03429	4.4
69.07066	9.8
69.42902	3.5
69.43316	6.6
70.06590	1.3
71.04994	7.6
73.02921	3.0
79.05490	23.1
79.39948	1.0
81.03413	9.0
81.07058	40.5
83.01325	5.3
83.04980	9.5
83.08621	12.3
85.02898	4.8
85.06548	4.4
88.07614	2.0
91.03950	1.5
91.05475	20.0
93.07039	26.0
95.04993	6.4
95.08600	23.7
97.02908	5.7
97.06528	5.5
97.10174	3.1
98.97616	1.8
99.04439	2.6
99.08096	1.4
103.05486	1.1
105.07026	18.4
106.14014	1.2
107.04957	5.7
107.08595	19.8
109.06507	6.3
109.10154	72.2
111.04427	2.6
111.08079	5.1
116.98627	1.3
117.07020	8.8
119.07787	2.1
119.08573	18.5
121.06492	4.8
121.10134	14.3
123.08067	5.8
123.11707	5.7
125.09648	1.2
127.03918	2.1
127.11147	1.5
129.06992	3.7
130.07762	1.6
131.08539	7.5
133.10141	9.5
135.08099	2.6
135.11681	13.0
137.09631	6.4
137.13243	1.8
143.08562	2.3
145.10126	15.9
146.99648	1.3
147.08031	2.7
147.11690	6.3
149.02313	7.5
149.05946	1.4
149.09546	3.2
149.13255	3.9
151.07462	1.2
153.01842	1.4
153.12743	3.9
155.08551	3.3
155.10658	2.2
156.09338	1.2
157.10104	3.7
159.11650	5.9
161.09581	1.4
161.13283	2.8
163.11165	17.0
165.09108	7.9
165.12799	1.8
169.10155	1.9
171.11659	2.1
173.09604	2.9
173.11758	18.2
173.13167	2.7
175.14856	2.2
177.12813	1.3
181.12222	4.8
183.11601	2.1
185.13301	2.4
187.14784	2.5
189.16478	2.1
191.10690	2.7
193.04964	5.1
193.12308	1.3
195.13751	1.6
197.13274	1.5
197.82341	1.4
199.11189	1.5
201.16507	2.7
205.12224	1.3
209.11661	5.4
211.14873	2.7
213.07967	1.6
213.16388	2.0
225.16374	1.2
227.12711	7.5
228.23225	6.4
229.09213	1.5
231.09048	2.9
235.08974	2.1
237.07527	7.5
269.10660	6.1
285.10306	1.2
287.11713	4.5
316.11652	4.6
325.12119	1.5
419.33057	2.8
437.25146	27.1
437.34604	8.9
438.28549	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	437.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	26.0
55.01878	24.4
55.05496	27.1
55.87715	23.4
57.18404	21.1
68.58832	23.9
69.03413	48.0
70.06601	29.2
71.01361	23.5
71.56909	38.1
73.99367	24.1
79.05479	100.0
79.17384	24.3
81.03403	36.4
81.07045	49.8
83.04976	33.8
85.02892	96.5
91.05464	62.4
93.07032	79.0
95.04986	27.2
95.08575	24.0
97.02901	39.4
101.05995	39.3
103.05441	35.4
105.07025	37.4
109.02892	30.7
109.06522	27.3
121.06549	28.5
127.03919	52.2
137.02295	27.7
137.05977	37.5
139.07538	92.3
153.01825	98.7
163.03902	34.3
167.07053	27.8
171.97540	24.7
186.75446	26.3
328.71750	26.2
437.10065	43.7
445.89175	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	437.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70924	2.0
56.96558	6.4
58.77641	2.0
69.03408	9.9
69.76604	15.8
77.91922	2.0
79.01832	3.5
81.03396	5.4
81.07011	3.2
85.02895	8.6
91.05476	3.5
97.02876	7.8
97.06522	2.3
98.97551	4.5
109.02858	6.9
116.98630	2.6
119.04896	3.0
125.02354	5.5
127.03906	8.2
143.03400	8.4
145.04927	2.4
147.04370	6.4
153.01823	100.0
163.03902	5.5
166.55731	2.9
171.02905	8.9
178.20279	2.1
183.96811	2.8
191.03339	6.6
213.29996	2.0
221.00824	4.3
247.02328	8.2
257.00909	3.3
259.02368	3.3
275.01813	5.5
275.05988	2.1
277.03476	4.9
295.01328	2.8
297.05957	4.5
303.01331	21.3
304.01559	5.0
315.07135	6.7
332.98990	2.5
339.00348	3.9
351.00235	3.8
373.63995	2.6
394.99158	5.6
426.05353	2.5
437.16019	14.5
450.48004	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01871	2.0
55.05511	17.0
56.17968	1.5
57.03441	2.2
57.07078	2.0
59.04992	3.7
60.55566	1.6
65.03935	3.7
65.25822	1.6
66.35580	1.4
67.05505	100.0
69.03421	3.3
69.07069	9.2
71.04993	4.9
71.58217	2.1
79.05492	41.4
81.03409	4.7
81.07052	35.8
83.04980	6.8
83.08620	9.1
85.06545	4.9
88.70411	1.4
91.05476	36.3
93.07046	34.2
94.69853	1.5
95.04970	15.0
95.08604	24.3
97.06525	3.6
97.10191	3.6
99.08079	1.8
105.06387	2.3
105.07033	25.4
107.04948	5.5
107.08584	16.3
109.06521	23.8
109.10157	55.9
111.02173	1.7
111.08103	4.5
117.07012	6.9
119.08579	21.3
121.06547	3.3
121.10155	10.7
123.08051	5.4
123.11717	3.3
125.09686	1.6
129.07014	9.2
131.08577	4.8
133.10109	12.4
135.08063	3.2
135.11691	6.6
137.09608	4.4
143.08568	6.5
145.10127	10.4
147.08078	2.3
147.11682	19.4
149.09589	1.8
151.07491	2.6
154.52002	1.5
155.10638	2.2
156.09363	2.1
157.10196	4.5
159.08037	2.0
159.11699	5.3
161.09648	4.7
161.13281	7.3
163.11209	2.5
163.14755	1.6
166.16135	1.6
169.10120	2.7
171.11685	15.3
173.11742	14.0
173.13188	3.1
175.14766	2.7
183.11693	3.9
185.13264	4.8
189.12691	7.6
189.16499	2.2
195.11798	1.9
199.11096	1.7
207.13718	10.8
209.13167	2.3
241.15924	1.9
303.01352	3.4
343.22757	3.0
417.32004	2.3
435.27493	28.3
435.32574	13.5
436.27634	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.274
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03949	6.4
55.01869	3.9
55.05515	25.8
57.03439	15.8
57.07092	2.1
59.04990	2.9
59.94395	1.9
65.03938	5.9
67.05504	100.0
69.03428	4.0
69.07066	25.1
71.01359	5.0
71.04989	7.4
77.03935	2.1
77.04542	1.7
79.05137	1.8
79.05490	75.2
81.03407	11.8
81.07053	56.2
83.04992	16.3
83.08624	10.5
85.06557	6.1
91.05480	49.4
93.07043	80.8
93.07633	4.1
95.04970	22.6
95.08612	26.1
97.06540	18.1
97.10178	16.2
97.74327	1.9
99.08109	5.2
103.05509	2.1
105.07029	23.0
107.04961	7.1
107.08590	50.2
109.06545	7.1
109.10149	32.6
111.08093	5.7
115.05469	3.7
117.06995	12.1
119.08573	21.5
121.06536	5.9
121.10142	16.7
123.08126	2.4
123.11757	3.7
125.09624	4.4
129.07014	7.6
131.08574	5.4
133.10130	13.8
135.08078	3.3
135.11693	73.3
139.07553	2.2
142.07751	2.2
143.08549	5.0
145.10104	21.1
147.08089	4.6
147.11661	9.8
149.09634	4.4
149.13254	2.6
153.12750	2.0
157.10197	4.4
159.11731	5.2
161.09645	3.0
161.13257	4.4
163.11183	12.1
167.07104	4.1
171.11697	7.5
173.11774	4.4
173.13266	2.1
175.11174	3.2
175.14909	2.3
177.12737	2.0
181.04953	5.8
181.12225	13.0
184.96317	1.9
185.13277	2.6
187.11125	1.8
189.12816	2.8
191.14172	1.9
196.99869	1.9
197.13306	2.1
199.13275	2.8
201.12866	1.9
207.13884	4.5
214.17682	1.9
233.08075	3.8
303.01517	4.7
303.04794	3.6
325.21594	2.9
335.23904	2.3
343.22650	7.7
417.15765	2.4
417.26236	4.3
435.27454	52.4
435.32614	4.1
436.27927	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	435.2737
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03933	4.8
55.01861	9.8
55.05505	28.2
57.03437	14.8
57.07089	3.1
61.02938	2.8
65.03923	4.7
67.05500	57.7
68.35035	2.3
69.03423	4.6
69.07066	19.0
69.20003	2.6
69.83053	2.5
70.71916	8.5
71.04984	4.5
79.05487	48.9
79.82188	2.3
81.03396	10.7
81.07047	53.6
83.04961	9.7
83.08640	12.4
85.06528	5.5
91.05474	42.2
93.07034	42.3
95.04965	66.5
95.08604	29.0
96.22141	2.6
97.06525	7.1
97.10171	12.0
99.08060	2.6
101.73257	2.6
103.05486	2.4
105.07023	33.6
107.04262	4.8
107.04930	33.0
107.08588	29.2
109.02952	2.7
109.06518	12.4
109.10149	21.4
110.10072	2.4
111.08087	5.4
115.05402	3.8
117.07011	15.6
119.08583	24.2
121.06493	26.5
121.10124	12.8
123.08042	8.2
123.11716	3.0
125.09616	9.0
128.06154	3.3
129.06970	14.3
131.04941	4.3
131.08560	21.7
133.06465	9.8
133.10130	16.1
135.08051	10.7
135.11694	16.7
137.09581	3.6
139.07526	4.0
141.06998	5.6
143.08545	13.3
145.06479	8.1
145.10121	22.1
147.08031	11.1
147.11673	8.4
149.09610	10.3
149.13289	3.4
151.11172	3.8
152.76605	3.7
153.12704	4.4
155.08543	7.2
157.06581	3.9
157.10126	9.1
159.08078	3.3
159.11705	9.9
161.09602	10.1
163.11212	8.8
167.07039	7.8
167.08434	4.9
169.10089	7.4
171.08035	5.9
171.11682	11.4
173.13258	8.0
175.11177	8.7
175.46268	2.7
177.12692	3.2
178.32716	2.8
181.04970	8.2
181.10126	4.0
181.12302	4.3
183.11662	5.1
185.13269	5.4
187.11244	4.7
189.09097	7.0
189.11282	6.4
193.12204	4.8
195.11693	3.7
197.13274	4.9
199.14784	5.2
205.12245	4.3
207.13754	3.4
215.14166	2.9
217.12222	4.8
217.14320	6.5
223.13268	7.4
231.13805	3.7
233.08089	3.6
233.15276	4.6
245.15314	3.8
249.14857	2.8
259.16782	3.2
263.09198	2.7
267.36380	2.3
277.18130	3.3
281.10739	3.7
297.22180	2.6
307.02515	2.5
315.23212	10.1
322.12015	3.9
325.21564	16.7
333.24359	3.2
343.22647	100.0
355.23288	3.2
361.23679	21.7
363.23282	2.9
373.23874	4.2
381.24240	4.2
399.25211	9.0
417.15344	3.3
417.26331	55.7
418.26352	3.2
435.27393	55.2
435.32394	5.0
436.28180	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	435.0918
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
52.82370	1.3
57.03430	5.2
61.02919	2.4
69.92223	1.4
71.11229	1.6
71.11536	2.0
73.02917	11.1
132.67094	1.3
137.02342	1.9
153.01848	4.3
165.01840	2.3
169.72525	1.3
201.05446	1.8
212.14624	1.2
217.81841	1.6
229.04958	3.8
257.04507	3.6
285.03961	2.2
303.04968	100.0
304.05530	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0918
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
58.29277	0.9
61.02916	1.7
68.73535	1.1
69.26105	1.1
69.26289	1.8
69.26713	9.9
73.02925	11.6
121.02897	1.2
133.07028	1.1
137.02342	3.9
153.01825	5.9
165.01744	2.3
181.08630	1.8
187.05788	1.1
199.19543	1.1
201.05475	3.3
205.41141	1.2
229.04950	3.7
247.06046	1.2
257.04404	2.3
303.04971	100.0
304.05246	2.8
343.26266	1.3
417.42331	1.1
436.99048	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1288
Annotation	Chalconaringenin 4-glucoside
Peak:m/z	Relative Intensity
51.02373	2.4
53.03942	2.3
55.05511	2.2
57.03439	4.2
61.02913	1.9
65.15904	1.5
67.05492	4.0
69.03435	8.6
69.52766	2.7
69.53175	13.2
71.04995	2.1
79.05487	6.5
79.95129	2.6
81.03414	10.4
81.07045	5.2
83.98450	2.2
85.02905	25.4
87.04485	2.5
91.05485	10.2
93.07046	4.9
95.04943	4.0
95.08611	2.3
97.02887	11.0
103.05451	11.1
105.07029	4.6
107.04944	12.0
109.02873	6.7
110.05473	1.9
111.00797	2.6
111.04454	2.1
111.08112	2.4
115.05511	2.6
117.07023	2.7
119.04931	11.6
121.02869	14.3
121.06541	3.9
122.03667	4.5
123.04390	9.7
127.03928	6.6
129.06999	3.5
131.04929	13.9
133.06462	2.7
137.05975	41.2
145.04930	2.7
145.06512	2.2
145.14449	2.6
147.04420	37.2
149.06021	2.6
151.07573	2.9
153.01820	79.2
157.06468	2.5
158.13635	1.6
159.08089	3.2
161.05994	7.8
163.03886	4.6
163.07564	7.8
165.01863	12.6
165.06918	3.0
167.07053	10.0
167.08521	2.3
171.02899	9.2
172.05205	2.2
175.07527	2.6
177.01851	4.5
178.07683	1.9
179.03464	2.9
179.08556	3.3
181.04961	7.9
181.08614	4.9
183.02945	14.1
189.01892	2.5
189.09134	5.1
191.03410	8.8
195.02876	42.6
195.08060	4.0
197.09631	2.9
205.05009	2.0
207.02888	2.3
209.00601	2.5
213.09120	2.8
219.02878	18.5
219.08220	2.7
221.06090	2.1
224.08728	1.8
225.09171	6.6
227.07043	3.2
231.02876	9.8
233.08142	5.6
243.02910	2.7
249.03992	8.0
253.08690	3.3
255.06445	2.7
259.09589	2.0
261.03983	11.8
273.07565	100.0
274.08017	4.7
279.05090	3.3
283.09702	2.7
285.07626	18.2
285.11234	14.9
297.07468	6.3
297.11014	2.2
299.12784	2.6
303.01535	4.6
303.04694	3.4
315.08585	7.2
332.37540	2.1
339.08694	11.2
340.08401	1.9
351.08713	6.7
360.15631	4.2
361.16458	2.8
363.08334	3.9
381.09985	3.0
399.10574	3.5
417.15637	3.9
435.17667	8.3
446.44418	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	435.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.7
55.70552	2.3
57.03440	2.8
58.17176	2.5
65.03953	4.6
67.05496	4.4
69.03442	6.5
69.07047	2.8
69.80245	16.7
70.52000	2.7
73.02903	3.0
79.05495	18.7
81.03429	5.2
81.07051	7.0
83.05000	3.3
83.71249	2.4
85.02892	6.2
91.05482	32.6
91.65096	2.6
93.07050	16.3
95.04979	14.6
95.08621	6.5
97.06561	2.6
103.05480	13.8
105.07034	14.1
106.04160	2.5
107.04953	40.4
107.08633	3.3
109.02876	4.0
109.06548	2.6
110.03664	4.0
111.04443	6.7
115.05450	7.2
117.07033	9.5
119.04949	8.6
119.08591	8.2
121.02821	2.8
121.06486	27.4
123.04444	9.2
124.05183	6.0
125.06000	7.5
127.03954	4.8
128.06210	9.5
129.07005	28.2
131.04942	11.3
131.08539	14.8
133.06509	10.1
133.10144	5.0
135.04437	5.2
135.08051	11.5
137.05981	31.0
138.06787	3.4
143.04958	4.5
145.06470	13.5
145.10146	3.1
147.04414	7.3
147.08064	4.0
148.05206	3.1
149.05910	12.4
149.09605	3.5
150.06755	3.3
151.03912	8.6
151.07549	24.3
152.04619	4.5
153.01822	11.4
153.05450	25.0
157.06520	24.0
161.05983	36.7
161.09636	11.2
162.06696	3.4
163.07549	24.3
165.05646	5.6
165.07033	11.6
165.09125	9.9
166.06345	13.1
166.07547	3.5
167.07059	93.2
167.08449	5.7
170.07301	2.8
171.08122	3.3
173.06052	6.2
174.06763	14.5
175.07524	13.9
177.05473	8.2
177.06946	4.7
177.09155	9.9
179.07103	6.2
179.08554	6.0
180.07817	3.8
181.05180	18.0
181.06598	8.0
181.08594	100.0
182.07397	5.6
182.08971	4.1
183.08066	3.5
187.07558	4.8
189.09106	82.5
190.09399	3.9
191.08554	7.0
191.10730	4.6
193.06691	5.6
193.08508	3.7
194.07253	5.6
195.08047	15.6
195.09828	2.8
196.08849	3.0
197.06052	4.0
197.09653	11.3
198.06866	3.3
199.07581	3.3
201.05385	4.3
201.09242	3.3
207.08076	7.1
207.10190	17.4
208.08897	7.3
209.06111	4.2
209.07959	4.1
210.06772	6.5
211.07578	7.8
212.08344	5.3
213.09067	5.8
219.08055	9.1
219.10083	4.1
221.05949	7.7
221.09766	3.4
222.10289	2.7
223.07558	13.6
223.11159	4.4
224.08212	5.6
225.05553	5.2
225.09135	22.4
227.07048	11.3
229.12210	3.8
233.07973	14.3
236.08340	4.8
237.09055	6.5
238.06343	3.9
238.09669	3.1
239.07083	5.1
240.07779	6.4
241.08517	13.0
242.09358	3.7
249.09207	3.7
250.10023	2.8
251.07103	10.2
251.10692	7.4
252.07796	3.9
253.08685	20.4
255.06602	8.0
255.10254	10.3
257.08286	3.1
257.11768	16.7
265.08731	6.1
267.06320	2.7
267.10147	5.8
268.07376	6.0
269.08234	12.6
270.08823	6.5
271.09607	4.2
271.13239	4.7
279.10172	7.6
281.08099	3.2
283.09671	16.1
283.13293	10.7
284.10397	4.7
285.11160	41.3
294.05069	3.0
297.11176	5.8
299.09308	4.0
299.12717	6.9
300.10144	4.2
302.11594	9.0
303.04880	17.2
311.12796	10.9
315.12280	20.1
316.12836	7.7
317.13806	26.8
328.12811	3.0
329.13855	8.1
331.15393	6.2
343.15506	19.6
346.14111	20.3
359.14847	12.4
360.15695	70.4
361.16400	47.1
362.16727	3.2
417.15570	8.2
435.20480	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	434.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
53.51194	1.8
55.01881	3.9
57.03437	24.5
59.05008	3.2
60.04515	2.7
61.02927	6.1
69.03429	81.2
69.25934	27.7
73.02897	9.9
75.04499	3.0
81.03398	6.6
84.04462	2.2
85.02902	100.0
87.04464	51.7
91.03958	4.4
97.02888	71.9
98.21515	4.2
99.04441	4.1
103.05505	3.1
105.07039	6.8
109.02869	6.5
115.03927	76.9
115.04751	3.8
127.03920	17.9
133.04955	80.7
145.04944	30.7
150.07634	12.8
153.01869	2.8
163.05988	14.8
189.09175	2.8
201.09137	2.4
223.06021	2.2
259.08130	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01873	2.6
57.03434	11.4
61.02918	4.7
69.03431	20.5
70.73044	2.2
71.04992	1.6
72.77527	1.2
73.02920	11.3
73.56406	1.1
79.05498	4.5
81.03412	4.6
82.46204	1.6
85.02903	49.9
86.17403	1.1
87.04461	10.2
91.03957	3.0
91.05498	2.4
95.04959	2.2
97.02895	27.8
99.04430	3.5
103.05482	3.0
105.07027	100.0
109.02872	5.1
115.03921	26.8
117.06997	3.0
119.08579	6.1
127.03921	17.1
129.07031	4.4
133.04951	29.0
143.08539	2.2
145.04956	33.4
145.06282	2.4
145.06552	2.4
147.08038	9.3
150.07628	6.9
153.01833	3.9
155.08568	2.3
159.08051	2.0
161.06123	1.2
163.06044	11.8
167.07072	1.9
173.09499	1.7
188.03754	1.3
189.09134	3.2
201.09094	2.1
201.62744	1.3
219.10129	2.3
241.07262	2.6
249.11247	1.6
259.07913	1.6
275.01929	2.0
277.09232	1.5
295.10165	1.9
303.01508	13.5
303.04810	3.1
358.83206	1.5
383.76440	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0559
Annotation	Ellagic acid-4-O-beta-D-xylopyranoside
Peak:m/z	Relative Intensity
53.03952	0.2
53.87560	0.2
57.03438	1.9
57.08400	0.2
60.36936	0.2
60.60332	0.2
61.02911	0.3
69.03082	0.3
69.03430	2.0
71.04995	0.2
71.08990	0.4
71.09344	0.4
73.02917	3.7
79.05490	0.3
81.03411	0.4
81.07063	0.3
83.99857	0.2
84.08102	0.2
85.02898	0.9
91.05463	0.7
95.04985	0.3
97.02894	2.1
99.04481	0.3
103.05444	0.3
105.07030	0.3
107.04950	0.3
108.23296	0.2
109.02825	0.4
115.03942	1.8
117.03384	0.3
117.07059	0.2
127.03918	0.3
131.04955	0.2
137.05989	0.6
145.02850	0.5
147.04416	0.8
153.01810	0.8
159.08055	0.3
161.05913	0.4
161.09540	0.3
163.03856	0.4
163.07562	0.3
167.07042	0.3
173.02359	1.3
175.03963	0.5
181.08592	0.6
185.02365	0.4
189.09113	0.5
191.03403	0.6
201.01820	3.4
203.03398	0.8
207.02864	0.3
207.10075	0.3
213.01799	0.8
217.01419	0.4
219.02896	0.7
229.01303	4.1
231.02875	1.4
241.01215	0.5
247.02391	4.5
257.00787	11.6
259.02448	1.5
271.70801	0.2
273.07715	0.2
275.01837	10.4
285.00299	10.1
286.00970	0.3
303.01331	100.0
304.01630	1.9
344.03607	0.3
435.05515	0.7
435.17599	0.4
458.01678	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	26.2
58.36288	10.4
59.04985	48.6
69.27581	32.2
69.27999	100.0
79.05478	25.7
85.06544	85.4
91.05463	34.2
93.07023	25.2
95.04944	13.5
95.08612	24.2
105.07009	34.0
107.08596	28.0
119.08586	59.5
121.10172	14.9
125.09656	14.7
129.07010	13.0
131.08606	21.4
133.10133	20.0
133.88432	11.7
137.09618	30.4
142.07755	13.3
143.08559	16.8
145.10126	23.2
151.11186	26.4
155.08546	13.8
157.10133	18.8
159.11737	19.5
169.10146	12.8
171.11722	10.4
182.10995	11.3
195.11665	13.3
197.13081	12.1
248.45270	13.1
433.30673	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	433.3315
Annotation	3beta,5beta-Ketotriol
Peak:m/z	Relative Intensity
52.05957	4.8
55.05496	22.1
57.07078	6.6
57.43974	5.8
67.05499	33.2
69.07075	37.2
71.58010	7.3
71.58377	5.9
77.80181	5.0
79.05486	25.2
81.07056	73.0
83.08582	11.2
85.06562	7.9
91.05476	28.2
91.27913	5.0
93.07050	63.3
95.04990	6.1
95.08051	9.4
95.08607	93.7
97.10178	6.0
99.04410	11.2
105.07026	54.2
107.08596	100.0
109.06489	11.0
109.10168	58.7
117.06993	12.5
119.08583	81.1
121.10145	65.7
123.08059	14.8
123.11719	31.5
130.69656	5.3
131.08540	13.6
133.10132	65.5
135.08055	10.9
135.11713	61.3
137.09602	10.9
137.13228	6.9
143.08533	7.3
145.10104	40.6
147.11697	52.4
149.09625	11.7
149.13277	26.0
151.11183	19.6
151.25584	5.4
157.10149	12.8
159.11684	34.9
161.13289	28.8
163.11205	9.4
163.14812	23.7
171.11659	8.5
173.13220	18.4
175.14806	19.4
177.12767	14.2
177.16348	15.5
179.14297	12.1
179.41359	5.5
183.11714	7.5
185.13371	7.4
187.11189	6.6
187.14813	24.0
189.16351	61.3
191.14340	5.6
193.12259	9.5
194.28218	5.8
201.16357	30.8
207.17451	37.6
207.51953	6.5
213.16498	7.5
215.17932	31.5
221.15387	12.0
229.19510	19.7
233.18999	11.5
235.16794	8.0
243.20978	7.1
275.19897	6.8
397.31073	84.7
415.27979	10.9
415.32559	8.6
433.32590	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	433.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24523	6.7
55.05497	30.4
59.05007	58.5
65.78990	7.5
67.05506	10.1
71.05147	19.0
79.05470	22.1
79.47133	6.8
81.07060	18.2
85.06071	9.7
85.06544	100.0
87.71900	6.7
91.05471	36.3
93.07031	25.1
95.04958	12.9
95.08578	17.6
98.20709	6.5
105.07016	28.3
107.08576	28.8
108.40418	7.0
109.06482	10.9
109.10134	17.6
111.08061	15.4
117.07011	12.5
117.70818	7.5
119.08556	74.0
121.10105	26.5
123.08056	12.8
123.11778	9.7
125.09612	22.6
125.30139	8.3
128.06212	7.3
131.08553	18.2
133.10091	16.4
135.11633	8.7
137.09642	20.5
142.07718	13.2
143.08525	16.4
145.10132	30.1
147.11740	10.4
148.82477	7.5
151.11169	21.7
152.12410	8.2
155.08569	9.1
156.09305	9.6
157.10117	30.1
159.11600	12.6
169.10060	19.2
171.11644	17.1
173.09555	8.3
173.13306	8.9
183.11729	18.0
186.46574	7.6
195.11710	13.2
203.25275	7.2
209.13243	15.2
221.13263	12.1
275.69180	7.7
359.99112	7.5
396.13046	7.8
433.30988	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	433.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.4
55.01871	10.7
55.05263	2.2
55.05512	33.3
57.03436	8.2
59.04988	1.4
61.18667	1.4
65.03931	3.2
67.05505	39.9
69.03435	6.5
69.07065	11.2
71.04984	4.0
71.19302	1.3
71.32185	2.7
79.05492	49.1
80.17755	1.3
81.03419	8.2
81.07059	35.6
83.04984	4.8
83.08625	17.1
85.06530	4.6
91.05482	44.0
93.07044	31.4
95.04365	2.4
95.04961	32.3
95.08612	19.1
97.06513	3.1
97.10172	23.9
103.05458	5.5
105.04514	1.7
105.07027	31.0
107.04951	17.4
107.08595	24.7
109.02868	2.5
109.06507	6.6
109.10164	8.4
111.04436	2.5
111.08087	4.4
115.05439	3.0
117.07027	18.6
119.04955	5.2
119.08573	13.9
121.06503	21.3
121.10134	18.9
123.04433	1.3
123.08089	7.2
125.09634	18.7
128.06187	8.5
129.05531	2.6
129.07007	27.7
129.79546	1.3
130.07791	2.0
131.04926	11.9
131.08563	31.2
133.06471	9.9
133.10127	11.1
135.08049	8.8
135.11668	3.8
137.05988	3.3
137.09633	2.1
141.06970	11.5
143.08557	13.6
145.06485	22.0
145.10109	15.0
147.04390	2.0
147.08052	10.6
147.11673	5.9
149.05963	2.2
149.09618	20.4
149.13248	2.6
153.07004	2.5
153.09145	1.6
154.07785	4.9
155.08577	10.2
156.09343	2.0
157.06511	4.1
157.10133	7.2
159.08066	11.1
159.11662	8.8
161.09647	4.7
161.13300	5.0
163.11182	6.4
165.06978	2.0
167.08586	5.7
169.10117	12.0
171.08107	6.5
171.11682	19.9
173.09663	6.8
173.13211	3.2
175.11208	3.7
177.12764	2.9
179.08525	2.3
181.10117	5.4
183.08057	3.8
183.11665	5.3
185.09590	5.8
185.13263	4.9
187.11156	10.7
189.09129	3.7
189.11189	11.2
189.12770	14.0
191.10672	2.0
193.10205	3.4
193.12219	1.7
195.11693	5.7
197.09654	5.1
199.11198	2.9
201.12788	4.0
203.10654	3.9
203.14285	2.5
205.12244	4.5
209.13210	2.5
211.11185	9.2
213.12730	3.9
215.10777	2.3
221.13387	2.6
223.13152	6.8
225.12724	4.5
225.16406	1.8
227.12767	5.8
229.12212	5.8
231.13866	3.4
239.14288	2.8
243.13834	5.8
247.13258	1.9
257.15280	4.6
261.14990	2.0
262.09613	1.3
267.15955	3.8
273.14963	2.4
277.19492	1.7
295.20688	4.1
305.19022	4.0
313.21655	5.2
321.16992	1.7
323.20029	24.0
341.21112	100.0
342.21521	1.9
359.22256	7.7
377.23071	3.6
388.67093	1.4
397.23529	3.1
415.24695	32.5
433.25818	48.1
434.26508	1.5
458.32669	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.2
55.01868	10.3
55.05512	36.3
57.03420	9.2
65.03924	3.3
66.12324	1.6
66.27546	1.8
66.88591	1.8
67.05502	38.7
69.03428	7.5
69.06769	1.7
69.07073	15.1
69.94752	4.6
69.95162	7.0
71.04982	4.7
76.04828	1.6
77.03928	3.5
79.05488	47.2
81.03417	10.8
81.07054	39.7
83.04980	6.9
83.08618	16.9
85.02908	2.8
85.06529	2.5
91.05473	43.0
93.07037	41.1
95.04965	39.2
95.08605	18.9
97.06514	5.3
97.10172	23.2
99.04436	3.8
103.05441	3.0
105.07024	37.5
107.04961	16.5
107.08595	24.5
109.06517	7.5
109.10152	9.6
111.04456	3.0
111.08086	5.3
115.05457	4.5
117.07014	24.3
119.04966	4.8
119.08570	17.5
121.06489	21.3
121.10129	16.4
121.22069	1.8
123.08075	8.2
123.11756	2.2
125.09620	15.5
128.06259	4.6
129.05499	4.8
129.07004	27.3
131.04915	13.0
131.08562	32.5
133.06471	7.7
133.10104	10.7
135.08026	12.2
135.11769	3.0
137.05994	5.6
137.09622	2.9
137.88763	1.8
141.07004	13.4
143.08572	17.5
145.06490	24.3
145.10117	17.8
146.03580	2.4
147.08034	10.4
147.11664	3.6
149.09621	24.5
151.03976	2.0
153.09035	2.3
154.07765	3.9
155.08568	9.5
157.06569	3.3
157.10098	9.3
159.08090	7.4
159.11652	10.7
161.06033	2.8
161.09608	6.1
161.13272	3.7
163.11128	4.3
167.08627	4.3
169.06390	2.1
169.10141	13.2
171.08054	5.0
171.11699	19.0
173.09579	7.9
175.11163	4.2
177.12718	2.2
179.08533	2.4
180.09305	2.2
181.04984	4.7
181.10143	8.4
183.11688	9.0
185.09601	5.3
185.13261	3.8
187.11188	12.4
189.09097	4.1
189.11183	12.7
189.12793	13.1
193.10216	3.6
193.12225	2.6
195.11697	5.0
197.09712	3.1
197.13300	4.4
199.11198	6.6
201.12801	3.9
205.10454	2.4
205.12157	9.1
209.13159	1.9
211.11185	6.4
211.14827	2.5
213.12805	4.3
215.10648	3.9
215.14281	2.5
217.12199	2.0
221.13402	2.2
223.13068	4.1
225.12862	2.4
227.12694	4.8
229.12259	3.4
239.14375	3.5
243.13745	4.8
257.15405	4.4
261.14819	2.4
267.15826	4.2
273.14917	2.0
295.20544	3.3
301.57901	1.9
305.18878	3.0
313.21701	6.3
323.20038	23.2
341.21085	100.0
359.22083	7.4
389.23212	2.1
397.23694	3.6
415.24628	35.5
415.29147	1.9
428.78464	2.0
433.25665	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	1.4
53.03945	4.6
55.01872	10.1
55.05270	2.2
55.05512	36.1
57.03437	8.0
57.07069	2.1
63.50203	1.5
65.03950	2.5
67.05504	41.8
69.03435	9.7
69.07056	18.7
69.66706	10.8
71.04977	6.0
73.02914	1.8
79.05491	52.9
81.03420	10.8
81.07056	43.3
83.04974	6.5
83.08617	17.6
84.08141	1.5
85.02902	5.4
85.06547	3.3
87.04436	1.9
91.04903	2.4
91.05477	50.4
93.07045	38.7
95.04969	35.7
95.08031	2.7
95.08599	21.6
97.02879	2.9
97.06533	4.7
97.10168	20.9
98.20815	2.8
99.04472	2.6
99.08120	1.6
103.05495	4.1
105.03371	1.7
105.07034	40.7
107.04962	18.6
107.08591	27.0
109.02896	2.6
109.06538	8.0
109.10163	11.5
111.08076	4.8
115.05475	4.6
117.07014	20.1
119.04953	3.0
119.08581	18.6
121.06513	20.0
121.10152	19.6
123.04424	1.8
123.08074	9.0
123.11704	2.8
124.42138	1.3
125.09621	20.2
127.03908	2.2
128.06189	7.1
129.05498	3.3
129.06990	27.0
130.07774	2.1
131.04919	12.6
131.08556	32.2
133.06500	13.7
133.10138	9.6
135.04382	3.5
135.08089	10.5
135.11708	4.8
137.05952	8.8
137.09573	1.6
141.06992	10.4
142.07825	3.2
143.08568	17.3
145.06477	24.4
145.10115	15.6
147.04428	2.9
147.08052	11.1
147.11682	5.4
149.05948	2.2
149.09607	19.0
151.03835	1.7
151.11194	3.4
153.01849	4.1
153.06978	4.2
153.09106	1.9
154.07761	2.5
155.08548	8.5
157.06535	5.0
157.10097	11.3
158.07407	1.6
159.08037	10.7
159.11667	9.2
161.05959	4.8
161.09615	6.5
161.13229	4.6
163.11145	7.1
165.07004	3.2
167.07083	3.9
167.08551	7.5
168.09358	2.2
169.06477	2.3
169.10127	12.4
171.08081	4.2
171.11678	19.1
173.05977	2.1
173.09625	8.2
173.13281	2.5
175.11214	5.2
175.14828	2.3
177.09131	1.6
177.12778	3.2
179.08546	2.9
181.04958	8.7
181.06313	1.7
181.10101	4.4
183.08083	2.2
183.11688	7.2
185.09665	5.0
185.13214	4.6
187.11145	10.7
189.09084	4.0
189.11221	10.2
189.12758	13.6
191.10645	2.8
193.12250	2.7
195.11703	5.1
197.09657	4.5
197.13312	4.2
199.11234	4.9
201.12752	3.9
203.10788	2.4
203.14432	3.0
205.10414	1.5
205.12303	7.3
207.06500	1.7
207.11736	2.7
209.13300	2.5
211.11136	8.0
213.12767	4.4
215.10619	4.1
217.12234	2.1
221.07916	1.8
221.13419	1.7
223.13356	4.9
225.12700	4.8
227.10713	1.9
227.12605	3.0
227.14488	2.8
229.12288	6.3
231.13895	2.4
239.14270	2.2
243.13826	6.6
245.13705	2.1
249.14838	4.2
257.15457	3.7
267.15967	3.6
271.05936	1.8
273.14755	2.4
295.09555	1.6
295.20676	3.9
299.19757	1.9
313.21573	7.7
323.20004	24.8
323.23468	2.3
337.49905	1.6
341.21109	100.0
342.21613	3.1
359.22168	9.3
397.24036	1.9
397.30878	1.6
403.13898	2.4
415.24680	25.1
433.25842	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2349
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
51.64603	3.5
55.05496	15.6
57.03422	14.1
57.07049	5.2
64.27560	4.5
67.05502	73.2
69.07066	23.1
71.20132	6.5
71.20451	5.0
79.05124	4.4
79.05497	42.4
81.07056	93.2
83.04955	4.0
83.08609	8.6
91.05473	28.9
93.07044	59.2
95.04936	6.4
95.08612	64.6
97.06543	5.1
97.10140	6.0
98.97866	6.4
98.98469	100.0
105.07030	23.1
107.08579	42.9
109.06557	4.1
109.10156	31.8
109.66206	4.8
116.99448	3.9
117.07021	4.9
117.29079	4.0
119.08602	21.0
121.10130	30.7
123.11717	13.6
131.08565	19.3
133.10103	18.4
135.08057	5.9
135.11691	18.7
137.13220	4.2
145.10126	18.8
147.11665	8.3
149.13274	17.6
155.01036	9.6
157.10075	4.2
159.11722	11.9
161.13268	7.2
163.14922	8.9
171.11674	6.9
173.02126	15.4
173.13272	14.0
175.14842	5.2
177.12830	4.2
177.16428	4.9
187.14891	7.1
243.21117	14.0
261.22131	42.0
271.06018	13.2
275.02524	3.8
317.24780	9.4
335.25775	79.4
433.30161	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	433.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00116	3.4
53.03941	16.9
55.01869	33.0
55.05507	31.3
57.03432	11.2
57.07067	2.8
65.03928	12.4
67.05501	47.6
69.03429	35.9
69.07056	11.9
71.01334	3.5
71.04980	26.2
71.58093	4.4
73.02921	4.9
77.03954	3.7
79.05495	95.4
81.03411	35.5
81.04137	3.1
81.07057	47.2
83.04961	10.6
83.08611	16.8
85.02904	49.5
85.06535	11.1
91.05479	100.0
93.06474	5.9
93.07040	84.2
95.04967	56.9
95.08616	23.4
97.02877	8.8
97.06502	11.5
97.10171	10.7
99.04455	5.2
99.08088	6.6
103.05460	9.5
104.48675	3.2
105.04500	5.7
105.07023	55.0
107.04961	24.7
107.08597	25.4
109.02876	11.5
109.06522	10.7
109.10168	9.9
111.04465	5.9
111.08088	25.6
111.38725	2.7
115.05459	7.9
116.06230	3.8
117.07015	25.1
119.04967	3.1
119.08558	25.3
121.06504	34.8
121.10157	14.7
123.04444	4.7
123.08072	10.2
125.05979	4.0
125.09603	5.4
127.03912	18.4
128.06227	12.7
129.06996	25.1
130.07776	6.3
131.04909	11.0
131.08559	35.4
133.06476	13.1
133.10161	16.5
133.67918	3.7
134.65073	3.1
135.08072	16.1
135.11687	4.8
137.05975	16.7
139.07541	46.5
141.06950	18.6
142.07747	6.5
143.08557	18.5
145.06479	17.4
145.10152	22.8
147.08040	12.3
147.11638	9.7
149.09615	23.0
151.07513	4.7
151.11107	3.9
153.01799	7.3
153.06982	5.2
155.08546	16.5
157.06418	5.6
157.10147	15.9
159.08063	12.2
159.11678	12.4
161.05986	7.3
161.09622	9.4
163.07495	6.1
163.11223	9.4
165.07004	7.2
167.07027	9.6
167.08604	12.1
169.10127	23.6
171.08128	3.4
171.11702	16.4
173.09596	14.7
175.07559	5.1
175.11185	7.1
180.09232	3.6
181.05023	5.1
181.10118	13.4
183.08138	4.2
183.11682	12.9
185.09659	9.2
185.13214	5.0
187.11139	9.3
189.09145	3.8
189.11188	6.0
189.12759	5.8
191.08615	4.2
192.09253	3.7
193.10132	5.8
195.08109	6.1
195.11678	10.0
197.09605	6.9
197.13193	5.6
199.11133	8.0
203.10637	4.4
205.12160	5.5
207.11743	4.7
209.13280	7.1
211.11169	8.1
213.12874	4.3
213.16312	3.6
215.10674	6.3
217.12288	3.8
223.11186	4.2
225.12837	5.6
225.16405	4.0
229.12253	3.7
229.15901	5.5
231.13939	3.5
233.11633	4.0
235.00653	3.8
235.14873	3.8
243.13686	4.2
253.15985	5.8
255.17461	4.7
259.13211	3.5
271.16968	9.1
277.08521	3.5
277.14401	5.9
313.17892	5.8
323.20105	10.3
341.21094	29.2
359.22205	7.5
415.20621	7.1
415.25281	5.4
433.21295	31.4
437.94781	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	433.222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	3.8
53.03931	18.4
55.01871	30.3
55.05507	28.0
56.96542	6.3
57.03437	5.9
57.07068	5.4
65.03938	11.7
67.05499	52.1
69.03424	38.1
69.07066	25.9
71.04987	23.4
71.31883	5.1
73.02916	3.9
75.87708	2.8
79.05489	87.2
81.03416	30.9
81.07049	54.2
83.04980	14.4
83.08598	16.2
84.34586	3.1
85.02903	52.6
85.06528	13.9
87.04484	5.7
91.05476	95.6
92.08207	3.3
93.03385	3.6
93.07040	100.0
93.07627	5.0
95.01373	3.5
95.04967	49.4
95.08581	23.9
97.02885	7.9
97.06525	11.0
97.10184	6.6
99.04428	5.1
99.08091	6.7
103.05486	9.8
105.04508	7.4
105.07023	57.4
107.04921	21.2
107.08595	26.6
109.02866	15.1
109.06503	15.1
109.10166	18.6
111.04447	4.4
111.08064	19.1
115.05441	9.5
117.07011	22.2
119.05013	5.9
119.08567	27.8
121.06487	40.5
121.10129	16.4
123.04433	6.8
123.08082	12.0
123.11689	9.3
125.09630	8.9
127.03915	16.9
128.06192	14.8
129.06995	29.6
130.07806	5.8
131.04922	10.3
131.08543	24.3
133.06497	12.0
133.10120	14.8
135.04388	4.2
135.08067	13.3
135.11693	9.5
137.05956	26.8
137.09631	6.2
139.07532	50.9
141.06993	14.1
142.07779	9.4
143.08549	22.0
145.06456	16.0
145.10101	23.7
147.08060	12.6
147.11705	7.6
149.05997	5.8
149.09618	14.4
151.07521	3.7
151.11143	5.8
153.01849	16.6
153.06975	5.7
153.09091	3.9
154.07794	5.5
155.08530	21.2
157.06491	6.3
157.10117	18.1
159.08061	11.6
159.11699	11.5
161.06026	7.4
161.09631	11.5
161.13312	5.3
163.07503	4.7
163.11192	10.1
164.07092	7.9
165.06921	8.0
165.09152	3.9
166.07776	4.3
167.07071	10.1
167.08597	12.3
168.09300	4.9
169.10109	16.9
170.16182	3.1
171.08086	5.8
171.11664	16.7
173.09602	12.7
173.13263	5.3
175.07571	4.4
175.11180	7.3
177.09210	7.0
178.07704	4.5
179.08577	5.3
181.04935	17.0
181.10176	9.8
183.08124	6.8
183.11707	8.7
185.09663	6.7
185.13280	6.3
187.11252	5.3
189.12796	6.4
191.10693	4.4
193.10123	5.9
193.12164	3.0
195.11746	7.1
197.09650	4.4
197.13303	3.9
201.09142	3.4
201.12697	6.0
205.12230	4.9
207.06526	3.3
211.14822	3.7
213.16318	5.2
215.10831	3.5
221.09793	3.9
223.11188	4.0
225.12772	4.6
229.12163	4.1
231.13892	3.5
235.14864	5.0
237.16447	4.2
245.13263	3.7
253.15971	5.8
255.17513	4.5
263.00687	4.0
264.44510	3.3
271.17020	8.5
277.08618	3.4
277.14340	4.8
289.18094	4.3
309.11197	4.4
313.17896	6.7
341.21170	13.4
359.22211	5.5
373.08389	5.1
397.19849	4.7
402.54990	4.0
415.21155	10.6
433.22998	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
50.26347	0.9
57.03420	4.0
68.99799	1.2
69.26567	7.8
69.26992	3.4
71.04998	12.0
75.04475	6.7
85.02911	14.3
108.63273	0.9
109.02845	1.8
121.02867	3.6
124.75201	1.1
129.05492	1.7
129.41408	1.0
136.90311	1.2
137.02357	1.6
137.05873	1.3
143.54517	1.0
147.04295	1.3
148.86632	1.0
153.01851	5.6
164.07074	1.0
165.01860	2.3
183.02887	1.4
241.05116	1.2
250.70192	1.2
256.78229	1.1
287.05496	100.0
288.05811	3.6
344.22702	1.2
352.23639	1.0
364.75439	1.1
380.78030	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1128
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
52.26569	1.1
55.01862	1.2
55.05486	1.3
56.09249	1.0
57.03435	10.7
69.03426	1.3
69.89147	6.4
71.04998	11.0
71.77892	1.0
72.17776	1.0
73.02918	5.2
75.04482	20.2
83.04957	1.3
85.02901	49.9
91.05471	1.3
107.04955	1.2
111.04444	3.0
121.02866	4.1
129.05499	4.1
137.02309	1.4
147.06509	2.4
153.01837	4.7
161.06009	1.2
165.01874	1.4
213.05502	1.4
285.10806	1.1
287.05493	100.0
288.05783	2.1
324.08722	1.2
329.06821	1.3
379.74344	1.3
397.09543	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	433.1702
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
53.03940	15.6
55.01877	16.8
67.05500	7.8
69.03417	18.1
69.62211	34.5
71.05009	9.8
73.02917	8.9
79.05500	54.4
80.60873	4.6
81.03411	29.4
81.07053	16.9
83.04987	6.0
85.02899	42.3
85.42611	5.4
88.41171	6.5
89.80128	5.3
91.05492	29.6
92.09267	5.2
93.07046	68.5
93.24977	5.1
93.61210	5.5
95.05002	27.5
95.08631	11.6
97.02890	18.1
97.06522	7.7
98.20787	6.6
99.04448	12.5
105.07041	14.4
107.04961	13.4
109.02872	22.8
111.08095	18.9
117.06998	9.2
121.02860	8.0
121.06480	20.8
127.03928	12.5
129.07001	6.2
131.04929	11.1
131.08546	8.2
133.04947	14.5
133.06468	5.3
135.08092	5.7
137.06012	18.5
139.07542	36.4
145.04955	7.7
147.11687	6.4
149.06024	11.1
151.07544	11.2
152.51048	6.1
153.01822	19.8
159.07991	6.8
163.07564	6.9
165.28098	5.6
167.07097	7.4
175.11232	6.4
177.09172	6.0
181.04958	5.7
187.05904	6.5
189.22574	6.3
201.09084	7.6
213.07422	7.6
243.11226	8.0
261.09546	6.3
264.98810	5.6
265.10687	21.7
271.10767	18.6
277.56720	6.2
283.11850	12.4
433.16736	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1128
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
55.05499	0.5
55.23066	0.4
57.03438	8.3
67.05491	0.8
68.99787	1.2
69.03413	0.6
69.07080	0.4
69.23228	0.3
71.04997	0.5
71.18665	0.8
71.19002	0.4
73.02917	2.8
74.02758	0.4
75.04479	24.5
79.05489	0.8
81.07051	0.9
83.04942	0.4
85.02914	1.8
91.05470	0.6
93.07048	0.7
95.08606	0.6
105.03375	0.4
105.06993	0.3
107.04938	0.7
109.02862	0.5
111.00794	0.6
111.04419	0.6
119.08591	0.6
121.02879	3.4
127.03854	0.4
131.04941	0.4
133.02843	0.7
133.10201	0.4
137.02307	1.0
137.05989	0.7
138.99048	0.4
145.10149	0.4
147.04366	1.1
153.01819	6.3
157.06435	0.6
161.05963	0.6
165.01845	2.5
166.15884	0.3
167.06940	0.5
181.04909	0.5
183.02916	1.2
185.06027	0.5
197.05992	0.4
203.86455	0.4
213.05434	1.7
220.10367	0.4
231.06529	0.7
241.05022	1.1
247.46152	0.4
254.69234	0.4
258.05261	1.6
269.04337	0.4
287.05499	100.0
288.05844	2.6
330.70078	0.4
346.59991	0.4
353.06741	0.4
451.92459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	Genistein 8-C-glucoside
Peak:m/z	Relative Intensity
53.03914	1.2
55.01878	2.6
55.05499	1.5
67.05499	3.0
68.99818	1.4
69.03426	3.1
69.07049	1.9
71.04057	2.5
71.04391	1.5
73.02901	1.4
79.05482	2.8
81.03415	3.2
81.07057	4.2
83.04974	1.8
85.02889	5.1
91.05483	4.0
93.07047	2.7
95.04951	1.5
95.08604	1.8
97.02888	2.3
97.06506	1.7
103.05413	1.5
103.67366	1.2
105.07027	4.7
107.04930	1.5
107.08606	1.3
109.02863	2.8
109.06490	2.2
112.20009	1.4
118.04118	1.2
119.04953	4.7
121.02848	13.2
121.06522	2.1
122.03640	2.2
123.04375	1.7
127.03876	1.9
131.04927	1.7
136.07553	2.2
137.05965	14.9
138.09087	1.3
141.01805	2.4
145.02859	3.7
146.03581	1.4
147.04417	1.3
149.02290	2.1
151.03879	2.0
153.01820	4.9
153.12750	1.4
160.27943	1.3
161.05972	9.3
163.03902	3.9
164.07014	4.5
165.01814	9.8
167.03383	3.3
177.01823	1.6
177.05603	1.3
181.04945	2.4
183.02907	6.9
184.05060	1.4
193.12286	1.6
195.02831	2.6
205.04974	2.3
213.05453	3.1
217.12204	1.4
223.30115	1.3
229.05037	1.9
234.06850	2.3
235.13234	2.3
243.06537	1.8
249.09102	1.8
255.06541	4.7
256.07278	3.6
261.04016	1.9
261.09433	1.8
267.06549	5.7
270.05087	2.3
271.06082	7.1
271.10541	1.2
272.10300	1.5
277.08551	4.7
279.06555	1.6
281.08066	7.8
283.06000	100.0
284.06750	19.3
294.05075	1.5
295.06134	11.6
295.09381	2.5
297.07516	9.8
305.08139	2.6
307.06244	2.1
308.06833	3.1
309.07523	15.7
309.11288	2.8
311.05450	1.8
313.07043	80.6
314.07349	3.5
321.07599	2.9
323.09113	16.2
325.07187	3.5
333.07639	3.4
337.07016	31.1
343.08258	3.7
349.07108	9.0
351.08569	5.1
361.06946	6.1
367.08136	18.5
369.10599	1.5
373.14328	1.9
379.08081	18.8
394.63165	1.3
397.09180	26.4
401.13821	6.2
415.10275	22.4
433.11139	22.0
433.16672	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
55.01855	3.3
55.05507	7.6
56.05030	27.9
57.03431	4.1
58.06594	10.2
61.02913	7.5
67.05499	11.3
69.03423	22.2
69.07058	11.3
69.23626	19.4
70.06584	6.6
71.01353	1.7
71.04996	8.5
72.04514	4.1
73.02919	4.7
74.06077	3.4
79.05516	9.0
80.05039	1.9
81.03430	8.3
81.07069	13.1
82.06570	7.3
83.04991	3.4
83.08611	5.2
84.04478	2.0
84.08124	4.1
85.02423	3.0
85.02900	31.9
85.06516	2.8
86.06046	5.4
87.04453	2.9
91.05470	12.4
93.07044	20.6
94.06557	3.8
95.04959	6.6
95.07339	1.7
95.08605	25.3
96.08129	6.9
97.02895	12.4
97.06510	4.4
98.06037	5.9
98.09684	4.7
98.20718	3.8
98.21403	6.4
99.04449	15.9
103.05488	1.9
105.07034	22.3
107.08590	31.4
108.08121	13.9
109.02844	5.1
109.06512	6.5
109.10133	11.0
110.06036	5.5
110.09676	16.9
111.04421	3.4
111.08063	3.9
112.11279	1.8
114.05543	3.3
117.07006	5.3
119.08580	28.5
120.08131	1.9
121.02817	2.3
121.06477	3.3
121.10143	25.7
122.06019	2.5
122.09657	6.1
123.08067	5.5
123.11708	4.0
124.11237	3.1
126.05502	5.5
126.09129	2.0
127.03920	8.5
131.08585	11.5
133.10117	43.9
134.09642	4.7
135.08031	4.6
135.11665	12.1
136.11209	4.3
137.09621	8.5
138.09154	3.9
139.03912	5.3
140.07031	2.4
140.10709	2.6
143.08560	3.0
144.09299	2.2
145.04933	2.8
145.10126	6.3
146.09674	2.4
147.11688	8.8
148.11177	3.7
149.09666	2.2
149.13237	5.9
151.11147	1.7
153.01814	1.7
153.09116	4.1
157.04987	4.3
158.08142	2.5
159.11697	12.0
160.11256	3.3
161.09605	2.0
161.13280	7.4
162.12836	2.0
163.14850	4.3
168.06544	2.0
169.04901	1.9
173.13226	11.6
174.12758	3.5
175.14821	17.0
176.14410	3.3
178.12274	3.8
179.10663	3.4
186.07724	4.4
187.06020	2.4
189.12782	1.9
190.15967	4.9
191.14279	4.4
193.15976	2.9
194.15149	1.6
199.14862	1.9
204.08675	30.2
206.10112	2.0
208.17000	4.7
209.15446	3.6
216.17519	11.0
217.15883	4.0
222.09775	2.1
223.07314	2.2
223.10518	1.5
234.18527	39.1
235.09775	1.9
235.16994	6.2
236.20097	6.9
238.07892	2.4
252.19586	77.5
254.21146	4.0
270.08188	1.9
270.20621	71.8
333.64142	1.8
354.19144	2.0
391.18967	1.6
396.23868	7.3
402.07690	1.9
414.24847	100.0
432.25958	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1123
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
55.05499	0.6
57.73619	0.4
69.03433	0.8
69.40845	2.1
69.41270	1.7
72.08140	0.6
79.05479	1.0
79.99458	0.5
81.03408	0.6
81.07038	1.4
85.02897	1.0
91.05448	0.5
93.07053	0.7
105.07011	0.6
107.04938	1.1
107.08562	0.6
109.02834	0.7
109.06512	0.9
112.84522	0.5
121.02876	3.7
137.05977	4.6
145.06491	0.8
146.03609	0.5
147.11769	0.5
149.02333	0.6
158.99811	0.4
161.05994	2.1
164.07042	0.5
165.07062	0.4
173.05917	0.4
176.11249	0.4
181.04901	0.6
197.06001	1.3
215.06960	1.0
234.06805	0.9
243.06448	0.7
271.05997	100.0
272.06363	2.3
277.08624	1.3
309.11511	0.5
401.13824	1.0
433.11234	1.0
433.16455	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	432.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.01860	3.1
55.05505	7.2
56.05033	24.7
57.03431	3.2
58.06599	11.0
60.04541	2.0
61.02913	3.7
67.05492	9.3
69.03427	22.6
69.07066	12.1
69.61835	6.0
69.62273	6.0
70.06583	4.5
70.72762	1.6
71.04988	8.0
72.04516	3.7
73.02901	2.9
74.06061	3.6
79.05480	8.7
81.03411	10.2
81.07055	12.6
82.06572	8.0
83.04995	3.1
83.08627	4.6
84.04517	2.8
84.08128	4.1
85.02898	29.0
85.06556	3.0
85.19261	1.6
86.06072	3.2
86.09699	3.0
87.00834	1.6
87.04435	4.0
89.86925	1.5
91.05482	12.4
93.07030	16.9
94.06577	3.9
94.76385	1.6
95.04976	8.1
95.08599	22.3
96.04475	3.7
96.08142	8.1
97.02887	12.6
97.06522	2.4
98.06059	4.8
98.09689	3.7
99.04459	13.2
99.08138	1.9
102.05526	2.1
103.05497	4.9
105.07020	23.1
107.04938	3.0
107.08588	22.7
108.08122	14.1
109.02871	4.0
109.06509	10.4
109.10146	9.6
110.06029	5.9
110.09684	14.6
111.04451	3.7
111.08091	4.2
112.07655	2.8
113.09625	2.0
114.05559	5.5
115.07707	1.4
117.07011	3.2
119.08577	29.7
119.09365	2.7
120.08102	2.5
121.06486	4.4
121.08839	1.9
121.10143	23.5
122.06008	2.3
122.09703	5.2
123.08085	5.8
123.11718	4.5
125.09638	1.6
126.05522	5.6
127.03923	9.1
131.04895	2.1
131.08571	10.5
133.10124	34.1
134.10564	1.7
135.07996	3.6
135.11662	14.3
136.11241	4.2
137.09608	7.6
137.13272	1.8
138.09242	1.9
139.03943	5.2
139.11136	2.9
140.63570	1.8
143.08563	4.6
144.06566	1.7
145.05013	3.2
145.10133	6.1
147.11679	7.7
148.11168	2.5
149.05965	1.6
149.13292	3.6
150.12750	2.3
151.11243	2.5
153.01855	2.1
153.09119	2.5
157.04916	3.0
157.10126	2.1
158.10890	3.7
159.11661	9.2
160.11243	3.2
161.09612	1.9
161.13272	5.4
162.12581	1.9
163.11226	2.0
163.14784	3.2
164.14400	1.6
173.13223	9.3
174.12843	3.2
175.14795	14.0
176.14313	2.6
177.12836	1.9
178.12254	2.9
179.10689	2.8
186.07678	3.6
188.14412	1.7
190.15883	3.4
191.14351	5.9
192.09724	1.6
193.15891	5.0
204.08691	28.8
208.16882	2.1
214.39085	1.6
216.17506	9.7
217.15996	2.5
218.19176	2.2
234.18521	35.3
234.20804	2.1
235.16956	5.5
236.19991	7.3
252.19571	60.7
253.17805	2.5
270.20624	72.1
370.22183	1.9
396.23508	7.2
414.24854	100.0
415.25076	4.2
432.25958	67.0
433.26242	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	432.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46135	3.7
55.01856	4.5
55.05505	11.0
55.58676	3.5
56.05020	16.2
57.03431	3.9
58.06599	7.9
59.80334	3.6
61.02915	7.0
67.05496	12.9
69.03432	28.9
69.07056	15.2
70.06579	4.7
71.01357	4.9
71.04987	8.3
71.56900	6.2
73.02921	4.6
74.06062	6.3
76.27158	4.3
77.75294	3.7
79.05468	8.2
81.03412	15.6
81.07051	17.7
82.06565	5.7
83.08605	5.5
84.08165	4.6
85.02906	37.5
85.06534	4.7
86.06056	7.9
87.00811	5.8
87.04478	6.7
89.06033	15.5
91.05464	12.4
93.07040	24.5
95.04960	16.1
95.08603	21.9
96.08169	8.8
97.02886	19.2
97.06522	7.4
98.09716	4.6
99.04469	20.0
102.05581	4.0
103.05470	21.3
105.07022	19.5
107.04947	12.0
107.08584	24.9
108.08121	8.2
109.02895	10.8
109.06522	10.1
109.10164	22.4
110.06049	4.4
110.09689	9.8
111.08102	5.5
117.07012	5.0
119.08595	21.0
121.06498	10.5
121.10119	26.7
122.03596	4.1
122.09689	5.6
123.08036	6.2
123.11620	4.5
124.03973	5.2
124.11239	4.8
127.03914	23.1
130.08638	4.0
131.04919	15.4
131.08563	9.5
133.08586	11.3
133.10117	22.9
134.09595	5.5
135.08038	9.6
135.11688	13.0
136.44368	4.0
137.05978	21.5
137.09592	6.9
140.10687	5.3
145.04971	7.9
145.10081	5.4
147.11758	5.2
149.05951	8.2
153.01816	11.0
153.09164	9.2
159.11729	8.9
161.06007	9.6
163.14665	6.8
173.13297	8.3
175.14888	9.5
178.12169	5.1
179.10666	5.7
191.14319	11.2
204.08658	11.0
208.16879	4.1
209.15343	4.9
214.17903	3.9
216.17508	9.1
222.09758	8.9
234.18526	71.1
235.16927	9.6
252.19582	100.0
270.20627	20.5
277.08572	4.4
401.13800	7.4
414.24884	42.6
432.20306	3.4
432.25916	67.1
433.16541	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	432.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
53.50631	2.4
57.25962	2.5
60.04516	7.3
63.44677	2.5
67.05502	4.1
69.03419	7.7
70.06585	9.1
71.04978	2.5
71.57460	4.2
73.02917	3.2
79.05488	6.8
81.03384	6.6
83.04977	2.6
85.02895	12.8
86.06069	4.8
91.05479	9.3
93.07016	4.8
95.04923	4.6
103.05467	8.7
105.07018	7.0
107.04938	6.3
115.05414	3.2
117.06985	4.1
118.06563	6.6
119.04958	4.4
120.08086	9.7
121.02824	2.8
121.06515	14.4
123.04465	5.3
124.07587	4.8
127.03922	3.5
131.04916	7.8
133.02939	3.4
133.06459	6.5
135.04373	3.3
137.02365	3.6
137.05969	10.1
145.06487	5.8
146.06013	7.9
147.04466	4.6
147.06795	5.3
149.05984	15.4
150.87465	3.2
152.07059	2.6
153.01852	5.2
153.05519	3.1
159.04355	4.3
160.07532	3.6
161.05981	8.3
162.09195	3.9
163.03993	4.1
164.04596	4.3
165.05511	2.9
167.07048	100.0
173.06010	3.1
175.07587	5.1
176.07133	4.4
177.05482	38.7
183.06522	13.0
190.08604	12.8
192.07933	5.1
193.08578	8.0
195.08887	7.8
197.08060	5.1
202.46071	2.9
203.07080	3.3
205.07306	2.9
208.09644	4.5
209.08069	35.7
210.11252	32.9
220.09735	9.4
222.11165	13.1
227.09128	31.7
234.11221	5.9
235.09601	3.4
238.10669	10.7
252.12308	26.0
253.10649	19.6
270.13370	25.8
271.05963	6.9
286.97925	3.3
318.38889	3.1
372.86661	2.5
383.07495	5.9
406.47482	2.7
414.12155	5.2
432.18866	8.3
433.16843	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	431.0972
Annotation	3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone
Peak:m/z	Relative Intensity
51.05261	1.3
53.03946	1.7
55.01860	1.9
55.05508	3.7
57.07077	1.6
61.33084	1.3
61.47552	1.2
67.05508	7.8
68.99796	1.3
69.03416	4.1
69.07060	3.8
69.40593	11.1
71.04976	3.2
73.02920	9.8
79.05487	5.3
81.03400	3.0
81.07059	10.9
83.04951	1.5
85.02899	5.0
85.06551	2.5
87.04492	2.2
88.71869	1.4
91.05474	5.5
93.07029	6.7
95.04934	4.3
95.08591	5.2
97.02918	1.8
97.06545	10.5
99.04437	1.8
105.07025	5.9
107.05018	1.8
107.08588	4.6
109.02877	4.1
109.06536	3.0
109.10138	3.3
117.07038	1.5
119.08542	3.1
121.02872	4.3
121.10124	4.0
123.11671	2.3
129.07066	1.5
129.80147	1.3
133.06474	2.4
133.10167	4.0
136.07585	10.2
139.11166	1.3
141.06912	1.6
142.07664	2.0
145.10118	2.7
147.04417	1.8
149.09608	1.6
153.01830	6.6
153.05466	1.6
156.72749	1.5
159.11673	2.2
163.11176	1.9
164.07053	9.8
165.01830	1.8
165.07042	1.9
167.07071	3.4
171.07927	1.7
179.08611	1.6
197.13048	1.5
199.03955	4.0
201.05592	1.6
203.03365	2.7
209.13217	1.7
225.01865	1.8
227.03445	3.1
229.05066	3.2
241.04875	2.9
243.02969	2.0
247.02287	2.0
248.90222	1.4
255.02979	1.8
257.00833	1.5
259.02274	2.4
263.07022	1.5
265.36301	1.5
269.08041	3.9
271.02411	12.5
275.01794	2.4
275.77585	1.8
279.06528	1.6
281.04367	2.5
283.02374	98.1
284.02924	8.8
287.02213	5.0
287.05463	80.3
296.03119	1.8
297.03857	5.6
297.07535	5.1
299.01843	17.9
299.05508	18.8
300.02209	2.5
301.03445	4.0
303.01266	11.6
307.05850	2.4
309.04031	1.7
311.01852	4.5
311.05487	4.6
315.01376	3.1
323.05301	1.5
325.03488	3.0
325.07019	31.5
327.04984	100.0
328.05325	4.3
329.02951	4.6
335.05438	2.0
343.07977	4.6
353.06595	13.0
371.07614	34.4
385.08932	3.0
399.07077	9.8
413.08514	4.7
431.09586	5.8
431.26343	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.7
54.03043	2.7
55.01871	13.5
55.05519	17.7
57.03443	28.5
57.07074	4.3
61.02926	48.3
67.05173	4.6
67.05502	68.9
69.03429	34.2
69.07067	26.3
69.49443	24.3
71.04987	14.1
72.07235	3.1
73.02922	22.1
79.05498	37.6
81.03429	35.1
81.06586	5.0
81.07052	100.0
82.07339	3.7
83.04970	14.9
83.08626	14.8
85.02904	62.6
85.06520	9.1
87.04461	4.7
91.03950	31.2
91.05458	34.6
93.07041	66.4
95.04947	8.4
95.08598	28.3
97.02888	43.4
97.06527	14.2
98.21579	3.2
98.30391	2.7
99.04453	9.2
99.08085	3.3
101.02354	11.0
103.03904	6.2
105.07021	15.2
107.04943	6.4
107.08594	41.2
109.02869	16.3
109.06475	5.7
109.10136	8.6
111.04462	4.7
111.08059	10.8
115.03883	5.5
117.07022	10.0
119.08562	8.8
121.06435	3.1
121.10144	29.8
123.08098	3.7
123.11674	7.8
124.07545	4.5
125.05941	2.6
125.09632	3.2
127.03916	25.9
127.11277	3.2
129.05457	3.4
129.07036	3.3
131.08574	15.6
133.10110	13.0
135.08098	4.2
135.11711	15.6
136.07584	20.8
137.05974	5.1
137.13176	3.4
138.03432	2.9
141.42734	2.6
142.21974	2.7
143.08516	3.9
145.04950	6.4
145.10126	6.3
147.11702	4.6
149.09671	5.8
149.13255	75.9
152.07050	3.7
153.01791	4.5
153.05330	3.6
157.10100	6.8
159.11673	31.2
164.07039	22.3
165.05473	2.8
166.27499	3.0
171.11633	3.8
177.12767	16.1
183.06511	7.8
195.13802	46.0
201.07436	4.7
203.03377	3.1
228.15022	2.5
233.00606	2.8
259.02295	4.2
269.17471	80.8
270.17761	5.2
283.02322	9.1
287.02328	5.5
287.05447	19.7
297.17078	5.5
299.01828	11.4
301.03464	3.7
303.01459	22.2
311.01859	3.5
311.18610	3.7
315.01349	5.4
325.07025	4.7
327.04935	3.9
329.02866	3.9
343.07977	4.6
353.06436	13.4
371.07596	22.2
372.07813	3.7
413.21756	3.0
431.09616	10.8
431.22299	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	431.0973
Annotation	3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone
Peak:m/z	Relative Intensity
50.34832	1.1
53.03954	1.4
55.01871	5.4
55.05500	2.0
57.03421	1.2
65.03902	1.5
67.05483	4.5
68.99777	1.9
69.03417	2.5
69.07050	3.6
70.87175	2.7
71.04976	5.2
79.05495	5.4
81.03411	4.0
81.07070	6.3
85.02898	1.5
87.04466	4.4
91.05457	8.0
93.07027	4.7
93.07574	1.0
95.04948	2.8
95.08584	2.7
97.02892	1.1
97.06523	4.6
99.83377	1.2
103.05478	1.6
105.07027	3.4
107.04945	2.8
107.08562	3.0
109.02881	3.1
109.06502	1.9
109.10146	1.8
110.48743	1.0
117.07065	1.3
119.04910	2.9
119.08554	1.5
121.06492	1.4
121.10129	2.1
123.04414	1.2
125.05981	1.7
127.03901	1.2
129.07068	1.6
129.09140	4.1
131.04933	2.6
133.06474	1.8
133.07483	1.1
133.10120	1.8
135.08070	1.3
136.07550	9.5
137.05908	1.9
143.06976	1.3
145.10086	1.3
147.04411	5.2
149.13258	2.2
151.03877	2.4
152.07079	2.4
153.01779	1.4
155.08560	1.4
157.02869	2.1
157.10106	1.8
159.04366	1.3
159.11739	1.1
161.02394	1.3
163.03911	3.5
163.11157	1.5
164.07094	9.4
167.07108	1.5
169.45189	1.2
173.02341	1.8
175.03920	4.5
177.01836	5.4
183.04239	1.8
185.02333	2.6
187.03928	2.4
191.03380	2.5
193.01364	4.4
195.08063	1.8
199.03893	2.5
201.01840	5.0
203.03380	14.7
205.01334	8.5
207.02888	2.7
213.01834	3.2
215.03398	3.4
217.01488	2.0
219.02859	2.4
223.07526	3.1
227.03340	2.2
229.01332	4.5
231.02899	10.6
233.00819	4.8
233.04333	1.5
241.01321	4.9
243.02934	3.9
245.04544	1.9
247.02403	16.1
251.07098	2.8
255.02838	3.5
257.00864	8.8
259.02356	14.4
261.00311	5.2
269.08081	6.7
269.17566	1.7
271.02319	6.3
273.03915	3.4
275.01822	12.4
279.06421	2.9
283.02374	16.5
284.02966	1.3
285.00357	5.8
286.01022	4.8
287.01855	23.9
296.03021	1.6
297.03955	8.9
297.07639	7.8
299.01855	52.5
299.05157	1.7
300.02505	3.5
301.03436	12.9
303.01343	92.6
304.01526	1.9
307.05930	1.6
309.04089	1.9
311.01767	11.4
312.02744	1.3
313.03601	2.7
313.07120	3.7
315.01355	29.5
315.08594	1.8
324.02542	2.4
325.03436	7.2
325.07065	11.4
327.05023	1.3
329.02899	18.5
329.06522	2.6
337.03455	3.6
338.04260	1.8
341.06525	1.5
342.07477	1.5
343.08060	7.3
353.02228	2.4
353.06567	42.2
354.07010	1.8
371.07611	86.7
372.07941	3.3
385.09048	2.8
399.07095	10.4
431.09708	100.0
432.10126	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	430.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	18.1
58.01136	18.0
67.05482	39.5
69.03432	33.7
69.97518	73.0
79.05479	18.1
81.03418	29.7
81.51128	13.6
85.02906	52.7
85.06561	19.9
91.05450	26.7
93.07036	42.5
95.05003	17.4
95.08607	92.7
97.02883	34.5
105.07057	25.3
107.08565	25.2
108.08123	57.6
113.06010	18.2
119.08552	36.8
119.10715	35.3
121.10102	28.0
123.08067	53.3
127.03878	25.8
133.10085	32.6
135.11655	29.8
147.11671	23.4
148.48517	14.9
149.09589	28.8
161.13223	21.7
163.11169	18.9
176.10777	25.6
177.05519	19.2
185.47847	16.1
189.12819	40.7
200.73083	17.3
207.13783	100.0
231.99199	18.5
232.17012	30.5
250.17989	26.5
268.19113	24.8
358.73642	15.7
430.24203	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	430.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74880	7.5
53.03946	13.7
57.03420	9.3
59.04995	7.5
59.43254	8.4
61.02913	8.0
63.98321	7.4
67.05502	11.0
69.03416	35.0
69.07045	8.0
69.28698	94.4
78.03460	8.0
79.05476	21.3
81.03416	40.5
81.07062	14.2
81.41469	8.9
83.04954	18.7
83.98977	8.0
85.02892	30.4
91.05866	8.3
93.07033	22.2
95.04945	12.0
95.08600	9.4
97.02875	18.1
105.07027	25.3
106.02900	28.4
107.08611	13.1
109.02892	16.2
109.06506	9.0
119.08556	18.5
121.06470	14.4
121.10098	12.2
124.03952	49.9
127.03874	16.2
130.08652	15.9
136.07553	19.4
138.09024	9.4
145.10124	24.5
147.11682	30.4
147.82349	9.7
153.01819	8.8
158.90933	8.9
164.07077	32.2
166.08717	16.3
189.12740	100.0
199.30205	8.0
207.13820	21.9
211.18840	7.8
232.16890	9.2
250.07135	17.2
250.18100	24.2
268.08234	13.2
268.15543	8.7
268.19101	10.7
290.34344	9.9
412.23300	9.8
430.24982	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	431.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71743	2.1
56.96300	3.2
56.96562	43.9
59.08751	2.5
61.02911	4.1
69.03432	11.9
69.61317	17.1
74.97594	2.7
81.03410	7.4
82.03767	2.7
84.96035	12.2
85.02906	17.9
91.05774	7.1
97.02878	9.0
98.97580	62.9
102.97067	2.6
109.02869	3.9
110.97554	13.4
116.98615	62.6
116.99442	3.9
119.01901	9.0
120.98037	2.6
127.03910	4.9
128.98593	31.0
131.00150	5.9
131.01881	6.1
134.99660	59.5
136.06128	6.7
137.04556	4.2
139.04051	2.6
140.00159	3.2
143.00153	6.7
143.03371	4.9
144.98108	2.7
145.03500	3.4
145.04930	3.0
146.99652	37.0
149.01241	6.8
153.00772	6.2
153.01823	17.9
158.99634	8.1
159.05070	4.0
161.01210	30.6
161.02495	2.9
161.03122	2.6
162.99168	4.6
163.04005	5.1
165.00652	5.2
170.99629	6.9
171.05020	4.1
173.01350	2.2
173.02902	5.2
177.00708	27.9
177.06122	4.2
179.02267	12.9
182.99611	4.2
185.02913	2.8
187.00810	2.8
189.00681	12.4
189.02364	4.9
189.06021	4.1
189.33459	2.3
195.01682	4.9
201.00670	24.1
201.06117	2.7
203.02129	3.0
204.75005	2.2
207.01871	5.0
211.00902	5.5
213.00679	7.2
215.00401	6.1
217.16696	2.6
218.95979	2.5
219.01756	64.3
221.05083	6.2
226.98582	9.2
229.01909	6.6
236.47420	2.8
237.02803	100.0
241.51694	2.6
242.03540	3.9
244.99670	24.9
247.02986	15.3
255.03844	9.6
256.82101	2.6
260.04340	6.1
261.02817	13.2
261.08243	5.6
263.00748	44.7
269.11865	2.6
279.03976	18.7
279.09232	8.3
286.02280	3.1
287.00830	13.9
299.11621	3.2
302.05417	3.4
303.01407	2.9
305.01959	3.2
311.00964	3.7
315.01962	2.6
323.00668	9.0
329.01797	5.2
330.01428	2.5
341.01468	2.6
357.02698	3.3
371.02820	24.0
375.04153	4.6
389.03882	62.3
390.04156	2.4
412.05380	9.5
431.10205	10.4
431.15567	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	430.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	11.5
57.03432	15.5
59.48477	10.1
67.05498	19.6
69.03425	23.1
69.07058	20.5
70.01234	60.0
70.06589	100.0
71.04996	15.9
73.02901	20.3
74.66029	10.4
78.86692	10.4
81.03410	20.9
85.02895	74.6
85.06535	14.2
86.09709	60.9
91.05425	26.0
93.07017	22.8
95.04970	23.0
95.08588	69.9
97.02918	29.6
98.21384	13.2
107.08569	16.1
108.08096	32.6
109.02876	16.8
110.05975	13.1
111.04497	11.4
119.08575	28.2
119.10683	31.1
123.08047	36.5
127.03922	28.5
130.08611	33.2
131.08571	15.4
133.10068	15.7
135.11646	30.6
136.07529	11.2
147.11708	17.1
149.09644	31.8
153.01849	26.7
161.13376	13.7
176.10657	12.9
177.05431	15.3
185.27272	13.7
189.12711	20.0
207.13708	71.1
229.15442	15.8
232.16876	12.1
241.37424	10.8
250.17989	38.4
264.43021	12.1
268.19080	19.1
412.23367	15.6
430.17694	13.0
430.24664	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	430.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.2
55.01845	9.0
60.31236	6.4
61.02917	21.9
67.05499	13.0
69.03414	41.5
69.64749	51.5
71.68631	6.8
79.05490	37.8
81.03419	31.6
81.07052	14.8
83.04968	13.5
84.08125	8.7
85.02896	100.0
85.51607	6.5
86.06071	13.1
86.09696	12.5
87.81434	6.0
88.53555	6.5
91.05480	25.4
93.07055	33.8
95.04955	22.0
95.08606	15.4
97.02880	28.2
97.06513	13.0
99.04449	9.6
105.07022	32.1
107.08577	18.6
108.08112	7.5
109.02892	14.2
109.06492	22.9
109.10143	7.7
110.06026	28.5
111.04435	16.6
112.07608	9.4
113.54713	6.5
119.08574	21.2
121.06406	7.8
121.10151	37.4
122.09628	9.4
123.08041	15.0
123.11713	34.1
124.07549	8.8
124.32157	6.6
125.05946	8.7
127.03928	20.9
131.08575	12.2
133.06598	7.3
133.10120	9.6
134.09665	12.5
135.08029	9.4
137.09528	6.8
138.09132	8.3
139.07512	22.8
143.08519	9.6
145.10123	21.6
147.11694	14.6
148.11197	18.7
149.09595	24.8
150.09175	8.3
151.07494	8.6
155.10667	7.9
173.13239	7.4
174.12801	13.2
175.11127	13.1
176.07172	10.4
176.10709	16.9
185.04395	6.7
189.12639	12.2
191.14288	14.6
193.12241	19.1
198.32634	6.9
204.48073	6.5
206.10196	12.4
207.13783	19.0
218.08398	6.5
231.76674	7.3
232.16917	41.8
233.15375	18.1
250.18039	99.0
251.16331	14.2
268.18918	12.7
412.23361	37.9
430.24091	26.2
451.90704	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	429.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01581	1.4
53.03945	11.1
54.74663	1.4
55.01868	5.0
55.05513	15.1
57.03437	19.3
61.02929	3.6
65.03934	1.9
67.05505	17.7
69.03076	3.0
69.03432	39.4
69.07076	6.1
71.01355	1.8
71.04998	9.1
72.43430	1.8
73.02922	3.5
79.05494	16.5
81.03418	93.1
81.07058	24.1
82.03716	1.9
83.04986	24.3
83.08625	17.1
85.02424	2.5
85.02908	30.4
85.06571	3.4
87.03654	1.7
87.04467	1.7
91.03989	1.7
91.05434	20.0
93.07047	17.7
95.04972	23.0
95.08614	9.7
97.02895	57.2
97.06532	5.2
97.10186	4.8
99.04445	10.4
101.02381	2.0
103.89024	1.3
105.07030	16.9
107.04944	2.9
107.08611	11.8
109.02875	18.1
109.06522	5.1
109.10177	8.1
111.04448	10.3
111.08109	10.3
115.05470	1.6
117.07037	2.6
119.08582	15.0
121.06526	2.1
121.10146	11.7
123.08089	3.5
123.11729	2.8
125.06046	2.2
125.09632	3.5
127.03918	18.0
127.07537	1.5
129.05495	5.4
129.06998	8.0
131.08580	7.7
133.06480	2.7
133.10129	11.1
135.08096	1.9
135.11694	5.6
137.05981	2.2
137.09636	2.0
145.04883	1.6
145.10141	6.0
147.08141	3.3
147.11674	17.0
149.02348	6.1
149.09625	5.9
151.07582	3.5
151.11150	1.6
153.12711	2.3
155.08578	1.9
157.10121	11.2
159.11732	3.6
163.11174	3.6
165.09000	3.1
165.12787	2.6
167.05609	2.3
167.07120	2.0
175.11198	13.3
181.12265	4.2
191.10706	4.8
193.04958	4.0
193.12257	67.0
211.13293	100.0
212.13724	2.8
218.86516	1.6
227.12863	4.7
229.14389	2.7
249.14851	4.5
261.40527	1.4
262.12460	1.4
269.12549	8.2
270.12708	1.6
283.15604	1.9
285.17072	8.8
337.16376	2.0
348.15393	1.6
355.17471	7.2
359.02985	3.1
359.07822	1.6
429.11703	6.6
429.21173	40.0
430.11890	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3727
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05503	7.0
57.07063	19.1
57.24971	3.6
58.94384	3.7
67.05510	4.8
69.07058	11.3
69.53185	4.6
71.08622	15.9
73.04739	4.7
79.05492	5.1
81.07043	15.7
83.08626	5.2
85.10194	10.9
91.05790	14.1
93.07053	4.9
95.08617	19.9
105.07051	7.3
107.08605	9.2
109.10152	8.4
115.15575	4.8
119.08582	12.7
121.06487	6.6
123.11665	5.2
133.10121	4.5
135.08055	6.3
136.08763	6.7
137.09605	6.8
149.09628	15.3
163.11176	21.8
164.08377	6.5
165.09128	100.0
167.05545	10.3
173.13258	5.0
175.11235	9.3
177.09117	8.6
177.82475	3.7
185.34436	3.8
191.10683	12.5
201.12747	4.4
205.12276	6.8
229.15909	4.8
278.99097	4.6
401.79202	4.5
411.36185	9.3
429.31644	13.3
429.37201	47.1
430.37997	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	429.3727
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
51.03913	3.0
54.01169	3.0
55.64182	3.4
57.07060	13.5
69.07050	5.0
71.08626	10.2
71.18896	7.4
81.07069	6.0
85.10177	8.6
88.97539	3.5
91.05798	13.1
95.08599	9.4
105.06985	3.3
107.08588	8.4
109.10169	9.2
119.08599	3.8
135.08023	4.3
137.09605	9.1
149.09605	14.0
163.11174	23.0
165.09117	100.0
165.10513	5.2
167.05589	4.6
175.11160	6.0
177.09099	8.0
191.10654	11.1
205.12222	12.9
219.13757	6.0
261.18436	3.9
317.41995	4.0
359.02768	8.7
401.33914	4.8
429.31598	15.7
429.37247	33.6
430.38089	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	429.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.6
54.18252	0.9
55.01859	3.5
55.05505	17.1
57.03434	19.0
61.02921	2.2
65.03912	1.3
67.05167	1.6
67.05494	15.8
69.03425	39.0
69.07061	9.5
69.59631	4.1
69.60064	4.9
71.01352	1.4
71.04988	9.6
71.86443	1.1
73.02908	1.7
79.05489	15.8
81.03412	96.4
81.07047	26.6
83.01325	2.1
83.04973	24.3
83.08617	20.8
85.02896	27.9
85.06521	2.5
87.04469	1.9
91.05457	20.0
93.07037	13.6
95.04964	23.8
95.08595	18.3
97.02882	54.6
97.06518	3.6
97.10161	4.9
98.20842	2.0
99.04433	9.3
101.02333	1.3
105.07025	13.9
107.04939	4.6
107.08581	11.9
109.02872	15.5
109.06502	3.7
109.10134	9.5
111.04437	10.1
111.08064	11.1
113.05999	1.7
115.05480	1.3
117.06987	2.3
119.04976	1.3
119.08571	19.3
121.06487	2.4
121.10115	12.1
123.08038	3.3
123.11688	5.4
124.91010	1.0
125.09621	1.9
127.03913	13.5
129.05495	6.0
129.06990	9.1
131.08571	9.4
133.06558	2.4
133.10138	14.4
135.08098	2.4
135.11705	5.2
135.71758	1.1
137.09622	2.7
137.13249	1.2
142.07785	2.5
143.08563	1.9
145.04984	1.6
145.10112	7.3
147.08025	4.0
147.11664	20.0
148.11967	1.1
149.09590	5.2
149.13258	4.2
151.11145	2.2
153.12785	1.6
157.10104	12.3
159.11658	5.4
161.13246	3.4
163.11195	4.7
163.14743	1.7
164.44804	1.3
165.12735	4.3
171.11684	2.5
173.13281	1.9
175.11206	15.4
175.14799	1.9
177.12695	2.8
177.16400	1.2
181.12221	3.7
183.11697	1.3
185.13251	2.0
187.14771	1.9
189.16391	1.8
191.10670	4.4
193.12230	60.6
197.13202	1.3
199.14815	1.2
201.16354	2.0
203.14258	1.6
205.15862	1.8
209.11679	1.3
211.13264	100.0
212.13651	1.7
213.16273	1.6
227.12711	5.1
229.14348	3.5
249.14886	5.2
267.15930	2.0
269.42325	1.1
285.16962	7.3
313.16519	1.5
337.16431	2.1
355.17487	5.4
359.02725	1.1
383.29257	1.4
393.31421	2.5
411.20306	2.4
411.27917	1.3
411.32935	7.2
428.39029	1.0
429.21188	45.7
429.34122	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	429.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60728	1.4
51.60983	1.2
53.03942	12.4
55.01863	3.9
55.05505	15.0
57.03431	17.8
57.12418	1.3
61.15824	1.4
67.05508	17.9
69.03082	2.5
69.03426	35.8
69.07050	6.0
70.43414	6.3
71.04990	11.7
73.02904	2.4
76.21904	1.4
77.89609	1.5
79.05488	14.3
81.03413	94.4
81.07053	19.9
83.04977	26.0
83.08613	16.6
85.02910	24.4
85.06528	2.1
87.04456	1.7
87.54515	1.7
91.05446	16.5
93.07037	13.6
95.04961	21.1
95.08580	8.8
97.02885	52.3
97.06511	2.8
97.10141	4.6
99.04431	6.2
105.07028	18.4
107.04195	1.4
107.04932	4.1
107.08609	7.3
109.02866	13.7
109.06503	2.2
109.10138	4.8
111.04469	8.9
111.08050	9.8
113.00002	27.4
117.07030	3.2
119.08582	12.0
121.06488	1.6
121.10105	8.7
123.11691	3.0
127.03912	11.6
129.05453	5.8
129.06976	6.1
131.08545	9.1
133.06467	1.9
133.10139	7.6
135.11668	3.3
142.07780	2.3
145.04900	2.1
145.10072	2.9
147.11690	14.1
149.09590	5.7
149.13249	2.0
157.10132	11.1
159.11673	2.5
163.11098	1.9
165.12781	3.6
169.02608	23.9
175.11151	14.7
181.12143	3.6
187.54979	1.6
191.10616	2.7
193.10448	1.8
193.12233	59.1
211.13277	100.0
224.52780	1.5
227.12802	6.9
229.14371	4.1
243.21030	2.0
249.14861	4.7
261.22150	5.3
285.16956	7.0
303.25497	1.5
337.16434	1.8
351.18134	1.7
355.17477	6.0
411.19983	2.3
429.21146	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19361	1.0
52.55143	1.0
53.03944	11.3
55.01857	5.1
55.05510	16.5
57.03186	1.6
57.03436	20.6
61.02920	2.5
67.05498	16.0
69.03427	37.0
69.07067	6.3
71.01353	1.3
71.04993	8.2
73.02901	2.3
73.18069	1.1
79.05486	13.6
81.03413	88.9
81.07053	23.2
83.01324	1.6
83.04977	26.8
83.08623	20.1
85.02895	26.4
85.06542	2.2
87.04460	2.1
91.05444	16.2
93.07041	14.4
95.04960	21.2
95.08603	13.1
96.83078	1.0
97.02885	54.3
97.06520	3.6
97.10151	3.7
98.21602	2.2
99.04446	8.2
101.02357	1.8
105.07033	14.7
107.04944	3.6
107.08595	9.9
109.02861	14.6
109.06540	2.4
109.10159	6.1
111.04437	10.2
111.08080	11.8
117.06979	2.0
119.08579	16.7
121.06509	2.8
121.10130	10.8
123.08076	3.0
123.11696	4.1
125.09657	1.8
127.03922	15.6
129.05516	6.1
129.06979	5.8
131.08577	10.3
133.06519	2.1
133.10147	8.2
135.08034	2.7
135.11678	4.7
137.09612	1.6
142.07785	1.5
143.08600	1.4
145.10139	4.2
147.08018	3.1
147.11696	17.4
149.09625	5.3
149.13278	2.5
153.12689	1.8
157.10109	10.8
159.11618	1.9
161.13242	1.8
163.11189	3.1
165.12747	3.2
173.13287	1.3
175.11185	15.5
181.12225	4.6
183.06543	1.5
183.11588	1.3
185.13229	2.0
187.14853	1.2
191.10670	4.1
193.12241	71.5
194.12457	1.7
211.13281	100.0
212.13713	1.7
227.12740	7.0
229.14384	5.1
229.22563	1.2
249.14842	7.0
285.17087	6.8
337.16620	1.4
355.17529	5.9
397.33691	1.2
408.18890	1.2
411.20087	2.1
411.32907	2.3
429.21194	42.0
429.30417	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	429.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	12.9
55.01863	3.5
55.05505	15.5
57.03438	18.0
57.07055	1.2
65.03908	1.5
67.05502	16.3
69.03429	35.0
69.07066	6.8
70.26239	6.6
71.04992	10.6
73.02932	2.2
79.05492	14.1
79.16959	1.5
81.03416	85.3
81.07055	16.6
83.01337	2.6
83.04984	22.1
83.08627	21.6
85.02906	21.9
85.06532	3.0
87.04460	2.7
91.05437	15.0
93.07033	12.3
95.04971	21.1
95.08621	9.4
97.02888	56.8
97.06514	4.0
97.10163	3.6
99.04457	8.0
105.07035	14.9
107.04938	4.2
107.08585	8.3
109.02869	16.1
109.06508	3.2
109.10159	4.2
111.04447	9.2
111.08088	11.1
113.00010	7.3
117.07017	2.1
119.08570	15.6
121.06509	2.5
121.10137	9.2
123.11704	3.0
125.09606	2.1
127.03927	12.4
128.23570	1.6
129.05470	3.8
129.07010	5.5
131.08551	9.5
133.10088	7.6
135.11697	2.7
142.07742	1.7
145.10126	4.9
147.08102	1.6
147.11688	10.6
149.05975	1.8
149.09593	4.0
157.10103	12.3
159.11624	1.7
163.11223	4.3
165.12747	3.2
169.02611	7.9
175.11212	12.5
181.12216	3.5
187.14804	1.9
191.10696	3.5
193.12239	65.9
194.12550	2.1
206.89838	1.3
211.13283	100.0
212.13716	2.4
227.12733	6.3
229.14343	3.3
249.14937	5.5
285.16931	6.5
337.16440	1.7
355.17560	4.9
411.20294	1.8
429.21222	43.5
429.29980	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	10.3
56.96553	19.9
57.03439	14.0
69.03438	19.4
69.60519	34.1
69.60941	47.3
75.29659	9.9
76.80165	8.8
79.43385	8.8
85.02902	22.3
86.06053	24.4
91.05797	14.3
98.20797	12.5
98.97597	26.8
103.14758	11.7
109.02871	18.9
113.05335	8.9
116.98648	17.1
119.01919	14.3
127.03872	11.4
140.76117	9.6
146.99663	11.8
153.01860	43.4
163.03958	17.3
167.07028	17.4
185.02994	10.7
191.03645	10.8
237.02844	13.5
245.11420	22.0
258.06848	9.8
303.01474	27.3
312.48297	9.3
342.22357	9.5
429.07928	100.0
429.13440	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.6
55.01862	2.6
55.05515	11.2
57.03433	17.2
61.02914	1.1
67.05228	1.1
67.05507	12.4
69.03429	32.4
69.07050	5.4
70.83730	2.5
70.84097	2.7
71.04995	8.3
73.02918	2.3
76.68518	1.5
79.05493	10.4
81.03415	76.1
81.07059	15.4
83.01308	1.7
83.04981	20.9
83.08609	18.7
85.02903	21.8
85.06541	1.9
87.04464	2.0
91.05460	14.4
93.07027	9.6
95.04967	18.0
95.08597	7.1
97.02890	53.8
97.06522	3.1
97.10165	5.1
99.04452	9.9
99.08028	1.3
105.07014	11.7
107.04945	3.9
107.08616	7.1
107.09212	1.3
109.02874	13.0
109.06487	3.5
109.10180	4.1
110.34131	1.2
111.04436	7.4
111.08087	8.0
113.05984	1.4
119.08570	10.1
121.06459	1.8
121.10119	9.5
123.11720	2.7
125.09658	2.6
127.03916	16.6
127.22254	1.4
129.05469	7.0
129.07018	6.2
131.08553	6.8
133.06494	3.0
133.10132	3.9
135.11725	1.5
137.13249	1.7
142.07736	1.5
145.04947	2.1
145.10156	1.4
147.08081	2.0
147.11661	13.8
149.09605	5.1
153.12798	1.6
157.10107	11.7
163.11171	3.7
165.09172	1.2
165.12756	4.3
167.02139	1.1
167.05588	1.4
175.11191	14.3
181.12259	2.7
189.11256	1.3
191.10706	3.5
193.12241	57.6
210.49301	1.4
211.13280	100.0
219.03801	1.2
227.12791	4.1
229.14307	3.7
240.51651	1.3
249.14967	4.3
265.14532	2.1
283.15134	1.5
285.16968	6.1
306.71323	1.4
337.16544	2.4
355.17563	5.6
411.20346	1.8
429.21304	37.7
429.31854	48.9
430.21289	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	14.1
55.01873	6.2
55.85772	1.1
57.03428	2.0
67.05489	2.8
69.03432	9.4
70.06581	1.8
70.52174	4.2
71.04976	5.7
71.94794	1.2
73.04688	1.3
79.05511	3.0
81.02924	2.0
81.03413	38.3
81.07034	2.4
83.04960	3.7
85.02892	11.3
91.05776	8.0
93.07024	5.2
95.04966	2.8
95.08578	1.8
97.02888	10.6
97.96653	1.2
98.98463	1.3
99.04424	4.4
101.06002	2.9
105.07037	2.9
107.04936	1.7
109.02869	42.4
109.06509	1.8
111.04450	3.6
117.07009	1.4
119.08616	1.4
121.06493	2.1
121.10114	1.6
127.03922	32.5
129.05449	3.2
131.04877	1.3
138.09122	3.2
139.07542	1.5
143.08557	2.1
145.02802	2.5
147.04387	2.9
147.06570	1.2
147.11636	1.3
149.05983	1.3
149.09628	3.9
153.07005	2.3
157.10124	1.5
159.04398	2.0
163.03934	2.3
167.05539	2.9
168.38356	1.4
173.02356	2.3
175.03848	2.7
177.05490	5.6
179.95686	1.3
181.06425	2.8
187.03935	2.2
189.01808	3.2
191.03404	2.7
201.00293	1.4
201.01848	9.4
203.03394	4.3
209.05934	3.3
212.83867	1.4
213.05475	2.8
215.03323	1.6
217.01393	2.0
219.02869	2.0
229.01241	7.4
231.02933	4.0
231.13725	1.5
237.05431	5.2
241.01382	1.8
241.05077	2.3
247.02271	9.5
248.16849	1.3
249.14757	2.0
249.17265	1.4
253.04919	2.8
257.00806	14.9
259.02362	5.7
261.04007	3.3
265.04956	7.3
266.17484	1.4
273.00394	2.5
275.01727	14.4
276.02679	3.8
281.04248	2.3
285.00217	11.6
287.01758	2.1
289.03424	12.5
293.04410	2.0
297.03952	4.4
303.01328	95.5
304.01779	2.5
309.04025	2.2
311.05472	5.4
313.03342	4.4
315.01312	11.8
315.04922	3.5
321.03720	4.5
323.01782	1.8
328.99338	17.9
329.06512	2.0
331.00800	24.8
333.02747	1.7
337.03339	5.2
339.01266	5.0
339.05020	10.3
341.02847	5.1
342.99722	2.0
353.03094	2.7
355.04263	6.0
357.05975	3.3
359.02872	5.2
365.02887	5.2
367.04514	7.7
383.03870	6.8
385.05515	3.1
393.02173	3.0
399.16382	2.2
411.03445	6.0
429.04822	8.6
429.17270	100.0
429.21988	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.0
58.06590	9.7
63.13730	4.4
69.03422	6.0
70.83066	5.0
70.83392	11.2
81.03376	11.3
81.07042	6.7
85.02891	12.4
86.09676	5.1
97.02863	11.6
107.04952	7.7
109.02878	8.4
127.03909	6.9
145.02823	6.8
162.03067	5.9
163.03931	7.1
177.05470	14.7
190.02606	7.4
190.06244	7.9
190.08411	5.0
205.08591	29.3
208.03653	5.6
221.08127	8.8
223.06009	100.0
248.17194	5.6
249.07480	6.5
266.10229	21.3
266.13852	4.2
303.01257	10.4
357.22961	4.6
360.76239	4.6
428.20398	6.1
431.85764	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	428.155
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	6.5
70.06572	7.1
71.08607	5.4
71.14772	11.3
81.03414	16.6
81.07063	8.7
83.42523	6.2
85.02917	12.1
85.58755	5.4
91.05836	7.7
93.07079	5.6
95.04976	5.6
97.02941	6.8
107.04948	7.9
109.02850	12.6
127.03943	7.9
135.04443	5.7
137.06068	6.2
145.02870	7.2
162.03120	6.5
177.05487	23.5
178.42636	5.1
179.03391	6.1
190.02750	7.5
191.89230	5.3
201.01868	5.3
205.08655	20.6
208.03651	8.3
211.57634	5.6
223.05998	100.0
249.07452	5.5
266.10211	24.9
303.01239	10.1
315.01312	5.5
359.02927	14.2
428.12537	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	427.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	7.2
55.01857	7.7
55.05507	99.6
56.24595	2.4
57.03440	16.1
59.05002	3.4
67.05501	36.7
69.03432	11.9
69.07069	23.7
71.04978	7.5
79.05489	71.4
81.03410	85.1
81.07045	49.5
83.04976	16.1
83.08617	50.8
85.02895	34.7
85.06496	4.5
88.29288	2.3
91.05463	31.9
93.07037	20.1
95.04960	30.5
95.08614	14.1
96.69524	2.4
97.02878	10.0
97.06502	6.7
97.10162	57.6
98.21510	5.3
105.07020	28.6
107.04938	9.6
107.08582	33.5
109.06469	7.4
109.10138	7.8
111.04422	4.7
111.08073	16.3
113.05970	4.4
117.06995	3.4
119.08576	20.9
121.06490	4.4
121.10117	11.6
123.08030	5.2
123.11721	3.0
125.09621	47.6
129.07004	14.7
131.08530	13.9
133.06477	3.2
133.10120	14.1
135.08040	3.2
135.11671	3.5
142.07816	2.8
143.10716	13.3
145.10127	4.7
147.11690	19.6
149.09593	5.1
151.07458	3.2
157.10118	19.7
165.12724	6.3
173.09583	3.0
175.11188	20.4
193.12242	100.0
199.11629	2.9
199.13191	13.4
211.13277	72.7
212.13618	2.6
217.14357	13.1
267.15900	18.1
285.16876	9.5
317.21072	8.0
335.22168	7.6
409.25699	16.4
427.26947	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75466	6.9
53.41370	6.1
55.05502	20.6
57.07057	8.3
64.25363	7.2
64.37656	7.4
67.05496	36.9
68.16087	7.5
69.07065	25.3
79.05486	18.9
81.07063	54.5
83.08608	8.5
88.25594	7.1
91.05473	8.1
93.07046	28.5
95.08604	100.0
96.16763	6.8
98.21510	18.8
105.07029	30.9
107.08592	40.6
109.10160	57.6
117.07089	7.8
119.08570	22.3
121.10122	39.1
122.53246	6.8
122.97064	6.7
123.08006	8.5
123.11724	25.0
130.86086	6.6
131.08577	11.5
131.28517	6.7
133.10126	25.4
135.11679	21.6
137.13264	17.5
143.08501	8.5
145.10124	12.3
147.11728	19.6
149.13257	16.9
159.11664	9.0
161.13255	11.1
163.14915	10.3
165.09117	22.5
175.14854	6.9
189.16493	14.5
191.17834	8.9
213.16519	8.8
223.80229	8.0
229.27734	7.4
313.81848	7.3
315.43350	7.5
329.63486	8.4
409.34778	13.2
427.30466	10.6
427.35721	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.5
53.24121	1.6
55.01869	14.9
55.05507	17.0
57.03432	19.6
57.07065	3.8
59.04998	2.7
61.02905	1.9
62.23883	1.9
67.05504	29.2
69.03428	36.7
69.07058	16.0
69.44609	3.2
69.45006	16.6
71.01372	2.0
71.04984	14.6
71.08633	2.8
73.02883	2.3
73.65129	1.7
79.05494	27.0
80.80308	1.9
81.03415	100.0
81.07057	29.3
81.48901	1.8
83.01329	3.4
83.04977	29.6
83.08622	12.7
85.02885	14.5
85.06535	2.4
87.04464	2.8
87.94556	1.7
91.05475	15.6
93.07040	39.6
95.04963	6.3
95.08596	34.0
97.02882	41.4
97.06527	9.5
97.10175	5.4
99.04441	16.3
105.07017	14.2
107.04943	5.4
107.08596	32.1
109.02874	25.4
109.06508	5.2
109.10150	22.4
111.04432	20.5
111.08077	7.2
111.11674	2.6
117.07008	10.2
119.08576	21.7
121.06461	3.9
121.10137	22.7
123.08062	7.8
123.11686	11.5
125.05944	3.7
125.09646	5.3
127.03923	29.6
131.08559	8.6
133.10118	11.6
135.08034	3.0
135.11684	33.2
137.09641	2.6
137.13222	5.7
145.10115	18.6
147.08044	2.6
147.11688	11.2
149.09642	2.5
149.13246	3.4
151.14818	2.7
153.12744	27.7
155.08580	3.3
157.10146	4.1
159.11687	5.7
161.09595	3.2
161.13277	5.3
163.11168	29.8
163.14813	3.9
165.12773	2.4
173.09663	5.9
173.13304	5.9
175.11131	2.5
175.14810	5.7
177.16396	3.2
181.12242	21.5
183.11588	2.5
187.14803	3.6
189.11188	2.9
189.16444	5.9
191.10625	12.6
191.17952	3.8
199.13249	2.6
201.16354	2.3
203.17883	2.4
205.15855	2.3
209.11632	12.1
217.19482	2.6
219.17365	2.4
227.12749	33.9
263.12994	2.3
283.15369	3.5
353.15826	10.6
409.30817	5.5
427.19659	73.4
427.31671	7.0
427.35754	8.8
428.20108	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69709	1.8
53.03952	14.6
55.01871	15.1
55.05510	23.1
57.03441	20.8
57.07062	6.0
59.04987	3.6
61.02927	2.4
65.03914	2.3
67.05502	33.9
69.03431	39.8
69.03806	2.5
69.07072	25.9
71.04980	17.0
71.08630	3.1
71.57874	2.3
71.58263	2.3
73.02900	2.7
79.05491	34.4
81.03416	100.0
81.07057	41.2
83.01336	5.0
83.04971	37.1
83.08626	18.5
85.02900	15.8
85.06541	4.6
87.04450	2.3
91.05486	21.2
93.07042	44.8
95.04984	9.4
95.08605	55.4
97.02889	41.4
97.06527	14.2
97.10168	7.9
99.04456	16.7
105.07029	24.8
107.04960	5.9
107.08591	42.8
109.02887	20.8
109.06513	8.7
109.10152	36.7
111.04432	17.5
111.08080	9.3
111.11731	4.9
115.28246	2.0
117.07005	9.7
119.08582	39.0
121.06516	5.3
121.10143	47.8
123.04470	3.8
123.08064	8.5
123.11709	29.3
125.05998	5.5
125.09638	4.8
127.03918	28.0
129.07050	2.7
131.08540	11.5
133.10129	24.7
135.08026	5.2
135.11696	46.6
137.09645	3.1
137.13237	10.2
139.11179	2.0
141.09161	2.0
143.08568	4.3
145.10124	23.3
147.08057	5.9
147.11697	16.6
149.09656	5.4
149.13248	9.1
151.11208	2.4
151.14821	8.8
153.12743	26.8
155.08583	3.1
157.10155	5.2
159.08095	2.2
159.11716	9.9
161.09592	4.3
161.13277	13.4
163.11191	26.4
163.14825	6.2
165.12737	2.2
167.10660	3.8
169.10103	3.3
173.09622	5.5
173.13249	7.7
173.28323	2.0
175.11174	3.0
175.14842	12.5
177.12770	4.9
177.16434	9.8
181.12236	23.7
183.06583	2.4
185.13263	5.5
187.14842	4.7
189.11182	3.0
189.12802	2.5
189.16373	12.3
191.10672	11.8
191.17973	8.9
199.13171	2.0
201.16449	7.7
203.14435	2.6
203.17917	10.5
205.15932	4.4
207.17616	2.7
209.11661	10.5
213.16330	3.6
217.15794	2.5
217.19508	8.2
219.17349	3.9
220.02997	2.0
224.74071	2.0
227.12794	36.8
231.17386	3.9
231.21083	3.9
233.15485	2.0
243.17429	2.3
245.18872	2.0
245.22658	4.2
257.19128	2.3
269.19086	2.1
269.22589	2.5
283.15378	3.1
308.61823	2.2
353.15869	11.7
381.27924	2.2
382.95984	2.1
391.29752	2.8
391.34204	2.4
409.26889	4.4
409.30869	10.3
423.17548	2.0
427.19638	70.2
427.31491	28.1
427.36569	7.7
428.20242	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	427.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	17.5
55.01864	17.8
55.05504	18.8
55.92443	2.6
57.03432	20.8
57.07074	3.6
57.07346	2.3
67.05503	32.8
69.03429	46.4
69.07060	17.4
71.04997	18.3
73.02883	3.0
79.05488	23.0
81.03416	100.0
81.07053	38.2
82.03742	2.4
83.01347	3.2
83.04971	31.8
83.08627	12.5
85.02902	16.2
85.06515	4.2
87.04473	2.8
90.07310	2.3
91.05457	14.7
93.07047	35.5
94.05518	2.3
95.04952	8.5
95.08606	38.7
97.02891	45.3
97.06532	8.1
97.10163	5.9
99.04455	17.2
101.02361	2.5
105.00824	2.5
105.07035	14.3
106.62164	2.2
107.04943	9.3
107.08586	28.2
109.02879	18.4
109.06459	2.7
109.10153	14.7
111.04421	18.6
111.08060	7.0
115.28580	2.0
117.07014	6.3
119.08559	14.6
121.10130	14.2
123.08038	3.8
123.11718	3.7
125.09612	4.5
127.03913	31.1
129.05457	2.2
129.06961	2.0
131.08546	6.3
133.10135	8.7
135.08037	3.5
135.11693	26.7
137.13254	11.8
145.04962	2.6
145.06425	2.5
145.10121	16.2
147.08055	3.9
147.11687	4.9
149.09599	2.7
149.13318	2.5
151.14783	2.8
153.12740	28.2
157.10123	2.8
159.11633	3.9
163.11194	26.5
163.14780	2.4
171.11504	2.5
173.09644	4.9
181.12248	28.3
191.10648	12.7
199.13313	4.0
209.11737	10.0
219.17346	2.3
227.12766	38.9
245.22363	2.5
353.15924	15.2
409.30429	3.0
427.19592	70.2
427.35825	6.5
428.19858	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	16.1
55.01855	14.0
55.05505	16.9
57.03426	18.5
64.38789	4.0
67.05513	22.9
69.03424	38.6
69.07059	8.9
70.53809	15.7
71.04981	16.2
79.05492	25.5
81.03420	100.0
81.07066	20.7
82.64664	4.2
83.04989	37.4
83.08610	6.9
85.02909	16.2
87.04489	6.5
91.05474	15.4
93.07028	32.7
95.04974	9.6
95.08593	17.1
97.02883	39.6
97.06516	7.7
97.10155	5.8
99.04443	16.4
105.07026	10.4
107.08574	15.2
109.02876	15.3
109.06479	5.1
109.10144	8.9
111.04436	17.0
111.08076	6.5
117.06994	6.1
119.08591	11.3
121.06508	4.5
121.10130	15.2
123.08090	4.6
127.03899	35.1
130.04680	3.9
133.10121	6.1
135.11685	27.6
145.10101	20.2
147.11700	5.0
153.12756	32.4
155.41096	3.7
163.11169	31.3
173.09595	8.8
173.13242	6.2
177.16696	3.8
181.12231	29.2
185.86732	4.5
191.10686	10.9
209.11760	9.5
227.12825	43.4
245.19557	4.2
283.15323	6.5
353.15945	17.5
427.19656	77.8
428.19501	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	425.3776
Annotation	Pachysandienol A
Peak:m/z	Relative Intensity
67.05493	36.8
69.07048	40.4
70.28932	9.7
71.58640	10.8
71.59112	17.8
79.05466	26.3
81.07040	49.9
83.08610	20.3
91.05466	24.9
93.07030	36.3
94.51438	11.3
95.08599	100.0
105.07033	30.2
107.08585	49.6
109.10155	72.7
111.11660	16.6
115.04470	11.9
119.08572	32.6
121.10124	51.8
123.11729	16.4
129.13806	10.1
133.10092	35.1
135.11710	30.3
147.11662	37.9
149.13269	26.8
159.11655	23.7
161.13210	17.2
173.13203	14.0
173.40268	10.6
175.14867	13.2
177.16394	23.2
189.16420	25.8
191.17993	16.8
196.48277	13.0
203.17798	17.0
215.18106	13.1
217.19571	18.8
218.81940	11.1
229.19623	20.4
263.58737	10.9
270.11786	11.0
398.41977	13.4
399.13150	12.0
407.36566	41.5
425.37692	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	427.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94622	1.1
58.28054	1.2
67.05487	1.3
67.08900	1.4
69.03413	4.7
69.07072	1.5
70.06600	2.0
71.04987	1.3
71.56667	1.5
72.08157	1.5
74.01295	1.2
79.01856	3.3
81.03428	12.2
85.02892	6.4
93.07030	1.3
95.04951	1.3
97.02890	6.9
99.04453	1.7
101.05001	1.4
107.01299	2.2
109.02892	6.5
113.02371	22.5
125.02366	3.2
127.03903	8.7
143.03429	7.2
150.07809	6.0
153.01836	100.0
154.02153	2.0
171.02893	11.5
220.55721	1.4
222.52174	1.4
297.06058	7.9
315.07083	2.1
346.37997	1.4
425.48093	1.4
427.12027	25.7
427.19531	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	427.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01872	1.3
55.05499	2.9
57.07076	2.1
64.42361	0.8
67.05507	2.6
69.03415	2.8
69.07072	1.6
70.86698	1.5
70.87044	2.1
71.04981	1.3
73.02904	0.8
79.05493	8.0
81.03421	3.0
81.07050	2.2
83.04944	1.3
83.08612	2.5
84.08130	0.9
85.02891	3.8
85.06543	1.7
91.05492	5.3
91.62446	1.0
92.40429	1.0
93.07047	7.8
95.04962	2.3
95.08611	2.1
97.02899	2.1
97.06511	1.8
100.07635	2.0
100.11256	4.1
105.07037	1.6
107.04941	1.0
107.08574	1.6
109.02886	2.3
109.06509	1.4
111.04440	3.1
117.07017	0.9
119.08568	5.0
120.16611	0.9
121.06512	3.2
123.08080	1.0
127.03915	100.0
127.07578	1.5
128.04143	1.2
128.07033	0.9
131.01981	1.1
133.10146	1.8
135.08015	0.9
137.05975	1.1
139.07544	4.0
142.07697	1.1
145.10123	1.5
147.08080	1.0
147.11636	1.2
149.09607	1.0
153.01816	2.1
156.13831	5.7
182.15431	3.4
184.11792	1.0
184.13228	4.5
189.09119	0.9
203.12785	1.5
210.14897	3.5
227.17607	1.4
237.02783	1.3
247.13023	2.6
265.14081	1.8
283.23892	1.3
326.63388	0.8
337.21124	1.7
409.15155	1.3
410.29929	1.8
427.19388	49.6
427.32913	3.7
427.39600	1.1
451.27753	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3775
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
52.61024	4.8
55.05500	14.3
57.07057	7.9
67.05510	26.4
69.07062	40.8
79.05489	13.2
81.07059	65.4
83.08613	14.2
91.05476	16.1
93.07032	29.5
95.08603	100.0
97.10183	7.2
105.07033	34.4
107.08592	69.5
109.10155	76.0
111.11691	7.8
119.08574	32.2
121.10150	48.3
123.08074	5.2
123.11700	37.2
131.08498	6.7
133.10130	35.5
135.11697	33.6
137.13272	22.6
145.10092	14.1
147.11673	32.0
149.13275	28.8
151.14883	6.2
157.10123	6.8
159.11717	23.7
161.13251	26.9
163.14801	21.4
171.11670	5.2
173.13316	10.7
175.14835	21.5
177.16376	13.0
179.14268	19.3
187.14874	10.3
189.16382	14.5
191.17947	14.1
201.16368	19.5
203.17941	18.5
205.15808	8.5
205.19469	7.5
215.17960	18.9
217.19542	13.6
229.19598	10.5
231.21036	9.0
237.03072	5.3
243.21243	5.5
257.22748	6.3
380.73047	4.8
407.36905	29.6
425.38132	61.4
426.38348	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	425.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22048	3.1
53.03929	3.4
55.05507	15.3
57.07060	7.6
65.03931	3.4
67.05505	39.1
69.07060	39.0
71.08640	5.3
71.19037	3.6
71.19367	5.8
79.05483	21.5
81.07055	68.6
83.08617	15.9
85.06541	6.9
87.56273	2.4
91.05477	23.8
93.07038	47.1
95.04936	6.5
95.08600	100.0
97.06497	3.9
97.10145	9.2
99.08083	3.5
105.07030	36.9
107.07874	4.1
107.08591	70.3
109.06483	7.4
109.10152	91.5
111.11679	5.0
115.05523	3.1
117.07009	7.8
119.08583	55.7
121.10147	61.3
123.11700	26.7
125.09605	3.3
127.11171	3.7
129.06978	2.8
131.08572	9.6
133.10126	41.4
135.07999	4.1
135.10698	3.7
135.11691	50.0
137.13258	13.2
142.07790	4.7
143.08546	6.3
143.09750	2.6
145.10126	20.1
147.11668	30.3
149.13240	27.6
157.10089	8.2
159.11708	28.1
161.13237	27.3
163.14824	19.3
169.10147	3.4
171.11705	7.4
172.12425	3.1
173.13187	14.4
175.14822	17.7
177.12764	4.1
177.16382	9.3
179.14323	7.2
183.11658	3.7
185.13203	6.9
187.14842	15.0
189.16356	32.2
191.17924	25.4
197.13208	3.7
199.14806	7.1
201.16367	11.4
203.17941	16.7
205.15854	5.0
205.19507	9.2
207.17465	16.6
211.14894	4.2
213.16370	5.3
215.17870	7.4
217.15939	4.9
217.19501	20.8
219.13715	3.7
219.17342	4.5
221.15359	3.3
227.17825	3.9
229.19357	3.6
230.86246	3.2
245.22639	4.6
255.21063	4.0
283.24188	5.8
407.32706	6.2
407.37219	5.7
425.29599	6.0
425.33759	20.8
425.38123	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	425.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87561	3.1
55.05509	23.0
56.29777	3.8
57.07066	4.5
67.05502	45.2
69.07067	41.0
69.31692	23.1
69.32123	15.2
71.04979	7.3
71.08625	4.9
79.05489	24.5
81.07050	68.2
83.08630	21.0
85.06547	19.9
91.05479	20.1
93.07041	48.8
95.04926	5.0
95.08604	100.0
97.10140	8.7
105.07020	46.5
107.08591	64.0
109.06493	5.9
109.10149	71.6
111.08096	7.2
111.11705	5.4
119.08578	55.7
121.06554	4.1
121.10149	48.2
123.08048	5.7
123.11707	38.1
125.09576	5.7
129.07025	5.6
131.08577	15.9
133.10123	54.3
135.08061	6.8
135.11687	39.6
137.09570	3.9
137.13248	14.2
141.06981	4.7
143.08463	7.3
145.10085	27.6
147.08067	4.0
147.11676	30.7
149.09668	7.0
149.13257	24.3
151.11148	6.0
155.08452	4.2
157.10115	11.2
159.11705	37.2
161.09682	4.5
161.13248	33.2
162.47754	3.8
163.11287	6.2
163.14819	15.5
171.11674	12.3
173.13321	18.8
175.14844	20.0
177.12776	4.7
177.16426	11.8
179.14296	4.3
185.13272	15.4
187.14842	17.7
189.16412	29.6
191.17949	13.8
197.13216	6.8
199.14824	9.1
201.16391	12.2
203.14267	5.3
203.17999	23.9
205.19565	7.2
207.17430	14.7
213.16426	7.1
215.17960	12.1
217.19531	33.3
227.17856	6.5
229.19426	8.0
238.78145	3.8
247.13199	7.1
255.21175	6.8
269.22693	6.2
287.20001	4.5
333.13416	4.5
407.28754	7.7
407.33127	6.6
425.30075	16.7
425.34174	21.9
425.38144	13.4
426.30325	7.2
441.33878	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	425.178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33898	1.1
53.03935	1.6
55.05501	1.8
57.03410	1.4
63.17689	1.0
67.05495	1.4
69.03440	2.4
70.15540	1.2
70.15836	5.9
71.04971	2.1
73.02924	2.0
74.56363	1.2
79.05480	3.2
81.03412	2.2
81.07066	2.6
83.04996	2.1
83.08620	1.5
85.02896	3.2
91.05461	2.9
93.07053	5.6
95.08618	2.3
97.02897	2.5
97.06517	2.2
105.07037	2.8
107.08593	2.1
109.71465	1.3
111.04470	2.0
115.05470	1.3
116.62828	1.1
118.05453	1.2
119.08588	1.3
121.06545	1.2
121.10128	2.4
125.05980	1.2
127.03920	3.4
133.10176	1.6
134.99626	1.4
140.04337	1.2
145.10188	2.0
147.07999	1.5
153.01825	1.5
157.10126	2.2
166.97725	1.7
177.10278	1.5
181.80685	1.2
183.08247	1.3
185.13301	1.3
201.03709	4.4
203.05341	1.4
205.08344	2.0
245.11554	2.6
263.12814	1.6
263.16351	1.4
293.18524	2.6
327.14072	1.7
425.17834	100.0
426.18234	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1784
Annotation	GlcNAcbeta1-6GalNAcalpha
Peak:m/z	Relative Intensity
57.03425	0.8
67.05498	0.9
69.03433	1.9
69.27902	8.6
69.54811	0.7
70.06605	1.3
70.28860	0.7
71.05040	0.6
74.93444	0.7
81.03418	2.7
83.04948	0.8
85.02863	1.0
90.74297	0.7
91.05480	1.1
97.02915	1.7
101.00906	1.1
102.24007	0.7
109.02872	2.4
111.04451	0.8
111.68677	0.7
119.01898	3.9
121.06573	1.0
123.08037	1.0
126.05534	1.1
127.02970	1.1
127.03914	22.5
133.10118	0.9
137.02327	15.8
143.01917	1.9
143.08551	1.0
147.04341	1.0
155.03386	1.3
161.02982	3.2
168.57910	0.7
185.04263	2.2
187.11183	1.2
188.03943	0.8
203.05226	1.2
215.10672	1.1
223.08295	1.0
245.11665	1.3
261.13620	0.8
263.12653	3.1
269.08768	2.4
279.14600	1.4
281.06622	2.1
297.15320	1.0
305.12823	1.1
323.13400	9.0
341.14493	2.4
365.14743	1.5
379.42194	0.8
425.17786	100.0
426.18048	2.4
445.27173	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70281	0.8
60.38053	0.7
64.64796	1.0
66.26398	1.0
69.83312	4.9
69.83702	1.7
82.99857	1.6
97.02842	1.0
101.00865	11.7
109.02878	1.6
113.00874	0.8
119.01924	29.7
127.02419	1.7
131.01898	10.3
137.02933	4.1
143.01901	23.2
144.02086	0.8
145.03473	9.6
149.02956	1.7
155.01907	9.1
157.03435	5.8
161.02966	56.9
162.03059	1.4
163.04523	1.4
167.01892	5.4
169.03490	2.8
169.98088	0.8
171.05045	2.4
173.02968	21.1
175.04572	2.4
179.01952	2.9
179.04025	1.3
184.04547	1.9
185.02965	35.9
187.04501	4.3
191.04018	6.1
197.02948	15.6
203.04025	15.9
208.04562	1.2
209.03003	1.2
214.05580	1.1
215.04050	7.2
221.05031	1.8
227.03999	7.6
239.03951	0.9
245.05080	100.0
246.05180	4.1
257.05121	5.0
263.06128	24.8
275.06110	12.0
286.07730	1.6
293.07126	4.2
305.07159	7.3
335.08179	2.1
365.09216	2.4
383.10785	0.8
418.03976	0.9
425.06580	1.2
425.11572	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
53.54975	0.7
55.01878	1.6
65.03935	1.9
69.03419	2.3
69.55643	2.8
69.56061	2.3
73.02920	0.8
76.86900	0.7
79.01841	1.3
79.05483	1.9
81.03413	2.1
81.07055	2.2
85.02902	4.1
91.05481	7.8
93.07034	0.9
95.04976	1.2
97.02898	1.9
107.04938	0.9
109.02880	2.5
109.06497	1.3
116.99343	0.7
119.04946	1.8
127.03913	100.0
128.04237	1.8
130.06569	1.1
136.71301	0.7
137.05957	3.1
143.03351	0.8
145.04990	0.8
153.01839	8.3
160.21494	0.8
228.82796	0.7
262.54831	0.7
263.09222	1.0
303.05002	1.7
377.01852	3.9
395.02994	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.362
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
55.05517	9.0
58.10287	5.7
67.05489	24.9
69.07069	19.1
71.12946	13.1
79.05476	11.1
81.07052	47.9
83.08579	7.0
93.07042	21.4
93.70983	6.3
95.08587	60.9
105.07050	27.4
107.08595	25.4
109.10152	30.6
111.11759	9.9
119.08565	20.2
121.10132	30.7
123.11697	34.7
133.10164	13.6
135.11703	19.8
137.13257	23.4
139.11134	13.8
145.10112	12.2
146.91531	6.6
147.11708	22.7
149.13275	8.7
153.12711	11.7
159.11693	17.2
161.13225	12.5
163.14809	12.0
171.11572	9.4
173.13309	14.1
175.14841	10.5
175.58189	6.1
185.13327	8.0
187.14804	9.1
196.02115	7.1
201.16306	10.2
215.17805	8.2
221.21730	6.1
222.60596	5.9
223.14827	7.2
229.19623	22.5
231.21167	14.9
257.22784	7.7
263.63583	7.0
269.22427	8.9
285.22269	9.8
366.98230	7.0
368.90155	7.2
382.61481	8.5
405.35132	24.0
423.36307	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03009	3.0
51.58482	3.3
69.03416	11.3
69.52400	3.1
69.52687	30.6
70.06593	19.3
73.46711	3.3
81.03405	6.1
85.02892	15.5
97.02882	10.2
103.05462	3.5
109.02848	8.3
112.07598	21.0
121.06429	4.0
127.03916	7.0
137.06033	3.9
140.07050	7.4
149.05907	6.1
153.01831	100.0
165.05466	4.7
167.07001	6.5
171.03001	5.0
173.07404	3.5
177.05496	13.7
177.88617	3.7
181.01428	17.2
197.08061	9.2
203.03426	6.6
209.08076	16.9
227.09140	4.8
237.02753	4.7
245.04507	5.8
263.05560	18.3
276.06738	3.9
308.39697	3.5
315.07040	16.4
357.42606	3.6
406.42560	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	424.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	22.4
55.01871	15.4
55.05510	10.3
57.03429	7.4
60.04539	4.9
61.02930	4.8
65.03918	3.9
67.05500	8.0
69.03425	41.1
69.07063	43.4
71.04986	7.4
71.08639	21.1
71.57834	4.6
71.58215	4.5
73.02917	6.8
73.45827	3.1
76.33424	3.2
77.03904	3.3
79.05493	59.2
81.03420	46.6
81.07052	6.0
83.08625	5.0
84.04504	12.1
85.02901	51.3
85.80157	3.7
86.02430	4.3
91.05479	48.6
93.07044	56.8
95.04966	32.4
95.08626	8.4
97.02890	60.9
97.06512	19.2
99.04459	13.7
99.76655	3.2
103.03940	7.8
103.05465	5.6
103.63285	3.8
105.07014	7.8
107.08620	3.7
109.02871	18.0
109.10139	4.3
110.02447	3.4
111.08101	4.5
114.09159	25.2
117.07024	5.0
121.06502	35.4
124.07628	3.4
127.03910	52.3
133.78206	3.8
135.08083	11.4
137.05968	5.8
139.07535	26.4
142.08629	100.0
142.09750	5.5
145.04997	9.1
145.06476	4.1
145.10065	4.1
147.08064	3.7
153.01837	5.6
157.08577	3.2
163.07559	11.6
165.09154	6.5
172.09740	6.5
180.10219	7.4
184.09642	24.4
201.14799	3.0
205.08575	4.3
208.09671	40.0
220.09676	5.7
238.10666	6.3
250.10846	22.7
254.37619	3.3
268.11832	13.3
271.27466	3.4
283.11963	7.3
286.12842	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.2
55.01866	4.8
55.05514	21.2
57.03429	6.1
57.07071	8.1
59.04985	1.8
65.03947	2.2
65.88176	1.9
67.05502	68.0
68.05838	1.9
69.03445	3.9
69.07062	27.0
70.48219	5.6
71.05003	3.8
71.08615	4.0
72.03672	1.8
73.01566	1.7
74.52579	1.6
75.91570	1.9
79.05495	27.2
81.03438	2.6
81.07054	54.4
83.04980	4.0
83.08616	15.3
85.06564	5.4
91.05482	21.7
93.07040	38.0
95.04967	6.9
95.08602	39.3
97.02911	6.2
97.06535	5.9
97.10187	4.7
99.04504	4.0
99.08087	4.2
105.07036	22.3
107.08593	29.3
107.09288	1.9
109.02871	2.1
109.06502	21.6
109.10154	44.3
111.08102	6.5
117.07044	3.2
119.08570	25.4
121.06539	3.0
121.10133	24.6
123.08065	61.7
123.11697	9.9
127.03928	4.1
131.08568	12.8
131.09389	1.8
133.10133	19.2
133.10995	2.3
135.08037	16.6
135.11673	12.9
137.09657	6.5
137.13303	4.5
143.08603	3.6
145.10124	13.3
147.11673	14.9
149.09650	5.2
149.13266	15.2
156.09363	2.0
157.10130	4.8
159.11676	14.6
161.09634	2.2
161.13245	9.0
163.11247	2.4
163.14857	3.2
165.12869	2.7
169.10085	2.4
171.11725	6.3
172.14494	1.7
173.11775	4.3
173.13304	6.8
175.11229	2.5
175.14922	6.2
177.01053	1.7
177.12784	6.4
177.16437	2.9
179.14325	47.1
179.15814	3.4
180.14781	1.8
183.11736	4.3
185.13306	4.7
187.14893	3.8
189.16443	6.1
191.14288	2.8
191.18028	2.3
193.15947	2.5
195.11742	1.8
195.13824	3.5
197.13242	2.0
199.14857	5.2
201.16446	5.0
203.14520	1.9
205.15933	1.9
211.14853	2.2
215.18018	4.4
217.19463	1.7
225.16402	2.8
227.17995	2.0
233.19214	2.2
241.19713	2.8
261.22299	2.5
275.20197	3.2
293.21213	3.7
300.04529	1.8
303.26907	5.5
331.22464	3.0
331.26279	42.5
349.27399	13.5
367.24951	1.7
405.31326	4.9
423.31415	100.0
424.31802	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	423.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	44.8
56.96565	38.0
69.98132	32.5
71.04977	37.1
71.20992	79.1
78.46281	32.4
79.05498	71.4
81.03419	70.9
81.07037	37.4
85.02905	94.5
91.05514	39.0
93.07027	100.0
97.02891	43.7
109.02919	54.9
137.06009	49.8
139.07498	72.5
139.95531	37.4
153.01849	60.7
167.07018	33.4
255.60133	39.1
313.55078	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01873	1.1
55.05508	11.5
57.03423	3.2
57.07063	2.1
59.04990	4.0
65.03924	3.6
67.05502	100.0
69.03428	1.0
69.07066	10.7
70.47959	0.9
71.04991	4.6
71.36806	0.9
79.05061	1.5
79.05489	20.0
81.03401	1.7
81.07053	45.8
83.04980	2.5
83.08610	10.2
85.06527	2.9
90.36781	0.9
91.05482	15.3
93.07040	25.3
95.04958	4.7
95.08597	12.9
97.06515	5.7
99.08122	1.0
105.07047	4.7
107.08584	15.3
109.06490	1.8
109.10149	54.9
111.08062	5.4
116.64401	0.9
117.07026	4.3
119.08589	5.8
121.10140	7.2
123.11660	1.7
125.09595	1.4
131.08533	5.6
133.10143	6.2
135.08029	0.9
135.11659	5.5
137.09618	2.6
143.07054	0.9
147.11777	1.3
149.09665	1.2
149.13260	12.9
155.10660	3.0
159.11708	5.5
161.13332	1.0
162.69968	0.8
173.11736	15.8
177.12810	1.6
187.75133	0.8
195.13811	6.6
266.74014	0.8
412.56635	1.0
423.27438	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	423.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
54.97313	0.9
55.01859	1.2
55.05511	13.6
57.03414	2.6
57.07055	1.4
59.04984	3.8
65.03927	3.2
67.05502	100.0
68.05825	1.8
69.03436	1.1
69.07066	10.8
69.42995	8.4
71.04997	5.2
74.94283	1.0
79.05062	1.4
79.05488	19.7
81.07050	47.0
83.04954	2.9
83.08614	11.9
85.06528	3.3
91.05475	16.2
93.06473	1.8
93.07037	25.3
95.04954	4.0
95.08598	13.3
97.06541	4.4
99.08056	1.7
105.07039	4.4
107.08585	16.3
109.10150	58.6
111.08081	5.2
117.07006	3.9
119.08568	6.4
121.10152	7.4
121.58222	0.8
123.11732	1.5
124.34771	0.8
131.08539	3.6
133.10132	4.4
135.11664	4.1
137.09566	2.3
149.13251	15.1
155.10649	3.4
159.11668	7.0
173.11742	16.9
177.12730	2.9
195.13768	7.3
221.32805	1.2
227.91261	0.9
423.27368	31.2
423.32965	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01889	1.3
55.05510	13.5
55.20673	0.9
57.03417	3.7
57.07058	2.2
59.04982	2.3
65.03930	2.1
66.93203	0.9
67.05504	100.0
69.07066	13.1
71.03331	2.2
71.04974	4.1
71.90872	0.8
74.55318	0.9
79.05071	1.4
79.05491	19.7
81.03414	1.9
81.07058	47.2
83.04961	3.3
83.08622	11.0
85.06521	3.6
87.33619	0.8
91.05476	14.5
93.06478	1.8
93.07044	29.2
95.04954	4.2
95.08608	14.4
97.06516	3.6
97.10136	1.1
99.08067	1.9
100.69065	0.9
105.07050	6.9
107.08590	17.5
109.06523	2.1
109.10155	59.0
111.08080	5.1
117.07018	3.9
119.08578	10.0
121.06465	1.4
121.10143	9.2
123.11691	3.3
131.08530	3.5
133.10161	8.0
133.87617	1.0
135.08017	1.1
135.11700	6.2
137.09596	2.7
145.10147	2.2
147.11702	1.5
149.13254	13.3
154.58380	1.0
155.10597	4.5
157.10213	1.6
159.11714	5.6
165.09151	0.9
173.11743	17.3
173.13187	1.9
177.12759	4.2
183.11687	1.4
185.13255	1.3
187.14749	1.0
191.51062	0.9
195.13805	8.6
200.33702	1.0
211.13332	1.1
211.15044	1.0
213.14874	1.3
225.18530	1.0
301.63300	1.0
382.59421	1.2
423.27411	36.5
423.32364	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	422.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80983	2.7
54.46816	2.6
57.81077	3.2
69.03426	8.1
69.89661	3.0
70.55784	2.9
70.72969	10.1
79.05474	4.2
81.03406	9.4
81.07075	5.0
85.02893	8.2
91.05493	7.6
97.02892	5.6
97.06529	9.3
103.26475	3.1
107.04983	3.2
109.02885	8.4
114.78715	2.9
122.06092	3.8
125.02326	3.6
127.03928	9.6
137.05998	3.6
137.57018	3.1
143.03384	7.3
148.44846	2.8
153.01817	100.0
153.02998	6.4
171.02916	10.6
190.08824	4.0
242.08073	3.8
243.15926	3.6
293.11612	3.9
297.06088	9.1
300.56812	3.1
315.06949	15.0
422.14224	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	422.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
66.13131	0.8
69.03415	3.9
69.07067	1.4
69.56531	0.9
69.92973	3.5
73.02931	0.8
79.01862	2.2
81.03413	6.6
85.02883	5.3
91.05486	1.0
92.17174	0.8
95.29974	0.8
97.02876	4.3
97.06521	1.3
98.20844	1.3
99.04469	1.5
101.59055	0.9
107.01326	2.0
109.02876	5.0
114.41477	0.8
125.02357	3.4
127.03912	6.7
128.10654	1.1
128.88087	0.7
132.67961	0.7
143.03381	5.7
145.04982	1.4
153.01823	100.0
154.02145	2.0
171.02861	11.1
186.09154	1.2
190.08789	0.8
193.16264	0.8
196.07542	1.9
242.08064	1.2
297.05966	7.0
315.07050	11.1
422.14749	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	422.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	20.5
55.01859	8.7
57.03424	4.8
64.69775	3.6
65.03931	4.7
67.05503	44.7
69.03429	39.9
69.07049	10.9
71.04972	7.1
71.58234	5.9
73.02895	7.1
79.05491	48.5
81.03413	24.3
81.07037	3.4
85.02902	41.1
89.45177	3.7
91.05479	44.8
93.07032	41.5
94.06565	4.3
95.04963	74.9
95.08598	4.8
97.02887	45.6
99.04441	12.4
103.03914	7.0
105.06998	6.7
107.04936	5.6
109.02850	13.8
111.08078	7.8
112.07590	35.5
113.06033	3.5
119.08605	3.3
121.06490	26.8
121.39968	3.2
122.06030	5.2
124.07575	9.2
127.03923	35.3
131.08513	4.7
135.08052	11.5
139.07513	21.1
140.07060	100.0
145.04929	4.2
150.09125	4.2
152.07050	4.0
154.08582	4.5
159.08073	4.3
163.07521	7.7
170.08145	5.3
178.08627	11.3
182.08099	22.0
189.11456	3.6
195.08014	3.1
201.67860	3.7
206.08122	34.3
210.07587	4.2
218.08192	4.9
218.11809	3.9
236.09073	7.4
243.15776	3.6
248.09102	16.5
260.12805	6.2
265.10748	3.4
266.10278	8.9
283.11685	4.7
284.11270	31.9
323.01797	19.6
328.20114	3.4
422.17905	23.5
447.85614	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	420.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	18.1
69.03432	29.0
70.75182	15.4
73.02914	17.7
85.02899	39.5
87.04450	14.7
90.66942	4.6
91.05485	100.0
97.02892	50.5
98.21048	5.5
102.50475	5.2
115.03935	27.6
124.88864	4.7
127.03896	11.7
133.04944	31.8
150.07689	5.7
223.06062	6.2
248.03778	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	420.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
70.93153	24.9
70.93512	37.4
81.07066	19.7
82.39502	16.2
83.95029	17.0
87.96812	14.4
90.07632	14.9
93.07014	34.7
107.08642	21.9
135.11661	48.5
137.09605	37.6
149.13213	19.9
163.51125	18.7
168.76929	17.8
177.12727	69.9
181.08524	19.1
195.13811	100.0
208.19371	19.5
223.13271	67.0
241.14359	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	14.5
71.11037	14.1
71.11355	6.6
74.74036	6.3
76.13522	5.6
77.00614	8.0
79.05486	13.1
81.03400	11.0
81.07046	14.8
85.02907	15.6
91.05477	13.4
93.07034	11.2
95.04971	7.3
95.08599	7.7
97.02905	10.5
100.71545	6.1
103.17058	6.4
105.07005	7.3
107.04940	9.1
109.02897	6.4
121.06463	7.6
121.10165	6.4
122.03602	12.5
127.03871	13.3
127.07416	6.4
131.08565	6.0
137.05992	100.0
139.11148	9.8
151.07697	10.4
167.07024	16.3
259.13696	19.5
265.08685	7.1
281.76877	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	421.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.5
54.89727	2.5
55.01862	8.1
55.05264	3.1
55.05510	36.8
57.03430	14.4
57.07063	2.6
59.05006	3.1
60.91422	2.9
65.03949	4.0
67.05502	89.4
69.03418	8.5
69.07070	22.0
69.94306	16.8
71.04982	8.6
79.05493	57.9
81.03413	21.8
81.07052	57.6
83.04979	8.0
83.08614	18.5
83.85867	2.3
85.02901	4.7
85.06546	3.6
91.05482	66.2
93.07040	50.2
95.04966	84.2
95.08607	45.2
97.06509	7.2
97.10172	17.2
99.08146	2.7
105.07029	42.3
107.04946	30.3
107.08598	34.0
109.02850	2.6
109.06510	14.7
109.10148	40.7
111.08083	8.1
115.05493	4.0
116.06248	3.1
117.07022	25.0
119.04935	5.0
119.08589	30.0
121.06501	27.4
121.10120	23.5
123.08057	7.9
123.11678	3.7
125.09649	14.4
128.06216	6.2
129.06978	18.8
131.08568	28.2
133.06511	10.0
133.10139	20.5
135.08072	11.4
135.11711	6.7
137.05977	4.8
137.09616	13.9
139.11183	6.2
141.07004	5.7
142.07755	3.9
143.08543	16.2
145.06491	6.5
145.10109	20.8
147.08051	10.5
147.11670	12.1
149.09608	11.0
149.13281	7.6
155.08537	7.4
157.06526	4.1
157.10114	15.2
159.08051	8.3
159.11678	18.6
161.09610	11.1
161.10774	2.5
161.13223	3.6
163.11179	15.2
165.06920	3.0
165.09108	5.9
167.08578	6.1
169.10094	6.0
171.08087	3.2
171.11708	10.3
172.32896	2.7
173.09671	5.9
173.11772	6.9
173.13255	5.4
175.11195	9.7
175.14732	3.2
177.12709	5.4
181.12146	2.7
183.11795	5.0
185.09666	6.3
185.11508	2.4
185.13246	7.9
187.11194	8.0
187.14705	2.9
189.09099	12.6
189.11189	7.1
189.12758	5.1
193.12263	8.7
195.11755	4.8
197.13269	4.4
199.11198	7.5
199.14958	3.1
201.12703	4.1
203.10677	12.7
203.12636	5.6
205.12128	5.2
207.13696	3.9
209.13438	3.9
213.12616	3.0
215.14290	2.8
219.13799	3.1
223.13229	7.7
231.13780	5.4
231.99200	2.9
233.15567	3.4
233.92664	3.4
249.14925	9.7
263.16467	3.6
265.40729	2.9
283.20572	3.9
301.21588	8.3
311.20047	24.9
319.22583	3.2
329.21112	100.0
330.21310	5.7
347.22195	14.6
349.21719	3.1
367.22672	3.7
385.23697	6.6
403.24829	46.2
404.24762	3.8
421.22043	6.6
421.26205	44.8
421.30728	3.3
421.35074	5.0
422.26208	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	420.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.9
55.05514	2.2
57.03435	9.1
61.02924	5.5
65.03943	1.5
67.05502	1.4
69.03436	13.6
70.06593	1.9
71.01344	2.2
71.05001	2.3
71.56826	1.4
71.57186	1.6
73.02910	13.5
77.03075	1.2
81.03416	4.0
81.07051	1.5
83.04975	3.3
85.02905	34.8
87.04470	2.8
89.17207	1.4
91.05482	100.0
92.05801	2.1
97.02890	33.3
98.06054	2.0
101.06016	2.3
102.07941	1.2
103.03944	2.0
105.07063	2.6
107.04926	1.7
109.02885	3.1
109.10205	1.3
111.04463	2.0
115.03926	9.2
124.85138	1.4
127.03928	9.6
129.06961	2.5
132.06549	1.8
133.04958	12.2
133.06529	2.2
136.07579	2.2
137.05984	2.6
138.05545	3.8
143.00771	1.6
145.04970	12.7
145.06462	2.4
150.07631	2.3
153.01776	6.7
154.02176	1.6
163.03915	2.0
163.06056	2.1
176.10716	2.6
190.02600	1.3
223.05974	1.9
228.70409	1.4
240.12318	4.8
241.07021	2.1
244.80748	1.4
253.10823	1.6
258.11121	1.3
333.35614	1.9
392.49988	1.7
397.12497	1.5
402.12125	2.4
439.86432	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	5.3
62.50059	1.5
68.36074	2.0
69.23583	4.4
69.24002	16.3
71.15233	1.6
73.02916	12.3
121.02892	3.1
153.01807	5.6
157.52162	1.7
165.01846	3.5
167.07056	1.8
184.24490	1.6
203.72383	1.8
237.52902	2.0
238.69249	1.9
287.05508	100.0
288.05780	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1701
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
55.01847	17.4
69.03429	14.8
69.46574	6.9
71.09972	8.6
71.10303	9.0
79.05477	24.7
79.68729	7.7
81.03406	16.9
81.07049	13.9
83.04960	8.3
85.02877	8.4
90.83114	7.9
91.05468	22.0
93.07033	10.5
95.04942	14.1
95.08607	8.7
97.02890	12.0
97.06553	8.4
103.05471	9.1
105.07009	21.4
107.04932	29.2
109.02847	7.4
111.04452	6.7
115.05442	10.0
117.06999	11.6
121.02808	9.9
121.06484	8.7
123.04439	14.6
123.08061	8.2
127.03880	8.3
131.04958	12.3
131.08575	6.8
133.06444	14.0
133.10104	8.3
137.05989	12.4
139.03819	7.3
145.06471	28.6
147.04329	12.8
147.11749	8.6
149.06071	8.5
153.01782	7.9
153.05441	12.4
154.06126	8.3
156.05830	7.3
161.05946	15.6
162.06351	12.5
167.03419	8.1
167.07040	100.0
168.07445	33.3
169.07611	9.1
173.05980	28.8
175.07471	7.1
177.05457	11.8
180.07745	14.4
181.04985	62.5
181.08295	8.6
182.05287	14.0
187.07567	11.4
189.85985	6.4
190.06177	13.3
191.06981	17.7
192.07707	8.5
193.04852	7.9
193.08611	6.9
194.08896	8.8
203.06978	8.9
205.08560	28.4
209.08044	11.3
210.08725	7.3
217.08582	31.4
235.09447	8.8
287.05621	15.2
291.09927	9.5
315.08609	36.7
330.10773	45.9
351.12030	11.5
373.48038	7.3
383.15256	11.3
419.13669	13.1
419.18954	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1909
Annotation	Ascleposide B
Peak:m/z	Relative Intensity
53.03934	11.2
55.01858	11.8
55.05506	25.7
57.03428	4.0
67.05491	10.5
69.03432	24.0
69.50230	11.8
69.50658	10.5
70.07584	2.8
71.04991	22.0
79.05489	23.8
80.72980	2.7
81.03399	12.6
81.07034	3.7
83.04983	57.6
85.02905	26.7
91.05072	2.6
91.05488	26.3
93.07044	100.0
95.04985	16.0
95.08594	8.9
97.02895	15.0
97.06491	3.2
99.04455	10.6
101.05382	5.1
101.06016	67.7
105.04502	3.4
107.04967	4.2
109.02866	9.2
109.06499	5.3
111.04483	3.6
111.08080	26.5
121.06499	11.3
127.03904	11.3
128.15843	2.6
129.05481	10.5
129.06981	3.6
133.02817	4.0
133.06430	3.3
137.05937	5.6
139.07541	48.0
145.06563	2.7
147.06529	6.6
153.01874	3.9
157.08588	5.4
163.07497	3.4
167.07027	5.8
177.09148	3.3
189.55069	3.1
236.55524	3.0
249.11230	4.1
266.55032	2.6
283.11856	5.4
310.03171	3.0
383.17191	3.9
419.13864	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	420.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.1
56.05032	2.3
56.96575	2.1
57.03433	2.5
58.06585	1.4
58.99596	6.3
65.03944	5.5
66.49712	1.3
66.51694	1.3
67.05495	4.2
68.05043	1.3
69.03435	2.4
71.04990	5.1
72.01428	1.2
72.42456	1.2
74.00650	2.9
76.02232	11.2
76.03994	3.0
80.05018	4.5
81.03439	1.7
83.06093	2.7
84.04507	39.2
85.02902	2.4
86.00600	1.7
86.99072	4.4
91.05466	1.2
93.05777	2.2
93.07053	1.3
95.04955	14.8
96.08160	1.7
97.01111	18.1
97.02869	1.6
98.00624	1.6
98.97585	2.0
99.02667	6.1
102.05495	1.3
108.04485	7.2
108.08108	6.9
110.06071	1.7
110.07124	1.3
112.02181	2.1
112.03975	1.6
112.07598	2.1
113.05983	2.3
114.03740	15.7
116.01684	20.7
116.05312	17.5
119.01883	1.8
122.05934	1.2
125.04206	2.8
126.03749	15.2
127.02143	65.6
127.04548	3.7
128.05312	8.4
129.06615	2.7
130.05005	12.3
135.04439	1.2
136.07576	4.3
137.08362	19.9
142.03246	3.6
142.06859	9.1
144.01131	5.7
144.04738	2.2
145.03268	3.6
152.05302	11.0
153.01802	5.9
153.03696	5.4
154.06866	3.5
161.06885	1.3
162.02200	11.2
170.06354	90.6
171.04654	1.3
171.06743	2.2
177.03293	5.5
178.01709	1.5
179.04880	4.3
180.04840	2.0
181.06114	1.9
181.41771	1.3
185.03876	1.9
188.07272	1.3
198.05891	2.9
209.09286	1.9
211.04990	1.7
212.14040	1.5
227.08505	5.8
227.55966	1.5
231.04390	4.4
233.05911	3.9
236.07349	1.6
243.04346	1.6
255.08018	9.6
256.06412	4.7
273.09033	100.0
274.09393	2.3
299.10608	1.4
303.01306	2.1
327.10123	2.6
345.11163	6.2
402.13690	1.9
420.14444	2.5
420.20090	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24519	1.8
52.36261	2.0
68.86617	2.0
69.03426	3.2
69.81013	2.0
71.57623	3.5
71.57993	3.0
74.06310	2.2
83.13023	1.9
85.02896	3.9
91.05488	3.0
97.02894	2.4
107.04951	4.6
109.02857	2.6
140.04909	3.0
154.06602	2.3
155.06029	26.2
159.69373	2.1
167.07114	4.5
167.42300	2.1
168.06897	3.4
169.07597	45.5
170.05936	2.8
179.06018	14.4
181.04942	3.0
181.07637	4.8
183.05524	24.8
185.07091	13.0
193.07626	18.8
194.06007	4.1
195.05525	35.7
196.06293	16.5
197.07088	28.6
198.05502	5.4
201.06590	2.7
207.05571	9.0
209.07080	3.3
211.05107	2.5
211.08661	5.2
213.06569	28.9
221.07089	23.1
223.05101	3.6
225.06589	49.8
229.06091	22.8
237.06628	7.0
238.05249	6.3
238.07364	5.2
239.04398	2.5
239.08130	32.0
241.06122	4.5
243.07608	5.0
249.06618	13.2
253.06024	6.4
255.07613	3.3
256.06342	6.6
257.05518	6.4
267.07654	19.4
269.05560	4.3
271.07147	37.1
277.06168	11.3
283.07227	2.6
285.08691	44.0
286.09152	2.4
295.07172	36.6
312.09811	3.2
313.08139	53.9
331.09314	17.3
340.09277	6.8
354.10828	4.1
358.10327	56.6
372.11890	7.8
382.10278	11.8
400.11407	63.9
418.12405	100.0
419.12985	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	418.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16236	3.8
54.18037	4.0
55.05501	5.4
60.65947	4.8
68.85363	4.2
69.03435	12.9
69.91560	28.5
70.06591	5.9
72.97595	4.4
78.73112	4.2
81.03423	15.2
85.02914	21.9
97.02943	9.5
98.21616	4.4
99.29472	4.4
102.24139	4.5
103.05439	8.2
104.18481	5.0
114.60107	4.5
119.04988	5.0
120.08113	100.0
126.89038	5.1
127.03943	10.1
135.04437	4.6
137.05983	9.8
139.03839	4.8
147.04430	5.6
149.06042	8.3
153.01810	38.5
166.08646	66.0
186.98845	4.8
221.03238	8.7
238.10716	13.4
256.11838	25.6
281.35208	6.0
324.82245	4.7
374.16299	4.8
419.15244	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	419.0969
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
57.03423	2.3
59.05799	1.2
61.02927	1.4
63.25377	1.2
69.35081	5.5
69.35500	5.8
73.02912	10.8
75.80685	1.0
84.10637	1.1
98.20776	2.1
105.03397	1.1
121.02862	3.3
124.97852	1.1
133.02882	1.3
153.01828	5.4
153.33803	1.1
165.01810	2.8
213.05452	2.9
241.04942	2.2
258.05368	2.7
287.05484	100.0
353.49890	1.2
365.92181	1.3
444.83865	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03719	3.3
55.05501	7.0
55.89249	3.1
57.03431	12.6
69.03423	9.0
70.06585	14.0
70.92166	7.4
70.92504	3.9
71.04989	49.0
72.08164	4.1
73.02915	8.7
75.04475	7.7
79.05483	9.8
81.03409	15.3
81.07063	8.6
82.78341	3.4
83.04980	10.1
85.02908	100.0
86.09742	6.5
91.05478	35.1
91.87556	3.7
93.07043	7.3
95.04981	6.7
97.02914	17.0
97.06509	6.8
98.06083	5.8
99.04439	5.4
105.07035	9.5
107.04956	4.7
109.02876	9.6
109.06506	3.7
111.04487	6.5
116.07098	22.3
117.05579	7.6
121.02838	6.7
123.04478	5.6
127.03889	8.2
127.93818	3.4
129.05484	28.7
131.04959	3.7
133.39973	3.6
137.05969	6.0
145.05029	3.9
147.06548	15.5
147.08037	4.1
153.01869	7.3
161.05943	3.3
161.93930	3.7
167.07053	15.3
175.07622	4.2
230.84665	3.6
297.11548	4.2
303.41058	3.4
327.05017	17.3
394.21539	3.6
417.07983	7.9
417.17267	40.1
440.47314	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	417.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01861	0.6
57.03439	0.5
62.90748	0.4
63.33295	0.4
65.03945	2.4
65.33887	0.4
67.05489	1.6
69.03412	0.8
69.07056	1.2
69.93875	2.0
69.94291	0.8
70.80777	0.5
74.90538	0.4
78.04710	2.9
79.05492	3.6
81.03410	0.6
81.07044	1.9
82.03706	0.4
82.04191	1.0
83.08621	0.5
85.02902	2.6
91.05471	2.1
93.07030	1.2
93.65502	0.4
95.04974	2.1
95.08585	1.2
97.02906	0.7
97.06522	1.0
98.20828	0.6
103.05469	2.8
105.07006	1.2
106.04156	1.6
107.04942	4.8
107.08585	0.9
108.02036	0.6
109.02905	0.7
109.06485	0.5
109.10146	1.3
110.03658	1.0
111.04401	0.7
111.08087	0.5
111.70377	0.4
115.05450	3.4
117.07024	4.7
118.04159	0.5
119.04906	0.5
119.08575	0.8
121.10044	0.5
122.03568	0.5
123.04410	5.7
124.05217	3.4
125.06017	1.3
127.05438	0.8
131.04909	2.2
131.08586	0.5
132.05725	0.6
132.65190	0.4
133.06444	0.9
134.03609	0.8
137.05968	1.1
138.03105	1.0
139.46213	0.4
142.02621	0.8
145.06488	8.4
145.10123	0.6
146.03648	0.5
148.05199	1.0
151.03886	1.8
152.04666	1.8
153.05435	0.5
155.06017	2.2
161.05994	0.8
163.07538	1.7
167.07036	100.0
168.07384	1.8
171.06509	2.1
173.05980	12.8
175.07539	0.6
181.04951	35.9
182.05269	0.7
191.07030	5.9
195.06465	0.9
201.05362	0.4
205.08600	3.2
207.06442	0.9
212.14011	0.4
221.08090	0.6
233.08086	8.0
235.09625	4.4
237.22168	0.5
263.09341	0.4
280.07410	0.5
339.12262	0.5
344.12607	0.5
357.13519	0.6
367.11740	0.6
381.13416	1.2
387.14404	10.9
388.14746	0.6
399.14658	1.1
417.15390	19.8
418.15692	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1543
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
51.48080	0.4
53.03941	0.5
55.01870	0.7
55.05488	0.3
65.03938	2.4
67.05491	1.5
69.03418	0.6
69.07076	0.5
69.71246	2.6
77.03951	0.4
78.04704	2.9
78.77795	0.3
79.05107	0.4
79.05492	3.9
81.03423	1.1
81.07061	2.1
82.04208	0.7
85.02892	1.5
91.05480	2.7
93.03408	0.7
93.07040	0.7
95.04974	2.2
95.08604	0.8
97.06532	0.9
98.20765	0.9
103.05468	3.4
104.75400	0.4
105.03374	0.6
105.07021	1.4
106.04142	1.4
107.04960	5.1
107.08587	0.7
108.02152	0.4
109.02833	0.7
109.10151	0.7
110.03648	1.6
111.04452	0.5
115.05443	4.1
117.07029	4.8
119.08609	0.5
119.30266	0.4
120.05765	0.4
121.06453	0.7
121.10126	0.7
123.04433	6.7
124.05210	2.6
125.05993	1.4
125.09592	0.4
127.05434	0.8
131.04909	2.6
132.05678	0.8
133.02853	0.5
133.06505	0.7
133.10152	0.7
134.03590	0.7
135.04431	0.4
137.05991	1.3
138.03127	1.0
142.02580	1.1
144.05733	0.6
145.06483	9.2
145.10185	0.5
147.04442	0.5
147.07959	0.6
148.05194	1.2
151.03929	1.3
152.04637	2.1
153.05481	0.6
155.06027	2.0
157.10219	0.5
160.05186	0.7
161.06017	1.0
161.09583	0.4
163.07549	2.1
165.05574	0.5
167.07040	100.0
168.07394	1.7
171.06557	2.3
173.05984	13.7
175.07567	0.6
177.05518	0.4
181.04955	38.0
182.05415	0.5
187.03828	0.4
191.07036	5.6
195.06555	1.1
201.05458	0.8
205.08624	3.2
207.06490	0.5
217.08679	0.7
219.10106	0.4
221.08142	0.5
233.08083	7.5
235.09662	4.0
273.65958	0.4
299.01965	0.5
323.09213	0.5
344.12488	0.5
367.08041	0.8
381.13437	1.3
387.14438	12.1
388.14984	0.6
399.14294	0.9
417.15439	19.9
418.15762	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.5
53.03924	0.5
55.01846	0.6
55.05487	0.7
57.03423	0.5
65.03945	2.0
67.05497	1.8
68.98827	0.4
69.03413	0.6
71.02856	1.0
78.04703	2.6
79.05479	3.5
81.03403	0.6
81.07047	0.9
82.04206	0.7
83.04967	0.4
85.02929	1.8
91.05471	2.0
93.03394	0.5
93.07022	0.7
94.04211	0.5
95.04962	2.5
96.05740	0.5
97.06506	1.0
103.05479	2.9
105.03397	0.6
105.07018	0.7
106.04182	1.8
107.04967	4.8
108.02116	0.5
109.02901	0.5
110.03665	0.8
111.04442	0.9
115.05436	3.9
117.07004	6.1
122.03622	0.9
123.04428	7.1
123.05309	0.5
124.05222	3.6
125.05964	1.3
127.05442	0.8
130.04085	0.4
131.04941	2.0
132.05721	0.5
137.05963	0.5
138.03160	0.6
142.02618	1.2
144.05673	0.6
145.06479	8.7
147.08063	0.5
148.05223	1.4
149.05948	0.4
151.03908	1.6
152.04695	2.3
153.05450	0.7
155.06039	2.8
155.07199	0.5
158.03448	0.4
161.05989	1.2
163.07547	2.5
167.07034	100.0
168.07378	2.0
171.06525	2.5
173.05980	13.0
174.06615	0.5
175.07565	0.7
181.04955	35.1
190.06142	0.4
191.05374	0.7
191.07028	6.5
191.08597	0.6
193.08575	0.7
195.06483	1.0
201.05554	0.6
205.08559	2.9
207.10217	0.6
221.07953	0.6
233.08057	7.8
235.07542	0.6
235.09639	3.2
261.00287	0.8
307.09375	0.5
323.09155	0.5
339.27652	0.4
344.12473	0.4
353.10220	0.4
381.13617	0.7
385.12872	0.4
387.14362	12.4
399.14508	0.7
417.15445	20.3
418.15750	1.0
443.64444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	1.0
53.03925	1.4
55.01855	1.6
65.03926	2.9
66.04684	0.8
67.05509	2.2
68.99802	0.7
69.03402	0.9
69.07079	0.9
70.36880	0.7
70.68250	1.4
71.04958	1.1
77.03931	1.5
78.04704	4.9
79.05480	5.2
81.03419	1.7
81.07043	2.4
82.04198	1.5
85.02911	1.8
89.03929	2.1
90.04676	1.2
91.05446	5.4
93.03405	0.9
93.07032	1.5
95.04962	8.8
95.08602	1.4
97.06529	1.2
102.04703	1.4
103.05465	12.2
104.06249	7.9
105.03384	1.7
105.07030	14.0
106.04156	2.7
106.43871	0.7
107.04949	7.7
107.08559	1.0
108.02042	0.9
108.57013	0.8
109.02890	1.5
110.03687	0.9
111.04422	1.2
115.05455	10.1
117.03389	1.9
117.07012	6.4
118.04159	2.4
119.04916	2.5
119.08559	1.2
121.06467	2.3
123.04417	12.4
124.05196	3.1
125.05988	1.3
130.04144	1.7
131.04919	45.2
132.05705	45.3
133.02853	7.9
133.06496	13.3
135.04391	2.0
137.05922	2.9
142.02597	1.1
143.04938	1.2
144.05840	0.8
145.06454	9.5
146.03613	2.7
147.04414	3.5
148.01443	1.0
148.05179	2.4
149.02394	1.0
149.05989	4.8
151.03926	4.2
151.07481	1.3
152.04666	2.0
153.01793	0.9
155.06035	2.5
157.10121	1.1
159.04364	1.5
160.05182	16.9
161.02354	5.8
161.05972	44.2
162.06746	2.0
163.03864	3.5
163.05144	1.0
163.07536	2.8
165.01897	1.2
165.05495	3.6
167.07031	100.0
171.06483	2.1
173.05971	15.4
175.07578	4.9
176.04677	1.0
177.05461	8.8
178.06194	1.7
179.03386	5.7
179.07004	4.4
180.07848	4.7
181.04939	36.6
181.08415	1.9
182.09363	1.4
183.02783	0.9
189.01877	0.9
191.03368	0.8
191.07028	13.5
191.08585	1.3
192.07793	33.6
193.04959	1.1
193.08507	4.2
195.06471	1.3
201.05302	1.0
205.06729	1.2
205.08571	3.4
207.02876	11.9
209.04364	2.1
209.08086	1.5
210.08887	2.5
211.09558	1.6
217.08578	1.1
221.04233	1.0
221.06175	1.0
233.08046	8.1
235.09683	3.4
253.04945	1.1
255.06505	50.5
263.05383	1.1
265.08633	1.2
278.05676	1.2
279.06445	1.9
307.05960	1.5
339.08694	1.7
339.12402	1.0
349.06985	1.6
367.08096	70.7
368.08481	3.2
387.10553	1.6
387.14481	14.3
399.10635	4.4
417.11578	3.7
417.15872	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.0
53.03940	1.8
55.01875	2.0
55.05505	1.4
57.37488	0.6
58.12365	0.7
58.75898	0.8
65.03934	3.4
67.01845	1.0
67.05492	2.7
68.99787	1.2
69.03435	1.2
69.07067	1.2
69.93985	1.4
69.94412	2.4
70.87811	0.6
77.03930	2.1
78.04711	5.0
79.05500	5.6
81.03421	1.6
81.07040	2.5
82.04171	1.0
83.04982	0.7
83.08622	0.9
85.02891	1.9
87.13309	0.7
89.03912	1.2
90.04699	0.9
91.05479	7.8
93.03400	1.3
93.07037	2.0
95.04967	11.2
95.08604	2.2
97.06506	1.3
98.20869	0.7
102.04685	1.5
103.05463	14.7
104.06237	8.9
104.14973	0.6
105.03387	2.7
105.06388	1.2
105.07030	15.1
106.04163	2.1
107.04970	6.3
107.08615	1.6
109.02870	0.7
109.06518	0.9
109.10127	1.4
110.03648	0.9
111.04440	1.3
115.05444	11.0
117.03373	2.9
117.07010	5.7
118.04165	3.2
119.04930	2.6
119.08553	2.2
120.05746	0.7
121.06475	2.8
121.10084	1.0
122.03644	0.9
123.04420	14.1
124.05200	2.7
125.05973	2.3
127.05424	1.1
128.06169	1.0
129.06989	0.7
130.04138	2.5
131.04921	49.3
132.05708	50.7
133.02858	7.1
133.06508	14.3
133.10049	1.1
134.03638	1.5
135.04416	1.8
135.08133	0.8
135.11714	1.1
137.05991	3.3
138.03076	1.0
139.07506	0.8
143.04919	1.3
145.06487	8.2
145.10107	0.9
146.03638	3.5
147.04369	3.7
147.08008	0.9
147.11581	0.7
148.01578	1.5
148.05153	2.3
149.02264	1.2
149.05965	4.7
151.03909	4.2
151.07555	2.2
152.04659	2.2
153.01834	3.1
153.05434	0.8
155.06036	2.1
157.06491	1.1
159.04459	1.9
160.05191	16.3
161.02368	5.4
161.05977	39.9
162.03049	1.3
162.06679	1.2
163.03931	4.2
163.07550	3.6
165.01836	2.0
165.05473	3.9
167.07036	100.0
171.06523	1.9
173.05980	11.7
175.07545	5.9
176.04710	1.2
177.05478	10.0
178.06229	2.1
178.07697	0.7
179.03397	5.5
179.07042	3.6
180.07857	5.7
181.04945	36.5
181.08496	1.4
182.09413	1.3
187.07381	0.8
190.06131	0.8
191.03308	1.1
191.07016	13.3
192.07802	36.7
193.04941	1.1
193.08557	4.8
195.06465	1.5
201.05525	1.6
205.08594	2.3
207.02878	10.9
207.06474	1.1
209.04414	2.4
209.07967	1.6
210.08882	2.6
211.09575	1.0
217.08548	1.5
221.04280	1.0
223.05934	1.6
231.06262	0.7
233.08060	8.8
235.07574	0.9
235.09636	4.4
236.04677	0.8
250.06062	1.1
251.06915	1.3
255.06511	87.6
256.06943	2.0
263.05545	2.0
279.06570	2.1
279.09650	0.7
307.05869	1.0
309.04047	0.7
309.07681	0.9
321.07730	1.2
322.33124	0.8
335.05542	0.7
339.08615	2.5
339.12244	0.8
349.07053	1.5
353.10522	1.0
367.08096	74.8
368.08508	2.6
381.13297	1.6
384.08621	0.8
387.14413	13.2
399.10464	4.1
417.15933	19.7
417.24673	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.9
55.05505	1.9
58.23069	1.1
62.87504	1.1
65.03942	1.6
65.51839	1.3
67.05483	1.5
69.03411	1.6
69.62989	9.6
77.03926	2.6
78.04698	3.5
79.05491	4.2
81.03410	3.0
85.02896	2.4
89.03889	1.5
90.04668	1.8
91.05474	9.9
93.07045	2.7
95.04959	12.8
95.08600	2.2
97.02892	1.3
97.06540	2.1
102.04690	3.2
103.05471	13.9
104.06253	12.2
105.03387	2.6
105.07024	20.4
106.04178	1.8
107.04942	4.2
109.02865	2.8
112.14243	1.3
115.03856	1.1
115.05433	10.3
116.88643	1.3
117.03364	4.3
117.06957	1.8
118.04146	2.7
119.04924	4.8
121.02911	1.6
121.06494	3.6
123.04425	12.7
127.03904	2.6
130.04166	2.4
131.04927	59.3
131.08536	1.2
132.05713	59.0
132.06705	2.9
133.02858	10.8
133.06487	16.6
133.10071	1.3
135.04375	2.6
137.02425	1.3
137.05946	3.5
143.04929	2.7
145.06482	5.4
146.03629	5.0
147.04402	4.4
148.01500	2.5
148.05096	1.3
149.02394	1.9
149.05980	8.7
151.03900	5.3
151.07570	2.2
153.01811	3.2
155.05966	1.3
159.04460	2.0
160.05199	25.3
161.02383	8.3
161.05978	58.3
162.06602	2.3
163.03918	6.3
163.07564	2.4
165.01801	2.5
165.05453	5.1
167.07037	35.4
173.05986	5.0
175.07512	6.7
177.05453	14.6
178.06244	1.6
179.03389	11.8
179.07039	5.3
180.07828	7.7
181.04941	8.3
181.08482	2.1
182.09384	3.8
191.03384	2.0
191.07019	11.6
192.07808	44.1
193.05026	1.6
193.08543	4.7
205.04866	2.5
207.02888	17.6
208.03546	1.6
209.04393	4.0
209.08058	1.5
210.08852	3.4
211.09621	1.7
214.53955	1.3
217.08652	1.2
221.04462	3.4
223.05864	1.9
233.04352	2.0
233.08005	2.4
257.04440	1.4
261.05569	1.7
263.05435	2.8
273.07510	1.9
279.06537	2.4
303.04776	1.4
307.06174	2.2
321.07477	1.4
355.08041	1.7
367.08105	100.0
368.08441	3.4
373.08667	1.6
384.08261	1.2
387.10458	3.1
387.14655	2.7
399.06293	1.4
399.10730	6.2
417.11490	19.6
417.20706	2.1
438.71970	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80355	4.5
57.03426	5.1
69.03429	17.2
70.06604	10.1
71.56639	8.0
79.05499	11.4
81.03431	12.0
85.02920	16.8
91.05461	12.2
93.07027	9.3
95.04968	4.5
97.02900	10.1
99.04501	8.8
103.05487	5.0
105.07037	18.6
107.04949	11.4
109.02884	6.5
115.05460	4.8
117.05608	4.5
121.06541	20.8
127.03967	5.9
133.06497	15.6
149.06035	25.2
153.01767	7.8
155.98953	4.6
159.08156	6.3
161.05962	28.6
163.07571	7.3
167.07057	100.0
175.07574	7.3
177.05490	16.0
181.08600	28.5
193.08591	27.2
195.10252	15.1
209.08058	5.4
211.09660	53.9
236.12839	11.7
237.11160	28.2
254.13904	72.6
416.19205	13.4
424.29984	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	416.9865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41788	4.2
51.62278	4.6
52.11950	4.2
56.96566	42.6
57.53186	4.9
61.90096	4.3
67.22336	5.0
70.06588	8.4
71.56775	6.5
81.03412	6.0
85.02915	5.2
97.02897	18.0
98.97581	50.7
116.98618	76.1
119.01939	20.7
134.99657	84.1
137.02986	12.1
138.05392	4.9
146.99666	12.5
150.97636	4.2
153.00755	13.9
156.97464	24.6
158.01299	7.5
174.98569	45.9
177.00911	26.9
178.01097	7.2
179.00684	11.5
182.99051	16.1
190.43962	4.5
190.95413	6.1
194.99069	13.2
196.04568	5.7
198.98535	21.9
201.00125	20.2
213.00090	42.0
214.50818	5.3
216.99457	5.9
219.01942	28.3
220.02068	8.0
231.01363	10.7
232.96574	8.9
235.00084	5.3
236.99855	6.8
240.99541	9.6
243.01816	5.0
250.94347	5.6
250.97656	7.6
258.99890	14.7
260.00143	9.0
261.03073	59.7
262.03131	25.6
263.02924	14.5
273.03061	6.7
274.97522	54.3
276.97601	27.6
277.00934	33.5
278.01151	12.5
279.00879	8.7
283.00189	10.3
289.00806	5.4
289.67227	6.1
290.95404	6.3
292.95560	10.5
292.98608	32.7
294.98880	17.7
295.49097	5.5
300.97992	10.5
301.01578	100.0
303.01010	13.1
316.00079	5.5
316.95279	7.3
318.98581	17.6
319.02563	10.3
334.96277	11.5
357.04364	66.1
372.94672	5.3
374.96027	6.7
378.01529	6.4
391.50818	7.1
392.00772	10.1
402.01059	5.6
409.94809	5.8
416.98074	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	415.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	3.5
51.64071	2.2
53.03939	23.0
55.01864	22.5
55.05511	5.5
56.40874	2.5
56.53951	2.2
57.03428	5.5
60.80403	2.4
61.02916	4.0
64.24787	2.5
64.54128	2.4
65.03952	3.5
67.05486	5.8
69.03428	31.3
71.02704	3.1
71.03023	5.4
71.04990	23.6
73.02906	9.2
77.03917	2.7
78.05486	2.8
79.05489	100.0
81.03414	45.3
81.07055	7.2
83.04961	6.1
83.08630	4.1
85.02901	98.8
87.04452	6.4
91.05470	53.7
93.07038	80.4
95.04967	32.2
95.08605	5.1
97.02901	22.6
97.06528	13.1
99.04456	18.9
103.05470	3.4
105.07024	9.2
106.16512	2.6
106.95047	2.3
107.04950	8.0
107.08582	4.0
109.02860	25.6
109.06506	3.6
109.29036	2.4
111.04455	7.2
111.08071	18.5
112.14362	2.2
115.03930	9.6
117.07023	8.1
121.06502	29.2
123.04482	3.7
123.08097	5.5
125.06016	4.8
127.03922	24.7
129.07007	5.4
131.08530	6.5
131.86772	2.8
133.04965	17.9
133.06497	5.5
135.04414	3.2
135.08035	6.4
137.05977	4.3
139.07538	77.0
141.05460	6.0
143.03412	15.1
145.04979	5.6
145.06471	5.3
147.08061	5.1
149.05977	3.4
151.07558	8.7
153.01793	7.1
159.08046	6.0
163.07578	8.1
169.04976	7.3
173.09634	3.1
177.09166	2.7
179.07095	3.1
183.08086	2.4
187.07474	4.1
189.08977	3.9
205.08586	3.7
219.10175	2.5
229.08527	3.7
238.34047	2.9
253.10648	4.0
265.10696	16.8
328.00580	2.8
358.30051	2.8
415.19342	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	415.3203
Annotation	14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione
Peak:m/z	Relative Intensity
53.09077	3.2
55.01871	4.2
55.05516	17.3
57.07071	6.6
59.05007	4.2
67.05500	13.4
69.07056	12.0
70.00549	5.0
70.00956	12.4
73.25581	3.4
76.72338	3.9
79.05492	14.8
81.07057	32.8
83.04959	3.5
85.04566	3.0
91.05479	13.5
93.07040	49.2
95.08598	51.9
97.06522	3.9
98.20729	3.7
99.04468	7.1
101.06017	9.6
105.07026	34.8
107.08595	62.2
109.10160	35.0
117.07005	5.2
119.08566	37.1
121.06448	6.1
121.10145	48.1
123.11668	5.4
131.08589	13.7
133.10133	43.7
135.08054	6.9
135.11688	100.0
145.10141	19.0
147.11679	37.7
149.13281	18.8
159.11703	30.7
161.13251	22.7
163.11180	15.6
163.14816	4.7
171.11691	5.1
173.13319	15.0
175.11270	5.7
175.14822	11.1
177.12733	37.0
177.16412	5.2
181.12219	9.7
187.14836	13.9
189.16402	19.4
191.14394	3.9
191.17963	4.1
193.12254	7.3
195.13791	55.4
201.16373	26.2
203.17999	20.5
207.13783	15.5
209.15405	5.3
215.18048	6.7
219.17450	8.4
281.20471	3.5
289.21613	4.4
379.29892	9.7
397.30997	35.7
415.32175	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	415.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
64.46823	17.1
67.58203	18.5
70.06583	20.0
71.57149	24.9
73.58730	17.9
85.02903	35.9
97.02926	23.2
98.97567	26.2
116.98656	27.4
128.98753	19.2
132.77554	17.3
142.88954	18.4
145.32542	17.9
153.01892	92.7
253.04637	27.2
254.05438	18.7
344.40198	16.9
415.10236	100.0
425.62180	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1232
Annotation	Asperuloside
Peak:m/z	Relative Intensity
53.03949	0.8
55.01873	0.9
55.05505	0.6
60.30161	0.6
67.05489	1.4
69.03415	1.7
69.07045	0.7
70.06595	1.0
71.04970	0.7
71.57912	0.7
71.62910	0.5
73.92982	0.4
79.05508	1.2
79.20385	0.5
81.03415	1.0
81.07025	1.1
83.04981	1.2
85.02886	1.8
85.06538	0.9
91.05463	1.7
93.07071	0.9
95.04967	1.0
97.02874	1.2
97.06519	2.0
105.07026	1.3
107.04920	1.1
107.08611	0.8
109.02895	1.1
109.06532	0.7
109.10129	0.6
116.98640	0.6
119.08574	0.7
121.06475	0.8
121.10191	0.6
123.08065	0.8
126.40723	0.5
127.03899	1.8
131.08554	0.9
133.02856	0.5
133.10126	0.8
135.04315	0.6
136.05211	0.6
137.02393	0.6
145.06499	0.9
145.10172	0.9
146.03577	0.7
147.04344	0.7
149.02269	1.1
151.07536	0.7
153.01808	1.5
163.04002	0.7
164.04607	1.3
167.03403	1.4
167.07014	1.0
174.03123	1.2
175.03934	0.7
177.01842	1.9
179.03365	1.6
181.04953	1.0
189.38469	0.6
191.03432	3.3
192.04141	2.7
193.04890	1.3
195.02898	2.9
205.01315	23.9
207.02899	1.8
209.04398	3.2
219.02895	2.2
220.03645	17.3
223.02373	21.1
235.16986	0.9
236.84813	0.6
238.04720	15.8
253.07072	100.0
253.25729	0.5
254.07370	2.3
315.08585	0.8
325.06894	0.8
371.07629	1.3
415.10522	1.1
415.14972	1.5
415.19400	3.0
415.25049	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
55.05508	4.1
56.05007	3.2
57.03420	4.4
58.06584	5.4
61.02912	3.5
67.05502	7.0
69.03416	16.6
69.07024	5.0
69.44292	3.5
70.06567	6.0
70.95390	3.1
71.57320	4.9
75.92345	3.0
79.05492	7.3
80.45740	3.0
81.03418	7.7
81.07045	10.8
82.07345	3.6
83.04969	6.1
83.08581	3.9
84.04494	9.8
84.08118	4.1
85.02912	23.5
85.06538	4.9
86.06040	4.7
91.05484	9.1
93.07042	9.7
95.04948	4.5
95.08599	12.3
96.08134	3.9
97.02873	10.4
98.06049	5.2
105.07014	13.0
107.08610	21.2
108.08129	4.5
109.02879	4.5
109.06485	7.4
109.10123	20.8
110.06024	3.9
114.05482	3.7
119.08562	12.9
121.06489	4.9
121.10126	16.2
123.08056	8.7
123.11680	3.4
124.07573	13.4
126.05521	5.2
127.03899	4.3
131.08562	3.3
133.10136	62.7
135.07990	15.4
135.11662	18.4
136.11182	5.9
137.09610	35.7
137.66362	3.1
145.10164	5.3
147.11705	7.5
148.11084	3.5
149.09630	49.3
149.13173	8.8
150.12733	5.3
151.11198	12.4
153.01816	12.0
165.12737	6.3
173.13264	9.1
175.14813	8.6
178.12332	4.6
186.07645	10.1
191.14310	41.1
193.15883	9.3
195.13780	11.8
204.08690	19.7
207.02995	3.6
208.16801	6.1
209.15373	13.8
211.16817	7.0
216.11084	4.6
216.17471	7.2
234.18544	67.4
235.16945	4.0
240.78926	3.9
252.19569	100.0
369.45514	3.7
371.07443	18.5
380.96011	4.0
414.18744	5.0
414.24869	34.0
415.10074	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	415.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50809	3.9
56.96564	33.0
57.03432	5.6
64.10320	4.1
69.03429	20.1
71.56446	6.5
73.02937	5.3
81.03415	14.9
83.05013	4.7
85.02889	32.3
86.09713	6.1
91.05794	4.7
97.02897	28.0
98.97574	29.7
99.04472	5.3
101.00873	6.0
109.02888	11.0
114.29593	4.3
116.98611	23.8
119.01917	48.5
127.03893	10.1
128.98602	7.9
131.01904	23.5
133.03423	4.5
134.99655	17.6
137.02956	9.1
145.03462	21.8
146.99657	11.5
153.01814	61.9
153.02953	4.9
154.02226	5.6
155.01900	14.4
157.03473	11.2
161.01303	5.6
161.02945	19.4
163.04588	5.1
169.03476	6.0
173.02975	23.6
175.04453	6.1
177.00722	6.2
185.02953	24.7
190.98727	7.2
197.03015	13.3
199.04457	6.3
201.00734	5.5
203.03999	20.1
208.99747	5.2
209.02995	5.6
211.00859	39.3
215.03972	5.8
219.01801	15.4
221.05104	11.5
227.04053	9.4
229.01932	21.3
235.00850	6.3
237.02821	24.6
244.99753	9.3
245.05045	63.2
247.02924	28.8
249.02443	6.4
253.01949	16.2
263.00897	22.4
263.03540	6.6
263.06256	24.6
265.02069	4.6
271.02991	18.4
281.01773	7.1
285.04956	5.2
289.04358	6.2
295.02802	10.0
297.04642	6.5
301.03815	4.2
301.07443	5.2
303.01355	5.3
307.03061	13.9
311.06320	9.4
313.03833	6.2
315.05783	6.1
325.03986	10.2
337.04071	7.9
344.97650	6.6
355.05069	100.0
364.75992	4.2
372.76465	4.7
373.06091	71.1
396.07565	11.3
415.11707	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	413.2141
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
53.78989	0.3
69.03403	0.3
69.29420	0.4
69.74593	0.7
69.75002	1.6
77.42827	0.3
93.07006	0.6
96.48236	0.3
108.19476	0.4
121.10135	0.4
128.09213	0.3
130.52415	0.3
133.10112	0.6
143.01990	0.4
161.02896	0.5
190.36661	0.4
241.72791	0.4
251.14621	0.4
413.21414	100.0
414.21539	3.0
431.22040	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.05489	6.5
57.03428	3.2
57.07074	7.6
67.05503	19.9
69.03416	3.2
69.07072	11.9
69.34762	12.9
71.08633	1.8
79.05491	10.2
79.93583	1.4
81.03409	3.8
81.07056	75.0
83.08607	5.8
83.81670	1.3
85.02905	1.5
91.05479	5.2
92.78011	1.2
93.07041	13.8
95.08604	100.0
97.10145	2.2
105.07023	8.2
107.08591	11.7
109.10152	26.8
111.11740	2.6
117.07042	1.5
119.08578	7.4
121.10110	10.6
123.11709	21.1
127.03892	1.2
127.64265	1.3
128.27647	1.3
131.08575	3.2
132.20107	1.3
133.10136	5.8
135.11713	8.7
137.13255	73.5
139.14827	1.4
143.08546	1.5
145.10107	3.7
147.11697	4.6
149.13275	7.5
151.14812	6.1
157.10103	1.6
159.11700	4.9
161.13254	5.3
163.14799	3.9
169.09973	1.2
171.11722	2.1
173.13277	3.2
175.14755	1.7
177.12732	1.9
179.17970	2.2
185.13272	1.9
187.14842	1.8
189.16353	2.0
191.17999	2.7
193.19563	3.0
195.13797	2.7
199.14857	1.7
203.14326	1.4
217.19518	5.9
219.13719	2.0
227.18007	3.6
229.19632	3.0
233.15443	2.5
245.19009	9.4
257.18918	1.7
261.18539	2.8
263.20276	1.8
275.20001	2.4
367.33643	1.7
413.21494	4.4
413.34280	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.4
59.91268	5.2
62.97845	5.2
65.03940	7.6
67.05467	10.9
69.03419	10.2
71.56859	9.9
72.51115	4.7
74.82747	4.9
77.34499	5.0
80.39252	4.8
81.03379	7.4
83.04974	30.4
84.04484	29.9
85.02866	6.1
93.03382	9.3
95.04977	38.1
102.05582	5.5
103.05428	10.7
105.03419	5.2
105.07021	10.2
107.04955	13.7
107.25534	5.9
111.04459	41.8
120.08109	5.1
121.02861	9.0
123.04419	100.0
129.05469	16.5
130.06532	6.1
131.04929	9.0
133.02835	13.8
135.04396	15.8
139.03889	19.0
147.04424	6.0
148.07562	11.2
149.05946	12.2
151.03896	9.0
151.05894	5.4
152.07010	6.3
153.01801	6.4
157.05005	10.9
157.37134	5.8
158.06007	12.8
159.04422	8.1
161.05919	12.9
162.05400	11.0
163.03903	36.2
164.07076	10.6
165.07843	19.7
166.08617	10.1
176.07089	48.3
177.05501	16.5
178.05014	7.6
178.08588	11.7
179.03424	17.9
180.06519	8.7
186.05550	7.5
194.08159	23.4
204.06563	74.4
205.04945	13.5
222.07591	64.2
223.06030	8.3
240.08676	11.7
276.10532	5.7
325.09012	7.8
353.08435	5.9
396.12982	33.7
397.11340	7.3
414.14056	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01855	1.6
55.05508	27.0
57.03424	1.2
57.07079	2.4
66.73785	1.2
67.05499	8.6
69.03420	8.5
69.07069	7.8
69.94798	3.1
69.95209	4.8
70.06580	2.9
71.04983	3.7
73.02911	2.1
79.05499	9.3
81.03411	11.5
81.07049	19.1
82.06591	7.1
83.04971	13.7
83.08614	14.6
84.08147	1.5
85.02901	6.5
85.06551	6.5
91.05461	10.4
91.58145	1.8
93.07043	13.6
95.04953	11.3
95.08608	3.3
97.02892	5.4
97.06523	10.9
99.04453	9.1
100.07630	8.5
100.09448	1.5
100.11252	57.2
101.06025	1.8
101.11604	2.1
105.07028	19.4
107.04974	4.1
107.08596	15.7
109.02876	5.9
109.06510	12.4
110.06046	5.0
111.04438	12.5
111.08087	1.9
112.07616	3.0
117.07009	6.3
119.04955	3.5
119.08565	6.1
121.06514	8.8
121.10178	3.3
125.05986	7.8
126.09145	2.9
127.03925	4.1
127.07567	5.9
127.08625	1.9
128.06267	2.3
128.07106	10.0
129.05504	2.2
129.07037	3.0
130.07819	3.6
131.08545	8.2
133.06506	3.6
133.10135	5.4
135.08063	1.9
135.11702	3.2
137.05974	8.6
140.07077	3.1
141.07002	1.7
141.11462	9.2
141.61688	2.2
143.07016	4.0
143.08604	3.1
144.09346	1.6
145.04947	1.7
145.06444	2.4
145.10120	31.4
147.08037	3.2
147.11658	3.2
151.07590	3.8
153.01834	3.0
154.07767	1.9
155.06982	1.3
155.08582	2.3
155.11224	3.9
157.10123	2.4
158.07285	2.8
159.08061	3.6
159.11690	12.9
160.21915	1.4
161.09697	1.9
161.13239	1.9
163.07472	1.8
163.11180	17.1
166.15929	1.9
169.10101	3.6
171.08092	2.0
172.08937	2.2
173.09608	16.3
182.15405	37.2
183.15799	2.9
187.07634	1.6
187.11166	25.3
187.12816	1.8
191.10648	12.7
197.09683	1.6
199.18112	3.7
203.05254	2.8
205.12230	20.0
209.11748	5.0
209.16483	9.7
210.14880	48.4
211.15176	4.7
215.10660	17.5
218.66176	8.3
225.16032	1.3
226.19084	2.5
227.17590	5.9
228.15990	5.9
233.11717	13.2
245.18651	5.2
251.12776	8.3
251.16422	1.4
268.21472	19.4
268.71692	2.4
276.72794	4.2
282.19458	5.7
282.69556	3.2
303.80545	1.4
309.21786	1.7
326.28061	8.8
331.74625	14.5
332.24835	3.2
336.22928	3.9
337.21381	4.0
340.75302	4.4
341.25360	2.3
355.22211	2.2
395.16537	3.0
413.21512	100.0
414.21753	2.6
435.33362	4.6
436.32184	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1803
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
53.03936	23.0
55.01863	30.8
55.05505	34.7
57.03433	18.6
65.03938	11.6
67.05505	82.2
69.03437	55.6
69.07056	14.4
69.54440	57.8
71.01362	7.4
71.04996	37.7
73.02915	9.8
74.08257	6.4
79.05493	77.5
81.03416	75.1
81.07063	30.3
83.04980	62.1
85.02901	99.3
85.06534	47.6
87.04465	12.4
91.05486	63.1
93.07042	83.3
95.04963	100.0
95.08585	10.7
97.02902	31.1
97.06540	20.4
98.21471	14.4
99.04456	28.1
101.06018	17.6
103.05493	8.8
105.07022	30.2
107.04955	24.2
107.08599	16.5
109.02872	37.9
109.06506	13.1
111.04445	25.4
111.08085	21.0
113.06017	73.1
115.05437	10.4
115.07571	9.3
115.37283	6.0
117.07024	23.9
119.08588	26.5
121.06506	31.8
123.04449	12.8
123.08046	11.1
125.06050	8.7
127.03923	46.4
127.07628	8.5
128.06265	9.8
129.05463	8.7
129.06992	20.6
130.07782	7.1
131.04913	10.1
131.07031	56.8
131.08539	34.8
133.06482	19.9
133.10081	15.0
135.08064	11.9
137.05960	31.4
139.07544	32.4
141.06966	12.3
141.09161	7.0
143.08588	21.0
145.04955	11.6
145.06474	19.7
145.10123	28.1
147.08067	25.9
149.05997	20.4
149.09669	16.2
151.07573	16.8
153.01822	54.8
155.07199	7.5
155.08575	15.4
157.10141	11.4
159.08066	19.0
159.11725	17.7
161.09601	43.3
163.07510	11.1
163.11162	17.3
167.07115	13.9
169.10092	13.2
171.08031	15.1
171.11847	9.2
173.08211	9.3
173.09573	31.7
175.07579	11.0
175.11182	12.7
177.05566	6.6
177.09134	14.8
183.08122	7.2
185.09579	10.7
187.11186	27.4
189.09169	13.3
191.07002	8.0
191.10649	15.9
193.08461	7.9
199.06067	6.8
203.10675	15.3
205.12224	18.6
215.10625	21.2
221.11842	10.3
233.11699	52.4
250.24530	6.8
251.12764	80.8
259.22726	6.3
372.70691	6.6
377.16034	17.7
378.42392	6.7
380.29507	7.4
395.16995	13.3
413.17581	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1795
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
50.05526	1.3
50.45156	1.3
53.03933	3.7
55.01868	3.7
55.05496	4.2
57.03423	2.8
67.05500	13.5
69.03426	10.6
69.07060	3.1
69.93618	1.6
71.01347	1.7
71.04974	6.3
71.24200	1.7
79.05485	9.5
81.03417	11.5
81.07054	9.6
83.04990	10.4
85.02893	14.0
85.06534	5.5
87.04443	1.5
91.05480	12.0
91.13684	1.4
93.07044	15.9
95.03934	1.5
95.04964	16.5
95.08594	6.0
97.02888	6.3
97.06514	4.6
99.04426	4.2
101.06019	1.5
103.05463	3.3
105.07007	7.3
107.04937	5.2
107.08585	5.4
109.02851	9.6
109.06512	5.4
109.10161	2.6
111.04436	4.4
111.08076	3.1
113.06006	12.6
117.07005	4.9
119.04990	1.5
119.08575	3.1
121.02786	1.8
121.06490	5.0
121.10133	3.6
123.04430	2.9
125.02357	1.7
125.05988	2.5
125.40205	1.6
127.03906	7.2
127.07523	2.6
129.07004	1.6
131.04900	1.7
131.07013	5.0
131.08566	4.0
133.06436	2.8
133.10121	2.5
135.08044	2.7
135.11671	2.1
136.07516	1.7
137.05949	5.2
139.07521	4.0
141.06978	2.2
145.06433	1.8
145.10068	8.0
147.08011	2.4
149.05983	2.3
149.09610	2.5
151.07565	2.0
153.01816	2.4
159.06525	1.7
159.08119	3.4
159.11662	5.8
161.13309	1.6
163.07468	1.7
163.11133	3.7
166.87846	1.6
167.07150	2.1
169.10129	3.6
173.09628	4.6
175.07585	2.2
179.07030	2.2
187.11148	15.1
191.10620	1.5
205.12262	3.8
215.10667	5.1
221.07747	1.8
223.13272	2.6
233.11716	10.3
251.12752	29.6
395.16278	1.7
413.17743	100.0
414.18011	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	413.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
66.85670	1.0
69.03416	1.1
71.57607	1.9
74.73473	1.0
79.05474	1.2
81.03403	0.9
85.02885	2.3
92.94958	1.0
95.05035	1.1
97.02901	2.1
100.07553	1.0
108.08096	2.9
109.02969	0.9
111.83455	1.0
115.72323	1.0
121.43202	1.0
127.03911	1.4
152.07033	2.6
153.01814	3.8
205.04900	1.4
249.94206	1.2
317.66458	1.1
407.00470	1.1
410.37140	1.0
413.10516	100.0
413.19449	3.4
414.10828	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	413.1416
Annotation	t(6)a
Peak:m/z	Relative Intensity
51.72321	0.3
54.00487	0.3
56.05029	0.6
57.03434	0.4
61.02927	0.4
67.05458	0.4
67.93706	0.4
69.03431	0.8
69.58727	2.8
70.06590	0.5
71.51440	0.3
74.06074	2.6
81.03420	0.6
81.07047	0.4
83.04948	0.4
84.93648	0.3
85.02906	1.1
86.06102	0.4
91.05462	0.6
97.02892	0.7
99.04413	0.4
102.05506	0.9
103.65434	0.4
104.05329	0.4
109.02832	0.3
119.03539	2.5
120.06571	9.0
136.06181	100.0
137.04622	2.1
137.06624	0.5
150.67039	0.3
153.01802	1.6
162.04109	61.1
163.04431	0.5
166.36205	0.4
180.72505	0.4
268.10333	1.4
281.09927	41.7
282.10132	0.8
294.08267	0.5
413.14203	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	4.2
57.03437	6.2
63.79725	3.9
69.03407	12.9
69.07063	29.5
71.04994	68.3
71.56931	5.1
71.60141	4.1
73.02900	7.1
75.04491	5.5
79.05540	4.1
81.03409	8.8
83.04984	12.3
85.02422	9.1
85.02905	100.0
91.05480	5.7
93.07067	7.4
93.80836	4.6
95.08566	4.2
97.02922	8.9
98.97590	10.4
105.07025	5.7
107.08617	6.5
111.04438	8.8
119.08595	8.8
127.03944	8.7
129.05463	45.0
133.10162	6.0
145.04971	10.4
147.06532	16.6
147.11696	4.4
165.46867	4.3
174.12778	7.8
177.00731	6.2
189.12753	8.6
193.90512	4.7
210.56712	4.0
232.16997	14.5
250.18048	35.0
309.13852	5.0
346.82587	4.3
359.79709	4.2
412.19275	4.3
412.23413	31.4
413.21310	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01875	1.7
55.05509	4.4
56.05034	3.3
57.03429	0.8
57.07061	1.4
59.93462	0.3
60.04523	2.5
65.03931	0.6
66.16467	0.3
67.04250	0.5
67.05502	12.0
68.05021	0.9
69.03427	3.6
69.07069	2.8
69.28299	1.8
69.28725	1.6
70.06584	1.0
71.04989	2.7
71.08599	0.3
72.04513	0.6
77.03877	0.3
79.05491	13.2
80.05016	2.8
80.05786	0.3
81.03425	2.0
81.05796	2.4
81.06579	0.6
81.07054	11.1
82.06573	5.6
83.04989	0.8
83.08615	3.0
85.06533	1.3
87.04462	3.1
91.05479	6.3
93.05832	0.6
93.07041	22.6
94.06567	19.8
95.04968	4.4
95.08605	19.8
95.62582	0.3
96.08118	3.2
97.06537	5.0
97.10178	1.6
98.06049	0.4
98.09721	0.6
99.08100	0.3
100.07631	0.3
103.05470	1.0
103.43871	0.3
105.04523	0.5
105.07027	11.8
106.06532	0.7
106.34554	0.4
107.07334	3.7
107.08559	0.6
108.08130	0.4
109.10159	0.6
110.09682	10.7
111.08080	12.9
111.48191	0.3
112.11284	0.5
116.26116	0.3
119.08556	0.4
120.08104	0.8
121.10135	0.5
122.09667	33.9
123.08066	26.0
125.09575	0.4
128.10712	39.7
129.11082	0.3
133.10150	0.4
135.11703	0.4
140.10699	100.0
141.09105	9.1
141.11041	1.2
144.66989	0.3
145.10187	0.3
148.07666	0.3
158.11763	8.3
159.11687	0.4
187.60512	0.3
193.43201	0.3
254.24849	1.7
272.25858	5.9
278.28467	0.4
313.26041	0.3
314.26617	0.4
364.32074	0.9
376.32129	0.9
382.33194	3.5
394.33148	9.6
395.29297	0.4
412.28833	0.5
412.34201	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	411.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74210	22.1
56.96551	28.2
57.59003	28.9
69.03429	38.3
71.03451	57.1
81.03416	37.3
84.08161	27.1
85.02916	32.2
97.02872	31.5
99.04472	31.4
105.07018	36.8
116.10722	36.8
121.10041	22.7
121.25475	21.9
128.98613	28.1
133.06456	24.6
153.01834	66.0
237.02780	75.8
398.96225	27.2
411.10803	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
55.01882	7.0
55.05266	4.4
55.05512	75.0
56.01122	2.9
57.03423	12.2
57.07061	12.3
59.05005	3.6
67.05505	64.7
69.03426	9.5
69.07066	31.8
69.30983	34.8
71.04998	6.8
79.04203	3.5
79.05493	70.2
81.03413	8.6
81.06586	5.4
81.07054	100.0
83.04974	12.7
83.08617	33.1
85.06517	3.8
91.05471	24.3
93.07044	47.2
95.04961	16.0
95.08595	29.3
97.06517	15.0
97.10171	47.3
98.92351	3.5
99.08096	3.4
100.07611	7.7
105.07027	18.9
107.04915	3.3
107.08595	51.9
109.06512	5.8
109.10143	7.9
111.08080	6.8
117.07000	7.7
119.08608	5.8
121.10138	19.5
123.11652	7.3
125.09609	39.1
131.08551	11.8
133.10138	13.6
135.07996	3.6
135.11639	11.2
143.10616	6.1
149.13239	30.0
159.11681	13.0
159.59708	4.0
177.12766	9.6
193.12091	3.6
195.13795	17.8
199.13298	29.8
265.87491	3.3
269.17465	28.9
306.07266	3.5
362.24283	3.4
393.26257	9.1
411.27414	41.2
411.40405	7.1
430.35764	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47496	1.7
53.03934	7.4
55.01877	9.7
55.05510	86.0
57.03442	10.9
57.07075	3.3
57.48738	1.9
59.04990	2.0
59.58234	1.8
65.03933	3.6
67.05505	86.9
69.03432	3.8
69.07068	34.7
71.04978	7.8
79.05492	76.4
81.03412	4.0
81.07056	100.0
83.04984	13.7
83.08619	46.9
84.08161	2.5
85.06551	3.9
91.04960	3.4
91.05476	30.4
93.07045	62.3
93.07628	4.1
95.04957	11.0
95.08613	28.1
97.02879	2.2
97.06518	11.8
97.10172	51.8
98.21548	3.8
105.07027	18.3
107.08595	53.2
109.06524	4.7
109.10139	8.2
111.08067	7.5
117.07021	12.4
119.08589	6.8
121.06552	2.4
121.10143	18.5
123.11687	3.4
125.05983	1.8
125.08749	3.5
125.09628	44.4
128.92114	1.7
131.08554	10.8
133.10127	13.8
135.08040	3.9
135.11719	10.6
143.08554	3.0
143.10632	9.6
145.10107	4.3
147.11681	5.6
149.09648	3.8
149.13260	44.7
150.29938	2.1
159.11710	18.4
167.14282	2.4
175.11203	2.0
177.12793	10.9
195.13818	18.7
197.13202	2.3
199.13284	34.0
199.14958	3.1
213.14934	2.4
219.57950	2.0
253.96060	2.3
269.17468	28.4
357.76639	1.9
379.89963	2.3
380.56104	2.2
393.26602	9.6
393.31235	2.3
411.27524	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	4.2
57.03437	6.2
63.79725	3.9
69.03407	12.9
69.07063	29.5
71.04994	68.3
71.56931	5.1
71.60141	4.1
73.02900	7.1
75.04491	5.5
79.05540	4.1
81.03409	8.8
83.04984	12.3
85.02422	9.1
85.02905	100.0
91.05480	5.7
93.07067	7.4
93.80836	4.6
95.08566	4.2
97.02922	8.9
98.97590	10.4
105.07025	5.7
107.08617	6.5
111.04438	8.8
119.08595	8.8
127.03944	8.7
129.05463	45.0
133.10162	6.0
145.04971	10.4
147.06532	16.6
147.11696	4.4
165.46867	4.3
174.12778	7.8
177.00731	6.2
189.12753	8.6
193.90512	4.7
210.56712	4.0
232.16997	14.5
250.18048	35.0
309.13852	5.0
346.82587	4.3
359.79709	4.2
412.19275	4.3
412.23413	31.4
413.21310	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	25.0
66.17847	21.6
69.93636	43.2
69.94054	63.7
74.13370	21.3
75.63416	22.0
79.05498	23.5
81.07045	83.0
88.64007	20.4
91.05449	28.5
93.07034	82.0
94.21774	21.7
95.08617	100.0
105.07040	63.2
107.08550	55.6
109.10145	45.9
119.08578	74.6
121.10144	34.8
123.11710	33.7
131.08540	21.5
133.10117	36.0
135.11697	25.6
145.10104	26.7
149.13242	58.2
159.11681	36.1
161.13319	21.9
205.86031	20.8
218.27110	19.0
218.44498	22.0
260.90073	21.9
328.70529	21.2
346.20337	20.8
348.66913	23.0
409.23544	39.0
409.34641	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	410.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46743	1.9
51.71436	1.7
52.49539	1.9
55.76828	1.9
57.07069	2.2
61.29065	2.2
67.05496	11.7
69.07068	13.8
69.10759	2.1
70.77397	5.6
79.05478	6.2
81.07055	41.5
81.91086	2.0
84.75785	2.0
91.05508	2.5
93.07030	9.6
95.08605	23.2
99.71083	2.0
105.07017	4.7
107.08597	9.8
109.10162	14.2
110.39113	2.0
110.82858	1.8
119.08588	5.3
121.10149	9.9
122.07259	3.9
123.08055	9.4
123.11692	4.4
133.10141	4.2
135.08041	4.8
135.11697	5.3
137.06009	2.2
147.11725	2.4
149.13254	3.9
150.06732	10.7
151.07539	100.0
152.08154	6.3
161.13225	3.5
163.14786	3.2
165.09132	2.4
172.75990	2.2
175.07585	4.2
175.11127	2.4
177.09071	4.6
177.12773	2.2
177.16321	2.3
189.09067	32.2
191.10638	21.6
196.03238	2.0
203.10742	13.9
203.17932	3.5
204.11026	8.9
205.12239	2.6
206.12920	5.4
217.12202	3.3
217.19487	2.3
229.12344	3.4
231.13821	2.8
232.14192	2.7
410.31573	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.8
55.05510	21.3
57.07060	7.7
59.04966	2.3
60.26150	1.9
65.03947	2.2
67.05180	2.3
67.05503	29.6
69.03423	6.5
69.07060	15.4
71.04984	2.5
71.57999	3.3
71.68659	1.9
72.09183	1.8
79.05486	22.1
81.03425	3.5
81.06596	2.2
81.07059	37.1
83.04974	4.3
83.08608	2.8
85.06536	4.7
91.05479	34.1
93.07035	46.9
95.04967	47.6
95.08602	36.1
96.72150	1.9
97.06519	7.5
103.05440	5.1
105.07026	100.0
107.08591	32.9
108.05672	2.1
109.06525	12.5
109.10156	22.6
111.08049	4.3
115.05431	3.5
117.07001	18.1
119.08575	67.0
120.09380	2.0
121.06501	14.7
121.10125	18.3
123.08083	15.4
123.11642	3.7
123.62359	1.8
128.06175	3.9
129.06972	6.0
130.07748	3.9
131.08583	22.5
133.06465	5.2
133.10136	18.6
135.08041	11.4
135.11707	11.3
137.09598	11.6
137.13179	2.5
140.55724	1.8
141.06979	3.0
142.07756	12.2
143.08557	16.0
144.09201	2.6
145.10117	36.2
146.07161	2.0
147.08011	14.6
147.11684	46.3
149.09518	13.8
149.13255	3.8
151.07542	16.1
153.09119	2.9
155.08545	6.3
156.09288	7.3
157.10117	15.7
159.08076	4.5
159.11671	21.1
161.09636	6.0
161.13245	8.3
163.11177	4.4
163.14877	2.8
165.09122	29.8
167.08607	3.2
168.09308	2.9
168.43002	1.8
169.10123	8.3
171.11713	9.4
173.09579	5.8
173.13214	9.8
174.10358	2.8
175.11174	29.7
175.14816	4.0
177.09126	5.5
178.09819	2.6
179.08331	2.3
181.10141	4.3
181.12186	3.4
183.11627	11.4
185.13271	5.3
187.11211	4.8
187.14769	8.8
189.12744	6.6
189.16316	2.6
197.13269	4.5
199.11244	2.5
199.14806	4.6
201.12691	8.5
201.16374	6.9
203.14273	14.7
203.17819	2.4
207.11848	2.1
207.13747	6.2
209.13242	4.7
209.15173	3.5
211.14774	5.5
215.14349	3.3
219.13858	4.9
221.15340	57.8
229.15863	5.7
231.13730	2.6
231.17242	2.5
234.16100	13.7
239.17943	3.4
269.19064	2.7
286.19260	3.3
287.19986	9.1
300.20792	4.2
329.21182	4.9
391.26083	4.5
409.26920	26.7
409.34778	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	409.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94516	3.4
55.05499	15.8
57.03442	4.9
67.05496	33.0
69.03413	6.7
69.07066	11.7
69.80906	15.5
71.21945	3.5
75.24544	3.2
79.05496	21.1
81.07063	29.4
83.04948	4.8
91.05482	36.0
93.07044	37.3
95.04959	41.2
95.08611	39.6
97.06516	5.2
103.05466	3.6
105.07027	100.0
107.08598	31.2
109.06512	9.5
109.10144	15.3
110.47534	3.3
117.07013	15.8
119.07793	5.8
119.08575	66.7
121.06497	15.2
121.10131	21.8
123.08088	18.4
123.08846	3.5
128.06213	4.0
129.07027	4.9
130.07751	6.4
131.08563	19.2
133.06480	5.6
133.10121	17.0
135.08011	13.3
135.11682	5.8
137.09630	6.2
142.07771	7.9
143.08528	13.7
145.10107	37.5
146.10834	4.5
147.08047	14.4
147.11674	38.4
149.09624	12.0
151.07544	18.7
155.08517	7.3
156.09319	5.7
157.10199	23.4
159.08084	5.2
159.11708	15.3
161.09610	7.3
161.13213	7.1
165.09091	26.6
169.10126	12.2
171.11620	9.5
173.09645	5.9
173.13210	7.8
175.11194	26.1
177.09052	7.5
178.13126	4.2
181.10155	4.7
183.11636	10.6
187.11172	3.8
187.14749	4.4
189.12715	10.4
196.14464	3.6
199.11111	5.1
201.12714	11.5
203.14320	16.7
207.13799	10.7
209.13168	5.9
211.14877	5.7
219.13699	5.5
221.15384	56.1
223.14600	3.8
229.15929	8.3
233.15514	3.7
234.16116	12.2
281.20020	3.7
287.20108	7.0
316.74295	3.7
391.25891	4.7
409.27078	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
65.44669	5.1
69.03442	5.9
69.62795	37.1
70.06582	9.1
73.74110	4.9
77.66611	4.5
81.03396	8.9
83.38219	4.5
85.02893	8.9
95.60551	5.4
97.02876	9.0
100.72988	5.1
109.02867	8.4
112.07590	6.0
113.05971	6.0
125.02322	10.1
127.03912	6.8
135.04436	5.4
143.03403	5.5
153.00710	4.0
153.01826	100.0
171.02921	11.5
218.14836	4.9
297.05930	7.7
299.66119	4.8
315.07025	13.9
324.70584	5.2
390.13132	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	2.9
69.07069	5.1
71.04992	20.2
71.57861	3.2
72.32284	1.8
79.05503	2.5
81.03445	1.8
81.07056	3.6
85.02915	4.3
85.06558	2.2
85.63696	2.0
93.07063	4.4
95.04973	2.4
95.08620	7.5
97.06554	3.9
99.03837	4.3
99.04456	60.8
105.07037	2.7
107.08630	5.9
109.10171	5.6
113.09644	6.1
115.07568	3.8
119.08619	3.6
123.11742	2.9
125.09676	2.4
128.49463	1.9
131.51041	2.0
133.10107	3.6
135.11691	18.7
139.11299	2.1
141.12834	3.3
147.10497	1.9
151.14845	3.0
175.14825	6.6
193.15871	6.3
211.16928	100.0
212.17268	2.7
232.95631	2.0
310.79413	2.2
311.44577	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.7
70.06566	3.5
70.94073	4.3
70.94412	8.3
78.01823	3.6
81.07069	7.1
82.93136	3.2
83.08598	5.9
84.04501	9.7
85.02911	7.3
86.09698	4.6
86.99020	4.2
95.08617	4.4
96.22203	3.3
97.13798	3.3
99.08094	3.7
105.07036	6.0
108.91959	3.3
116.01698	9.9
127.03878	6.5
129.05472	6.7
131.04919	3.8
138.05370	3.1
147.06363	4.0
150.44679	3.7
162.02206	12.9
215.03206	3.5
245.04431	4.8
261.10739	7.5
262.10944	11.5
277.03342	16.8
285.08606	4.3
303.46014	3.4
313.07983	4.9
331.09229	8.7
349.10587	4.8
408.47266	4.0
409.05313	100.0
409.10214	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	409.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42931	0.7
58.84482	0.6
67.05509	1.0
68.54021	0.6
69.03422	1.2
69.62715	5.1
81.03422	1.4
81.07044	1.6
93.07059	0.7
95.04977	0.7
95.08620	1.1
97.02902	0.7
98.21541	1.2
105.07008	1.1
107.08627	0.9
109.02895	1.0
109.10199	1.2
113.50471	0.6
127.03936	0.8
135.08090	0.9
147.04399	0.9
151.07585	0.8
153.01854	1.6
162.06610	0.8
162.08011	0.7
173.05786	1.9
203.05286	2.8
229.12035	9.0
247.13019	3.6
312.25357	0.7
313.14444	0.8
392.97427	0.8
407.99918	1.0
409.18384	100.0
410.18787	2.7
433.28995	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.5
55.91630	3.5
56.96091	3.3
56.96557	7.9
57.03424	5.1
69.03423	10.7
70.06599	7.4
71.56994	5.5
73.02916	3.9
79.01311	3.5
81.03424	5.8
85.02895	17.7
91.05462	4.4
97.02890	10.0
98.97577	11.1
109.02905	5.2
116.98654	6.9
119.01932	10.9
127.03925	5.1
128.98639	8.9
131.01810	7.0
134.99622	7.8
143.01915	7.9
153.01848	36.8
155.01828	5.8
157.03528	4.0
161.01305	4.1
161.03023	8.5
163.03897	4.7
173.02887	4.9
177.00737	5.0
189.00688	5.3
204.05557	4.8
206.04381	8.6
215.04933	11.2
217.01971	5.8
228.05505	4.7
231.03438	4.5
237.02797	4.1
246.01631	100.0
246.05681	13.7
252.97954	5.9
257.56528	4.1
275.97156	11.1
307.05200	6.1
408.06891	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98346	3.3
66.92072	3.6
69.03417	10.1
69.87851	22.1
81.03402	12.4
85.02903	18.1
88.55731	4.1
97.02889	9.1
98.05958	3.4
104.08409	3.8
109.02850	6.3
114.05538	4.7
127.03905	11.6
141.27867	3.6
153.01817	100.0
153.03003	7.5
167.07079	4.0
171.02872	8.6
182.06316	4.6
218.02664	11.7
246.02174	11.1
246.07785	20.4
249.34039	3.7
260.54669	4.4
277.56552	5.1
297.05951	8.5
312.51074	4.2
312.93701	4.4
315.07086	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	407.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.7
55.05509	7.5
57.46251	4.1
69.03425	20.1
71.04973	5.3
71.23894	7.4
71.24244	4.2
79.05466	4.4
81.03387	7.1
81.07040	8.4
83.04977	40.7
85.02898	9.9
85.46595	3.7
91.05453	7.8
92.44429	4.2
93.07005	5.6
95.04948	5.0
97.02882	13.9
99.04440	14.9
103.03957	8.4
105.07027	8.1
107.08558	5.9
109.02855	13.6
109.06506	8.3
115.05436	5.8
119.08535	6.1
121.06509	4.6
127.03938	14.7
128.06209	9.4
129.07004	8.7
131.08606	5.7
135.08040	100.0
137.05956	8.5
141.07053	6.6
142.07787	10.0
143.08525	15.4
144.09227	5.2
145.10135	5.9
147.08040	6.6
149.09569	5.2
151.07477	4.7
153.07004	11.7
155.08528	7.0
156.09331	12.5
157.06477	4.9
157.10133	17.4
158.07265	9.9
159.08040	8.6
159.11678	8.8
165.06989	10.5
166.07721	6.8
167.07022	6.1
168.09296	7.6
169.06374	7.6
171.08031	15.8
171.11684	15.3
172.08813	13.5
173.09593	17.4
175.07475	6.7
181.04944	7.3
181.10205	6.2
183.11696	8.1
184.08891	10.8
185.09561	21.9
187.11171	18.1
196.65479	4.6
199.11153	57.5
203.10660	30.3
209.09673	12.2
212.08223	13.1
215.10669	81.9
217.12302	7.2
227.10635	57.3
233.11702	15.1
245.11720	84.2
263.12842	7.5
314.05151	4.0
371.14783	5.8
405.26614	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	406.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	9.3
57.03416	11.3
58.18860	5.2
58.78489	4.7
69.03416	9.9
69.07058	6.5
70.06612	9.2
70.71241	6.7
70.71585	16.2
71.04995	9.0
79.05505	29.5
81.07067	39.8
83.04975	8.2
85.02891	12.8
85.06532	11.4
91.05473	27.7
93.07037	19.5
95.04971	8.3
95.08583	13.2
97.02912	13.3
97.06502	7.9
99.08091	7.0
105.07001	10.6
107.04958	12.3
107.08569	70.8
109.06488	8.2
109.10169	12.8
119.08606	13.0
121.10153	23.7
123.08050	15.8
123.11697	8.9
124.03970	7.2
127.03915	10.3
131.08565	8.3
133.10161	8.6
135.08037	9.6
135.11620	8.7
137.05991	8.5
147.04349	5.6
149.13274	8.9
151.07602	6.5
151.11197	9.3
153.01843	6.2
153.05484	9.3
160.35072	5.7
161.05986	8.1
161.13275	12.1
163.07570	8.1
163.11119	6.5
163.14865	9.2
167.07014	14.6
173.13292	11.3
178.09860	8.3
179.07027	9.0
179.14316	69.2
181.08597	19.2
188.03758	100.0
189.04082	5.5
191.14244	31.6
194.09424	15.0
209.11722	89.2
209.15353	25.3
227.16428	20.1
314.06763	6.9
361.02237	30.2
379.03384	15.7
406.14737	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	406.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	5.5
57.03452	3.6
67.05490	6.7
69.03420	9.9
69.07058	8.7
69.53497	22.0
70.06577	6.7
71.04984	5.6
71.35321	3.1
72.08147	9.0
79.05505	5.5
81.03411	4.7
81.07030	9.7
83.04965	11.2
85.02919	16.4
86.09692	7.9
89.06061	3.9
91.05472	8.1
93.07048	8.4
95.04936	6.0
95.08604	10.2
97.02915	4.9
97.06519	4.5
99.04415	4.1
99.08078	3.1
105.07052	9.7
107.08567	9.3
109.02876	2.9
109.10178	14.6
116.57858	2.8
119.04901	3.7
119.08543	6.7
121.10145	99.7
123.08052	3.2
123.11741	5.2
127.03911	3.8
133.10124	8.8
135.08003	5.3
135.11714	5.9
136.07646	4.4
137.05983	8.8
137.09605	9.6
139.11168	5.3
140.14288	3.2
145.10159	3.1
147.11682	11.0
149.13205	7.5
151.07600	3.8
151.11139	7.3
152.07883	3.6
158.10840	3.9
161.09601	3.1
163.14926	6.9
169.12285	4.5
173.13312	16.1
183.14967	7.3
191.08101	3.5
191.14285	47.8
209.15355	33.5
211.09537	3.7
212.59529	2.9
222.61226	2.7
227.16423	100.0
229.23225	3.1
259.11139	3.2
262.15735	3.2
338.43665	3.0
361.04083	8.5
379.05124	5.0
384.05396	5.5
414.96002	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	406.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21259	2.9
55.05487	2.5
67.05510	2.8
69.03429	3.8
69.39978	17.3
69.40405	8.4
79.05481	3.1
81.03406	3.1
85.02895	11.0
85.06544	4.4
91.05492	6.3
93.07072	2.9
95.04950	3.0
95.08560	2.6
97.02882	4.6
105.07052	5.2
107.04951	5.5
113.08631	2.7
120.43206	3.0
121.06523	4.1
127.03890	3.5
137.06023	3.8
147.04439	4.5
149.09676	3.0
151.07545	5.3
151.28455	3.1
163.07478	6.3
166.06296	11.9
167.07004	3.8
168.07841	6.1
173.19742	2.7
177.05414	3.1
177.09200	3.8
178.09872	30.3
179.07033	11.1
179.10686	2.9
181.08588	90.5
183.36385	2.8
194.09370	17.5
209.11707	41.6
227.12784	100.0
302.17535	2.9
309.15250	2.8
361.04025	3.7
379.05255	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	405.1392
Annotation	10-Acetylmonomelittoside
Peak:m/z	Relative Intensity
56.05028	4.1
63.25900	3.8
69.03442	5.1
70.86272	12.9
71.64697	3.4
76.02236	4.4
79.01842	6.1
81.03385	6.0
81.07030	7.7
84.04478	5.2
85.02892	9.6
93.07022	5.0
95.04998	6.0
97.02859	6.3
109.02865	7.4
127.03944	9.3
139.07605	4.4
143.03447	6.7
151.07602	4.0
153.01834	100.0
156.08444	6.7
165.05606	5.5
167.07018	6.8
171.02887	6.8
259.11191	22.5
297.05948	6.0
315.07108	10.1
318.98566	4.8
373.12823	9.2
405.17487	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	406.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62041	0.7
54.71721	0.7
55.01871	2.4
55.05504	1.5
56.05037	5.5
57.03428	4.8
58.99590	10.7
68.05018	1.7
69.07073	1.7
69.98887	3.9
73.01141	1.9
74.00661	1.8
76.02225	21.0
76.04002	1.5
79.05501	3.4
81.07057	20.3
83.06104	1.9
84.04501	25.4
85.01123	4.1
86.00651	4.8
86.99051	6.0
87.02702	7.0
88.02209	1.9
88.48464	0.8
89.94388	0.9
93.07044	1.5
95.08602	4.3
97.01124	1.1
97.06532	2.0
98.09698	12.5
98.21471	1.2
99.05564	0.9
99.08113	5.1
102.05545	4.6
105.07034	2.2
110.09644	2.2
111.08101	1.4
112.03967	3.1
113.04233	6.0
114.03762	0.9
115.05766	1.5
116.01678	22.5
122.09686	1.8
123.08019	1.0
127.05807	1.5
129.06595	3.0
129.07436	1.0
130.05006	8.1
130.06891	3.9
130.08681	1.1
132.21149	0.7
139.05743	2.4
142.03183	2.0
144.01154	8.6
145.06024	1.2
156.08430	17.0
156.10201	12.4
157.06845	9.0
162.02202	23.7
164.89372	0.9
174.09467	15.1
179.04842	9.0
189.03346	1.9
210.11324	2.0
215.04861	1.6
216.06926	6.0
233.05936	3.1
242.08423	1.5
259.11118	100.0
260.11453	3.1
277.12305	0.9
285.12631	1.5
313.12115	3.4
331.13248	5.8
358.71713	1.0
388.15421	1.4
406.16660	1.7
406.24554	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.116
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	9.9
62.06099	12.9
67.22023	4.3
69.64128	31.6
71.66080	4.7
80.53721	5.2
81.03411	7.6
85.02908	15.6
97.65089	5.6
109.02896	8.6
111.72215	4.9
116.98611	4.8
119.01926	7.0
120.06613	4.4
127.03923	10.0
134.99695	5.1
135.04443	6.5
141.05334	4.9
153.01851	18.9
161.01224	5.6
163.03912	20.2
237.03049	6.8
248.98994	5.9
305.51477	5.0
345.09552	25.9
373.08826	8.7
405.11292	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.10292	2.0
57.03437	2.8
58.21225	2.3
58.66640	2.4
69.03425	11.2
70.06575	3.7
71.56837	4.3
73.02893	2.7
79.01842	5.9
81.03422	11.8
81.07070	3.2
85.02917	23.0
85.06533	3.0
91.05443	3.7
93.07049	3.6
95.04963	3.5
97.02882	11.0
97.06567	3.2
99.04447	3.5
107.01286	3.2
109.02855	9.5
125.02330	4.4
127.03947	16.5
141.05490	8.5
143.03348	6.6
145.04944	5.3
153.01840	100.0
167.06996	5.5
169.04982	17.0
171.02908	12.5
216.06619	2.9
243.14246	2.8
243.41649	2.7
259.11154	7.2
292.88693	2.1
315.07120	9.7
357.56799	2.3
400.66113	2.5
405.12796	3.0
405.17487	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81672	9.6
59.73656	9.6
60.73804	9.5
60.97711	9.1
63.35482	9.5
69.03426	16.7
69.76457	73.6
81.07059	17.0
81.49153	11.3
82.14056	10.4
83.04977	11.4
85.02905	33.3
86.45137	11.0
91.05479	14.9
91.76712	9.8
98.97576	9.9
105.07046	15.2
109.06494	12.8
119.08591	16.3
128.57463	10.4
138.70059	11.9
147.11673	16.7
165.09138	34.1
167.13660	11.7
171.11670	18.8
189.12752	43.0
193.08611	35.5
207.13809	27.7
213.41812	10.6
272.06424	11.5
360.13293	14.6
405.17331	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55601	17.5
69.03433	20.8
71.34201	37.2
81.07058	33.5
85.02908	79.6
87.24075	19.6
109.10194	22.4
119.08631	27.2
122.06048	25.8
123.11704	100.0
156.20448	19.7
170.66142	20.4
189.12753	38.4
196.90691	16.8
207.13780	50.5
234.84230	17.0
251.24440	21.9
386.18121	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.0
57.03425	2.7
67.05502	5.6
69.03428	7.5
69.07057	4.2
70.00968	12.2
79.05484	6.3
81.03407	7.0
81.07053	6.2
83.04977	16.4
83.75964	2.2
85.02901	14.7
91.05479	33.9
93.07031	6.3
95.04957	7.5
95.08623	5.8
97.02892	6.1
97.06531	8.0
99.04445	3.2
105.07032	8.7
107.08620	6.6
109.02873	4.0
109.06511	5.8
119.08595	8.3
121.10149	9.0
123.04491	2.2
123.08098	10.6
125.05997	33.7
129.06961	2.1
131.08551	6.1
133.10118	3.9
135.11728	5.3
137.05989	6.9
139.07536	4.4
145.04976	4.0
145.10127	8.6
147.08063	4.9
147.11716	4.5
151.07539	21.5
153.01820	13.4
156.09396	2.7
161.05968	2.3
161.13324	2.5
163.11179	100.0
167.07191	4.7
171.11685	2.7
181.05019	3.1
181.12274	12.3
188.66658	2.4
189.12756	9.5
207.10211	3.8
207.13791	10.2
225.14862	97.7
226.15172	3.4
233.08070	3.5
243.06593	4.6
387.19849	2.8
405.16486	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	404.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	15.5
55.01861	14.4
61.02921	12.1
65.38389	12.8
69.03425	49.6
71.12183	25.5
71.12524	18.3
72.55266	11.6
79.05476	16.0
81.03404	32.7
81.07047	24.8
83.04965	27.3
85.02897	68.8
87.04469	47.8
90.01902	28.0
91.05461	32.0
93.07030	36.8
95.04999	28.9
95.08637	14.6
97.02873	23.9
97.06541	15.7
98.20776	13.0
99.53535	13.9
105.07036	38.1
107.08626	18.6
109.02884	16.2
117.07007	23.0
119.08571	33.4
121.06503	26.3
121.10133	36.0
123.08088	16.8
125.06017	35.4
127.03885	31.6
133.10182	15.4
137.05956	39.8
139.11218	15.3
145.10172	16.5
147.11681	20.0
149.05853	15.7
150.06293	19.1
151.07568	34.3
152.05629	20.2
153.01816	56.6
161.06102	28.1
163.11203	74.1
167.07138	18.6
169.18178	14.2
175.07567	13.5
176.08362	23.2
181.04945	15.4
181.08592	24.3
182.08978	21.4
189.12759	15.9
207.10132	43.6
207.13795	48.5
209.08051	16.6
210.08356	16.8
225.14812	100.0
303.04852	17.0
377.01746	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79395	1.1
67.05493	2.4
69.03430	3.9
69.07066	1.4
71.57381	2.6
75.32850	1.3
79.01842	2.0
79.05511	2.9
81.03419	3.0
81.07053	3.5
83.04978	4.8
85.02899	7.4
89.06048	2.3
91.05475	6.8
91.60371	1.1
93.07046	2.5
93.77272	1.0
95.04976	1.8
95.08607	2.5
97.02883	3.2
101.05975	1.5
102.82189	1.1
103.05458	2.6
105.07020	4.9
107.04939	1.9
107.08602	3.2
109.02930	2.7
109.06501	1.8
114.06551	1.2
115.05461	2.2
116.45061	1.2
117.07014	2.4
119.08575	4.2
121.06503	4.3
121.10109	2.6
123.08067	3.3
125.02354	1.5
125.05991	5.5
127.03922	2.8
131.04892	1.8
131.08562	2.6
133.06500	9.3
137.05986	3.9
143.03438	2.4
145.04996	1.3
145.06467	2.9
145.10152	3.4
147.08064	4.6
147.11641	1.5
149.06015	2.5
151.07588	9.1
151.11214	2.7
153.01826	25.3
153.02998	1.9
154.02269	1.4
159.11613	1.3
161.05988	34.6
161.13242	1.9
163.07510	3.6
163.11188	18.7
167.07063	3.2
174.06902	1.2
175.07544	6.8
176.08325	77.8
177.05464	3.4
177.09093	7.2
181.04987	2.6
181.12207	3.2
189.12752	5.7
192.07805	6.1
207.10167	100.0
207.13531	10.1
216.80219	1.4
225.14864	24.9
226.98621	1.6
233.08107	1.9
303.05142	3.2
317.16556	1.2
377.01956	11.6
378.02219	1.9
387.14307	1.9
395.02682	6.6
396.03256	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.174
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	20.9
65.62118	1.2
69.26144	7.1
69.26574	4.1
71.95261	2.3
81.07060	1.7
82.74554	1.0
91.05489	2.2
93.07002	1.4
94.04167	1.8
98.97575	39.5
98.98195	2.1
116.98621	53.6
121.10188	1.7
122.03618	4.9
134.99655	63.9
137.05975	46.0
138.06342	1.3
140.00208	3.4
144.87859	1.1
153.00710	13.3
158.01196	5.8
176.07022	1.1
197.01250	3.4
224.09592	1.3
226.11153	13.3
235.02766	39.1
238.01500	4.1
243.80057	1.3
244.12173	13.7
253.03839	100.0
254.04243	3.5
268.12204	3.8
271.04779	8.3
276.05453	18.2
276.08279	1.9
280.12155	1.6
329.13437	1.3
344.15259	7.6
362.16360	2.5
372.09775	1.4
404.17459	55.2
405.17804	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1962
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
51.32173	6.8
52.14687	8.5
53.03934	18.4
55.01868	14.5
55.05503	18.5
57.03428	19.1
60.04517	9.7
60.14222	9.1
65.03962	10.2
67.05499	24.4
69.03421	37.6
69.93691	36.0
70.06592	39.4
71.04985	33.5
77.49447	8.3
79.05478	36.5
81.03419	25.8
81.07050	63.3
83.04967	22.5
85.02913	40.8
85.06538	78.3
86.09686	14.6
87.82518	7.9
91.05468	34.6
93.07043	87.0
95.04975	60.9
95.08646	19.0
97.02895	33.7
99.04446	100.0
99.08091	26.8
101.06007	15.2
103.07568	8.6
103.84568	8.2
105.07002	18.3
105.58842	8.0
107.04939	12.1
107.08580	22.3
109.02863	21.3
109.06516	32.7
111.08034	18.0
119.08556	13.4
121.06483	29.2
123.04389	12.5
123.08041	15.2
127.03870	24.2
131.04854	10.1
131.07014	11.5
133.10045	13.3
135.02946	7.8
135.08046	11.0
137.06000	37.2
139.07532	40.8
146.06033	15.8
147.04330	15.9
151.07538	16.1
151.11168	27.4
153.09064	12.9
161.05936	8.6
161.09605	10.3
163.11133	17.7
165.05524	14.1
167.07063	38.3
169.12207	26.7
181.12308	9.8
182.02086	8.6
190.68831	9.4
205.12183	13.1
207.06616	12.7
211.13301	82.8
223.13329	15.4
241.14322	11.8
280.64526	8.7
359.13171	14.2
385.15750	10.6
403.14316	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32173	6.8
52.14687	8.5
53.03934	18.4
55.01868	14.5
55.05503	18.5
57.03428	19.1
60.04517	9.7
60.14222	9.1
65.03962	10.2
67.05499	24.4
69.03421	37.6
69.93691	36.0
70.06592	39.4
71.04985	33.5
77.49447	8.3
79.05478	36.5
81.03419	25.8
81.07050	63.3
83.04967	22.5
85.02913	40.8
85.06538	78.3
86.09686	14.6
87.82518	7.9
91.05468	34.6
93.07043	87.0
95.04975	60.9
95.08646	19.0
97.02895	33.7
99.04446	100.0
99.08091	26.8
101.06007	15.2
103.07568	8.6
103.84568	8.2
105.07002	18.3
105.58842	8.0
107.04939	12.1
107.08580	22.3
109.02863	21.3
109.06516	32.7
111.08034	18.0
119.08556	13.4
121.06483	29.2
123.04389	12.5
123.08041	15.2
127.03870	24.2
131.04854	10.1
131.07014	11.5
133.10045	13.3
135.02946	7.8
135.08046	11.0
137.06000	37.2
139.07532	40.8
146.06033	15.8
147.04330	15.9
151.07538	16.1
151.11168	27.4
153.09064	12.9
161.05936	8.6
161.09605	10.3
163.11133	17.7
165.05524	14.1
167.07063	38.3
169.12207	26.7
181.12308	9.8
182.02086	8.6
190.68831	9.4
205.12183	13.1
207.06616	12.7
211.13301	82.8
223.13329	15.4
241.14322	11.8
280.64526	8.7
359.13171	14.2
385.15750	10.6
403.14316	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05522	13.9
69.03423	14.0
71.57568	12.2
72.08147	15.3
79.05485	18.0
81.03423	15.4
81.07077	13.2
82.53030	10.4
84.04459	9.7
85.02894	12.7
86.09737	9.3
87.91889	11.3
93.07050	9.1
95.04978	48.7
95.19282	10.2
97.02898	14.2
107.04930	18.8
124.03950	21.9
127.02142	36.9
127.03905	20.9
149.02345	14.4
163.03983	13.4
167.07086	24.9
168.07402	15.8
177.42534	11.2
193.66171	12.0
204.57561	14.9
209.04402	100.0
222.05782	12.9
222.11258	18.8
223.05977	17.6
224.09123	15.9
240.12383	22.0
249.08665	12.2
276.07608	12.1
292.10379	13.7
331.11270	18.9
336.09494	11.7
384.15311	46.8
402.13708	16.4
402.18594	16.5
403.15466	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	402.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.4
57.07073	1.3
58.64472	0.8
65.03936	1.5
67.05503	1.5
69.03428	1.1
69.07078	1.4
70.16367	1.4
70.16782	2.9
79.05495	3.5
81.03406	0.8
81.07059	2.9
83.04980	1.0
85.02887	2.6
91.05484	2.3
92.05800	0.8
93.07043	1.2
95.04969	2.5
95.08592	1.8
96.08092	0.8
97.02876	1.5
97.06540	0.9
97.43808	0.8
105.07024	1.9
107.04943	2.9
107.08594	2.0
108.05311	1.4
109.02880	1.9
109.10174	1.6
115.05450	1.1
117.07009	0.9
119.08549	1.4
121.02850	3.4
121.06534	1.3
121.10136	1.6
123.04460	1.0
124.05191	1.3
131.04871	0.8
131.08604	1.0
132.05312	0.8
137.05977	1.8
145.10191	0.8
149.02336	100.0
150.02689	2.9
153.05449	1.7
157.81453	0.9
161.06007	1.2
165.09134	1.5
167.03419	3.0
167.07036	12.7
168.07330	6.0
175.07584	1.7
177.05438	1.1
181.05011	4.1
182.05257	1.2
189.09154	1.3
205.08615	5.0
207.06512	1.2
214.46059	1.1
217.08588	1.2
218.08948	1.8
223.09627	8.8
235.42412	0.9
236.08029	1.3
247.09732	1.2
248.07901	1.4
249.08638	1.1
264.11008	1.2
265.08170	1.0
270.08557	1.4
275.70563	0.9
276.07410	0.9
277.08218	1.2
280.10513	1.1
281.07660	1.4
289.08081	1.0
292.10400	1.5
293.07950	1.4
295.09286	1.2
308.10150	1.1
316.08929	3.0
320.10168	1.1
324.09421	1.1
324.13129	1.7
331.11334	3.0
340.12747	1.0
343.11490	1.0
344.12027	1.5
352.12820	0.9
356.12100	2.3
374.12921	1.5
384.15298	4.5
402.16299	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	402.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10603	13.1
63.87308	12.0
69.03422	23.2
71.57413	17.8
71.57803	18.4
79.05466	16.8
81.07078	17.6
85.02882	34.3
91.05489	19.0
93.07065	21.8
105.07069	16.4
107.04942	14.0
107.08582	28.6
109.02874	19.7
110.07175	26.0
123.04400	16.8
127.20467	11.7
133.10124	20.9
135.11684	28.4
137.05960	17.2
166.08670	18.3
167.07039	22.5
179.10701	35.9
197.11786	100.0
240.15950	46.1
384.15094	34.7
402.17606	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	403.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32173	6.8
52.14687	8.5
53.03934	18.4
55.01868	14.5
55.05503	18.5
57.03428	19.1
60.04517	9.7
60.14222	9.1
65.03962	10.2
67.05499	24.4
69.03421	37.6
69.93691	36.0
70.06592	39.4
71.04985	33.5
77.49447	8.3
79.05478	36.5
81.03419	25.8
81.07050	63.3
83.04967	22.5
85.02913	40.8
85.06538	78.3
86.09686	14.6
87.82518	7.9
91.05468	34.6
93.07043	87.0
95.04975	60.9
95.08646	19.0
97.02895	33.7
99.04446	100.0
99.08091	26.8
101.06007	15.2
103.07568	8.6
103.84568	8.2
105.07002	18.3
105.58842	8.0
107.04939	12.1
107.08580	22.3
109.02863	21.3
109.06516	32.7
111.08034	18.0
119.08556	13.4
121.06483	29.2
123.04389	12.5
123.08041	15.2
127.03870	24.2
131.04854	10.1
131.07014	11.5
133.10045	13.3
135.02946	7.8
135.08046	11.0
137.06000	37.2
139.07532	40.8
146.06033	15.8
147.04330	15.9
151.07538	16.1
151.11168	27.4
153.09064	12.9
161.05936	8.6
161.09605	10.3
163.11133	17.7
165.05524	14.1
167.07063	38.3
169.12207	26.7
181.12308	9.8
182.02086	8.6
190.68831	9.4
205.12183	13.1
207.06616	12.7
211.13301	82.8
223.13329	15.4
241.14322	11.8
280.64526	8.7
359.13171	14.2
385.15750	10.6
403.14316	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3046
Annotation	DHEA ENANTHATE
Peak:m/z	Relative Intensity
54.97396	2.1
55.05508	5.9
57.07056	3.7
59.05002	4.7
67.05490	15.0
69.03434	3.8
69.07058	11.0
79.05487	15.5
81.07052	33.3
83.08611	4.4
85.06501	2.4
91.05463	13.7
93.07034	33.9
95.04957	2.7
95.08599	45.1
98.04221	2.2
105.07024	39.6
107.08586	74.6
109.06498	6.3
109.10141	39.5
111.08091	5.3
111.11731	3.1
117.07006	6.6
119.08572	33.8
121.10135	100.0
122.30521	2.4
123.08066	5.5
123.11720	9.3
127.11188	3.0
129.06972	2.8
131.08563	11.2
133.10114	44.8
135.08067	5.1
135.11667	22.0
137.09642	3.0
137.13210	5.3
143.08514	4.4
145.10106	20.0
147.11655	26.0
149.09628	4.7
149.13225	10.5
157.10127	4.7
159.11679	21.7
161.13264	14.1
163.11188	9.3
163.14790	17.2
165.09030	2.9
165.12737	2.9
167.10687	8.3
171.11679	3.3
173.13266	14.3
175.11256	5.6
175.14825	8.4
177.12755	4.7
177.16357	7.2
179.10718	4.9
181.12199	16.9
185.13217	6.2
187.14771	17.4
189.16370	15.6
193.12221	13.3
195.13684	5.0
197.13365	3.4
199.14851	3.8
201.16370	26.7
203.17934	9.0
207.13799	2.5
215.17984	10.2
219.17397	3.7
223.41064	2.8
225.16386	3.2
229.15620	2.8
279.21106	2.9
341.28372	5.9
365.28238	11.1
383.29398	34.6
401.25980	4.4
401.30579	18.5
401.38297	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	401.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
60.70096	19.5
64.59244	23.1
67.05523	23.0
69.07066	28.3
70.26418	100.0
81.07066	38.1
85.06547	98.6
90.08995	19.4
93.07033	58.7
95.08605	66.2
98.20818	22.0
104.01188	24.7
105.07029	36.6
107.08601	53.5
109.10170	48.3
121.10181	35.4
135.11671	28.9
141.12215	23.5
147.11685	25.7
185.76340	24.7
225.05756	21.9
350.92297	21.6
373.15213	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61357	1.9
53.03934	9.6
53.44337	1.9
55.01870	8.3
55.05509	44.8
57.03434	4.0
59.04991	4.2
61.02933	2.3
65.03924	2.3
66.12024	2.0
67.05518	2.6
69.03421	15.3
70.63923	5.9
71.04994	30.5
73.06572	2.3
79.05492	25.5
81.03410	13.7
81.07046	2.8
83.04981	100.0
85.02910	18.1
87.90853	2.0
91.05482	21.0
93.07037	37.2
95.04962	14.1
95.08609	3.9
97.02891	5.1
99.04456	7.9
101.06013	66.1
105.07035	3.2
107.04950	8.2
107.08601	2.4
109.02886	6.6
111.04414	4.7
111.08082	8.3
119.08521	2.3
121.06487	15.1
123.08058	2.1
127.03914	10.3
129.05492	21.3
129.06961	2.6
131.04984	2.6
131.08618	2.9
137.05934	3.6
139.07547	14.7
147.06516	11.5
152.04675	2.7
159.08093	3.5
161.05980	2.6
163.07588	5.1
167.07050	26.0
177.09142	4.1
187.07561	3.8
192.67010	2.7
205.08632	7.8
208.05197	3.3
216.01657	2.0
217.08675	3.4
236.08304	2.1
239.12813	5.9
265.10757	3.0
269.08008	4.0
271.09708	5.1
315.08557	8.9
330.10925	14.8
331.11841	4.1
351.12088	4.7
376.07367	2.1
383.14886	7.6
401.13928	8.6
401.18124	7.3
409.84561	2.5
413.86893	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	20.9
55.79987	9.3
57.07073	9.6
62.01852	8.7
63.04579	8.2
67.05505	27.3
69.07063	30.6
71.05003	12.9
71.46520	7.9
71.58582	18.2
78.75292	8.3
79.05489	30.0
81.07057	41.6
83.08614	11.7
91.05492	61.2
93.07040	60.8
95.08604	48.5
105.07032	97.8
107.08612	62.6
109.06479	57.0
109.10163	33.0
111.08076	11.8
114.40717	8.7
115.05408	10.4
117.07006	24.0
119.08590	78.7
121.10165	32.3
128.06232	18.3
129.07027	20.8
130.07782	9.9
131.08582	71.6
133.10115	98.9
135.08121	12.2
135.11743	19.4
141.06947	14.3
142.07799	26.9
143.08549	46.5
145.10109	100.0
147.11681	21.6
155.08517	19.3
156.09386	14.7
157.10123	67.8
159.08192	14.0
159.11658	49.4
165.06990	11.8
167.08522	15.2
168.09258	12.3
169.10136	21.3
170.10867	9.7
171.11642	20.1
171.62369	9.7
172.86722	9.6
173.13284	36.7
175.14777	15.1
181.10147	15.9
183.11725	33.0
185.13289	14.1
187.14848	51.1
189.12740	9.5
194.10892	11.3
195.11739	11.1
197.13243	20.0
199.14891	18.7
206.11018	14.6
207.11707	13.7
209.13242	28.7
211.14813	10.8
216.54512	9.7
221.13232	22.0
223.14807	14.6
223.23401	9.8
239.18062	10.0
251.17891	16.2
265.19434	16.4
279.13556	10.6
279.16772	8.6
383.29242	15.8
401.17941	10.4
401.28226	29.3
401.38440	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	401.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.8
55.05520	4.9
65.03937	3.0
67.05502	5.6
69.03405	5.2
69.07061	5.7
69.43677	21.7
71.04999	3.1
78.04706	3.1
79.05482	21.8
81.07061	12.6
83.04963	3.1
85.02908	3.2
91.05478	12.9
93.07029	8.3
95.04955	10.8
95.08592	8.7
103.05456	5.3
105.07016	7.3
107.04948	29.5
107.08565	6.2
109.02863	3.4
109.06483	3.0
109.10157	6.5
115.05450	6.9
117.07008	2.9
119.08553	6.7
121.06495	7.1
121.10127	3.7
123.04437	6.8
123.08032	2.7
124.05194	8.5
125.06004	4.5
125.09597	3.2
128.06207	6.4
129.06993	10.3
131.04904	3.7
131.08554	14.1
132.05695	3.6
133.06470	4.4
133.10133	5.0
137.05966	4.2
138.03067	2.4
141.06992	5.0
144.05695	6.5
145.06465	10.0
145.10085	4.0
147.11656	3.6
151.03876	2.9
151.07582	2.8
152.04727	3.6
153.01707	3.2
153.05431	4.7
153.06761	2.5
155.08527	2.6
156.05708	12.0
157.10085	2.9
158.07289	3.9
159.08054	15.7
161.05995	5.2
163.03922	3.5
165.06938	3.6
165.09091	4.3
165.70456	2.5
167.07040	100.0
169.06454	2.8
173.05989	6.5
173.09709	2.8
177.05432	6.3
177.08910	2.5
179.07059	3.4
181.04927	11.3
181.08649	3.4
184.05269	3.7
186.06844	3.3
187.07527	8.6
190.07793	2.7
191.03287	2.8
191.06995	6.2
193.06477	4.3
193.08540	3.3
195.06493	3.5
195.08064	2.5
199.07492	2.8
202.06148	4.7
202.07864	3.7
205.06686	4.9
205.08601	16.7
207.06450	5.7
207.08186	2.7
207.09909	2.4
208.05179	20.7
210.06743	3.6
211.07616	7.4
217.08578	31.0
218.07248	3.9
219.08049	11.9
219.10144	8.8
220.08810	5.4
221.06128	12.8
223.07545	4.3
229.08609	6.7
231.07988	7.6
231.10130	5.5
233.09602	4.5
234.06700	3.3
235.07594	5.9
236.04623	7.8
236.08302	2.7
238.06302	3.3
239.06975	7.5
246.06683	3.8
247.07663	15.1
247.09618	15.2
248.08292	11.7
249.05511	3.0
249.09053	4.0
250.06172	2.5
254.05742	5.4
258.06662	2.7
259.07529	4.9
260.08392	3.7
261.09091	5.9
262.09827	3.8
263.07080	3.3
263.10602	7.2
264.07748	7.5
265.08588	7.2
267.06509	10.3
269.08121	18.7
271.09616	8.0
275.06982	6.0
276.07782	8.1
277.08557	7.0
279.06772	3.1
279.10107	10.0
281.08041	5.5
282.05579	3.6
282.08875	11.0
290.09390	4.9
291.10071	14.3
292.07217	2.6
293.08035	8.2
293.11566	2.3
295.06052	7.3
297.07559	4.4
299.01932	5.0
299.09088	5.1
301.07004	4.9
305.08090	3.6
307.09488	12.8
308.10449	5.6
309.11157	2.9
310.08319	9.3
311.09082	2.7
313.06915	3.8
315.08566	52.5
316.08792	2.5
318.08524	2.5
319.09619	8.5
321.07458	4.4
322.08337	3.7
322.12051	4.8
323.05396	7.5
323.09216	5.1
323.12601	13.2
325.07068	4.5
328.09329	2.9
330.10947	58.1
331.11615	11.8
336.09784	4.8
337.10495	7.6
339.12204	8.4
341.06592	4.2
343.11731	20.2
351.12274	27.3
352.12924	5.2
353.10065	5.6
355.08139	2.9
356.12418	3.6
368.12634	7.8
369.05957	4.0
369.13177	7.4
371.14911	3.2
373.12695	3.1
373.83594	2.5
383.07275	3.8
383.14911	49.2
384.15253	3.1
401.11526	5.5
401.16574	17.2
401.21112	3.9
401.30841	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	401.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.2
55.05494	3.3
68.28851	3.7
69.03419	9.6
70.83462	4.2
70.83785	9.6
71.04987	5.3
79.05507	23.1
81.03425	5.2
81.07035	5.0
85.02909	4.0
85.36067	3.6
91.05502	10.6
93.07021	7.6
95.04974	8.6
105.07035	7.4
107.04923	32.9
109.02880	4.2
117.07007	6.5
119.08598	5.1
121.02888	9.0
121.06557	5.3
121.10197	3.9
123.04401	5.1
124.05209	9.1
125.05996	4.0
127.03876	4.4
129.07010	4.8
131.08585	10.5
139.07593	3.9
141.06978	7.9
144.05701	8.4
145.06497	7.3
152.04721	4.3
152.06143	4.1
153.01846	8.3
153.05408	5.5
156.05670	14.2
157.06503	3.9
159.08086	16.7
165.07011	4.7
167.07043	100.0
169.06430	5.5
173.06038	6.9
178.07785	4.2
187.07558	9.2
193.08617	5.8
202.06148	5.2
205.08583	13.6
207.06482	6.7
208.05254	21.1
208.08894	4.8
209.05954	4.7
217.08585	27.6
218.07262	4.2
219.08058	13.8
219.10101	10.2
220.08885	7.3
221.06024	7.1
229.08611	7.5
231.08018	8.5
233.06113	4.5
233.09703	4.1
234.06879	4.6
235.07568	8.9
236.04704	6.9
236.08328	8.0
237.08998	4.1
238.38652	3.5
239.07072	7.1
240.04219	5.9
245.09648	5.8
246.06885	3.9
247.07564	19.9
247.09601	18.0
248.08304	14.2
249.09094	5.1
250.06264	6.9
251.10742	3.7
254.05655	4.2
256.07394	3.7
257.04416	4.6
259.07626	7.5
260.08206	6.0
261.09225	8.9
263.10666	10.2
264.07782	11.1
265.08615	12.5
267.06482	8.7
268.03574	5.0
269.08212	19.8
271.09821	7.2
275.07126	6.9
276.07809	13.2
277.08591	6.7
278.05905	4.7
279.10159	11.4
282.05823	5.0
282.08871	19.4
284.06610	4.1
290.09277	8.7
291.10123	23.0
292.07376	9.4
293.08188	8.7
295.09543	4.0
297.11212	6.9
299.05579	16.5
299.09161	18.1
301.07074	5.8
307.09747	13.2
308.10403	7.2
309.07919	4.9
309.11179	6.2
310.08405	10.8
311.05576	5.9
313.10718	14.4
315.08600	67.9
316.08984	5.4
319.09674	7.5
321.07684	4.9
323.12659	21.4
325.10754	8.7
328.09454	7.0
330.10910	74.9
331.11713	11.9
336.09842	6.3
337.07144	5.3
337.10721	8.8
339.12247	14.8
343.11829	37.1
351.12231	26.2
353.06418	7.4
353.10318	11.1
358.14114	42.9
368.12546	10.8
369.13287	10.2
371.14691	8.3
383.07669	8.1
383.14899	62.6
401.15900	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	401.1594
Annotation	Gomisin R
Peak:m/z	Relative Intensity
55.01884	2.6
55.05500	4.6
65.03925	3.5
65.42371	2.2
67.05496	8.3
69.03412	4.4
69.07062	4.5
70.87862	7.7
71.05003	3.4
79.05482	13.3
80.12276	2.3
81.03425	2.9
81.07053	13.6
81.59578	2.2
85.02915	3.8
85.06554	3.1
91.05473	9.7
93.07048	5.2
95.04977	7.7
95.08594	7.0
97.06522	5.6
98.46310	2.0
103.05496	3.5
105.03294	2.1
105.07024	9.6
106.82173	2.4
107.04957	26.4
107.08603	4.9
109.02882	3.2
109.06497	2.5
109.10159	3.9
111.04542	2.9
115.05450	3.2
116.06234	2.8
117.07009	5.8
119.08560	5.3
121.06547	2.9
121.10124	5.3
122.09447	2.1
123.04434	8.8
123.07980	2.5
124.05207	7.0
125.05999	2.7
129.07033	4.6
130.07803	2.4
131.04906	3.6
131.08575	8.6
132.05669	2.7
133.06471	4.2
133.10097	3.5
135.11661	3.7
137.04207	2.8
137.05959	4.2
137.09633	4.9
141.07033	5.3
143.04887	2.3
143.08588	2.6
144.05678	5.5
145.06523	5.6
146.07295	2.1
147.04431	2.6
147.08118	2.2
147.11684	5.0
149.02319	13.6
149.05940	2.7
151.07558	3.3
152.04630	3.6
156.05730	8.0
158.07280	2.5
159.08044	13.6
161.05956	2.9
163.03952	5.5
163.07668	2.2
165.07030	3.1
165.09116	7.2
167.03337	3.0
167.07042	100.0
171.08086	2.2
173.06026	3.9
175.07578	9.1
177.05496	5.1
181.05003	6.9
183.06540	2.9
184.05209	3.6
186.06885	3.1
187.07535	5.6
191.07025	5.1
193.08615	2.9
194.07359	3.5
195.06516	2.9
195.08170	4.1
201.09006	2.9
202.06183	4.4
203.08641	3.6
205.06630	5.2
205.08629	9.9
206.07433	2.5
207.06433	5.3
207.08199	2.6
208.05209	10.2
208.08907	2.6
209.07890	2.6
211.07520	2.6
217.08601	19.9
218.07358	5.1
219.08070	9.5
219.10214	6.9
220.08873	5.6
221.06032	5.5
222.06740	3.1
224.08189	3.1
229.08652	4.0
231.08148	4.4
231.10222	2.8
233.06020	4.5
233.09819	3.1
235.07489	5.3
236.04739	3.7
236.08250	2.9
239.07040	3.5
247.07648	11.1
247.09607	12.8
248.08374	9.9
249.05493	3.3
249.09105	4.0
250.06248	3.4
251.07063	4.3
251.10898	2.8
252.07910	4.6
253.08554	2.3
254.05772	4.7
254.09605	2.4
259.07651	4.2
261.09152	5.1
262.06424	2.6
262.09692	3.0
263.06979	6.3
263.10648	7.5
264.07736	6.4
265.08609	6.2
266.09464	2.6
267.06543	8.1
267.10031	4.0
269.07986	14.5
271.09604	4.6
275.07120	4.2
276.07758	8.3
277.08594	7.7
279.06689	3.8
279.10123	6.0
280.07269	7.0
280.10751	2.1
281.08075	4.2
282.08823	9.0
290.09152	4.6
291.06839	3.6
291.10101	11.2
292.07300	5.1
293.08072	9.3
295.09567	6.9
297.07343	2.9
297.11343	2.4
299.09192	3.9
305.08383	4.3
307.09674	7.2
308.06906	2.4
308.10339	5.2
309.07532	2.8
310.08395	7.3
311.12827	2.4
315.08521	28.7
319.09549	6.3
321.07608	5.4
323.09109	11.0
323.12863	16.0
325.10733	3.7
328.09753	3.2
329.13950	4.9
330.10965	38.5
331.12048	4.7
336.09927	3.0
337.10638	7.1
339.12271	5.6
341.13745	3.1
342.96783	2.7
343.11899	13.5
351.12326	18.2
352.12930	3.2
353.10266	3.3
355.11682	15.6
368.12595	7.2
369.13629	3.0
370.87979	2.3
371.14795	3.8
373.12793	9.5
383.14859	41.3
384.15073	3.2
401.16061	59.8
401.21036	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	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	9.9
67.05514	6.8
70.73565	21.4
79.05502	21.7
81.03407	7.0
81.07060	10.9
85.02927	7.6
91.05482	14.6
93.07030	8.2
95.04962	8.7
95.08627	6.9
105.07011	14.8
107.04958	53.9
107.91149	7.3
109.02895	12.0
109.06514	6.6
115.05491	8.2
123.04452	10.8
123.08084	6.7
124.05208	6.6
125.06017	9.1
128.06255	7.7
129.07014	10.1
131.04915	8.5
131.08585	15.0
135.81526	6.9
137.05974	9.8
141.07103	8.0
144.05690	6.6
145.06505	8.5
152.04642	8.7
156.05728	15.6
159.08052	19.9
167.07034	100.0
173.06004	13.2
175.07635	9.1
177.05495	10.0
186.06819	7.6
187.07620	12.5
191.08568	9.2
203.07011	10.2
205.08687	19.6
208.05258	20.1
217.08595	46.8
219.08119	16.3
220.08716	7.4
221.05971	12.3
231.08168	12.4
231.10191	17.0
236.04710	9.4
245.09756	9.1
247.07544	20.8
247.09708	19.2
248.08383	20.5
261.09119	9.0
263.10657	18.5
264.07724	8.7
269.08078	18.6
271.09689	15.5
275.07114	9.3
276.07556	7.9
279.10178	12.9
282.08905	16.1
290.09424	7.6
291.10129	17.4
293.08255	11.5
307.09634	15.0
310.08521	9.9
315.08640	54.7
319.09955	9.2
323.12842	16.1
328.09262	7.6
330.10953	67.0
331.11926	16.7
337.10718	8.9
343.11710	24.0
351.12283	29.4
351.54373	8.0
353.10391	9.1
368.12540	12.2
383.14832	81.3
401.17303	61.6
401.21744	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	401.0865
Annotation	demethylpremithracinone
Peak:m/z	Relative Intensity
51.33428	0.9
53.03939	1.7
55.01855	1.0
55.05500	3.0
58.09901	0.9
63.37449	0.8
63.92347	0.8
65.03960	1.1
67.05489	2.9
67.72411	0.9
69.03425	1.1
69.07053	1.5
69.54206	7.5
79.05484	7.6
81.07066	8.6
83.30427	0.9
86.77106	0.9
91.05462	4.2
93.07028	2.1
95.04968	3.0
95.08585	2.1
98.21486	1.7
102.74275	0.9
103.05466	1.1
105.07026	2.1
107.04960	5.6
107.08604	1.9
109.10099	1.4
114.79906	1.0
115.05430	1.8
121.06477	1.2
122.72036	0.9
123.04362	1.2
125.05964	1.0
129.06953	1.1
131.04927	2.0
131.08533	2.0
132.06764	1.0
135.04390	1.1
135.08043	1.2
139.05415	1.3
141.06947	1.3
144.05746	2.3
145.06448	1.9
147.04387	1.9
149.06004	1.6
153.32513	0.9
156.05695	1.5
157.06436	2.0
159.04404	2.8
159.08029	3.8
161.05954	1.4
163.03900	1.7
165.09082	1.7
167.07050	20.0
169.06467	1.6
171.04405	1.8
172.03908	2.1
173.06038	3.1
175.03877	2.3
177.05441	3.8
179.08588	1.0
179.10730	1.1
181.04987	1.9
183.04456	1.6
186.06787	1.4
187.03903	4.7
187.07568	2.3
189.05444	1.2
191.08633	1.9
193.06470	1.9
193.08411	1.6
197.05997	1.2
199.03893	2.2
202.06262	1.2
203.03375	6.9
204.06686	1.2
205.04951	4.1
205.08565	3.4
207.06430	1.5
208.05168	2.6
210.06728	1.6
211.03918	2.0
213.01804	1.9
213.05452	3.3
215.03326	5.8
217.04880	1.5
217.08554	5.3
219.08011	3.4
219.09923	2.0
221.05937	1.1
223.04015	1.4
225.05603	2.0
227.03291	1.3
231.02863	11.2
231.08124	1.6
233.04353	1.4
235.07478	2.6
236.04884	1.1
237.08890	1.6
239.03435	2.8
241.04974	2.2
243.02869	4.2
245.04395	1.8
247.02370	1.7
247.07516	3.4
247.09698	3.7
248.08296	3.0
250.06348	1.7
252.04155	1.0
253.04993	4.4
254.05898	1.4
255.02895	1.9
257.04398	2.0
259.02402	11.4
261.03912	7.1
263.07013	2.7
263.10660	2.2
264.07913	2.4
265.08560	3.2
266.05682	1.9
267.02917	3.4
267.06613	2.3
267.09958	1.1
269.00827	3.7
269.04367	5.2
269.08041	3.3
270.75467	1.1
271.02634	1.1
271.09747	2.3
273.03931	2.1
275.01840	2.1
275.07095	3.2
276.02652	1.4
276.07776	2.2
277.08438	1.8
277.62979	1.1
279.10056	1.7
281.08060	2.2
282.08835	3.3
284.02997	1.2
285.03906	3.1
285.07025	1.2
287.01837	12.7
287.09476	1.0
289.03406	34.2
291.06668	1.5
291.10123	3.3
293.07950	5.3
295.02545	1.2
297.03906	2.9
299.01889	2.3
301.03613	1.1
303.01364	2.4
307.09586	1.1
308.06949	1.0
309.07553	3.1
310.08237	1.1
313.03391	4.1
313.06622	1.0
315.01370	52.7
315.04929	5.8
315.08185	9.1
316.01816	1.8
319.05991	2.4
321.07648	4.7
323.01688	2.9
323.12735	2.5
327.01334	2.4
327.08539	1.4
329.02985	5.7
330.10965	10.7
331.00684	6.9
331.11725	1.7
332.01727	1.1
333.02353	16.1
334.02820	1.2
337.07028	3.5
337.10593	1.9
339.08582	2.4
339.12390	1.3
340.02203	9.1
341.02826	6.0
342.03745	1.4
343.11554	2.5
347.05490	2.3
351.12213	5.0
353.09937	1.4
355.08066	4.5
357.09692	13.5
365.06516	6.4
368.12289	1.9
383.07574	33.1
383.14810	10.3
401.08636	100.0
402.09009	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10104	1.8
55.42873	2.0
56.96569	16.4
65.57241	1.9
69.66582	15.0
71.41969	1.8
71.95267	2.0
82.72623	1.9
83.32591	2.0
83.69025	2.0
93.02537	1.9
98.96938	4.2
98.97580	84.5
116.98621	99.2
117.98893	2.3
118.98275	3.0
118.99052	4.3
134.99658	78.0
135.99965	3.3
136.99274	2.5
140.00168	2.3
143.67561	1.9
153.00720	18.7
158.01221	4.5
190.95380	6.5
208.96506	4.9
219.01967	3.5
224.96164	2.1
232.96460	9.8
234.96332	2.4
234.99872	4.2
236.99713	3.9
247.76468	2.1
250.97591	7.4
251.97777	2.7
252.97481	3.8
255.00964	2.2
256.96405	13.8
258.96826	3.1
258.99786	18.0
259.54318	2.4
259.99863	2.8
260.99777	7.7
261.02924	3.4
274.97513	100.0
275.97858	10.7
276.97565	25.7
277.00845	38.2
279.00702	13.2
280.01147	3.4
283.00049	5.7
284.64249	2.2
284.99838	7.7
290.96283	2.0
292.98550	96.5
293.98898	7.7
294.98691	17.4
297.99112	4.6
300.02490	2.9
300.97574	11.2
301.01065	10.1
302.01410	3.3
303.00870	14.1
304.00998	3.4
310.99332	3.0
316.00061	3.8
316.98605	4.2
317.99072	2.5
318.98654	28.4
319.98770	3.1
342.00351	2.6
376.98935	11.5
401.01117	7.6
418.97772	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17519	5.6
55.01856	9.1
55.05506	8.1
57.03428	9.3
69.03432	9.0
69.07033	5.6
70.06580	5.7
70.19460	5.5
71.04986	59.5
71.56895	9.1
73.02898	5.5
77.45496	5.2
79.05483	8.9
81.03439	11.5
83.04968	11.2
85.02908	100.0
91.05487	13.1
96.37452	5.2
97.02876	12.6
99.04453	6.2
107.04939	11.6
107.06139	5.9
111.04468	5.8
127.03899	12.9
129.05487	34.4
129.77481	5.4
147.06506	26.2
149.05930	5.2
153.01825	24.4
166.66576	5.2
167.07042	30.3
181.04951	8.8
199.96002	6.4
207.02715	7.9
217.08559	6.2
221.11670	7.5
238.10770	12.3
315.08704	8.0
351.12341	9.0
368.12686	7.5
383.14792	12.6
400.16168	7.1
401.14108	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	399.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44129	0.8
56.96556	2.4
57.03435	1.1
69.03418	2.2
70.06576	1.0
71.56497	1.0
81.03406	3.2
83.04996	1.0
83.26914	0.8
85.02884	5.5
85.10100	0.8
86.09719	1.0
97.02891	2.8
98.97575	2.7
99.15717	0.9
101.06032	0.9
109.02854	1.0
111.04429	1.5
116.98582	1.6
119.04951	0.8
127.03904	1.4
134.99594	1.6
136.06221	1.6
143.03423	0.9
146.05998	3.0
148.03908	1.8
149.01276	0.9
153.01826	9.9
154.02203	0.9
155.18372	0.8
161.01231	1.6
161.07164	1.2
163.03954	1.3
173.07074	1.5
174.05544	2.1
177.00635	1.3
185.07080	2.0
191.08145	2.5
199.08630	0.9
201.06776	1.0
203.05304	1.2
219.01836	1.6
219.07755	3.3
237.02844	2.6
237.08803	2.5
243.07658	1.1
255.03819	1.4
276.04871	0.9
280.50708	1.0
328.12881	1.0
363.11801	2.3
364.05310	1.0
364.09967	1.3
381.12100	1.5
383.96347	0.9
397.68887	0.9
399.12634	100.0
400.12970	3.0
422.57150	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1623
Annotation	His Glu Asn
Peak:m/z	Relative Intensity
57.03419	0.6
61.16998	0.5
64.47215	0.6
69.03430	0.8
69.28815	6.7
70.06579	0.6
70.13200	0.5
70.30444	0.5
79.05493	1.0
85.02890	1.2
90.41318	0.7
91.05485	0.7
93.07053	1.5
109.02923	0.9
121.38177	0.6
133.05345	0.6
154.56096	0.6
315.10486	0.6
315.92599	0.7
369.15262	1.8
399.16238	100.0
400.16562	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20931	1.6
53.03944	4.2
55.01854	2.7
55.05508	19.6
57.07066	4.5
59.04992	2.7
65.03951	2.3
67.05512	28.4
69.07071	22.9
70.83809	5.2
70.84163	2.2
71.05004	2.1
71.08621	2.3
79.05496	25.4
81.07058	59.2
81.97087	1.8
83.04982	2.6
83.08617	7.9
85.06543	6.4
91.05480	21.1
93.07041	65.5
95.04996	2.4
95.08602	100.0
97.06530	3.0
97.10191	4.9
99.04437	5.4
101.06019	5.1
105.06367	1.2
105.07027	37.8
107.08592	94.4
108.85089	1.8
109.06530	4.9
109.10152	47.3
111.02742	2.2
111.11703	2.0
111.60289	1.7
119.07791	3.7
119.08577	43.0
121.06490	2.2
121.10136	78.6
123.08085	2.5
123.11708	18.8
127.07595	2.3
129.07004	2.2
131.08568	5.4
132.62952	2.1
133.10130	36.4
135.08096	4.5
135.11688	54.5
137.13248	5.7
142.07684	1.9
143.08534	2.4
145.10100	9.3
147.07953	2.1
147.11691	42.6
149.09576	4.5
149.13251	39.8
151.11252	2.2
153.09084	2.9
157.10124	2.3
159.11693	10.5
161.13300	21.6
163.11214	10.8
163.14821	36.4
165.12842	2.3
167.10632	2.4
168.97021	1.8
171.11716	4.2
173.13194	5.1
175.14786	16.6
177.12762	16.9
177.16402	16.2
179.10669	2.2
181.04993	2.1
181.12242	23.6
187.14828	4.2
189.16379	13.4
191.14351	2.8
191.17955	8.6
195.13785	24.3
197.13202	2.1
201.16498	2.0
203.14258	2.1
203.17946	31.7
205.19455	4.3
207.13811	17.2
209.15428	3.6
215.17923	1.8
217.19530	23.6
221.15382	10.2
235.16969	3.6
249.04063	1.8
249.18550	3.8
261.18616	2.5
289.21539	4.8
299.50064	2.4
303.23206	2.9
354.33926	1.9
381.27386	2.8
381.31497	2.1
399.14453	4.3
399.32758	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	398.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35574	6.4
57.03422	24.2
57.30730	5.6
62.36723	5.5
69.03425	65.4
69.07063	22.4
69.55489	51.1
73.02920	7.3
79.05503	9.2
81.03436	10.6
81.07045	11.0
85.02901	66.1
86.09733	5.4
87.04471	55.8
93.07069	6.9
97.02892	56.3
98.20757	13.3
109.02865	8.4
111.08097	14.1
115.03928	77.6
116.07178	6.2
119.04967	5.3
127.03925	32.7
133.04965	100.0
141.09004	5.9
145.04967	25.9
150.07640	7.1
153.01836	17.8
163.06046	13.1
387.27982	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	399.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99022	5.3
56.05020	7.8
56.96556	23.5
57.03415	9.3
61.02934	6.7
61.67009	5.7
69.03436	26.5
69.53820	26.7
69.54259	23.2
70.06580	14.9
73.02886	9.0
75.57999	6.0
75.78127	5.1
77.24449	5.8
81.03409	13.5
84.96000	7.0
85.02892	38.9
89.03897	7.7
97.02895	35.2
98.97592	29.3
102.05539	17.4
109.02854	9.0
110.74463	5.6
116.07092	16.3
116.98586	29.3
119.01921	23.0
119.88774	5.1
120.43973	5.4
127.03915	12.9
128.98669	12.5
134.99666	19.5
135.04462	8.1
136.06158	26.3
143.01982	6.4
144.03461	6.7
145.06532	16.0
146.06812	10.6
146.99651	11.4
149.01163	8.2
153.01837	74.8
156.03600	10.8
158.99651	15.3
161.02924	11.4
163.03889	40.1
164.04269	6.0
167.02280	9.5
173.06004	7.5
177.00706	37.1
179.02281	5.8
189.00711	18.3
189.02386	6.6
201.00720	10.3
201.02403	6.2
206.08179	8.3
207.01859	8.1
207.08400	9.4
219.01788	24.5
219.06458	9.2
228.05739	27.4
237.02855	16.0
237.06450	8.7
245.04939	8.7
249.02533	8.1
249.04730	9.3
250.09413	29.7
255.03922	6.8
259.01398	9.6
261.02643	11.1
277.02124	5.8
279.03860	11.9
287.00824	6.3
297.04861	9.4
301.02258	10.1
335.67398	5.4
339.09589	13.7
399.10495	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
68.65798	0.6
69.03416	0.8
70.06589	0.9
71.57214	1.4
73.02902	0.6
81.03417	0.8
81.39899	0.6
83.04962	0.6
85.02911	1.4
97.02899	1.7
107.32564	0.7
136.06154	1.8
147.06558	0.9
153.01794	3.4
209.53322	0.7
250.09274	0.9
399.12622	100.0
400.12851	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	21.8
57.07071	23.6
67.05493	48.7
69.07064	54.5
71.08627	21.5
71.57677	13.3
71.58091	8.4
79.05486	29.4
81.07040	79.6
81.14528	7.9
82.75531	8.3
83.08609	26.0
91.05511	17.6
93.07036	46.8
95.08589	71.4
97.10130	24.1
105.07030	49.6
107.08570	26.2
109.10149	56.7
119.08575	34.4
121.10130	23.9
123.11702	20.5
133.10130	35.6
135.11668	48.8
147.11668	86.5
149.13249	25.7
161.13272	68.4
175.14784	13.8
189.16336	14.3
201.16328	10.0
208.50194	9.1
215.17957	14.6
257.22836	10.6
262.16476	8.8
315.30356	11.1
397.38342	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1645
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
55.01865	3.0
66.38808	1.4
69.03428	4.8
71.57714	2.7
79.05484	5.6
81.03415	5.3
81.07037	4.9
83.04955	2.0
85.02889	4.9
91.05476	17.6
93.07030	2.8
94.04165	3.2
95.04955	3.6
95.08577	1.6
97.02890	3.3
103.05473	4.9
105.07014	5.1
107.04951	5.5
109.02890	3.4
109.06496	3.7
111.04458	2.7
115.05434	4.3
115.87630	1.5
117.07034	2.8
119.04950	10.1
119.08528	3.7
121.06484	3.1
121.10149	1.9
122.03663	9.0
123.08083	1.4
127.03912	2.1
128.06230	5.1
129.06992	7.2
131.04935	4.1
131.08574	5.5
133.06433	2.9
133.10056	2.2
135.04419	1.9
135.08069	1.8
137.05971	100.0
138.06311	1.7
141.06995	4.7
142.07771	4.0
143.08578	2.7
144.05733	3.1
145.06505	2.5
145.10144	1.7
147.04358	2.8
147.08063	1.8
149.05943	8.2
151.07529	16.5
152.06233	3.4
153.01831	4.2
153.07056	3.9
155.08566	4.8
157.06473	5.0
157.10117	2.2
158.07277	3.0
159.08063	6.7
161.05997	15.6
161.09628	3.2
162.04059	1.4
163.07541	4.4
165.07005	5.1
167.08617	2.2
168.05699	2.1
169.06512	4.8
171.08054	6.1
172.05186	2.6
172.08879	4.1
173.09645	2.6
174.06804	2.1
175.07600	5.3
179.08519	1.9
181.06512	2.8
182.07359	8.4
183.08051	4.5
184.05360	1.9
184.08908	3.8
185.06027	3.0
185.09576	9.2
187.07544	9.2
187.11166	3.0
189.09137	4.1
189.12819	1.4
191.07045	8.3
191.08659	1.7
193.06525	1.5
194.07265	2.5
195.08110	3.6
197.09621	10.0
198.06743	15.8
199.07565	7.3
199.14844	2.3
200.08295	2.7
201.09149	5.5
202.07819	3.3
203.08690	3.0
203.10675	1.7
205.08629	2.5
209.05872	1.8
209.09755	1.8
210.06752	4.4
211.07564	6.3
212.08374	4.3
213.09084	23.6
214.09685	2.2
215.08774	2.7
215.10550	8.3
217.12134	1.9
217.15921	5.1
219.08098	1.8
225.09070	12.7
227.10757	2.1
229.08498	2.1
231.08075	3.6
232.08821	2.1
233.05902	2.1
233.09624	2.3
235.07512	2.3
239.08707	1.6
242.09473	1.6
243.07993	3.6
243.10152	19.0
245.09634	4.2
245.11940	3.3
246.06786	1.8
247.07454	2.4
248.08232	2.2
249.09158	2.9
255.10143	7.5
257.09702	3.0
258.10495	2.7
259.07550	2.6
260.08353	4.6
261.09106	6.3
262.10107	2.8
263.10870	2.9
264.07861	2.4
265.08572	6.1
271.07571	4.1
273.09094	3.2
273.11249	64.3
274.09909	3.0
275.07080	3.0
275.10654	4.9
276.07800	4.4
277.08643	6.9
277.12103	2.4
278.09314	4.1
279.10068	2.0
284.08545	1.6
285.09097	3.2
287.07166	2.3
288.07861	4.3
289.08792	4.1
289.11969	2.3
290.09381	5.7
291.10141	9.7
292.07254	3.8
292.10648	1.6
293.08023	4.5
293.11734	4.3
301.08643	5.9
301.11935	1.9
302.09296	3.2
303.10214	6.8
305.08313	2.9
305.11722	5.3
306.08951	2.0
307.09607	12.8
308.10336	8.7
309.11063	1.6
315.10223	3.6
317.11774	5.0
318.12399	2.2
319.09778	4.0
320.10434	2.3
321.11224	6.4
322.11920	2.6
325.10870	3.2
329.11725	1.8
331.09564	1.8
333.11185	4.7
334.12006	3.8
335.12738	9.6
336.13568	4.2
337.14349	3.5
339.12259	3.8
348.13501	2.5
349.10666	2.2
349.14072	7.5
351.12198	19.2
353.13818	3.7
354.14575	26.9
361.13965	1.8
365.14145	1.9
367.15433	5.4
379.15408	18.0
397.16528	79.8
397.22064	10.6
398.16968	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.8
56.96560	31.6
57.03428	4.9
61.02909	4.7
67.35974	1.7
69.03429	8.9
69.84869	11.3
70.06583	4.8
72.96043	1.8
73.02914	4.7
77.60651	2.0
81.03391	4.6
83.04964	3.3
84.96040	5.3
85.02907	14.1
97.02885	8.4
98.21397	3.1
98.97571	42.5
100.99145	3.9
109.02866	3.7
109.05225	1.7
110.97588	8.5
112.99131	39.2
116.07121	3.6
116.98617	28.8
119.00175	3.6
119.01857	4.6
127.03925	5.7
128.98576	17.7
131.00169	88.1
131.01799	3.2
133.03447	3.1
134.99632	10.1
136.07573	2.1
143.00175	4.1
145.01709	3.8
145.03418	2.1
146.99683	16.4
149.01215	64.3
157.04385	4.0
158.99657	7.1
159.04959	2.4
161.01204	7.0
161.02882	1.7
163.02789	5.1
167.02251	7.2
170.99672	5.7
171.05045	3.2
173.01201	5.1
174.25165	2.7
175.02805	7.4
177.00729	8.2
177.04160	3.9
179.02307	2.2
187.02780	4.6
189.00772	5.9
191.02289	3.4
193.03812	19.1
201.00746	6.5
205.03827	3.7
209.01250	3.0
211.04909	17.1
219.01764	35.5
219.07889	2.3
220.05888	2.0
221.05139	2.6
237.02809	92.6
239.07620	1.8
241.06543	3.2
249.06400	2.2
255.03928	11.2
256.07004	6.8
258.06699	2.4
263.04370	4.4
275.04333	14.7
277.05896	2.8
278.08359	2.8
279.09296	4.5
281.05603	3.6
281.09122	2.4
293.05405	24.8
295.07034	2.8
299.29279	1.8
303.01331	2.4
319.07193	2.1
337.08038	88.0
338.08392	2.1
355.09100	100.0
356.09549	4.0
378.10654	4.6
397.10132	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	397.1472
Annotation	KADETHRIN
Peak:m/z	Relative Intensity
55.05499	0.9
61.43327	0.7
67.05490	0.6
69.03426	6.9
70.06590	1.4
71.04996	0.9
71.11499	1.4
71.11855	1.0
79.05484	1.1
81.03407	2.4
81.07047	1.4
85.02901	2.3
91.05448	0.8
93.07041	2.3
94.32097	0.7
95.04961	0.9
95.08622	0.8
97.02898	1.5
99.04463	1.3
105.07020	1.0
109.02890	2.5
121.06454	1.0
125.47345	0.7
129.06993	0.9
133.06549	0.8
137.05956	1.4
143.03412	2.3
145.06497	1.1
161.05959	1.0
185.04230	3.1
189.05334	0.7
219.06316	2.0
234.08685	7.3
235.09398	10.6
283.11578	0.8
318.39777	0.7
341.02740	0.7
397.14700	100.0
398.15045	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11378	5.2
55.05498	31.3
57.07057	23.1
64.64687	5.5
67.05507	44.4
69.07059	24.0
71.08624	13.9
71.58390	7.6
79.05482	48.1
81.07063	74.4
83.08622	16.8
85.10157	5.7
91.05468	60.8
93.07040	81.0
95.04967	56.0
95.08601	65.3
97.06517	10.0
98.98448	29.4
104.61613	6.7
105.07029	100.0
107.04966	7.0
107.08592	47.0
109.06522	17.9
109.10160	33.6
117.06998	21.2
119.08577	95.1
119.09378	10.2
120.26089	5.4
121.06506	26.0
121.10092	34.0
123.08089	14.0
123.11716	14.0
123.23117	5.7
128.06210	14.4
129.06984	16.3
131.08574	47.1
133.10129	58.2
135.08038	8.5
135.11690	16.5
141.07001	8.0
142.07768	21.8
143.08562	38.4
144.09331	10.5
145.10118	66.5
147.11667	30.0
155.01050	38.7
155.08607	9.8
157.10112	57.2
158.10944	7.2
159.11687	49.1
161.09644	16.3
161.13252	8.3
169.10139	25.9
171.08075	6.7
171.11659	29.5
173.13263	23.7
175.11168	14.9
175.14801	22.9
181.10124	14.2
183.11700	16.0
185.13248	9.6
187.11122	9.5
187.14806	10.8
189.12604	8.2
193.10226	9.0
195.11700	8.8
197.13309	15.4
199.14832	13.8
201.16431	12.8
209.13193	12.4
211.14877	12.3
223.14813	8.1
235.14804	8.4
279.61502	5.9
375.26849	7.4
393.27759	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	394.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49181	21.7
63.71408	20.1
69.03436	45.2
71.57251	44.9
81.03418	29.8
81.07017	32.3
85.02889	62.2
89.51245	21.2
91.05468	55.0
97.02885	41.7
99.04459	24.2
119.04942	49.1
137.05960	52.2
147.04399	92.5
153.01811	55.6
179.07028	100.0
202.72408	23.3
219.01814	26.3
237.02849	30.2
286.92004	23.4
372.68704	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60634	0.6
54.51786	0.8
69.00990	0.7
70.07788	2.6
121.57962	0.7
151.69096	0.9
185.04222	5.3
188.03711	1.2
217.04727	2.0
232.07057	14.1
233.07838	11.7
364.11264	2.4
365.12198	1.5
395.13129	100.0
396.13409	3.2
407.37787	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52094	0.7
56.61233	0.6
58.31497	0.8
69.03403	0.9
71.32541	1.6
81.03423	1.0
85.02909	0.8
91.05485	0.9
93.07036	0.9
100.24086	0.7
111.04461	0.9
122.35662	0.7
122.83012	0.7
171.08047	0.9
185.04201	5.8
188.15811	0.8
188.17490	0.8
204.98759	0.8
231.02637	67.8
232.03026	0.9
239.19411	0.8
249.03740	3.0
263.36945	0.7
299.71219	0.8
393.07904	100.0
394.08258	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
53.10115	0.7
55.01866	1.5
55.74567	0.8
57.03441	9.4
57.27238	0.7
61.02919	3.1
67.05486	1.1
69.03085	1.0
69.03428	16.2
71.01337	2.7
71.04992	4.9
71.56965	1.2
73.02898	3.0
75.04462	3.3
79.05497	1.5
80.38486	0.7
81.03419	6.0
81.07038	1.1
85.02888	1.1
87.04478	1.3
91.05500	1.1
95.04942	1.6
97.02887	0.8
99.04440	7.9
105.48477	0.7
107.04893	0.6
109.02908	1.3
109.06407	0.7
111.04439	1.2
117.05504	1.8
118.06509	0.8
121.06506	0.8
123.72152	0.7
125.06044	0.8
128.06282	1.0
133.07600	1.0
146.05980	1.4
151.03838	1.6
160.08621	0.9
161.07057	4.6
170.07077	0.7
171.08047	1.3
173.05923	1.6
186.06635	2.4
188.08183	29.9
190.09673	1.2
197.09912	0.7
206.09190	1.0
214.06093	4.7
216.07710	3.2
221.31703	0.8
232.07162	17.8
234.08830	4.2
259.08258	75.5
260.06458	1.8
357.11978	0.8
375.13007	4.8
382.87308	0.7
393.14044	100.0
394.14410	3.7
396.39014	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01274	0.4
68.05007	1.4
69.03378	0.4
69.75500	1.9
70.06567	0.5
81.07026	0.6
91.05490	0.5
98.21484	0.6
124.05106	0.3
125.09657	0.3
130.05023	0.8
140.03416	1.0
149.04533	0.7
164.06012	0.4
166.07239	0.8
172.06091	0.6
189.06406	0.6
201.06441	2.1
202.07237	2.3
203.08040	1.9
204.08798	6.6
212.71851	0.3
215.08032	1.6
216.08806	100.0
217.09396	2.9
218.10358	4.8
225.06454	10.6
225.08586	0.7
226.07239	2.7
227.08011	1.0
228.08821	0.9
229.09518	1.4
230.08104	0.6
230.10379	8.3
231.57109	0.4
240.08798	53.8
241.09415	2.3
242.10324	0.6
246.09845	6.0
255.10033	0.5
258.09839	2.2
268.08298	4.6
272.11450	4.0
283.09500	1.3
300.10907	51.1
301.11188	1.4
311.08987	1.0
315.11960	1.1
333.13062	3.2
343.11697	1.9
361.12515	5.5
375.14093	4.1
393.15164	20.5
403.15900	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20439	4.4
55.01867	7.4
67.05481	5.7
69.03407	5.7
70.06538	5.4
70.86284	11.1
70.86621	4.2
79.05469	5.1
81.03405	7.5
81.07041	4.8
85.02908	7.7
86.09708	6.1
87.04469	6.5
87.82756	4.7
88.24232	4.8
95.04980	5.5
97.02908	5.9
103.05448	9.3
107.04938	36.6
116.04982	4.9
121.06561	5.0
127.03832	5.8
135.08014	21.5
137.05960	8.8
149.06036	5.8
153.05421	5.3
153.09302	4.5
163.07582	31.4
163.08745	5.1
167.07047	94.3
172.03893	10.5
180.07693	6.5
191.52243	5.3
195.10144	32.5
213.11214	100.0
393.07761	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	392.2177
Annotation	Leu-Pro-Tyr
Peak:m/z	Relative Intensity
51.52314	1.3
52.90136	1.2
55.05509	7.2
59.22984	1.2
69.03403	1.7
69.07066	9.4
70.02967	2.5
70.06200	1.8
70.06588	45.7
72.08150	100.0
81.03403	2.0
82.06604	1.2
84.08145	2.0
86.09703	50.6
91.05467	4.1
97.02921	1.3
98.06036	5.4
107.04937	1.8
111.04427	2.2
111.10464	1.6
112.07603	3.6
113.10752	3.0
119.04953	4.1
123.04440	2.2
123.11726	1.6
127.08643	3.1
127.94669	1.2
136.07567	20.2
137.05922	1.4
138.12738	6.0
140.14325	28.9
147.04414	1.9
149.02408	2.2
150.02699	1.4
153.01849	6.6
154.02161	4.7
156.27632	1.3
159.35220	1.2
161.75935	1.2
162.05498	5.6
165.05450	3.1
166.12268	2.1
167.24625	1.3
167.55302	1.3
182.08183	6.6
183.14920	88.9
188.45647	1.4
211.14406	30.1
230.14069	1.4
275.13879	15.1
295.16486	3.2
305.14850	3.1
321.14310	10.3
347.19574	4.1
375.18890	2.7
392.16400	1.5
392.21716	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43016	7.8
56.96568	73.0
57.03418	9.9
69.03426	26.0
79.01875	9.4
79.11514	9.3
79.11983	9.6
81.03446	8.8
81.04542	20.4
85.02893	37.5
91.67970	8.4
97.02905	28.4
98.21618	22.0
98.97598	50.7
110.97585	8.3
116.98616	36.3
119.01897	24.6
127.03906	12.8
128.98602	26.2
131.01921	17.1
134.99632	29.4
137.05933	12.5
143.00206	9.2
143.03391	8.4
145.03427	14.7
146.99640	29.7
150.96825	10.8
153.01848	100.0
155.01924	19.6
157.03445	13.1
161.01285	22.1
161.02896	14.3
169.03423	10.9
171.05035	9.3
173.02933	24.5
177.00743	21.5
177.02156	10.5
187.02789	11.7
189.00722	17.6
189.06001	10.8
200.04387	12.8
203.03987	18.3
205.00200	14.6
213.03246	11.9
219.01854	22.1
221.05106	32.2
223.01231	19.8
229.95236	13.1
231.05049	18.1
237.02808	25.2
245.05093	31.1
248.99173	25.2
255.03876	11.8
255.10666	10.8
264.41293	9.0
267.00220	29.7
285.04514	34.3
291.00217	26.0
291.03625	10.8
303.05411	15.1
309.08453	15.1
312.07806	17.3
351.07434	12.1
393.07477	45.1
393.12134	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.7
55.05507	5.4
55.37708	3.0
59.43694	3.2
63.13695	3.1
65.03941	3.3
67.05495	6.0
69.03410	9.1
69.33463	30.4
70.98731	3.0
71.08614	4.6
79.05496	11.6
81.07049	7.6
83.04977	6.4
85.02911	7.2
91.05476	13.1
93.07037	4.3
95.04935	4.5
97.02898	6.7
98.21585	4.0
103.05436	4.6
105.07039	8.2
107.04959	10.3
109.02890	8.0
109.06593	4.1
115.05486	3.7
121.06499	11.4
123.04390	5.7
127.03922	4.7
129.07013	6.4
131.04959	7.0
131.08562	8.2
135.08060	4.5
137.05968	17.4
145.05084	4.5
145.06445	3.9
146.07266	6.1
148.05188	4.5
149.02385	19.2
149.05971	6.9
157.06500	3.8
159.08081	5.2
161.05980	100.0
161.09607	21.6
163.07571	8.4
163.58310	3.0
167.03384	3.4
167.07050	22.2
175.07552	8.3
181.08604	10.3
181.97940	3.5
189.09119	51.2
191.07086	5.7
207.10165	45.1
225.09000	3.4
272.71823	3.5
285.07870	3.8
285.11307	5.2
317.13791	5.7
343.15405	6.2
391.14725	6.7
391.19302	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	391.263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49426	6.3
55.05514	13.3
57.07064	10.1
59.95316	5.9
61.02942	6.9
65.23542	6.0
67.05492	24.2
67.37298	5.9
69.07056	15.1
70.06649	6.9
71.57928	10.8
74.99408	6.0
79.05495	34.5
81.07050	47.3
83.08636	6.1
87.85262	5.8
88.59341	6.7
91.05481	40.8
93.07049	42.7
95.04976	50.1
95.08598	23.7
105.07022	63.3
107.08575	29.9
109.06524	10.2
109.10159	18.4
114.32789	6.1
117.07023	22.1
119.08570	53.6
121.06483	16.7
121.10147	28.2
123.11733	9.7
128.06245	9.6
129.07013	15.1
130.07765	11.1
131.08562	24.4
133.10109	19.2
135.11711	7.0
137.09665	7.2
142.07784	14.8
143.08557	27.1
145.10121	49.8
147.08047	8.0
147.11687	12.0
149.02316	33.3
155.08549	14.9
156.09285	12.6
157.10094	35.8
159.08118	15.7
159.11691	22.7
161.09587	6.4
167.08553	16.3
168.09329	9.3
169.10126	26.2
171.11742	16.2
173.13237	14.2
179.08566	12.8
181.10132	17.5
183.11676	24.8
185.13275	14.6
187.11159	7.5
192.09459	5.8
193.10147	18.1
195.11697	19.0
197.13278	16.9
206.10934	9.3
207.11722	16.7
209.13258	9.4
211.11166	6.6
219.11729	7.3
221.13185	16.5
223.14853	12.6
225.12894	6.5
227.14273	10.8
231.11577	7.6
233.13297	8.6
247.14868	10.8
249.16348	10.6
251.04681	6.1
282.19904	8.8
329.32309	14.1
335.19971	7.5
339.12314	7.1
343.18607	6.4
373.25156	13.5
391.15561	9.0
391.26242	100.0
391.36172	73.1
392.26550	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	390.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30002	2.0
55.05507	3.8
59.72655	1.8
67.05495	8.0
69.03416	12.4
69.07055	2.4
69.75620	13.5
70.06593	3.9
71.04977	7.0
73.02913	3.7
76.02377	2.0
79.05489	9.1
81.03407	14.6
81.07048	9.9
82.06567	5.3
83.04975	3.8
85.02898	28.6
85.06552	3.1
86.31677	2.2
87.04473	3.3
91.03928	2.6
91.05482	9.9
93.07027	10.5
94.06558	11.0
95.04983	4.9
95.08589	3.9
96.08109	5.0
97.02879	9.5
97.06470	2.7
98.21394	4.8
99.04433	4.7
100.11174	2.5
103.78297	2.2
105.07015	8.7
107.04961	5.4
107.08597	3.8
108.08114	3.9
109.02850	4.6
119.08545	4.1
127.03902	5.2
131.08586	2.7
136.07574	4.0
139.70480	2.1
145.04947	3.6
166.12213	2.5
168.13820	2.5
182.15395	3.7
192.13835	9.6
210.14899	41.4
228.15944	100.0
290.67688	2.6
372.20135	3.5
390.21188	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	391.1232
Annotation	Sagitol
Peak:m/z	Relative Intensity
51.88962	2.1
53.03929	2.1
57.07063	2.3
69.03419	6.5
69.62415	12.9
70.06578	6.2
71.04985	2.5
72.08149	9.5
79.01839	3.5
81.03401	9.3
85.02903	8.5
85.43848	2.2
86.09704	5.9
91.05466	2.1
95.04979	2.0
97.02898	4.7
104.47633	2.3
109.02870	6.3
123.06225	2.0
125.02328	3.4
127.03906	7.1
135.04456	2.0
137.05945	6.2
140.14388	2.4
143.03389	5.9
149.02336	18.4
149.06007	2.5
153.01823	100.0
153.05389	2.3
154.02106	2.1
171.02922	10.9
183.14934	8.2
211.14372	2.7
230.13896	3.4
244.51970	2.5
297.06015	5.2
307.16293	2.8
315.07092	4.1
355.18835	3.6
391.03275	2.7
391.15561	29.7
404.59134	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.1
55.05508	4.7
66.08708	2.7
69.03416	4.8
71.25517	3.0
71.57137	5.4
76.73209	2.7
79.05498	7.8
81.03386	3.7
83.04996	3.9
85.02875	6.8
91.05493	15.3
93.07025	5.9
95.04969	4.0
97.02859	4.1
105.07052	7.0
107.04930	7.0
107.08616	4.0
119.04952	3.7
121.06491	6.5
125.09622	4.8
127.03961	3.6
128.06239	3.1
129.06982	7.5
131.04906	5.2
131.08542	3.7
137.05963	12.8
144.43654	3.0
147.04407	3.0
148.05141	3.0
149.02339	18.9
149.06006	4.5
151.03851	4.7
151.07503	3.5
157.06528	3.7
161.05974	100.0
161.09616	23.3
165.05435	4.0
167.07053	26.0
173.05980	3.8
174.06699	5.8
175.07520	6.2
177.09244	3.9
181.08569	11.7
189.09091	64.6
191.07083	4.3
207.10164	51.6
209.08034	3.1
229.10645	3.4
243.58772	2.9
253.08543	3.0
283.09579	2.9
285.10730	3.6
315.12103	3.5
317.13885	5.3
370.04025	2.9
391.14182	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	390.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.7
55.01863	4.1
55.05495	3.6
57.03423	6.8
60.04498	2.6
61.02920	5.2
65.03930	2.9
65.81418	1.9
67.05495	8.6
69.03416	16.9
69.07053	4.8
70.06583	5.7
70.15945	10.1
71.04990	5.2
72.08128	2.3
79.05482	17.8
81.03400	16.9
81.07039	12.4
82.06564	5.1
83.04979	2.1
85.02897	34.9
85.06502	4.4
87.04474	4.5
91.03944	2.2
91.05468	14.8
92.05785	2.4
93.07037	9.8
94.06560	9.9
95.04994	6.7
95.08614	5.5
96.08138	5.7
97.02885	13.0
97.06562	2.5
98.30582	2.1
99.04433	5.0
105.07030	11.5
106.06541	3.1
107.04957	8.2
107.08606	5.7
108.08128	4.8
109.02882	7.4
109.10147	3.1
111.08070	3.7
117.06980	2.6
118.06487	3.0
119.04975	2.7
119.08524	5.1
120.08119	3.8
121.06485	3.4
121.10115	3.0
122.06046	3.5
122.09612	2.1
123.08083	3.2
124.07613	4.0
127.03913	8.1
131.08513	2.4
131.17120	2.2
133.10094	4.0
136.07545	3.4
137.05954	12.7
147.04416	6.3
147.11740	4.1
149.09586	4.1
151.11217	2.8
161.06006	3.4
163.07516	6.3
167.07098	5.3
167.10634	2.7
168.13969	2.3
174.12801	2.6
175.07529	2.7
179.07054	3.7
180.13861	2.2
181.08589	21.7
182.15314	4.2
192.13809	7.1
193.12289	3.7
198.14830	3.4
210.14856	50.7
211.15167	2.6
228.15918	100.0
229.16278	5.0
258.76480	2.3
304.97974	2.1
309.46158	2.5
372.20157	5.7
390.21387	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	389.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	6.4
55.05503	8.4
55.55450	4.5
57.03434	7.0
67.05503	15.0
69.03415	15.4
69.07044	6.3
69.27465	61.2
71.04987	27.3
79.05500	11.1
81.03416	11.0
81.07055	11.6
83.04983	8.1
83.08585	6.7
85.02905	23.9
85.06519	11.6
91.05467	15.2
93.07040	11.8
95.04982	11.7
95.08589	8.4
97.02912	7.5
98.20695	10.2
99.04452	100.0
105.07040	11.6
107.08606	27.9
109.06570	10.3
109.10173	8.8
117.07002	6.3
119.08575	13.6
121.10184	12.6
123.08067	20.1
123.11726	11.2
125.09581	8.2
127.03918	5.7
131.04909	15.2
131.08521	5.7
133.10124	12.6
135.08058	16.1
137.05977	11.9
139.11197	8.6
141.06993	6.8
151.07530	5.8
163.07487	6.1
163.11160	6.2
167.07027	12.9
167.10715	6.4
168.12389	5.0
169.12271	16.1
169.16202	6.2
173.13318	9.5
175.07588	14.2
177.05426	6.4
183.13792	19.8
187.07477	5.6
191.14313	8.2
192.07851	6.9
199.08598	6.3
209.15451	8.1
215.10722	9.1
227.10741	7.8
227.16415	48.8
228.16216	5.8
245.11676	10.3
265.09842	6.6
277.08646	7.2
295.10825	6.4
300.99387	5.2
309.11182	6.7
371.15125	8.0
389.13583	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	390.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	7.4
69.07066	7.5
70.06605	6.1
70.98147	6.6
70.98478	12.9
71.04977	6.2
79.05475	12.6
81.07047	8.7
84.04517	5.5
85.02885	8.7
86.09698	23.4
91.05477	8.1
95.05019	8.8
104.95172	5.8
105.07050	39.3
109.06519	7.0
109.71185	5.1
115.05437	8.3
117.65742	5.4
124.03897	5.9
127.03956	13.1
128.18456	5.3
133.06476	38.1
136.21576	6.8
143.29393	5.4
150.40584	5.5
161.05991	100.0
165.91757	5.0
166.08623	6.9
193.08600	58.0
203.06956	7.7
215.16701	6.1
220.09776	10.1
249.12332	21.6
312.85095	5.3
345.05774	5.7
362.20734	11.1
390.18109	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	390.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89498	7.0
62.79943	7.0
67.80235	6.6
69.03438	7.7
69.37988	69.7
98.20766	11.3
105.07024	26.2
115.05441	11.0
133.06476	21.6
161.05974	56.6
193.08575	39.7
228.12715	7.9
390.18085	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2168
Annotation	Icariside B5
Peak:m/z	Relative Intensity
55.01855	6.4
55.05503	8.4
55.55450	4.5
57.03434	7.0
67.05503	15.0
69.03415	15.4
69.07044	6.3
69.27465	61.2
71.04987	27.3
79.05500	11.1
81.03416	11.0
81.07055	11.6
83.04983	8.1
83.08585	6.7
85.02905	23.9
85.06519	11.6
91.05467	15.2
93.07040	11.8
95.04982	11.7
95.08589	8.4
97.02912	7.5
98.20695	10.2
99.04452	100.0
105.07040	11.6
107.08606	27.9
109.06570	10.3
109.10173	8.8
117.07002	6.3
119.08575	13.6
121.10184	12.6
123.08067	20.1
123.11726	11.2
125.09581	8.2
127.03918	5.7
131.04909	15.2
131.08521	5.7
133.10124	12.6
135.08058	16.1
137.05977	11.9
139.11197	8.6
141.06993	6.8
151.07530	5.8
163.07487	6.1
163.11160	6.2
167.07027	12.9
167.10715	6.4
168.12389	5.0
169.12271	16.1
169.16202	6.2
173.13318	9.5
175.07588	14.2
177.05426	6.4
183.13792	19.8
187.07477	5.6
191.14313	8.2
192.07851	6.9
199.08598	6.3
209.15451	8.1
215.10722	9.1
227.10741	7.8
227.16415	48.8
228.16216	5.8
245.11676	10.3
265.09842	6.6
277.08646	7.2
295.10825	6.4
300.99387	5.2
309.11182	6.7
371.15125	8.0
389.13583	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	389.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.1
55.01862	3.8
55.05489	5.8
61.83448	3.1
67.05492	9.9
69.03427	33.3
69.07059	9.2
71.04984	6.5
71.57297	3.5
73.06520	3.1
79.05476	11.7
81.07043	13.2
83.04966	22.6
85.02892	9.0
91.05470	15.2
93.07031	12.7
95.04973	12.1
95.08572	10.9
97.06530	5.0
103.05450	6.9
105.07021	14.5
107.04946	6.6
107.08587	11.7
109.02876	9.3
109.06471	5.4
115.05450	4.0
117.07011	6.1
119.04955	3.3
119.08553	10.3
119.90334	3.9
121.06532	8.4
123.04425	5.4
123.08009	3.9
128.06215	5.7
129.07001	16.8
131.04953	5.3
133.06477	4.4
135.07990	5.5
137.05952	10.0
139.07378	3.4
141.07036	4.1
142.07841	8.1
143.08514	9.6
145.06442	5.7
145.10071	4.4
147.07994	9.4
149.09615	4.0
151.07538	6.3
153.01828	4.5
153.06946	4.3
155.06995	5.3
155.08600	6.7
156.09349	6.6
157.06480	9.6
157.10133	6.5
158.07257	4.3
159.08046	14.6
161.05940	4.8
161.09674	4.1
163.07561	8.2
165.06982	9.0
166.07869	7.4
167.07022	18.2
167.08537	12.0
169.10121	9.5
171.06648	3.8
171.08057	13.8
172.08763	5.5
173.09618	7.8
174.06693	6.5
175.07549	11.4
177.05386	3.7
179.08537	11.1
181.04958	46.3
181.06442	5.3
181.10182	10.4
183.08052	3.9
183.11755	5.9
185.09711	16.0
187.07574	5.2
187.11168	8.7
189.07646	3.4
189.09067	22.0
190.07869	3.7
193.04930	4.7
193.10184	17.1
195.08032	9.4
195.11739	9.3
196.08821	5.8
197.09552	8.2
199.11102	17.0
201.12866	3.8
203.08493	4.0
207.11754	6.7
208.08833	11.1
209.09575	21.2
210.10330	4.6
211.07655	3.9
211.11194	19.4
213.12735	8.1
217.10231	6.3
219.10095	7.2
223.11174	24.5
224.11852	3.2
225.09113	6.5
225.12759	6.2
227.10619	9.0
232.12479	6.4
234.10281	5.3
235.11250	8.6
236.08012	3.9
236.11928	7.0
237.12740	4.2
239.10719	6.5
239.14316	8.5
241.12181	8.2
245.11752	4.5
247.14897	6.7
249.12645	7.1
250.13464	6.3
251.10622	5.3
251.14256	5.3
253.12199	4.6
260.11896	6.8
263.10672	6.7
265.15839	23.0
267.13895	20.6
269.11774	9.9
269.15369	8.2
275.14331	7.9
278.13156	6.7
283.16879	14.3
293.15332	35.9
311.16367	56.8
329.11041	5.2
329.17426	33.3
371.14801	12.3
389.19412	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1593
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
53.03922	3.5
55.01675	2.6
55.01873	25.9
55.05501	3.7
65.03936	12.5
67.05506	3.7
68.99825	3.7
69.03412	10.4
71.57482	4.3
74.38690	2.8
76.25881	3.0
79.05486	10.1
81.03408	5.3
81.07019	5.8
82.04192	4.5
85.02895	9.8
85.06541	3.8
91.05486	21.9
92.98110	3.4
93.07036	10.5
95.04954	15.4
95.08601	5.3
97.06528	7.0
100.07561	3.3
100.11229	4.3
103.05478	24.8
105.07014	11.5
107.04951	15.8
107.08562	5.6
108.05791	3.4
109.02888	9.0
109.06506	5.5
109.10224	3.6
111.04433	5.0
115.05450	5.9
116.74797	3.1
117.06993	9.0
118.04116	3.5
119.04948	5.4
119.08583	5.1
121.06473	7.9
121.10153	5.9
123.04448	10.6
123.08066	7.4
125.06008	4.7
128.06250	7.2
129.07037	15.0
131.04916	26.9
131.08577	6.2
132.05678	6.2
133.06511	6.9
133.10123	3.9
135.04477	5.1
135.08032	6.0
137.05980	38.4
139.03882	4.8
139.07565	3.3
145.06476	10.8
147.04430	10.8
149.05992	9.6
151.07558	22.1
155.06964	3.8
157.06479	13.4
159.04349	3.0
159.08023	7.6
160.05212	6.9
160.91628	3.2
161.05968	16.3
163.07552	14.8
167.07065	32.6
168.04121	3.1
171.06541	8.3
174.06760	8.3
175.07530	100.0
176.07886	3.5
177.05508	32.9
177.09142	4.1
179.07040	9.1
181.04942	90.4
183.06544	15.1
187.07571	4.4
189.07475	4.7
189.09055	29.4
191.06931	4.4
195.08357	3.5
195.10226	15.4
196.10490	3.4
198.07730	3.9
199.08694	5.8
201.09106	13.7
207.06459	25.0
208.07216	6.8
209.08075	42.3
209.15318	4.3
213.10289	6.0
217.08633	5.1
219.10127	62.9
221.08012	7.9
227.08347	5.9
241.09692	13.9
245.12741	4.2
249.09248	10.5
255.11259	21.3
261.09113	9.0
263.07004	5.4
264.07895	4.0
265.08502	4.1
277.08554	11.3
279.10129	4.1
283.10834	16.2
309.11111	8.3
311.10101	9.3
313.11340	4.6
321.11346	5.8
329.11221	34.9
339.12473	16.1
341.13852	4.3
357.10397	15.8
359.14816	8.5
361.16644	3.7
371.14871	41.6
389.15887	17.1
389.21143	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.3
55.01872	30.7
56.05814	9.3
65.47318	9.0
67.05512	17.3
69.03426	37.4
70.17316	38.8
73.02903	27.7
73.27242	8.6
74.89452	9.2
79.05487	27.1
81.03396	22.1
81.07066	11.1
83.04983	21.1
84.04487	12.0
85.02892	62.5
86.09721	9.6
91.05484	39.2
93.07030	19.8
95.04967	21.6
97.02893	27.1
97.06554	13.0
104.52026	9.6
105.07037	22.5
108.08127	17.1
109.02884	12.9
110.09661	15.1
111.08076	14.1
112.73158	9.7
119.08601	18.2
120.08112	21.9
121.06563	11.7
126.01083	10.6
126.09111	9.0
127.03915	18.1
128.02640	13.2
129.06967	9.4
137.06024	10.9
138.09106	46.8
139.01653	8.7
140.10709	35.0
147.08051	55.0
153.01833	36.1
154.02173	17.1
156.13588	9.1
163.03886	19.2
165.09117	29.0
169.05226	15.1
171.07875	8.9
178.12296	15.0
190.12340	10.9
208.13397	27.0
214.84433	9.8
223.06792	10.7
226.07425	24.3
226.10748	10.8
226.14421	100.0
245.01129	11.5
313.85727	10.8
342.16974	9.8
360.85339	10.9
379.86191	11.0
388.19708	34.9
389.18143	13.5
398.21677	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	388.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09660	11.2
55.01859	20.4
55.24337	11.8
67.05466	17.0
69.07086	21.4
71.57496	18.2
81.03442	13.5
81.07040	23.5
83.04970	11.5
91.05467	34.6
93.07013	20.2
95.04906	13.8
95.08554	13.5
105.07054	17.0
107.04971	19.6
107.08585	14.6
109.02938	15.2
121.02885	14.4
121.10132	33.2
132.05243	15.9
133.10088	27.1
135.08072	15.0
137.05986	100.0
138.06287	60.2
142.73112	12.2
145.06468	15.1
151.07579	17.1
161.06064	14.6
164.04591	13.1
165.09204	15.6
167.06999	65.9
168.07327	15.4
175.07558	41.3
177.05428	15.3
181.04961	47.5
181.08508	15.0
182.05289	22.8
191.14275	19.9
207.06612	14.2
208.07562	97.3
209.08086	33.2
219.10147	20.8
221.28242	12.7
231.36992	12.2
318.45096	13.0
358.13977	14.2
388.14752	40.2
389.15829	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	389.1592
Annotation	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
51.02379	1.6
53.03957	2.7
55.01871	37.4
55.05501	4.7
57.03433	3.9
57.07069	3.2
65.03936	10.1
67.05491	11.5
69.03422	5.4
69.07066	4.4
69.43992	4.6
69.44429	6.5
69.87053	1.3
71.04996	2.8
78.04700	1.8
79.05486	7.9
81.01936	1.2
81.03414	2.9
81.07053	7.5
82.04200	4.6
82.91714	1.3
83.04978	2.3
83.08643	1.8
85.02901	11.7
85.06548	4.4
86.06203	1.2
91.05476	8.6
93.03378	1.8
93.07072	7.2
95.04963	9.7
95.08591	6.3
97.02889	3.3
97.06510	3.0
103.05462	16.2
105.07037	5.3
107.04935	9.0
107.08578	5.9
108.02096	1.1
108.18904	1.2
109.02880	3.0
109.06524	2.8
109.10159	6.5
110.03687	6.2
111.04467	4.8
111.08076	1.3
113.09648	1.5
115.05438	3.4
117.07037	3.2
118.04214	1.3
119.04968	1.7
119.08598	2.3
121.02885	2.7
121.06496	4.1
121.10146	5.5
122.03649	5.2
123.04396	6.4
123.08152	2.4
123.11677	2.2
124.05151	1.9
125.05963	4.3
125.09614	1.7
127.03974	1.6
128.06215	3.0
129.07027	8.7
131.04944	23.9
131.08607	1.9
132.05666	1.3
133.06483	3.5
133.10089	2.2
135.08022	2.2
135.11688	4.5
137.02390	2.1
137.05968	33.0
138.03119	2.9
138.06271	1.9
142.02618	4.0
145.06467	5.1
145.10112	2.5
147.04411	2.1
147.08154	1.6
147.11688	1.5
149.05954	11.7
149.90526	1.2
151.07556	3.5
152.04703	2.0
153.01836	4.0
153.05432	3.3
157.06519	7.8
159.04387	2.7
160.05190	4.2
161.05942	3.8
163.03867	3.2
163.07536	8.6
165.01849	2.4
167.07068	26.7
171.06554	8.5
171.07791	1.7
173.06017	1.7
174.06754	5.1
175.07576	19.0
176.04796	1.5
177.05476	36.8
177.09113	2.7
179.07117	1.8
181.04958	100.0
182.05284	2.4
183.02861	2.3
183.06476	2.5
185.06050	1.5
187.07538	2.4
189.09131	11.2
189.10652	2.0
191.07053	2.7
191.10655	2.0
191.17947	6.7
192.07503	2.7
195.02882	3.4
197.65849	1.5
201.09148	2.4
203.03365	1.9
205.08574	2.5
209.06079	2.9
209.08080	54.0
209.18990	2.1
210.08511	1.8
217.08521	6.2
218.07332	2.3
219.08203	2.0
219.10193	5.3
221.09723	2.2
227.20009	2.1
231.02910	2.9
234.06856	2.2
241.08585	1.3
247.07584	1.9
249.03969	3.3
249.09111	2.0
257.08182	2.8
261.09204	1.8
263.07077	1.8
269.08127	4.4
277.08640	5.6
291.09940	1.4
295.10107	1.3
309.11191	4.1
313.10706	1.4
318.89459	1.4
321.11145	2.6
323.09122	3.1
326.11609	1.5
339.12320	6.7
341.14001	3.2
353.10117	4.1
353.14029	1.5
357.13470	1.6
359.10495	1.4
359.14734	2.0
371.10400	3.7
371.14789	7.2
389.15924	35.5
390.15936	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2011
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.41367	4.4
53.03957	4.7
55.01856	6.8
55.05495	7.8
57.03416	6.5
61.02898	6.1
65.92421	5.6
67.05513	28.1
67.05827	5.9
69.03426	28.7
69.07050	8.9
71.04967	8.4
71.06564	12.2
72.47181	4.8
79.05492	14.4
81.03413	11.0
81.07057	24.1
83.04975	4.5
85.02895	76.4
85.06530	12.3
86.71572	5.2
91.05447	9.3
93.07018	13.6
95.04940	12.3
95.08598	89.7
97.02888	14.8
97.06510	6.6
99.04430	14.6
105.07024	21.7
107.08588	15.9
109.02872	13.5
109.06492	12.3
109.10136	20.5
112.41106	5.8
113.05970	6.5
119.08566	29.6
121.10117	20.9
123.08047	31.1
123.11697	47.3
125.05991	12.9
127.03891	17.7
133.10098	12.8
135.11656	17.0
137.05994	8.9
145.04988	8.8
145.10085	8.2
147.11647	18.5
149.09599	25.8
151.07558	27.0
161.13225	14.4
163.11188	21.5
165.12726	13.5
171.11664	6.3
189.12752	23.7
207.11903	11.2
207.13782	100.0
207.15724	6.1
225.14850	35.6
307.69510	5.1
311.73959	5.8
333.16617	7.6
351.17975	12.1
369.18817	8.0
387.16098	15.2
387.20425	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	387.3255
Annotation	11Z,14Z,17Z,20Z,23Z-hexacosapentaenoic acid
Peak:m/z	Relative Intensity
55.05500	7.4
57.07057	4.9
66.56252	5.5
67.05494	20.8
69.07053	21.9
71.58468	8.9
79.05480	13.4
81.07051	52.0
83.08597	6.3
84.57386	5.1
91.05480	17.1
93.07037	45.8
95.08614	58.1
96.43713	4.6
97.06528	9.5
97.10171	5.8
105.07063	25.5
107.08601	100.0
109.10152	47.4
111.08086	10.6
111.11717	5.7
119.08590	23.5
121.10132	54.0
123.11694	65.5
131.08562	8.9
133.10133	23.2
135.11684	22.5
137.13269	7.2
145.10135	9.1
147.11682	17.9
149.13289	28.0
151.59901	4.8
153.12772	7.4
159.11687	10.0
161.13243	19.0
163.14804	16.0
167.14279	26.1
172.96733	5.3
174.42072	5.8
175.14828	7.2
179.14331	10.7
187.14842	7.1
189.16367	15.7
191.18091	5.2
201.16458	11.6
203.17999	9.2
215.17867	7.0
219.17471	9.0
279.46332	5.8
289.89676	5.3
369.31549	17.8
387.32886	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	387.2011
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
53.03938	6.8
57.03443	6.6
61.02924	7.3
64.42773	5.8
67.05507	22.3
69.03426	40.3
71.04982	11.6
71.56797	11.1
77.44323	4.8
79.05483	8.7
81.03423	11.8
81.07070	28.8
83.05009	7.3
85.02900	94.0
85.06530	9.0
90.35242	5.4
91.05483	14.4
92.97040	5.3
93.07051	12.4
95.04977	5.6
95.08617	54.4
97.02899	16.8
99.04468	20.2
103.54674	5.5
105.07043	19.1
107.08577	15.9
109.02877	11.6
109.06509	17.1
109.10136	27.9
111.04501	6.3
113.06010	8.4
119.08583	28.9
121.10135	13.7
122.05991	6.0
123.08086	25.1
123.11687	71.5
125.06013	16.0
127.03931	24.2
131.08594	5.7
133.10115	11.5
135.11700	12.5
137.05922	5.5
144.14990	6.5
145.10135	5.8
147.11679	21.9
149.09616	18.2
151.07567	21.6
161.13217	7.1
163.11215	10.4
165.12750	10.9
189.12721	28.7
207.13788	100.0
209.05943	5.3
225.14864	25.3
333.17004	17.3
351.17996	15.4
369.18738	7.2
387.15933	7.1
387.20386	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	387.2011
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03944	3.6
55.01873	3.1
55.05502	4.2
57.03431	7.1
61.02914	6.7
67.05496	6.0
69.03429	20.4
69.07056	2.6
71.04982	6.8
73.02930	2.9
77.03956	2.3
79.05482	10.1
81.03414	11.3
81.07042	21.1
83.04975	4.9
85.02904	77.6
85.06543	6.9
87.04456	4.7
91.03966	2.9
91.05474	12.5
93.07030	11.0
94.04157	3.1
95.04967	9.7
95.08601	10.1
97.02898	16.1
97.06541	4.7
98.20740	7.9
99.04458	8.2
103.05464	8.5
105.07045	15.9
106.04185	3.4
107.04947	8.8
107.08585	11.7
109.02882	7.7
109.06506	8.4
109.10137	10.5
111.08097	4.3
115.03932	3.1
115.05435	4.3
119.04938	2.7
119.08544	12.5
121.06499	13.3
121.10141	13.4
122.03633	3.2
123.04420	3.2
123.08087	16.9
123.11716	30.6
125.05986	5.8
127.03932	11.4
131.04906	8.9
131.08545	5.7
132.05652	3.6
133.02892	4.1
133.06473	7.1
133.10115	8.9
135.08064	5.9
135.11731	3.9
136.38020	2.5
137.05960	50.6
137.09653	4.7
143.08551	3.3
145.04942	8.8
145.10123	8.4
147.08002	3.7
147.11690	6.0
149.05988	13.4
149.09636	9.0
151.03999	3.0
151.07547	31.1
151.11203	3.7
153.01863	3.0
161.05962	9.7
161.09575	7.0
163.03842	2.7
163.11166	52.7
165.12686	3.3
167.07077	16.4
169.08630	2.6
173.05948	3.5
175.07562	3.7
177.05481	22.7
179.03436	4.5
179.07069	5.2
180.07820	4.3
181.04970	15.6
181.12260	16.2
187.07538	3.2
189.12692	16.4
189.74030	2.6
191.07018	8.6
192.07896	4.7
193.04942	2.9
195.06601	3.4
203.07008	4.8
207.13797	100.0
208.04317	2.5
225.14835	24.5
233.07977	5.1
235.17027	2.3
252.07712	4.5
277.08612	4.0
313.10791	6.0
326.40451	2.7
327.12564	2.9
337.07104	3.5
337.10748	5.5
339.12442	3.1
355.11789	3.7
357.13162	5.8
369.09445	6.0
369.13663	4.0
369.19070	7.2
387.06155	4.1
387.15604	16.7
387.20401	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.3
53.03934	6.4
55.01862	6.1
55.05506	3.4
57.03422	7.5
59.05004	3.6
61.02920	4.3
67.05498	8.6
68.53615	2.1
69.03431	100.0
70.06598	2.3
71.05016	3.6
71.18392	2.1
71.18724	4.7
79.05492	20.2
79.26554	2.0
81.03423	19.7
81.07040	7.9
83.04974	3.5
85.02901	18.1
85.71828	2.0
87.04474	41.5
90.95564	2.1
91.05487	20.6
93.07044	51.9
95.04964	19.0
95.08594	9.9
97.02905	17.8
99.04453	8.2
105.05504	8.1
105.07007	6.2
107.04929	2.8
109.02876	10.0
109.06497	5.0
111.08084	9.5
115.03940	26.2
119.07693	2.2
119.08572	8.1
121.06509	14.5
121.10140	4.1
123.04424	6.3
123.08077	3.5
124.03950	5.4
127.03914	14.7
133.04968	37.3
135.08012	2.5
137.05969	6.9
139.07573	12.4
145.04955	7.0
145.06567	2.1
149.05939	2.3
153.01849	8.3
159.08061	2.7
161.13269	3.2
163.07556	2.8
163.11224	3.3
167.03419	2.9
167.07036	53.0
177.05455	3.9
189.12706	5.7
193.08658	2.8
205.08698	2.4
207.13831	12.8
225.14825	11.7
265.10898	2.7
272.26733	2.5
302.55368	2.5
355.12051	2.5
375.05356	2.3
387.11636	3.4
387.16333	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1437
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
53.03947	0.8
55.01862	1.9
55.05497	0.7
65.03927	2.5
67.05488	1.9
69.03431	1.2
69.07059	0.9
69.43744	4.6
69.44153	1.2
75.58459	0.6
79.05480	2.8
81.03407	0.7
81.07059	1.6
82.04206	0.6
85.02891	0.9
85.06513	0.6
91.05475	2.6
93.03442	1.1
93.07057	1.4
94.04199	3.3
95.04966	2.2
95.08592	0.7
97.06509	1.1
103.05473	2.8
105.07014	1.8
107.04954	2.7
107.08595	0.9
108.02116	0.8
109.06483	0.9
109.10151	1.0
110.03648	0.8
111.04394	0.9
115.05457	2.2
117.07008	1.8
118.04074	0.6
119.04935	0.7
119.08509	0.7
121.06478	0.7
122.03642	8.7
123.04436	1.4
125.05998	1.1
129.06996	0.8
131.04939	2.4
133.06491	1.3
135.04396	0.9
136.73238	0.7
137.05974	100.0
138.06300	0.9
143.04932	3.2
145.06410	3.7
148.05197	1.3
151.03888	6.2
151.04974	0.8
153.05467	1.3
161.06007	1.7
163.07530	2.6
165.05481	1.0
165.06970	1.3
167.07047	17.5
171.04364	0.7
171.06575	1.0
173.06038	3.7
175.07547	1.7
177.05518	1.0
177.09145	0.8
178.07808	0.9
179.07014	0.8
179.08510	0.8
181.04959	26.8
181.06412	1.7
187.07564	1.2
189.07065	0.8
191.07024	7.6
191.08603	1.0
194.07222	1.0
195.06378	0.8
199.07552	0.6
203.06993	3.0
205.06636	1.4
205.08644	2.6
207.08125	0.9
212.08212	0.8
219.08115	1.2
221.06024	0.8
221.09802	0.9
222.06813	1.2
223.07579	1.1
227.07031	0.8
233.08125	2.3
234.06755	1.4
235.07524	2.3
235.09650	2.2
237.05588	0.6
237.09135	1.9
238.06245	0.7
239.07086	1.1
247.07500	1.0
249.05466	0.9
249.09117	1.0
250.06285	1.1
251.07074	1.8
252.07816	0.9
253.08737	1.1
263.07068	1.6
264.07864	1.5
265.08575	6.3
266.09354	1.6
268.07309	1.4
275.07175	0.7
276.07895	0.8
277.08603	1.6
278.09189	0.8
279.10147	0.7
280.07404	0.9
280.10861	0.7
281.08035	1.5
283.09415	1.3
285.07584	0.9
291.10272	0.8
293.08142	1.1
294.08795	0.7
295.06161	1.2
296.10355	0.9
305.08182	2.0
307.09659	1.7
309.11136	5.0
313.07132	1.1
319.09387	1.5
323.05463	1.2
325.07254	0.7
325.10779	2.0
327.12250	1.9
337.10757	3.5
339.12305	2.4
341.06616	1.4
341.10272	0.8
341.13974	0.9
342.10980	0.6
351.12234	2.2
355.11789	1.2
357.13321	12.0
369.13367	1.8
387.14386	47.5
388.14935	0.8
407.27594	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1436
Annotation	Magnolone
Peak:m/z	Relative Intensity
50.70221	0.7
53.03930	1.2
53.71596	0.6
55.01870	1.7
55.05505	2.1
55.94656	0.8
57.03428	1.3
57.07054	0.8
65.03930	3.2
67.05505	6.5
69.03414	1.2
69.07058	2.5
71.04985	1.2
71.57413	1.1
79.05476	4.3
81.03416	1.7
81.07051	6.2
84.97869	0.7
85.02892	2.0
91.05494	4.1
93.07026	2.9
94.04210	3.6
95.04957	1.9
95.08601	3.4
97.06536	1.7
103.05459	2.9
105.03354	0.9
105.07029	2.5
107.04968	2.2
107.08575	2.7
108.16892	0.7
109.02899	0.8
109.06507	1.2
109.10149	2.8
110.03658	1.4
115.05454	3.1
117.07021	3.3
119.08556	0.8
121.06459	0.9
121.10130	2.8
122.03651	7.1
123.04422	1.5
125.05945	1.5
127.03872	0.9
129.07013	1.0
131.04944	3.5
131.08588	0.7
133.06450	1.3
133.10054	0.8
137.05971	100.0
138.03166	1.0
143.04947	2.4
145.06493	3.1
147.11612	0.8
148.05190	1.8
151.03906	9.2
151.05014	0.9
151.07515	1.1
161.06006	1.1
161.84689	0.8
163.07599	2.9
165.05457	0.9
165.09027	0.8
167.07045	13.8
171.06537	2.3
173.05975	4.0
173.11855	0.8
175.07570	2.1
177.05502	1.6
181.04947	36.5
191.07019	9.6
195.06578	0.9
203.07007	1.8
205.06618	0.9
205.08592	1.9
215.07091	0.8
233.08084	1.8
235.09653	2.7
249.09081	1.2
259.20316	0.7
285.07480	0.8
287.17212	0.9
295.09769	1.1
297.07233	0.7
309.11041	0.8
325.10791	0.8
337.10843	0.9
351.12317	2.2
355.11780	0.9
357.13333	8.5
369.13397	1.9
387.06940	1.0
387.14417	22.4
387.19223	1.6
387.27603	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1435
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03944	0.6
55.01858	1.8
55.05482	0.6
57.81531	0.3
65.03928	2.5
67.05491	1.4
69.03416	0.8
69.07035	0.3
71.04996	0.6
78.04693	0.4
79.05488	2.0
80.47078	0.4
81.03410	0.9
81.07027	1.3
82.04182	0.6
85.02912	1.8
87.85199	0.4
91.05452	2.0
93.07040	0.8
94.04175	4.4
95.04953	1.3
95.08591	0.7
97.06526	8.1
99.30445	0.4
103.05460	2.5
105.07010	1.1
106.04146	0.4
107.04928	1.9
107.08576	0.9
108.02075	0.6
109.02833	0.4
109.06503	0.8
109.10171	0.5
110.03620	0.8
111.04413	0.8
111.08105	0.6
115.05458	1.9
117.07024	2.1
118.04176	0.5
119.04883	0.5
121.10137	0.5
122.03641	8.7
122.85561	0.4
123.04448	0.4
124.05282	0.4
125.05932	1.0
129.06938	0.5
131.04930	2.3
133.02838	0.7
133.06468	0.5
135.08043	0.4
137.05968	100.0
138.03151	0.7
138.06310	1.1
141.05406	0.6
143.04921	3.2
145.06485	3.1
147.08054	0.5
148.05164	1.4
149.05992	0.7
151.03897	7.8
151.04991	0.6
153.05518	0.5
155.06058	0.5
160.05258	0.6
161.05948	0.7
163.07553	2.6
165.05490	0.6
167.07031	11.6
171.04308	0.4
171.06531	1.7
173.05995	3.2
175.07571	1.0
181.04950	24.5
187.07480	0.6
191.07019	10.6
192.07683	0.4
203.07004	2.1
205.08611	2.3
217.08537	0.5
233.08104	1.4
235.09656	2.4
249.09128	0.4
277.08652	0.5
293.55899	0.4
309.11261	0.6
314.11542	0.6
327.12253	0.8
351.12347	0.8
355.11728	0.6
357.13312	10.5
369.13345	0.5
369.53726	0.4
387.14359	19.7
388.14688	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41526	2.3
65.03902	2.2
68.40796	2.0
69.03413	2.3
69.68738	13.9
70.06583	6.9
76.09979	2.3
81.03440	2.3
85.02922	3.5
85.51048	2.4
97.02876	3.1
111.63142	2.2
128.04938	4.1
132.49864	2.0
143.78175	2.4
146.06010	100.0
148.03923	2.3
153.01826	3.6
190.05014	16.5
207.13852	4.3
208.06021	8.7
296.79916	2.1
387.12024	5.4
387.16617	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1434
Annotation	Magnolone
Peak:m/z	Relative Intensity
52.17846	0.5
52.97252	0.5
53.03940	1.3
55.01874	0.8
57.03432	1.3
61.02920	1.0
61.39654	0.5
65.03925	1.2
67.05493	1.5
69.03413	3.8
70.06580	0.5
70.97173	1.8
71.04973	0.5
73.02908	0.7
73.04877	0.7
79.05482	2.2
81.03420	1.7
81.07049	1.6
85.02908	7.3
85.06527	0.8
87.04438	0.9
91.03932	0.8
91.05483	3.3
93.07031	2.2
94.04173	3.3
95.04964	2.2
95.08605	1.4
97.02882	2.4
97.06520	0.7
99.04449	1.3
103.05450	0.7
105.07032	3.5
107.04955	1.5
107.08572	1.5
109.02870	1.3
109.06490	1.5
115.05447	1.7
117.07004	1.6
119.08574	3.2
121.06493	1.1
121.10139	1.4
122.03645	8.4
123.04501	0.9
123.08099	2.9
125.05973	1.0
127.03915	2.0
129.06918	0.6
131.04901	0.8
131.08548	1.0
131.47206	0.5
133.10106	1.8
135.08063	1.5
137.05972	100.0
138.06311	1.3
143.04886	2.6
145.04961	0.8
145.06453	2.8
145.10165	1.2
147.08049	0.7
147.11711	4.4
149.05931	0.6
149.09636	0.8
151.03899	2.4
151.07542	1.8
153.01804	0.6
155.06000	1.0
161.09601	0.9
161.13240	1.4
163.11183	2.4
165.09090	0.7
165.12762	3.1
167.07040	11.6
171.06551	0.7
173.06015	3.3
175.07582	1.7
177.05438	0.7
179.14282	0.7
181.04951	12.8
181.12236	1.6
187.03604	0.7
189.12788	1.2
191.07040	0.6
203.07030	2.6
205.08611	2.3
207.13774	16.5
225.02100	0.9
225.14775	3.5
233.08101	1.6
235.09673	1.6
252.26543	0.5
265.66010	0.6
293.08041	0.6
337.10730	0.6
357.13333	12.8
369.13583	0.7
387.14401	24.2
387.19846	3.4
388.14859	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
55.01880	1.8
60.97392	1.2
65.03933	2.8
66.70218	1.2
67.05492	3.1
69.03412	2.5
69.07085	1.9
70.13630	6.1
75.98734	1.3
77.03925	1.8
78.04697	1.4
78.60057	1.1
79.05488	4.3
81.03411	2.6
81.07037	3.9
85.02893	2.7
91.05470	11.4
93.07032	2.4
94.04170	4.1
95.04958	14.9
95.08611	2.5
97.06512	1.7
99.04435	2.1
102.04685	27.8
103.04886	1.8
103.05466	18.5
105.03343	3.5
105.07015	9.5
106.04144	1.5
107.04899	6.3
107.08592	2.8
108.02032	1.4
109.02866	1.3
109.06499	2.2
109.10154	1.7
111.04439	1.3
115.05462	9.1
117.07040	6.1
117.81529	1.2
118.04196	1.9
119.04941	12.2
119.08561	2.6
121.02861	2.7
121.06497	4.2
122.03668	7.5
122.48994	1.2
123.04430	11.7
123.08011	1.7
124.05205	2.8
125.05981	1.6
130.04146	39.1
131.04924	65.8
131.08588	1.3
132.05661	3.0
133.02861	6.6
133.06482	9.8
135.04416	8.8
135.05267	1.4
137.05974	98.1
143.04913	3.7
144.05621	1.7
145.06483	33.9
146.03613	3.6
147.00787	1.4
147.04408	48.7
148.01552	4.3
148.05188	2.1
149.02321	4.4
149.05960	6.9
150.06752	14.1
151.03865	11.5
151.07468	1.9
155.06015	3.4
161.02313	5.9
161.05977	25.7
162.06755	100.0
163.03918	10.3
163.07556	10.8
165.01817	3.1
165.06982	4.7
167.07030	22.1
173.05951	3.5
177.05435	2.0
179.03389	17.0
179.07013	3.1
181.04967	13.5
181.06386	2.7
191.03371	1.8
191.06990	5.3
193.06485	2.2
194.02260	1.6
194.07309	1.5
203.06996	3.2
204.04050	1.6
205.08627	3.1
206.07431	1.6
207.02864	25.6
207.08153	1.7
209.04442	15.7
209.06198	2.6
210.06721	4.3
219.08133	1.9
221.06013	10.2
222.06610	2.4
225.14838	1.6
229.04842	2.4
233.08113	1.7
234.06703	2.2
235.07497	1.8
235.09729	3.3
236.68512	1.4
237.05392	2.4
238.06284	2.3
247.07567	1.9
249.05365	8.7
249.09258	1.6
250.06180	5.5
253.08543	2.0
263.05212	1.6
265.05090	1.3
265.08530	2.6
266.05713	5.1
273.29950	1.4
277.05048	5.5
277.08551	2.0
281.08054	3.1
294.05176	3.5
295.06119	1.6
305.07831	1.8
309.07553	4.3
322.04782	1.8
337.07047	91.0
337.10422	3.7
338.07498	4.4
339.12253	1.8
343.11386	1.4
357.09488	5.3
357.13315	10.3
369.09552	10.5
369.13535	1.9
387.10522	15.8
387.14417	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	386.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	5.8
59.46957	3.2
64.27570	3.3
66.00454	3.2
67.05500	5.3
69.07077	4.7
70.89316	6.5
79.05468	9.6
81.07043	8.7
85.02894	10.0
91.05470	12.5
93.07021	8.5
95.04987	7.7
95.08613	6.6
96.64430	3.3
105.07034	28.3
107.04954	4.3
107.08563	17.7
109.06513	9.5
111.04378	3.3
117.07025	6.5
119.08572	42.4
121.10101	20.8
122.03642	5.4
123.08096	4.7
123.11629	5.5
124.83688	3.5
128.06168	3.5
129.06996	4.7
131.04898	3.7
131.08543	20.5
133.10117	13.7
135.08064	41.7
135.11668	6.6
137.05971	96.7
137.09688	3.4
141.06932	5.0
143.04832	3.7
143.08571	20.8
145.06439	4.9
145.10098	15.5
147.08072	30.2
147.11693	28.3
149.09612	15.0
151.03883	5.6
156.09348	32.0
159.11725	5.8
161.13243	13.0
165.09077	4.2
167.07047	17.1
171.11703	67.2
173.05956	4.7
174.10333	6.3
181.04904	17.6
189.09242	4.2
189.12749	52.4
191.07080	7.7
199.96915	3.7
207.13794	100.0
357.13278	11.6
387.14557	20.7
401.98181	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	386.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.8
55.05504	1.8
62.98935	1.5
69.03436	3.9
71.04988	2.5
71.15874	3.7
71.16193	1.9
79.05476	1.8
81.07056	4.6
83.04977	3.1
84.04519	1.8
85.02901	11.0
85.06573	1.6
91.05476	6.2
93.07059	1.6
95.08616	2.3
97.02869	2.1
99.35749	1.7
105.07041	11.1
107.08591	2.1
109.02870	1.6
109.06492	3.1
109.10168	3.1
111.04500	2.0
118.26008	1.7
119.08581	14.4
121.06436	2.0
121.10152	3.4
122.06030	12.0
123.11710	6.5
131.08540	3.1
133.06502	7.5
136.21227	1.7
137.05977	2.2
145.08978	2.6
145.10121	17.4
147.08000	2.8
147.11688	27.1
150.09166	1.8
156.09369	5.5
158.02853	1.5
159.08081	2.3
160.11270	3.3
160.49654	1.6
165.64133	1.6
171.11656	3.8
174.10390	1.9
180.13849	1.7
188.10762	2.4
189.12738	100.0
204.10179	1.9
206.11703	16.5
206.15477	5.1
207.13782	19.0
223.13342	2.6
224.13066	3.2
224.16391	9.1
250.13216	1.8
333.16202	1.9
368.17023	2.0
369.40146	1.9
386.18094	14.0
387.15976	2.6
393.01563	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
53.38103	1.7
55.01877	2.2
55.05502	8.7
57.03427	4.6
57.07071	19.2
61.02915	5.1
65.03923	2.0
67.05489	4.2
69.03430	15.4
69.07036	3.2
70.06569	2.5
71.05000	4.0
71.57152	2.8
72.54213	1.5
73.02915	1.9
76.34792	1.6
79.05478	6.5
81.03420	6.9
81.07063	10.6
83.04975	1.8
83.08620	3.9
84.51660	1.5
85.02427	2.9
85.02902	31.5
85.06526	3.6
87.04449	2.5
89.06032	85.3
91.05474	13.5
93.07040	7.6
95.04978	14.5
95.08609	3.8
97.02871	10.7
97.06535	3.2
98.48983	1.9
99.04446	3.5
101.09652	15.7
103.05445	2.3
105.07024	7.1
105.07697	2.0
107.04965	3.7
107.07061	7.1
107.08582	5.2
109.02849	3.5
109.06497	3.7
111.04426	2.2
117.06992	3.0
119.08588	4.7
121.06501	2.5
121.10146	3.8
122.03638	3.6
123.04433	3.3
123.08071	10.4
127.03903	7.8
131.04916	4.5
131.08531	2.7
133.06482	3.5
133.08611	26.4
134.71985	1.9
137.02422	1.8
137.05981	32.9
137.09621	3.1
139.07523	3.1
145.04971	6.1
145.06418	2.8
145.10103	4.9
145.12239	18.1
147.04446	2.4
147.08084	1.9
147.11684	2.4
149.05902	2.0
149.09605	2.1
151.03920	8.0
151.07594	11.7
151.09642	37.5
153.01924	3.9
153.05489	2.5
161.05992	4.7
161.09637	2.2
163.07506	1.9
163.11183	13.7
165.09102	2.0
167.07033	10.0
168.07457	2.8
175.07460	2.4
177.05472	3.5
177.09091	2.3
179.01813	2.0
181.04974	6.3
181.12221	7.5
189.09142	3.0
189.12708	4.6
191.07056	2.8
191.10666	6.3
203.06958	2.2
205.08580	2.9
207.13853	22.2
207.15916	100.0
208.16226	4.0
225.14876	5.7
249.14841	4.9
275.03040	1.8
287.05734	4.1
288.05838	8.4
297.11319	2.0
312.05875	6.9
341.06396	2.0
357.13406	3.9
369.09854	2.3
386.13144	15.4
386.18011	3.6
387.14270	11.2
387.19788	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	386.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02494	1.6
53.03939	7.5
55.01864	12.2
56.05038	3.5
57.03436	8.4
61.02922	15.4
67.05488	5.4
69.03426	46.8
71.04984	4.6
71.57288	3.1
73.02924	8.0
79.05492	7.7
81.03413	15.4
81.07069	2.0
83.01352	3.2
85.02902	77.2
87.04463	9.4
87.65221	1.7
91.03951	5.5
91.05457	8.7
93.07056	9.5
95.04969	4.3
97.02888	36.0
99.04469	7.1
103.05476	7.7
105.07034	24.6
107.04965	5.5
109.02885	7.9
109.06521	2.4
111.04500	2.4
115.05469	6.6
117.07018	5.8
118.04160	6.5
119.04940	3.1
119.08562	2.6
121.06497	20.1
123.04425	2.5
123.08078	2.6
124.05157	2.9
125.05991	3.1
127.03906	22.8
131.04922	3.6
132.05754	1.8
133.06480	23.3
135.08057	4.8
137.05949	12.8
138.06784	3.3
145.04987	10.5
145.06474	3.5
146.07283	14.0
147.08070	4.8
148.05202	6.3
149.05948	13.3
149.65475	1.7
150.06758	9.5
151.07527	8.7
153.01843	2.4
153.05518	5.8
153.09119	12.0
161.04630	2.8
161.05977	36.6
162.06731	3.8
163.07526	8.4
164.08344	11.4
165.05493	3.2
165.09093	19.7
166.06320	3.9
167.07066	5.0
168.07794	8.2
171.54073	1.8
175.07535	6.5
176.06924	1.4
176.08319	77.6
177.05554	6.0
177.09105	100.0
178.09732	1.6
179.07066	5.0
180.07782	10.0
181.08585	63.5
182.09190	2.1
189.12823	1.9
191.06952	9.1
192.07825	9.5
193.08595	79.0
194.09254	2.0
195.10158	31.3
196.10939	60.2
206.11742	2.2
207.10168	58.7
207.12073	3.3
208.10931	61.9
209.08084	7.6
209.11612	4.7
222.08878	5.1
223.09633	38.0
224.10429	33.9
224.12523	3.3
354.70551	1.9
386.08795	2.1
386.19199	2.2
395.43976	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	386.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01860	0.9
57.03428	1.5
58.06586	1.9
61.02917	2.2
69.03439	6.2
71.04967	0.8
73.02898	1.2
79.05489	1.8
81.03400	2.9
85.02436	1.3
85.02909	15.4
87.04443	0.8
91.05493	4.0
97.02885	5.5
98.20729	1.9
99.06826	0.8
103.05470	6.1
105.07035	16.2
107.04964	2.1
108.86271	0.6
109.02903	0.9
117.06971	1.1
118.06560	5.3
120.08107	11.8
127.03905	2.5
128.06192	2.2
131.04951	2.0
131.07292	1.3
131.08603	1.1
132.08136	1.3
132.44655	0.7
143.08551	2.3
145.04947	1.9
148.11174	0.9
160.11223	60.3
161.11598	1.4
178.12274	54.2
179.12613	1.1
203.34061	0.7
206.08421	0.7
206.11772	10.5
210.83031	0.7
224.12819	100.0
225.13109	2.6
305.15793	0.7
336.74710	0.8
386.18369	4.7
387.16544	1.3
408.75259	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	11.2
57.07069	6.1
58.69527	5.5
67.05486	31.1
67.64438	4.6
69.07075	34.2
71.04993	10.0
71.57755	8.8
79.05494	15.3
81.07057	67.1
83.08614	16.8
85.06543	87.3
91.05484	15.2
93.07035	39.4
95.08601	100.0
105.07013	29.4
107.08582	49.6
109.10176	38.4
119.08595	33.3
121.10146	51.4
123.11710	16.8
133.10156	18.4
135.11688	34.4
137.13249	8.6
145.10236	9.1
146.05595	4.9
147.11708	23.6
149.13245	25.6
149.34306	7.2
158.56898	5.8
159.11716	8.7
161.13266	17.9
163.14824	15.7
173.13252	7.9
175.14793	12.4
177.16400	9.4
183.15428	5.4
187.14864	7.3
189.16339	9.9
191.17892	47.8
193.15974	7.8
203.18028	18.5
217.19522	18.8
257.22684	7.0
284.74255	5.0
319.77527	5.3
385.29346	20.5
385.34631	50.7
402.24265	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	385.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	10.0
63.91859	3.6
64.90534	3.7
65.03944	3.9
67.05492	29.8
67.16889	3.5
69.07069	33.1
70.41280	4.2
71.04977	14.0
71.58115	5.5
79.05490	23.2
81.07052	63.3
83.08602	15.0
85.06017	5.4
85.06536	86.4
91.05472	16.1
93.07047	52.1
95.04963	5.8
95.08602	100.0
97.06509	7.7
97.10163	7.0
99.61267	3.4
105.07017	36.3
107.08596	61.9
109.10152	54.8
111.08030	5.4
119.08580	33.3
121.10129	52.3
123.11658	26.6
131.08530	4.7
132.82661	3.9
133.10150	24.7
133.82655	4.0
135.11658	24.9
137.13228	9.3
145.10123	11.3
147.11656	27.4
149.13226	24.6
154.13490	3.8
159.11687	9.5
161.13263	22.2
163.14812	18.0
173.13232	7.0
175.14784	15.8
177.16391	15.6
181.15863	4.0
187.14781	7.8
189.16380	13.1
191.17958	43.8
193.15872	10.1
195.17522	6.2
201.16321	6.6
203.17960	19.2
205.19427	7.1
215.17802	3.9
217.19598	21.5
257.22595	7.3
306.87280	3.8
385.29932	15.2
385.34616	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	385.3099
Annotation	SESQUICANNABIGEROL
Peak:m/z	Relative Intensity
53.03941	2.0
55.01859	2.2
55.05508	18.9
57.07056	4.4
59.05004	1.5
65.03929	2.7
65.74331	1.4
67.05502	25.6
69.03433	2.3
69.07065	24.8
71.04996	4.7
71.08633	1.6
71.58018	2.6
79.05496	18.9
81.07055	59.3
83.04984	2.3
83.08624	10.3
85.06527	9.3
91.05483	13.3
93.07045	45.9
93.07630	2.3
95.04964	4.9
95.08605	100.0
96.08894	1.4
97.06518	3.5
97.10156	7.1
99.04452	5.2
101.06018	2.6
105.06384	2.6
105.07035	31.7
105.07694	2.8
107.08592	55.5
109.06521	6.9
109.10152	41.7
111.08079	3.5
117.07021	6.9
119.08576	36.1
121.06522	2.7
121.10138	54.6
123.08070	4.0
123.11714	17.9
127.07558	6.2
129.06958	2.9
131.08568	16.1
133.10123	26.7
135.08107	2.5
135.11693	44.5
135.12721	2.8
137.09622	19.1
137.13293	9.5
139.11183	1.8
139.14597	1.4
143.08554	4.7
144.09335	1.8
145.10118	22.1
147.11690	21.9
149.09657	2.4
149.13252	19.6
151.14810	3.0
155.10646	9.1
157.10114	5.7
158.10999	1.5
159.11700	26.2
161.09677	1.6
161.13246	18.5
163.11221	2.7
163.14859	9.6
165.09218	1.4
165.12816	1.4
169.10114	2.8
171.11618	6.8
173.13228	17.4
174.45323	1.3
175.14850	15.9
177.09097	2.6
177.12825	3.9
177.16368	6.6
179.10622	1.3
181.12280	4.3
185.13353	3.8
186.14111	1.7
187.14830	18.8
189.16397	18.2
191.17941	47.6
195.11784	1.7
195.13837	3.7
197.13297	2.1
199.14877	4.5
201.16388	14.6
203.17958	7.6
207.13744	2.2
209.13322	2.3
209.15286	2.4
213.16400	3.1
214.17015	1.6
215.17943	10.6
217.19606	4.7
227.17900	1.7
229.19501	19.2
231.21066	39.2
232.21336	1.7
233.15570	1.5
235.16956	2.5
243.21121	3.1
247.16878	1.7
249.18646	2.1
257.22626	45.0
271.24170	20.2
275.20148	1.7
285.25946	2.3
297.22272	1.7
315.23218	4.6
325.25296	1.9
329.24832	2.7
343.26392	2.6
367.26382	1.9
367.30273	2.5
385.23529	6.1
385.31085	87.3
386.31320	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29303	1.4
53.03952	3.3
55.01875	3.8
55.05508	1.7
57.03428	3.5
61.02926	5.3
67.05494	2.2
69.03432	16.1
71.05009	2.3
71.57082	1.5
73.02936	2.2
79.05497	3.6
80.12254	1.3
81.03422	6.6
81.07076	6.5
85.02907	39.5
85.22788	1.4
87.04466	2.2
91.05478	7.7
93.07048	4.8
95.04971	3.7
95.08575	2.3
97.02908	10.4
99.04449	4.9
105.07038	8.9
107.07973	1.5
107.08590	7.7
109.02894	5.2
109.06516	2.2
109.10197	1.4
111.04426	2.6
111.08080	1.8
115.05519	1.6
117.07070	2.5
119.08604	6.8
121.06513	6.1
121.10149	4.8
122.58256	1.3
123.04448	2.1
125.06004	2.9
127.03905	9.3
129.06972	1.9
131.08572	2.5
133.10155	1.5
135.08054	7.9
137.05995	2.2
139.07530	2.9
144.09366	1.7
145.04944	3.4
145.10168	1.6
147.08060	4.6
147.11694	4.3
149.09641	8.9
153.01836	4.2
159.11714	4.5
163.07558	11.4
167.07059	2.7
177.09154	3.4
179.10660	8.7
181.05095	1.8
187.11279	1.9
190.09845	2.3
205.12233	100.0
206.12628	1.5
207.13815	2.7
211.05975	1.6
223.09741	2.8
223.13286	78.1
224.13824	1.8
238.05359	6.8
239.05669	14.3
289.03448	4.4
367.11710	1.4
385.14185	7.8
385.18863	3.1
386.18909	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.8
55.01870	28.0
55.05509	100.0
57.03439	27.3
67.05505	87.3
69.03419	18.0
69.07063	25.1
70.25609	4.9
70.26010	9.7
71.04996	6.8
71.08624	27.4
79.05490	73.9
81.03415	24.4
81.07058	79.8
83.04985	33.5
83.08618	56.7
85.02898	3.9
85.06532	4.7
91.05484	43.4
93.07046	51.9
95.04970	47.1
95.08611	33.0
97.06524	14.6
97.10165	59.1
98.20814	4.5
99.04462	4.9
99.08092	25.0
103.05426	4.9
105.07041	24.9
107.04952	22.8
107.08592	49.7
109.06516	10.1
109.10168	28.2
111.04435	24.8
111.08078	13.7
113.09659	3.2
115.05492	3.5
117.06995	23.1
119.08583	28.9
121.06518	8.7
121.10136	23.8
123.08054	7.4
123.11736	5.1
125.09625	66.0
128.06238	4.3
129.07018	9.4
131.08537	18.8
133.06519	4.1
133.10129	15.1
135.04507	3.8
135.08073	12.1
135.11693	13.4
137.09613	4.3
139.11145	4.9
143.05000	3.6
143.08549	8.1
143.10684	4.8
144.05757	3.9
145.06529	7.4
145.10129	20.9
147.08061	4.8
147.11678	10.9
149.02301	3.9
149.09657	13.1
149.13255	6.3
151.07643	3.7
151.11244	7.7
153.09134	14.2
153.12773	7.0
155.08577	6.0
157.10172	9.0
159.08060	4.5
159.11711	7.4
161.06030	5.8
161.09651	8.0
161.13373	3.9
163.11153	36.5
165.09138	7.0
165.12747	7.2
167.07088	6.2
167.10782	3.6
169.10056	6.0
171.08133	3.4
171.10272	3.7
173.09630	7.6
175.07597	4.0
177.12704	7.4
181.12148	8.2
189.11206	61.3
191.10622	3.2
193.04987	5.3
193.12253	13.5
195.13847	10.3
207.07997	3.7
211.13303	3.3
221.19156	3.7
223.13347	12.3
227.12845	13.5
235.07506	5.0
247.20612	4.9
257.19168	6.1
258.28259	3.2
275.20081	30.8
293.21118	74.4
311.22083	3.4
323.09003	4.6
353.09888	5.6
355.11597	3.9
367.22800	6.0
385.13065	16.6
385.23328	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	385.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.8
55.01870	28.0
55.05509	100.0
57.03439	27.3
67.05505	87.3
69.03419	18.0
69.07063	25.1
70.25609	4.9
70.26010	9.7
71.04996	6.8
71.08624	27.4
79.05490	73.9
81.03415	24.4
81.07058	79.8
83.04985	33.5
83.08618	56.7
85.02898	3.9
85.06532	4.7
91.05484	43.4
93.07046	51.9
95.04970	47.1
95.08611	33.0
97.06524	14.6
97.10165	59.1
98.20814	4.5
99.04462	4.9
99.08092	25.0
103.05426	4.9
105.07041	24.9
107.04952	22.8
107.08592	49.7
109.06516	10.1
109.10168	28.2
111.04435	24.8
111.08078	13.7
113.09659	3.2
115.05492	3.5
117.06995	23.1
119.08583	28.9
121.06518	8.7
121.10136	23.8
123.08054	7.4
123.11736	5.1
125.09625	66.0
128.06238	4.3
129.07018	9.4
131.08537	18.8
133.06519	4.1
133.10129	15.1
135.04507	3.8
135.08073	12.1
135.11693	13.4
137.09613	4.3
139.11145	4.9
143.05000	3.6
143.08549	8.1
143.10684	4.8
144.05757	3.9
145.06529	7.4
145.10129	20.9
147.08061	4.8
147.11678	10.9
149.02301	3.9
149.09657	13.1
149.13255	6.3
151.07643	3.7
151.11244	7.7
153.09134	14.2
153.12773	7.0
155.08577	6.0
157.10172	9.0
159.08060	4.5
159.11711	7.4
161.06030	5.8
161.09651	8.0
161.13373	3.9
163.11153	36.5
165.09138	7.0
165.12747	7.2
167.07088	6.2
167.10782	3.6
169.10056	6.0
171.08133	3.4
171.10272	3.7
173.09630	7.6
175.07597	4.0
177.12704	7.4
181.12148	8.2
189.11206	61.3
191.10622	3.2
193.04987	5.3
193.12253	13.5
195.13847	10.3
207.07997	3.7
211.13303	3.3
221.19156	3.7
223.13347	12.3
227.12845	13.5
235.07506	5.0
247.20612	4.9
257.19168	6.1
258.28259	3.2
275.20081	30.8
293.21118	74.4
311.22083	3.4
323.09003	4.6
353.09888	5.6
355.11597	3.9
367.22800	6.0
385.13065	16.6
385.23328	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	385.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22567	2.4
54.17842	2.2
54.61477	2.5
55.05504	4.5
57.03429	2.3
67.05503	4.8
69.03421	9.8
69.07074	4.1
70.06586	2.8
79.05501	9.3
81.03424	5.9
81.07052	10.6
81.63564	2.2
83.04958	4.1
85.02911	19.5
87.97282	2.4
91.05473	8.0
93.07047	9.7
95.04970	10.7
95.08595	4.5
97.02904	7.4
97.06548	3.2
99.04468	3.1
99.08039	2.7
105.06993	6.2
107.04961	3.9
107.08595	8.1
109.02885	6.4
109.06519	5.6
111.04424	3.8
117.06967	3.5
119.08602	7.5
121.06482	3.3
121.10151	7.6
125.05974	4.6
127.03895	2.8
131.08569	4.6
135.11716	5.4
137.02376	12.3
137.05930	14.7
139.07533	4.0
143.08632	2.6
145.10176	6.1
147.08128	3.6
151.07535	3.6
153.01826	11.4
159.11748	7.8
161.05927	4.1
161.09618	6.9
163.07562	3.7
163.11177	57.8
167.07039	50.8
175.07529	4.7
175.11096	3.1
187.11143	2.7
188.11380	3.0
205.12212	37.9
205.15945	2.5
207.08138	2.6
223.13300	17.0
260.03580	2.7
286.42218	2.6
287.05487	100.0
288.05801	4.5
311.05496	48.4
312.05939	4.5
325.06732	4.2
338.07919	2.8
339.08655	6.3
341.09662	3.9
341.14114	2.9
367.11713	4.8
385.12762	93.4
385.18289	87.9
386.13153	11.2
386.18271	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	385.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01860	1.8
55.05503	0.9
56.05786	0.8
57.03445	4.9
61.02916	3.8
65.03954	0.9
66.04845	0.9
67.05502	2.0
69.03429	15.2
69.07043	0.9
70.88800	2.8
71.01366	0.9
71.04993	2.2
73.02907	3.6
75.18620	0.9
79.05478	4.0
81.03416	5.6
81.07056	2.8
83.04975	2.3
84.64489	1.0
85.02904	60.8
85.06557	5.6
86.91370	0.8
87.04449	4.0
91.03955	1.6
91.05495	3.9
93.07034	11.5
95.04948	2.2
95.08594	1.7
97.02891	10.5
99.04443	2.1
105.07047	6.2
105.46393	0.9
107.04969	1.1
107.08572	7.3
109.02876	2.9
109.06506	2.6
109.10158	3.0
110.58782	0.7
111.04523	1.0
114.98569	0.8
117.07021	2.4
119.08583	14.5
121.06505	2.6
121.10139	18.0
122.27490	0.9
123.04453	0.9
123.08077	2.4
125.06007	1.0
127.03917	5.4
128.06238	1.0
129.07065	0.9
130.05678	0.8
130.06567	1.3
130.07851	1.0
131.08566	1.7
133.06479	0.8
133.10133	1.9
135.08110	1.5
135.11676	1.5
137.06000	1.9
137.09596	3.1
139.07602	1.4
139.11249	1.9
143.08623	1.7
145.04988	1.8
145.10130	6.2
146.06015	1.0
147.08066	3.6
159.11786	2.7
161.09633	2.0
163.11180	16.3
165.09213	1.2
167.07045	8.7
177.12773	0.9
179.10675	6.8
181.12189	1.3
187.11256	1.3
188.07014	1.0
193.12321	1.2
201.05531	1.1
205.12234	100.0
206.08218	3.3
206.12653	2.9
207.13734	5.8
223.13286	68.3
224.13672	1.5
231.10287	1.1
301.82202	0.8
311.79361	0.8
341.61246	0.8
343.11880	0.8
385.18643	33.3
386.18915	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1282
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
53.03943	0.9
55.01858	2.7
55.05505	2.4
57.03421	0.9
65.03920	1.8
67.05520	4.5
69.03429	1.1
69.07056	1.5
69.52049	7.4
74.89073	0.7
79.05488	4.7
81.03410	1.1
81.07054	5.6
83.04964	1.0
83.08627	1.1
85.02886	0.9
85.68365	0.8
87.10673	0.8
90.03312	0.8
91.05480	4.9
93.07040	3.7
95.04951	3.9
95.08590	3.0
97.10143	1.0
103.05463	0.9
105.07024	2.5
107.04929	2.7
107.08567	3.2
109.06528	1.4
109.10133	2.0
110.03665	2.5
111.04429	2.4
115.05436	1.8
117.07000	2.2
119.04946	1.3
119.08563	3.1
121.02830	1.0
121.06523	1.2
121.10158	0.9
123.04427	0.8
123.08159	0.9
125.05949	1.7
129.07039	1.5
131.04921	1.3
131.08566	1.0
133.01764	0.8
133.06500	1.9
135.08051	1.4
137.02116	0.8
137.05983	1.5
141.06993	1.5
142.07715	0.8
143.04947	1.2
145.06483	2.7
145.10081	1.0
146.74860	0.9
147.08038	1.4
147.11734	1.0
151.03940	1.1
153.05452	4.6
153.06950	1.6
155.08603	1.4
157.06479	1.2
157.10193	1.3
159.08052	1.6
159.11699	1.1
161.05908	1.7
165.06998	5.8
165.09082	1.0
166.07793	1.3
167.07047	3.0
167.08577	2.6
168.05873	0.9
169.06439	1.4
173.05997	1.0
175.07468	1.1
177.05470	1.3
177.06955	1.2
178.07753	3.5
179.08545	3.4
181.05026	2.0
181.06497	3.1
182.07133	1.1
183.06419	1.0
183.08057	1.3
185.05954	1.3
187.07549	1.1
189.07040	1.5
190.07761	2.2
191.08556	2.8
193.04826	0.9
193.06471	2.0
193.12265	2.7
194.07234	2.3
195.08035	3.3
196.05209	1.0
196.08847	1.1
197.05937	1.0
197.09529	1.3
199.07462	1.5
201.05476	1.2
202.07814	1.4
203.08577	1.9
205.06512	3.6
206.07257	3.6
207.08092	4.7
208.08763	2.0
209.05902	1.4
209.09634	1.9
210.06714	1.1
211.07558	3.5
213.05406	1.0
217.08504	1.2
218.07239	4.4
219.08054	5.6
220.05197	1.8
220.08792	2.3
221.06029	4.3
221.09593	2.6
222.06764	3.1
223.07523	3.7
223.11076	1.0
224.08211	2.3
225.09047	2.4
227.06956	1.0
231.06239	1.2
232.08855	1.0
233.06030	1.6
233.09595	1.6
234.06706	3.3
235.07507	8.7
236.08247	2.8
237.05539	1.2
237.09105	5.6
238.06168	1.9
239.07063	2.7
239.10646	1.6
240.07726	1.2
241.08694	1.4
245.05656	0.9
246.06610	1.7
247.07484	3.8
248.08342	2.6
249.05443	2.3
249.09116	6.1
250.06223	2.4
250.09883	2.4
251.06937	5.8
251.10707	1.8
252.07782	4.2
253.08611	5.9
254.09361	2.2
259.07544	1.4
261.09088	1.8
262.06305	1.1
263.07047	4.5
263.10593	1.3
264.07748	4.8
265.08618	9.7
266.05768	1.0
266.09360	2.4
267.06726	2.2
267.10172	5.2
269.08087	1.2
271.09534	1.0
274.06168	1.2
275.06952	1.8
277.08588	3.0
278.05978	0.9
278.09406	2.3
279.06485	2.8
279.10129	6.5
280.07407	1.2
281.08084	4.2
282.08807	3.2
283.09717	1.6
291.06479	1.4
291.10031	1.3
292.07297	2.4
293.07999	3.4
294.08783	2.6
295.09576	7.8
296.10202	1.4
297.11337	2.5
299.09277	0.9
306.08875	1.2
307.09671	31.2
308.10089	2.3
309.07928	1.4
309.11084	5.8
310.08508	1.4
310.11951	10.8
311.09082	1.8
311.12762	1.2
313.10785	1.5
321.11118	1.4
323.09210	6.8
324.09744	1.1
325.10715	6.7
327.12161	1.6
337.10779	2.1
339.12155	4.0
352.09128	1.0
353.10095	1.5
353.14133	1.1
354.14664	8.1
355.11749	2.3
357.13303	3.8
367.11923	1.4
367.22650	2.5
385.12759	100.0
385.23676	10.3
385.29190	53.8
386.13229	5.3
405.13947	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53479	1.8
56.96564	71.0
62.07016	1.8
67.05483	4.1
69.38330	16.9
71.36574	2.1
71.95244	8.1
74.97596	3.3
75.27935	1.9
81.07049	2.5
92.98634	7.8
100.07597	2.3
102.85551	2.0
107.08589	2.8
109.10139	3.1
110.99675	2.3
116.00185	2.0
118.16758	1.7
119.36287	1.8
121.29906	1.9
123.01167	3.1
139.00693	2.6
141.02226	5.0
153.02222	3.0
157.01718	5.8
171.03308	4.4
175.02800	2.9
177.02318	3.5
177.40413	2.0
189.04402	3.2
195.03279	37.5
195.06909	2.4
213.04338	100.0
215.06064	2.2
218.04877	7.2
229.07365	2.8
231.05428	22.3
236.05937	15.2
239.09634	2.2
241.07463	8.3
255.83878	2.1
257.10632	2.1
259.08481	13.1
269.03571	2.1
294.39920	1.9
361.13242	14.0
379.14267	9.6
383.30524	2.2
384.14972	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	385.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70644	11.4
56.96564	20.0
60.43978	11.6
69.03407	17.8
71.30228	21.9
72.51385	12.4
75.05476	13.7
81.98218	11.7
85.02905	31.9
98.97568	46.6
109.02847	14.0
116.98637	30.7
127.03854	15.4
152.12752	12.6
153.01846	35.2
219.01776	14.7
237.02814	14.8
337.52502	13.4
385.08932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61942	0.4
55.05495	0.6
59.02896	0.4
60.14027	0.4
67.05495	2.4
68.19379	0.4
69.03416	0.4
69.07043	1.1
71.04965	0.5
71.25284	1.0
79.05450	0.7
81.03385	0.4
81.07040	1.8
83.08643	0.5
91.05469	0.6
93.07040	1.1
95.04960	0.6
95.08598	1.7
99.04427	0.4
100.07617	0.4
103.05476	0.4
103.79478	0.4
105.07047	1.1
106.76271	0.4
107.08575	1.2
109.10129	1.6
109.32041	0.4
113.51577	0.4
117.65538	0.4
119.08561	1.1
121.06500	0.5
121.10143	0.6
123.08121	0.4
131.08560	0.7
133.10110	0.5
135.11685	0.4
145.10106	0.8
147.11736	0.9
149.09566	0.4
159.11694	0.4
161.06018	0.6
162.41527	0.4
165.07014	0.9
165.09145	0.4
166.07387	0.4
193.06552	0.7
211.07478	0.7
211.29599	0.4
221.05969	0.9
232.45540	0.4
233.05931	0.6
239.07063	0.7
247.07420	0.8
248.08278	0.7
249.05379	0.5
251.07016	0.6
263.10800	0.7
276.08035	0.6
277.05121	0.7
291.09973	0.8
295.06006	1.5
307.06046	0.5
307.09680	0.6
319.09891	0.5
323.05469	2.8
323.12350	0.5
335.24741	0.7
337.10840	0.8
351.05072	1.9
351.12259	1.2
353.10126	0.7
355.08041	0.7
368.12518	0.7
383.07510	0.9
383.15024	3.2
383.27667	100.0
384.15634	0.4
384.27579	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	384.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
69.03394	0.6
70.06561	0.4
70.56155	0.9
76.04000	0.4
79.05479	0.7
81.03401	0.7
84.04509	1.5
85.02872	1.0
85.03996	0.4
91.05470	0.5
95.05032	0.4
97.01075	0.4
97.02885	0.5
99.02676	0.4
99.05551	1.0
102.05534	3.7
109.02855	0.8
110.07197	0.3
118.06538	0.6
121.06509	0.4
131.07288	0.4
132.08054	1.1
134.09689	0.3
136.02138	0.5
140.05273	0.3
146.66583	0.3
149.02991	0.5
156.04787	1.5
161.06018	0.4
162.05515	0.6
162.09129	1.7
164.05284	6.0
165.05984	0.6
166.06746	0.4
167.07072	0.4
176.07156	0.4
177.03276	0.8
177.07837	2.4
180.04796	0.4
182.02711	0.5
182.06346	1.3
185.08363	0.4
192.04829	0.6
193.05571	1.3
194.06334	1.0
204.10245	0.6
207.08981	0.8
208.09709	4.2
210.05833	8.0
213.07837	0.3
218.06424	1.5
222.11227	0.6
223.13249	0.4
238.05318	100.0
239.05592	2.6
240.06912	9.7
263.08398	2.1
264.06870	0.8
281.09470	3.5
289.03363	0.9
292.06357	1.1
315.05157	0.4
317.53580	0.3
320.10477	0.4
325.53903	0.3
366.11166	7.6
367.09497	5.9
384.12097	1.8
384.16339	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.7
55.05507	13.9
56.96559	4.9
57.07067	14.6
59.04996	7.8
61.02918	8.5
62.77509	4.1
63.89061	4.2
65.03932	5.7
65.44408	4.6
67.05499	56.8
69.03426	17.4
69.07066	12.5
70.18925	8.8
70.19320	13.7
71.05010	7.9
79.05482	31.6
81.03388	5.1
81.07053	54.0
83.04982	4.4
83.08575	5.6
84.08109	5.7
85.06557	9.2
91.05470	36.2
93.07040	100.0
95.04952	27.4
95.08598	51.7
97.06541	18.0
98.21434	6.1
100.07626	10.7
105.07029	86.9
107.08580	51.7
109.06504	25.5
109.10152	36.8
111.08096	12.0
117.07014	11.7
119.08568	62.6
121.06522	12.3
121.10152	48.9
123.08051	26.1
123.11686	5.4
128.06206	11.6
129.06996	14.1
131.08553	31.3
133.06462	8.6
133.10121	33.2
135.08069	24.4
135.11678	6.4
137.05965	5.9
137.09599	15.0
142.07780	20.7
143.08580	22.3
145.10109	33.5
147.08031	26.4
147.11700	18.2
149.09613	27.4
151.07530	39.5
156.09416	8.7
157.10135	38.7
159.08057	9.0
159.11699	19.6
160.08870	6.1
161.09615	20.4
161.13255	12.8
163.11252	11.9
163.14786	6.7
165.09100	42.3
166.21579	4.4
168.09389	5.3
170.10947	6.4
171.11664	9.5
173.09642	7.3
173.11835	5.7
173.13290	15.9
175.11218	20.3
175.14864	7.4
177.09146	11.2
183.11670	8.5
185.13261	15.7
187.11118	8.5
189.12737	18.8
197.13348	5.1
198.23376	4.7
201.12766	9.7
203.14214	28.7
207.13737	9.8
213.12759	6.0
215.14368	5.5
219.13803	5.7
221.15372	72.7
232.93903	4.7
233.15285	5.3
234.16162	17.3
243.10973	5.6
286.18961	5.5
287.19965	9.3
365.24585	7.2
383.25525	47.7
383.29852	6.9
383.37296	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	383.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.4
53.28650	3.5
55.01859	5.2
55.05511	19.2
55.39694	3.4
57.07062	12.0
59.04981	5.7
64.33103	3.8
67.05502	51.4
69.03428	24.3
69.07049	11.5
71.04984	6.8
71.18673	8.6
71.19039	5.3
75.93351	3.7
79.05496	31.0
81.07059	46.6
83.04955	6.1
85.06552	6.1
91.05479	45.2
93.07042	100.0
95.04950	26.2
95.08598	45.4
97.06512	10.5
105.07030	71.3
107.08591	44.0
109.06511	27.4
109.10156	42.4
111.08060	11.2
112.70865	4.4
117.07015	8.7
118.40823	4.6
119.08572	58.0
121.06489	14.2
121.10136	43.1
123.08051	32.1
128.06239	6.0
129.06978	12.3
130.07761	5.7
131.08549	28.6
133.06450	9.6
133.10112	38.3
135.08058	28.1
135.11670	5.3
137.09599	13.8
140.96758	4.0
141.06969	5.5
142.07782	20.8
143.08549	24.3
144.09462	4.2
145.06517	4.4
145.10085	40.1
147.08038	30.9
147.11652	17.6
148.08710	5.0
149.09596	27.4
151.07538	44.3
155.08537	10.6
156.09352	12.1
157.10144	40.2
159.07977	8.6
159.11641	16.5
161.09595	20.0
161.13261	9.9
163.11249	6.6
165.09096	48.7
169.10115	8.1
170.10933	9.6
171.11679	11.0
173.09605	10.2
173.11801	8.7
173.13193	9.3
175.11179	23.9
175.14757	9.9
177.09099	11.8
183.11699	6.5
185.09679	6.3
185.13295	22.6
187.11124	4.3
189.12726	11.1
195.11627	4.5
201.12761	8.2
203.14302	27.8
207.11627	5.2
207.13809	9.8
209.13261	4.7
209.15262	5.3
215.14365	6.6
221.13268	2.8
221.15366	72.9
227.14279	4.0
229.12389	4.1
233.15327	6.3
234.16133	7.9
286.19165	4.9
287.20001	8.2
299.19968	5.4
303.19427	11.6
315.90509	4.1
321.52402	4.0
353.06589	4.1
365.24609	10.6
371.70523	4.4
377.69543	4.6
383.20520	6.1
383.25583	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2577
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03946	4.9
55.01875	4.9
55.05507	16.8
56.96550	4.6
57.07076	12.5
59.05006	6.5
65.42284	2.2
67.05502	42.1
67.46056	2.0
68.86282	2.1
69.03434	14.1
69.07064	8.5
71.04986	6.4
72.87733	2.5
79.05490	27.4
81.07048	39.8
83.04970	6.5
83.08627	6.7
84.08150	4.5
85.06546	6.8
91.05471	50.9
91.06012	4.2
93.07038	100.0
95.04964	27.4
95.08604	47.9
97.06522	9.5
98.09687	3.1
100.07610	2.6
103.05463	2.4
105.07028	72.4
107.08588	44.6
109.06518	24.0
109.10149	29.9
111.08086	9.4
115.05486	3.3
116.06261	2.9
117.07035	12.8
119.08580	58.4
121.06497	15.4
121.10133	46.1
123.08052	32.3
124.88419	2.7
128.06212	12.2
129.06976	13.1
130.07790	5.4
131.08566	26.9
131.88031	2.8
133.06491	5.9
133.10124	28.9
135.08057	22.1
135.11659	6.3
137.05963	4.0
137.09621	14.5
141.06995	6.6
142.07779	19.1
143.08556	17.5
144.09399	3.8
145.06505	5.3
145.10117	33.7
147.08051	26.4
147.11667	18.4
148.08791	3.7
149.09607	27.7
151.07529	39.0
153.09096	3.2
155.08569	6.9
156.09338	7.3
157.05757	2.5
157.10136	35.2
159.08099	8.1
159.11697	15.8
161.09602	20.0
161.13281	7.0
163.11176	7.0
165.09122	47.9
169.10117	8.4
170.10948	4.4
171.11673	5.4
173.09628	8.6
173.11845	2.8
173.13264	9.9
174.10359	3.7
175.11157	17.8
175.14857	9.9
177.09123	11.0
178.09859	2.8
179.08597	2.8
182.10983	2.4
183.11650	4.4
185.13268	18.5
187.11250	4.6
189.12764	6.3
195.11723	4.6
197.13315	6.7
199.11206	5.3
201.12811	9.5
203.14339	29.9
207.11789	5.3
207.13814	10.7
209.15292	4.1
211.11099	3.1
213.12694	6.1
213.16193	2.9
215.14360	6.4
216.14807	2.5
217.12125	3.2
219.11832	2.9
219.13811	5.2
221.13512	2.6
221.15346	74.7
225.12701	4.8
227.14235	4.7
229.97389	2.8
231.13907	2.4
233.15366	4.2
234.16182	14.7
243.13768	2.8
254.42622	2.6
263.17740	2.4
269.12366	3.1
281.18927	2.9
286.19318	5.1
287.20056	4.9
299.19894	4.8
303.19601	9.2
347.23865	4.4
365.24692	8.1
383.25702	47.4
383.29733	5.3
383.37201	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	383.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.6
55.00311	3.6
55.01869	15.7
55.05510	50.9
56.98737	3.8
57.03436	21.8
59.05003	3.4
65.03937	4.7
67.05503	83.4
69.03442	12.6
69.07076	27.4
71.04999	11.1
71.58012	6.2
79.05490	55.2
81.03428	26.8
81.07056	100.0
83.04977	21.4
83.08613	25.5
84.08138	7.0
85.02908	11.9
91.05463	35.7
93.07047	41.6
95.04971	23.5
95.08607	43.7
97.06538	11.9
97.10185	40.0
99.04455	6.4
99.08113	6.2
105.07032	30.3
107.04961	12.3
107.08587	32.7
109.06516	13.7
109.10145	46.2
111.04449	26.0
111.05097	4.0
111.08085	13.8
117.07006	12.5
119.08585	29.9
121.06530	10.8
121.10163	14.2
123.08054	45.8
125.09639	41.6
127.03873	3.6
129.07022	8.7
131.08553	12.1
133.06496	5.2
133.10143	14.3
135.08066	11.5
135.11694	13.0
137.05977	6.7
137.09622	13.4
142.07755	4.6
143.08618	7.0
145.10178	22.2
147.08041	10.8
147.11696	12.6
149.09628	10.7
153.09082	4.7
153.12756	11.6
159.08034	6.5
159.11688	5.0
161.09641	7.5
163.11180	31.9
165.09128	23.3
173.09615	6.0
173.11754	11.2
173.13153	4.8
175.11246	5.8
175.87653	4.7
178.07979	5.3
178.68687	4.9
179.10664	4.3
181.12222	12.9
185.13286	5.9
189.11206	34.4
191.10669	14.2
193.12152	9.3
219.08052	5.9
223.13376	7.0
227.12793	12.6
229.08780	5.8
231.08347	4.3
247.07573	5.1
248.08368	7.5
263.10666	5.3
273.18497	27.2
283.15546	4.6
284.22668	4.3
291.10287	9.2
291.19547	61.8
323.12802	5.7
351.12411	6.5
352.12915	5.5
365.23230	12.4
383.10889	5.8
383.15222	31.1
383.24222	14.5
383.28629	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	383.2427
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
55.01864	11.1
55.05501	13.1
59.05005	5.5
65.03922	4.5
67.05501	62.0
69.07059	10.1
69.90903	13.3
69.91315	5.2
70.06582	3.8
71.04961	5.3
79.05488	24.2
81.07050	51.1
83.04965	8.2
83.08610	10.4
84.08133	18.9
85.02895	6.4
85.06503	4.3
91.05455	19.0
93.07038	17.5
95.04959	8.6
95.08607	17.5
97.06554	3.6
97.10156	4.2
98.09679	12.3
98.21385	6.9
99.04488	3.3
100.07613	25.2
105.03376	3.6
105.07011	18.1
107.04926	7.2
107.08592	9.4
109.06522	18.3
109.10151	46.3
111.04419	9.6
111.08097	4.8
111.67975	2.9
112.11227	8.0
115.05432	4.1
117.06997	9.6
119.08582	25.6
121.06470	7.3
121.10143	4.5
123.08116	5.4
125.09634	5.5
129.06964	4.4
129.13861	5.9
131.08577	8.0
133.06508	4.2
133.10146	7.4
135.08054	4.1
135.11684	5.1
137.09604	6.2
138.41264	3.1
141.07002	4.2
143.08504	5.3
145.10104	9.8
147.04373	5.7
147.08047	8.2
147.11678	5.5
152.06172	7.1
155.10722	4.7
159.11726	3.5
161.05882	4.1
161.09740	4.8
163.11125	6.3
165.06978	22.7
165.09146	3.3
167.08571	6.1
169.13394	9.3
170.19034	5.6
171.14839	5.8
173.11748	11.9
175.14818	3.9
177.07062	4.0
183.08015	8.2
191.07141	4.2
193.06479	16.1
195.08043	14.2
205.06436	10.5
211.07536	16.0
221.05977	29.4
222.06580	4.4
223.07527	5.3
225.05489	4.4
233.05992	9.5
235.07494	6.1
239.07002	23.6
239.98135	4.3
249.05591	19.2
251.07057	17.1
251.38626	3.5
253.04890	8.2
263.01923	7.2
267.06494	35.5
268.06976	6.8
273.18475	20.0
277.04938	12.7
278.05600	5.0
279.03500	4.2
279.06625	11.5
281.04422	7.7
283.06082	6.2
291.19531	36.5
295.05984	73.0
296.06479	15.2
297.04156	4.0
305.04391	12.9
307.05887	18.1
308.03210	7.4
309.03763	5.5
323.05518	100.0
324.06113	17.7
339.08646	12.3
351.04962	67.1
351.08945	5.3
352.05316	6.9
355.08151	26.2
365.14142	4.5
369.06223	5.6
383.07434	35.0
383.15158	7.4
383.24500	8.3
383.37466	29.2
384.07840	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	383.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.6
55.00311	3.6
55.01869	15.7
55.05510	50.9
56.98737	3.8
57.03436	21.8
59.05003	3.4
65.03937	4.7
67.05503	83.4
69.03442	12.6
69.07076	27.4
71.04999	11.1
71.58012	6.2
79.05490	55.2
81.03428	26.8
81.07056	100.0
83.04977	21.4
83.08613	25.5
84.08138	7.0
85.02908	11.9
91.05463	35.7
93.07047	41.6
95.04971	23.5
95.08607	43.7
97.06538	11.9
97.10185	40.0
99.04455	6.4
99.08113	6.2
105.07032	30.3
107.04961	12.3
107.08587	32.7
109.06516	13.7
109.10145	46.2
111.04449	26.0
111.05097	4.0
111.08085	13.8
117.07006	12.5
119.08585	29.9
121.06530	10.8
121.10163	14.2
123.08054	45.8
125.09639	41.6
127.03873	3.6
129.07022	8.7
131.08553	12.1
133.06496	5.2
133.10143	14.3
135.08066	11.5
135.11694	13.0
137.05977	6.7
137.09622	13.4
142.07755	4.6
143.08618	7.0
145.10178	22.2
147.08041	10.8
147.11696	12.6
149.09628	10.7
153.09082	4.7
153.12756	11.6
159.08034	6.5
159.11688	5.0
161.09641	7.5
163.11180	31.9
165.09128	23.3
173.09615	6.0
173.11754	11.2
173.13153	4.8
175.11246	5.8
175.87653	4.7
178.07979	5.3
178.68687	4.9
179.10664	4.3
181.12222	12.9
185.13286	5.9
189.11206	34.4
191.10669	14.2
193.12152	9.3
219.08052	5.9
223.13376	7.0
227.12793	12.6
229.08780	5.8
231.08347	4.3
247.07573	5.1
248.08368	7.5
263.10666	5.3
273.18497	27.2
283.15546	4.6
284.22668	4.3
291.10287	9.2
291.19547	61.8
323.12802	5.7
351.12411	6.5
352.12915	5.5
365.23230	12.4
383.10889	5.8
383.15222	31.1
383.24222	14.5
383.28629	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	383.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	8.8
57.03415	2.7
57.07074	1.9
59.04996	4.0
65.03937	1.7
67.05504	100.0
68.05840	1.0
69.03428	0.9
69.07055	3.5
70.24263	1.7
70.24671	2.7
71.04979	3.6
79.05483	5.0
81.07058	19.1
83.08605	7.4
84.08118	1.1
85.06517	2.6
87.94299	0.9
91.05473	8.5
93.07034	7.1
95.04941	1.9
95.08600	8.5
97.06566	1.0
97.10180	0.9
98.20798	1.2
100.07584	1.1
105.07028	3.8
107.08572	5.4
109.06519	1.1
109.10154	79.8
111.08085	3.1
117.07005	1.0
119.08588	11.1
121.10142	3.7
123.11654	1.7
131.08572	1.9
133.10106	3.7
135.11665	2.0
137.09624	5.4
145.10136	2.4
147.11681	1.7
149.13293	1.5
155.10724	4.8
157.10136	1.5
159.11691	1.7
161.13261	1.2
163.11232	1.2
163.14798	1.1
169.10069	1.1
173.11760	24.2
173.13257	2.1
187.14911	1.5
195.11656	0.9
197.13275	0.9
199.14748	0.9
201.16393	1.5
348.19687	0.9
349.16995	1.2
363.36932	1.0
365.24600	1.3
383.24380	23.4
383.29272	2.3
383.37457	2.0
384.24637	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69636	9.2
55.05510	70.6
55.50100	10.4
56.99941	9.2
61.02912	8.3
62.28893	8.7
67.05488	32.6
69.03423	66.8
69.07063	25.4
69.57130	63.8
72.15469	9.2
79.05480	38.5
81.03397	19.5
81.07050	49.2
83.04983	30.5
83.08620	15.4
84.70026	9.3
85.02898	62.0
85.06531	11.9
87.04462	14.7
91.05479	43.3
93.07034	58.1
95.04956	29.0
95.08587	30.0
97.02863	28.5
97.06504	10.5
100.07603	13.6
100.11224	33.3
105.07009	50.7
107.04953	12.8
107.08596	35.9
109.02848	18.0
109.06535	19.7
109.10162	21.7
111.04485	11.4
117.07043	11.2
119.08578	74.0
121.02846	29.2
121.06492	17.0
121.10132	44.0
122.71214	9.5
123.08009	13.4
127.03907	15.1
129.07002	13.2
131.08504	17.3
131.92494	9.1
133.10112	65.0
134.06009	35.9
135.11734	8.8
136.33730	9.5
137.06039	13.2
144.86685	9.2
145.10129	25.8
147.08003	57.7
147.11693	13.1
151.07578	13.4
151.11121	10.2
153.01895	12.7
159.11758	10.5
161.05959	11.5
161.09615	26.7
161.13277	100.0
165.09114	24.9
174.09164	22.6
175.09492	41.7
175.11221	11.1
175.14799	32.2
179.14397	14.9
182.30997	9.4
185.13277	21.3
202.08708	12.2
203.14340	79.4
210.14859	14.1
211.11278	11.2
215.40346	11.4
217.05005	14.5
221.15363	64.7
223.79948	10.5
234.80762	9.3
247.07640	13.7
291.10257	16.3
323.12628	12.8
337.10852	14.1
351.08484	21.4
351.12360	16.0
352.13101	10.4
383.10709	15.5
383.14877	44.4
383.20731	11.1
383.37357	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	383.2425
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
53.03952	1.0
55.01859	2.8
55.05510	11.9
57.03419	2.4
59.05005	5.1
65.03941	2.5
67.05505	100.0
68.05824	1.5
69.03426	1.0
69.07072	4.5
70.94558	0.9
71.04984	3.3
71.58245	1.6
78.67037	1.0
79.05481	7.4
81.03419	2.4
81.07056	20.2
83.04993	2.3
83.08614	8.5
84.08141	1.2
85.06529	3.2
91.05477	13.8
93.07032	10.2
95.04959	4.2
95.08604	10.3
97.06522	1.1
97.10149	1.0
101.84845	0.9
105.07043	7.2
107.04936	2.3
107.08585	7.8
109.02865	0.9
109.06516	2.5
109.10157	82.4
110.10522	1.4
111.08092	4.6
115.05406	1.1
117.07018	3.5
119.08577	10.5
121.06499	2.5
121.10139	4.0
123.08051	1.3
125.09605	1.3
128.06201	1.1
129.07011	3.0
130.07765	0.9
130.88670	0.9
131.04961	1.6
131.08539	4.6
133.06487	1.9
133.10095	2.9
135.11713	2.9
137.09633	4.2
141.06995	1.8
143.08620	2.3
145.06458	2.4
145.10132	3.7
147.08044	1.0
147.11664	2.0
155.08578	2.9
155.10645	4.2
157.06459	1.5
157.10127	2.3
159.08052	1.6
159.11749	2.5
161.06055	2.0
161.09637	1.4
161.13200	1.6
165.09180	1.2
167.08644	1.4
169.10092	2.0
171.08026	1.2
171.11668	1.4
173.05988	1.7
173.09607	3.0
173.11754	26.1
173.13161	1.3
175.11215	2.0
175.14815	1.0
183.11658	1.3
185.09650	1.5
185.13220	1.2
187.07504	1.3
187.14755	1.2
189.09114	1.4
189.12631	1.3
193.12273	1.0
197.09816	1.1
199.14780	1.2
201.12749	1.3
202.07854	0.9
205.09988	1.0
211.11223	1.5
211.14833	1.1
213.12651	1.0
219.10042	1.2
223.34753	0.9
248.08299	1.4
253.12225	1.3
263.10611	1.4
271.13275	3.9
291.10062	2.2
292.07300	1.4
323.12885	1.0
337.21616	1.9
351.12244	2.2
355.22723	1.5
365.21005	6.2
365.24921	1.3
368.12628	1.2
383.15192	7.2
383.24091	17.3
383.29681	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69381	3.3
53.03950	3.4
54.87183	3.2
55.01863	6.0
55.05511	22.5
55.54108	3.3
57.03434	4.6
61.02922	4.5
66.93005	3.3
67.05501	14.0
69.03423	23.1
69.07059	9.9
70.60155	5.9
70.60552	7.2
77.46079	3.3
79.05495	9.3
81.03432	5.3
81.07060	19.0
83.04984	12.3
83.08608	3.9
85.02917	24.9
91.05481	19.1
93.07041	20.0
93.40259	3.2
95.04970	10.8
95.08610	10.5
97.02890	10.0
99.04465	5.8
100.11244	3.0
103.05471	4.0
105.07043	23.0
107.04946	5.8
107.08629	10.0
109.02864	4.5
109.06547	16.4
109.10131	5.8
117.07032	6.6
119.08588	45.6
121.10166	15.7
123.08116	4.9
127.03948	6.4
131.08600	8.0
133.10127	38.0
137.05962	4.1
137.09624	9.2
145.05008	4.5
145.10164	9.0
147.08047	65.5
147.11714	8.4
151.11218	6.3
159.11691	4.7
161.09625	14.9
161.13261	49.3
165.09138	13.3
170.10938	4.3
173.13283	4.3
175.11218	3.8
175.14764	17.4
185.13245	7.2
188.11984	3.9
191.14337	10.6
201.04813	3.2
203.14311	32.3
221.15367	100.0
257.04514	4.3
336.09949	3.6
337.10583	3.7
357.91190	3.8
383.15256	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	383.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.9
54.95508	3.0
55.05510	28.4
57.03439	3.8
57.72558	2.8
61.02921	5.0
67.05481	8.3
69.03429	29.1
69.07067	10.2
69.53419	17.2
69.53828	7.0
71.04982	3.0
71.05780	3.1
71.86134	3.4
73.02879	3.4
79.05473	17.1
81.03405	10.2
81.07048	22.9
83.04975	13.7
83.08635	3.4
84.08126	6.3
85.02908	28.9
91.05454	29.1
91.41561	3.1
93.07018	13.9
95.04974	11.5
95.08588	10.4
97.02883	12.3
97.06557	5.6
98.09656	3.7
100.07621	7.6
100.11250	10.1
105.07025	22.2
107.04941	9.4
107.08572	14.3
109.02847	5.7
109.06498	17.0
109.10151	9.5
114.09122	4.5
117.07033	6.4
119.08569	55.2
121.10120	23.6
123.08025	7.6
127.03931	8.2
129.06987	5.1
131.08524	4.5
133.10124	44.1
135.08066	4.2
135.11676	4.8
137.02335	7.9
137.09579	9.6
143.08546	4.1
145.10081	8.1
147.08046	69.1
147.11618	7.7
151.11115	6.3
159.08205	3.5
159.11705	10.5
161.09605	14.0
161.13257	58.7
165.09120	20.1
173.13292	4.0
175.11275	5.2
175.14795	23.5
182.15358	4.1
182.57945	3.3
185.13268	8.8
188.12010	4.0
191.14297	9.0
203.14322	47.8
210.14944	4.7
221.15358	100.0
286.04553	4.0
287.05475	6.2
311.05475	45.6
312.05737	4.8
323.05576	5.6
323.12540	5.4
337.10635	3.7
339.08600	61.0
339.12213	5.2
340.09027	4.5
383.07596	3.5
383.11206	97.2
383.15695	10.7
383.37292	6.8
384.11490	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	381.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25460	6.1
69.61891	39.2
73.92113	6.2
219.02603	6.8
363.79727	6.8
381.07816	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53811	13.4
55.05509	27.5
56.96564	100.0
67.05502	57.9
69.07066	27.7
71.58152	20.8
79.05487	37.7
79.37469	15.7
81.07049	47.3
83.08611	17.0
84.08135	60.9
91.05479	35.7
93.07040	39.8
93.55624	14.5
95.04976	20.7
95.08594	38.4
97.06482	16.5
97.10124	19.0
98.09679	43.2
100.07617	92.0
105.07058	21.4
107.08572	19.1
109.06534	17.2
109.10163	16.6
112.11282	22.8
117.06971	17.6
119.08602	35.7
123.01181	24.5
123.38651	16.0
125.70931	13.7
129.13824	15.8
131.08519	19.3
133.10121	23.5
145.10121	27.0
146.85620	13.0
147.11707	16.6
157.87791	14.6
159.11581	22.4
169.13348	19.6
171.11723	15.1
171.14960	19.2
173.09651	18.2
193.01756	25.7
211.02744	29.4
239.09003	17.3
241.07410	19.1
259.08691	25.0
381.35922	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.2
54.70290	3.7
59.47298	4.0
60.51109	3.3
61.02917	5.9
67.12772	3.4
69.03422	17.4
70.63138	15.0
73.02921	5.4
74.02451	5.5
81.03413	15.7
85.02907	46.0
86.53244	3.8
87.42336	4.1
90.20742	4.4
91.03973	3.6
97.02879	18.9
98.20902	4.8
99.04446	4.8
103.03952	5.2
109.02897	5.7
117.05749	4.0
118.06527	16.8
127.03951	11.6
130.06520	100.0
132.04430	24.3
132.08087	14.5
142.06554	6.4
142.38603	3.8
143.07339	6.7
144.04478	6.3
144.06810	15.2
144.08095	40.0
145.05125	4.8
145.07585	39.2
146.05994	31.0
154.06508	7.7
156.06792	7.7
156.08093	11.3
157.07619	75.6
158.06013	66.3
158.08131	4.1
159.09181	18.6
160.07561	16.0
168.08109	5.4
169.07600	31.6
170.06073	9.6
170.08403	11.9
171.09189	17.1
172.07613	18.1
174.05478	5.0
175.08682	56.1
181.07613	11.0
182.08366	11.9
183.09190	35.0
184.07626	13.3
185.07115	39.5
187.08679	17.6
188.07034	8.7
195.09271	5.0
196.07581	5.6
197.07104	7.5
198.05516	6.0
199.08678	16.7
200.07104	16.3
203.08151	98.3
204.06624	4.4
204.08459	4.3
206.08342	9.5
207.09218	18.8
208.10114	5.1
209.07124	11.4
210.09105	6.2
211.08646	9.9
212.07056	4.0
213.06548	8.5
215.08109	13.5
216.08961	11.8
217.09694	25.7
218.10011	4.4
219.09163	7.7
221.09131	49.9
223.08672	7.0
227.08202	13.6
228.06674	6.0
231.07530	23.7
233.09209	5.9
237.10190	7.9
238.08618	7.5
245.09224	27.8
253.09816	5.5
257.09247	14.6
263.10266	16.8
269.09201	16.3
274.10779	9.1
275.10229	9.2
283.10767	5.1
285.12341	5.4
293.09097	5.4
299.10220	20.6
301.11700	7.0
311.10208	9.1
329.11234	24.6
347.12369	63.6
348.10760	8.6
365.13431	48.9
383.14276	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	379.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	13.9
55.05519	38.8
55.05725	6.3
67.05523	34.4
69.07050	25.1
69.34211	38.7
69.34640	35.4
78.42619	7.0
79.05489	66.2
81.07056	37.7
83.04982	11.9
83.08614	8.5
91.05476	53.0
93.07050	74.2
95.04967	17.4
95.08610	27.3
97.06523	8.6
101.06026	10.3
103.05462	7.1
105.07023	41.9
107.04950	100.0
107.08608	35.5
109.06474	9.5
109.10155	12.3
110.84300	7.7
111.04424	35.3
111.08073	11.1
112.88827	6.4
115.05445	8.3
117.07001	38.1
119.03313	8.2
119.08571	50.4
121.06493	25.3
121.10136	19.5
123.08061	7.4
125.02367	7.5
128.06239	11.2
129.05429	20.6
129.07031	54.5
131.07651	8.0
131.08551	42.1
133.06519	8.6
133.10112	52.3
133.76920	7.8
135.11722	15.0
139.07533	18.3
141.06940	8.8
143.08548	62.0
145.10110	29.6
147.11664	8.0
149.05992	11.5
149.09641	62.0
149.13182	7.3
153.01825	40.3
153.06952	9.2
155.08530	13.9
156.09334	7.8
157.06512	14.9
157.10152	70.5
159.08072	9.2
159.11705	25.6
161.09613	35.9
161.13170	7.8
162.03079	7.0
163.11089	8.5
165.06947	12.4
166.07628	10.6
167.08534	19.1
169.10114	21.8
171.08054	28.5
171.11705	45.9
173.09625	11.3
173.13339	8.8
175.11128	18.0
177.12714	17.4
181.10121	27.5
183.11713	21.9
185.09593	42.9
185.13257	39.1
187.11192	7.4
195.11600	12.3
197.13289	11.0
199.11177	29.4
199.13086	8.0
199.14810	43.3
201.12779	9.0
201.16357	8.6
201.53587	7.1
203.10658	40.5
209.13263	25.3
213.16399	26.1
223.14960	16.7
225.16399	14.9
227.10721	8.9
227.14299	47.7
241.15891	68.2
243.17415	22.3
245.15396	19.1
251.14308	15.7
259.16956	32.2
269.15326	80.3
287.16425	78.6
333.20508	19.6
343.19095	11.6
361.20187	59.6
379.21103	95.9
379.25916	21.0
379.30005	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	379.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	8.3
54.95426	7.6
55.05504	19.8
57.03424	8.9
57.07067	8.1
67.05498	20.9
69.07054	13.0
70.88197	16.6
79.05499	56.3
81.07049	30.7
83.04984	9.2
91.05467	39.5
93.07042	57.1
95.04977	9.6
95.08594	21.4
97.06518	8.2
101.67230	7.5
105.07009	26.3
107.04946	76.9
107.08589	22.2
111.04439	21.3
113.81086	8.4
117.07014	20.0
119.08583	42.0
121.06480	15.3
121.10146	20.4
128.06229	10.2
129.05472	16.0
129.07018	39.5
131.08575	33.3
133.10098	33.0
135.11717	9.3
137.05925	10.9
142.07863	11.5
143.08556	64.4
145.10121	23.6
147.08025	11.5
147.11691	11.1
149.09627	46.9
153.01764	10.2
155.08531	12.6
157.06430	8.2
157.10118	54.2
159.08025	16.5
159.11667	11.1
161.09601	27.6
167.08554	15.5
169.10097	13.6
171.08041	10.1
171.11691	23.4
173.09576	8.3
175.11166	19.0
177.12886	8.9
179.56873	6.9
181.10146	15.6
185.08189	8.3
185.09674	30.0
185.13216	21.2
187.11101	8.1
197.13240	11.5
199.11107	19.5
199.14851	35.2
202.41588	7.9
203.10733	35.4
209.13248	13.7
213.16409	19.8
223.14923	18.8
227.14253	40.8
241.15862	59.3
243.17389	17.6
245.15407	28.9
251.14439	13.9
259.16907	29.8
269.15411	68.3
287.16415	51.7
333.20566	17.6
361.20081	54.7
379.21057	100.0
379.25415	11.7
379.30118	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
68.00043	25.9
69.03434	49.9
71.57510	45.7
79.05499	41.1
81.03387	32.5
85.02903	86.7
91.05485	68.0
93.07047	100.0
105.06992	33.1
107.08592	37.5
111.07993	31.2
119.08656	28.2
121.06403	31.6
127.03881	28.0
137.05940	45.3
139.07523	71.0
146.57478	31.7
179.79440	30.9
196.75827	28.6
204.52554	28.6
211.04028	30.9
258.85895	27.5
358.04993	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
68.00043	25.9
69.03434	49.9
71.57510	45.7
79.05499	41.1
81.03387	32.5
85.02903	86.7
91.05485	68.0
93.07047	100.0
105.06992	33.1
107.08592	37.5
111.07993	31.2
119.08656	28.2
121.06403	31.6
127.03881	28.0
137.05940	45.3
139.07523	71.0
146.57478	31.7
179.79440	30.9
196.75827	28.6
204.52554	28.6
211.04028	30.9
258.85895	27.5
358.04993	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2376
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03936	5.8
55.01868	6.4
55.05511	18.4
56.73686	1.4
57.03441	10.2
57.07066	6.6
59.04993	4.1
61.02930	12.4
67.05491	7.9
69.03430	34.7
69.07066	37.2
70.88946	4.0
71.04998	9.6
73.02901	6.4
79.05494	5.1
80.27370	1.8
81.03419	13.9
81.07058	26.3
83.04982	8.7
83.08622	8.6
85.02904	77.9
85.06544	22.0
87.04469	7.0
91.03940	4.6
91.05513	3.5
93.07050	13.6
95.04943	1.8
95.08607	42.3
97.02895	26.1
97.06541	6.2
97.10155	9.5
99.04457	4.2
99.08102	20.8
101.02380	1.7
105.07034	3.1
107.08595	27.3
109.02878	10.7
109.06462	1.8
109.10156	13.9
111.08067	4.2
111.11693	5.6
113.09612	8.3
121.10149	37.7
121.11033	2.5
123.11697	12.4
125.09640	6.2
127.03918	15.5
135.11693	16.1
137.13258	20.2
139.11182	9.5
145.04962	14.1
149.13258	4.2
151.14793	4.9
153.12718	15.5
159.07765	1.9
164.57651	1.7
177.09059	2.7
177.16380	100.0
178.44713	1.6
194.66414	1.9
195.17439	39.5
213.18488	38.1
346.57300	2.0
375.23956	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48680	2.0
62.89351	2.1
69.03432	3.2
70.06608	2.7
71.26083	3.9
79.49095	2.0
89.03913	5.8
89.04464	2.1
90.25482	1.9
117.03366	4.4
127.03932	4.1
129.48219	2.2
135.04393	17.5
145.02826	14.5
163.03899	66.5
163.86742	2.1
165.99368	2.7
185.02098	31.9
197.04225	16.5
215.05235	60.8
221.02919	3.5
256.08072	2.6
297.06772	2.7
305.56689	2.2
325.74542	2.3
359.07242	15.9
377.08417	100.0
377.13876	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	377.1454
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
50.16686	1.2
52.86189	1.3
53.03932	2.7
57.03435	9.0
59.04985	1.6
60.58121	1.2
61.02913	4.7
66.88001	1.3
69.03422	17.4
71.01331	2.9
71.04990	4.7
71.11805	3.8
73.02913	2.6
75.04462	3.6
81.03410	6.1
81.07038	1.8
85.02901	2.2
85.06514	1.7
91.05452	2.4
95.08582	1.8
99.04433	4.6
111.30751	1.2
112.71761	1.4
116.63000	1.5
117.05474	2.3
130.06473	1.6
137.05992	2.3
143.56119	1.2
145.07584	3.7
159.09253	1.9
165.14262	1.4
170.07094	1.6
172.08690	35.9
172.10144	2.3
176.48099	1.3
190.09785	3.9
198.06552	6.9
200.08208	3.6
214.14445	1.3
216.07642	20.9
223.19566	1.7
235.35928	1.5
243.08759	91.0
279.06400	2.5
314.06296	1.4
359.13467	4.4
377.14548	100.0
378.14963	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	377.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28651	1.7
51.52619	1.7
54.53579	1.9
61.45123	1.9
64.38432	1.8
69.03429	3.8
71.04986	2.9
71.06870	5.2
79.80219	2.1
81.03402	2.0
81.07049	2.1
82.68465	2.1
83.04987	3.2
85.02917	2.2
91.05490	6.6
95.08585	2.0
97.02898	2.9
98.21217	2.3
103.05444	4.0
107.04947	3.1
119.04940	1.8
121.06512	3.1
127.03961	3.3
131.04950	6.3
133.02840	2.5
137.05992	13.5
141.06972	4.0
149.06058	5.8
151.07535	10.2
153.05484	4.7
153.07005	6.9
155.08585	3.8
163.07605	5.8
165.07034	12.8
167.07097	3.7
168.05756	5.8
177.08946	1.9
181.06499	7.9
182.07225	4.0
183.08043	15.9
184.05276	3.7
185.05896	4.3
196.05194	4.6
197.05925	4.1
198.06824	4.1
199.07539	8.3
201.22682	1.8
209.05936	6.1
210.06700	2.6
211.07529	14.9
212.04709	5.0
213.05452	5.6
213.09103	3.2
215.10736	3.3
215.74576	1.9
223.03886	7.4
225.09067	3.0
226.06320	4.8
227.07033	22.6
228.07872	2.4
237.05437	2.8
239.07030	5.8
241.08730	3.0
243.10188	9.0
255.06494	12.5
269.08218	3.9
271.09662	23.4
272.10205	3.3
288.09924	100.0
289.10291	2.1
301.10629	6.8
302.11499	49.6
303.12225	29.9
377.17807	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	375.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.0
54.49898	1.1
55.01860	2.4
55.05508	7.7
57.03422	2.0
67.05512	6.2
69.03405	4.6
69.07059	4.2
71.04986	4.2
71.58244	1.7
74.07233	1.1
79.05493	7.8
81.03417	3.3
81.07053	10.5
83.04988	2.2
83.08607	5.4
85.02895	9.1
85.06533	3.4
91.05457	5.7
93.07040	6.7
95.04955	2.4
95.08595	6.5
97.02892	2.9
97.06519	3.1
97.10126	1.9
98.06140	1.2
99.08063	4.1
103.05479	1.5
105.07036	13.1
107.04951	4.2
107.08590	6.1
108.05731	1.6
109.02882	1.8
109.06492	2.1
109.10145	5.0
113.09677	2.1
115.05449	3.3
117.07016	5.0
119.04919	2.3
119.08600	1.7
121.06516	3.2
121.10107	4.7
123.04416	2.3
123.08015	3.4
123.11691	2.2
125.09643	1.3
127.03916	2.3
130.86661	1.3
133.06491	10.3
135.04353	1.8
135.08080	1.5
135.11678	3.3
137.06024	2.7
143.08568	1.6
145.06482	1.6
149.09560	1.3
151.07533	12.2
152.04788	1.1
161.05995	8.7
162.06747	4.0
167.07033	18.2
171.08022	1.6
175.07512	5.1
177.09100	100.0
177.16371	13.5
178.09390	3.0
181.04974	2.2
193.08607	40.1
195.10114	8.4
195.17430	3.8
203.10703	2.0
213.18445	3.9
221.11700	3.2
253.08478	2.2
269.07974	1.6
301.44821	1.5
313.10626	7.0
327.12177	1.9
339.12234	1.7
357.13260	1.4
375.14206	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	375.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28909	0.7
66.56296	0.6
69.03412	1.0
76.06981	0.6
81.07034	1.0
85.02895	1.0
91.05475	1.0
97.02896	0.9
97.75469	0.6
106.62179	0.6
110.89645	0.7
118.85816	0.8
127.03902	3.4
137.05968	1.4
149.05920	0.7
153.05353	0.7
167.06996	1.3
185.04198	1.8
192.82449	0.7
213.07330	100.0
214.07668	1.7
216.81648	0.6
231.37384	0.6
323.29080	0.7
375.12506	16.1
375.16779	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35666	1.4
67.05524	2.3
70.09661	7.5
72.74252	1.8
79.05526	2.2
81.07090	1.8
93.07076	2.1
96.48772	1.5
98.20808	1.8
105.06995	1.7
107.08618	2.1
109.10155	2.1
112.43569	1.4
119.08585	3.3
141.51042	1.5
143.96182	1.4
154.14268	1.7
155.84760	1.5
235.09419	2.6
273.61783	1.7
301.14038	1.9
375.17807	100.0
376.18204	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	375.18
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62956	1.1
67.05510	1.5
71.09839	2.6
78.04714	1.3
79.05491	2.2
91.05466	3.7
93.07014	2.2
95.04968	1.5
99.68314	1.2
103.05467	1.7
105.07025	9.1
107.04935	1.2
108.05782	1.2
115.05433	3.2
116.43189	1.1
117.07031	3.8
119.04974	2.0
121.06463	2.0
123.08076	2.1
128.06204	1.1
133.06479	9.7
135.08081	1.6
137.05959	1.7
145.06462	1.8
151.07539	8.9
161.05957	6.7
162.06721	4.5
167.07013	14.5
172.25696	1.3
173.74721	1.3
175.07555	3.5
177.09103	100.0
178.09380	2.2
178.23268	1.2
193.08615	40.5
195.10181	8.0
203.10774	1.7
221.11687	4.5
251.28802	1.5
301.72247	1.2
390.00461	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39552	1.1
55.05506	2.0
57.16767	1.2
58.29044	1.3
66.04680	1.3
67.05495	3.2
67.24261	1.1
69.03419	1.6
69.07071	1.9
71.04965	1.8
71.58209	2.1
75.36444	1.1
79.05473	4.9
81.03397	1.8
81.07064	3.2
83.04960	1.6
83.08621	1.4
85.02917	2.3
88.27734	1.5
91.05485	4.8
93.07060	3.0
95.04963	1.9
95.08599	3.6
103.05455	3.1
105.07025	13.7
107.04938	2.2
107.08611	2.3
109.06483	2.4
111.04456	1.2
111.08084	1.3
115.05449	3.9
117.07010	3.9
119.04976	1.9
119.08554	1.8
121.06531	1.5
123.04403	1.8
123.08031	2.8
128.06255	1.6
131.04919	2.2
131.08575	2.1
131.68869	1.3
133.06493	13.6
133.10149	1.6
135.04456	1.6
135.08002	1.3
137.05962	2.1
140.93767	1.3
145.06500	2.3
151.07541	12.1
161.05931	8.4
162.06755	2.9
163.07513	2.1
167.07054	21.7
171.08032	1.9
175.07568	4.0
177.09097	100.0
178.09375	1.7
183.60670	1.3
185.06998	1.4
191.07007	3.1
193.08594	36.9
195.10159	4.8
203.10677	3.0
210.35634	1.5
211.70488	1.2
213.14708	1.6
221.11702	5.3
243.14955	1.6
289.02341	1.5
375.14490	3.3
375.19882	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04384	1.8
52.39845	2.1
54.66278	2.0
55.01863	2.9
55.05495	3.8
57.03442	3.3
61.02923	5.1
64.00288	1.9
67.05489	8.6
69.03431	12.5
69.07055	5.0
69.69444	15.5
70.06578	2.0
71.04986	7.8
73.02898	3.4
74.32614	1.9
77.03989	2.1
79.05492	12.0
81.03407	8.7
81.07059	10.1
83.08606	2.2
84.08142	5.5
85.02908	22.2
85.06528	4.3
87.04457	4.0
91.03910	2.6
91.05473	10.0
93.07021	7.7
94.06545	3.4
95.04949	2.6
95.08591	4.6
97.02885	4.8
97.06528	7.8
97.10196	2.5
98.20840	3.2
103.05449	2.2
105.07011	8.1
107.04957	9.4
107.07318	2.3
107.08571	2.7
108.05265	4.4
108.08095	5.5
109.10144	2.6
111.44200	1.8
117.06989	3.4
120.08112	4.6
123.04432	2.0
126.12783	6.2
127.03885	5.8
130.06557	1.9
131.08530	3.1
137.05966	5.6
147.29796	2.0
161.06020	2.4
163.07533	6.1
164.07878	7.5
167.07050	10.6
168.07611	4.7
168.13852	3.8
192.13754	2.2
194.15417	17.6
195.10022	3.3
196.16989	2.5
210.14978	2.5
212.10391	8.0
212.16451	100.0
255.66806	2.3
284.02835	2.0
374.14249	5.1
374.21658	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	374.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.8
55.05490	4.6
56.89878	2.2
57.03447	3.9
59.45998	2.1
61.02928	3.9
67.05503	8.0
69.03431	12.6
69.03724	2.0
69.07073	4.2
69.92321	14.0
70.06593	2.7
71.04987	8.1
71.42503	2.1
79.05477	10.0
81.03414	7.6
81.07059	12.9
83.08593	2.7
84.08127	5.5
84.58382	2.4
85.02898	22.6
87.04466	4.2
91.05466	7.4
93.07018	5.4
94.06551	3.7
95.04939	2.9
97.02888	10.5
97.06528	7.2
100.43440	2.3
103.05428	2.7
105.07004	7.0
107.04958	3.2
107.07338	3.7
107.08560	3.3
108.08098	6.0
109.02875	5.4
109.06464	3.3
120.08130	4.6
122.09666	4.0
126.12792	3.6
127.03913	5.7
131.04916	5.2
137.05988	8.9
138.09024	3.2
147.61888	2.4
163.07568	6.8
167.06967	3.5
190.93831	2.5
193.08589	3.6
194.15392	14.9
196.16983	3.2
212.16467	100.0
236.98872	2.8
252.10840	2.8
331.10330	2.3
342.14160	3.8
374.21872	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01866	1.1
55.05504	1.5
56.96561	6.0
57.03429	1.7
59.04987	0.8
61.02911	2.3
66.83608	0.8
69.03431	6.4
70.06592	1.4
70.53480	2.5
71.04979	1.7
73.02909	2.8
73.99606	0.7
75.04488	1.1
79.05511	0.9
81.03426	3.9
83.04997	1.8
84.04529	4.2
84.96003	0.7
85.02906	10.8
85.04819	1.3
86.65084	0.8
87.04465	1.4
91.03902	0.9
91.05452	0.8
97.02885	7.4
98.97570	9.6
99.04453	0.9
108.08115	2.7
109.02850	2.0
110.97564	1.0
111.04436	1.3
116.98617	6.2
119.01915	3.4
126.05508	3.2
127.03931	4.1
127.05878	2.1
128.98613	2.3
129.05417	0.8
130.08649	0.7
130.80603	0.8
131.00163	2.9
131.01903	1.4
133.03447	2.4
133.05177	1.0
134.06001	6.2
134.99635	3.3
136.07571	14.4
137.08371	1.4
138.05460	1.3
143.00154	1.4
145.03368	0.8
145.05009	1.8
145.06969	0.9
146.99644	2.9
148.07573	10.1
149.01241	2.1
149.02814	1.2
150.05510	1.6
152.07056	20.0
152.08992	0.9
153.01807	1.8
154.02179	1.0
156.03596	1.4
158.99643	1.8
161.01199	1.3
161.02934	1.7
163.02571	0.9
164.07112	5.6
165.07422	1.6
166.08643	20.1
168.06567	1.1
170.99603	0.8
171.04970	1.1
173.01303	0.8
173.02951	1.5
175.02811	0.9
176.07092	13.1
177.00685	2.4
177.04099	1.1
178.04970	1.3
179.02298	1.1
183.04167	1.2
186.04642	1.3
189.00755	0.9
191.02328	0.8
193.03731	0.8
194.08124	73.7
195.08443	2.2
204.08650	1.5
212.09174	100.0
213.09450	2.1
215.00287	0.8
219.01764	3.4
219.05150	1.3
220.06023	2.9
221.04997	2.2
224.60225	0.9
226.06534	0.8
231.05421	2.4
232.81551	0.8
234.05667	0.9
235.06464	1.4
237.02895	5.4
240.05785	2.4
245.05017	1.7
247.02850	1.4
248.95909	0.9
255.06380	1.0
259.02408	1.0
277.03488	1.2
280.12912	1.5
297.18292	0.8
303.01282	1.3
307.06900	1.0
351.06131	0.8
356.13354	2.1
374.10175	1.7
374.14392	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	373.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29739	2.6
53.03934	4.2
55.01873	3.1
55.05510	16.8
57.03430	6.4
59.04986	9.0
60.68009	2.8
61.02916	2.7
67.05506	23.0
69.03435	18.3
69.07070	16.9
69.82009	5.8
69.82435	12.7
71.04979	8.2
71.79903	2.6
73.02949	2.8
79.05486	9.8
81.03391	9.4
81.07041	24.2
83.04981	79.5
83.08587	4.4
83.73556	2.7
85.02905	41.3
91.05441	7.5
93.07026	11.6
95.04969	19.0
95.08605	18.2
97.02888	8.1
97.06516	4.7
98.21455	4.2
99.04447	9.0
99.08064	3.1
105.07012	7.1
107.04942	5.4
107.08588	10.3
109.02869	6.4
109.06517	11.9
109.10149	43.7
111.08082	5.2
119.08573	11.6
121.10155	4.3
123.08079	3.7
123.11723	4.6
125.09638	3.0
127.03890	13.1
131.04958	3.9
131.08502	3.4
133.10106	6.6
135.11690	12.4
137.05952	17.1
137.09608	100.0
145.05013	5.7
145.10164	3.8
149.90994	3.2
151.11208	3.8
152.40189	2.6
153.12752	3.0
155.10674	19.2
163.07513	4.4
167.07014	9.4
170.94707	2.6
173.05888	2.7
175.14833	8.0
191.06943	4.3
193.15877	56.7
311.09412	3.3
327.12119	2.9
336.90283	2.7
373.14029	4.0
373.18396	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51341	3.4
53.03935	6.5
55.01861	5.4
55.05512	22.2
56.96553	8.1
57.03420	8.4
57.07063	7.9
61.02909	5.2
67.05501	36.8
69.03416	8.5
69.07064	49.2
69.44341	16.2
69.44772	13.7
71.04976	6.6
71.83826	3.3
79.05485	26.3
81.03399	10.5
81.07052	100.0
83.04969	8.7
83.08623	24.1
84.08109	4.3
85.02911	7.7
85.06522	13.8
91.05459	24.1
93.07033	44.3
95.04963	11.8
95.08608	65.9
97.06516	8.1
97.10185	10.1
98.20705	3.7
99.04443	11.9
99.08106	3.6
101.05974	5.2
103.05461	5.4
105.07014	32.3
107.04944	13.2
107.08587	36.2
109.02855	5.1
109.06528	6.8
109.10144	36.8
109.72672	3.7
111.08058	8.0
111.11664	5.0
115.05430	4.6
117.07008	5.3
119.04980	4.4
119.08592	21.9
121.06540	6.0
121.10131	34.1
123.04441	5.1
123.08041	10.9
123.11685	25.6
127.07545	10.4
128.06293	4.1
131.04918	8.3
131.08514	6.8
133.10121	18.0
135.08031	6.2
135.11688	24.4
137.05943	19.4
137.09578	5.3
137.13249	14.4
143.08563	6.6
145.10100	9.8
147.04427	6.6
147.11665	29.7
149.05969	4.2
149.13219	20.4
151.03874	8.4
151.11154	20.6
153.01796	18.5
153.05461	4.2
159.11674	8.1
161.05997	6.5
161.13260	12.2
163.07584	7.0
163.14766	8.4
165.12733	12.3
167.03293	4.0
167.07051	20.8
171.11676	5.9
173.13249	6.1
175.07539	11.7
175.11165	8.9
177.05443	5.4
177.12694	7.7
179.10738	7.1
179.14516	3.8
181.04918	6.0
181.12219	5.6
191.06998	12.0
191.13982	3.5
193.08563	8.0
193.12250	16.8
195.13792	13.3
201.16391	3.6
207.13797	7.6
211.07545	5.6
217.67896	3.5
222.06473	3.6
223.07401	4.5
229.14233	8.5
237.08740	5.0
238.06317	4.1
253.08583	6.1
265.08429	5.1
267.09088	6.7
268.07428	3.8
281.08072	5.1
285.10092	18.9
289.12955	3.5
295.05707	3.3
301.25217	9.4
303.11154	4.5
309.11334	6.2
313.11041	6.9
319.26285	33.7
323.12521	5.5
327.12183	11.4
337.27267	22.1
341.13348	11.7
355.15237	4.7
355.28735	8.1
373.12546	17.4
373.16843	5.9
396.98706	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	373.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63766	2.7
55.05492	3.2
62.28317	3.0
67.05496	5.4
69.03429	5.5
69.07064	5.2
70.39810	10.8
77.54433	2.9
79.05492	6.3
81.07051	16.7
85.02899	19.5
91.05475	6.6
93.07035	9.5
95.08595	19.7
97.02899	7.1
97.06518	3.7
99.08135	5.7
103.05452	4.6
105.07032	15.9
107.04974	5.1
107.08566	13.9
109.02885	4.5
109.10160	4.4
115.05480	3.5
119.07793	4.9
119.08582	52.4
121.10184	2.9
131.04898	5.3
133.10133	66.9
135.11671	14.0
137.05948	4.1
137.09645	3.9
149.02339	6.7
152.08295	5.2
163.07622	6.8
167.07050	6.4
167.11832	3.5
175.12508	3.8
175.14815	100.0
177.05460	9.3
193.08524	3.5
193.13417	17.4
193.15897	9.6
196.08931	3.2
211.14461	29.1
211.16562	4.3
223.83690	2.8
256.90390	2.8
309.11255	3.1
313.10941	3.9
317.50360	3.1
341.13907	13.0
373.09164	6.2
373.13419	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	373.2218
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
56.76111	13.9
64.02056	14.4
67.05496	14.3
68.66990	12.7
69.03430	17.2
69.07059	18.3
69.62421	100.0
81.07033	21.1
83.04951	15.8
95.08613	35.3
107.08595	24.1
109.10155	91.0
119.08605	24.5
120.06470	12.8
133.10139	17.2
135.11670	77.2
137.09537	14.8
168.61226	14.2
175.14795	38.7
193.15855	44.6
211.16878	82.6
241.37744	15.5
317.07516	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31314	4.2
55.05508	18.2
57.03420	8.5
59.04974	12.4
67.05499	24.1
69.03422	17.9
69.07053	12.6
70.70277	12.1
71.04961	5.1
73.88044	3.4
79.05466	14.3
81.03394	4.9
81.07047	20.8
83.04974	68.1
83.08644	4.1
85.02905	44.1
91.05445	6.6
93.07033	17.6
95.04969	18.0
95.08610	23.1
97.02888	12.3
99.04438	8.7
105.07001	9.4
107.04947	11.1
107.08593	14.9
109.06512	12.2
109.10147	49.3
111.08031	6.3
119.08558	17.1
121.10107	7.0
125.09608	4.8
127.03901	10.8
133.10081	28.0
135.11690	14.7
137.06015	5.9
137.09616	100.0
139.33513	4.1
145.04926	5.1
145.06544	4.2
147.11661	6.3
155.10664	19.1
163.07556	8.0
167.07048	11.1
167.10719	3.9
175.07483	6.3
175.14809	27.5
177.09126	5.1
177.16609	4.5
193.15878	66.1
223.09277	5.0
341.13870	12.6
373.18039	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	373.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	10.4
55.05504	15.8
57.03419	9.8
65.03931	12.0
67.05495	21.7
69.03407	21.9
69.07075	8.2
71.04972	8.6
79.05498	40.6
81.03416	18.2
81.07038	23.4
83.04977	10.3
85.02887	22.6
91.05479	34.1
93.07030	17.2
95.04939	16.6
95.08595	18.0
98.21510	23.1
98.28728	7.5
103.05463	20.4
105.07026	36.4
107.04943	18.5
107.08583	25.6
109.02875	22.2
109.06516	14.4
109.10135	12.0
109.34468	8.0
115.05423	15.0
117.07011	8.9
119.04926	8.7
119.08559	16.9
120.08142	10.8
121.06474	9.2
121.10140	19.1
123.04438	8.6
125.05930	9.5
129.07060	12.9
131.04919	30.0
131.08551	20.3
133.06465	10.9
133.10095	13.5
135.08047	11.0
137.05963	40.1
141.07002	13.2
143.08571	13.4
144.54993	8.8
145.06467	24.3
147.04443	13.5
147.11656	17.6
149.05969	10.4
151.03879	15.3
153.05475	8.8
155.08649	9.7
157.10138	15.2
161.05922	19.0
161.09639	9.3
163.07487	29.4
165.05568	15.4
165.06940	14.6
167.07072	59.4
167.08359	15.8
169.10139	19.5
171.08073	12.5
173.09615	10.5
175.07526	33.4
178.07771	14.5
179.08603	17.7
181.04958	8.8
181.06503	11.3
181.10100	10.3
189.06909	10.9
190.10757	8.8
191.06987	22.4
193.08612	21.0
193.10226	12.0
193.12260	9.4
195.08115	18.2
196.08821	14.5
197.13202	13.7
199.11125	11.0
205.06476	16.4
206.07343	8.4
207.08034	16.6
207.11815	10.3
209.09579	12.7
211.07443	9.0
211.11211	15.9
219.08121	12.5
220.08867	13.3
221.06100	7.9
221.09262	13.0
222.06677	15.7
223.11169	10.3
224.08315	12.3
225.09007	19.6
225.12694	12.2
233.05962	10.4
234.06699	17.8
235.07469	36.1
237.05544	8.5
237.09018	10.3
239.07079	15.3
248.08148	10.7
249.09235	15.9
250.06465	11.6
251.06932	17.3
253.08554	11.6
261.05447	10.0
262.06265	15.0
263.07001	31.6
265.05133	10.2
265.08566	28.5
267.06577	9.9
267.09616	10.3
267.17410	28.0
268.10458	8.0
269.08087	13.3
277.08484	27.1
277.15805	17.6
279.06345	14.6
281.08084	23.5
282.08563	12.9
283.09634	16.0
293.07956	15.9
294.08743	10.3
295.09601	25.2
295.16913	100.0
296.10376	12.2
299.09360	9.8
307.09625	8.7
309.11206	32.2
311.09036	10.0
313.11075	15.5
318.54227	8.0
319.87997	10.5
323.12451	11.7
325.10522	11.0
327.12253	57.4
337.10788	15.2
341.13782	45.2
355.11771	52.3
355.15454	12.9
373.12729	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.1
55.01871	3.0
55.93565	2.0
57.03427	3.6
59.37492	2.0
67.05490	3.7
69.03416	5.2
70.57010	1.7
71.57872	2.0
78.04694	3.6
79.05482	12.2
81.03420	6.8
81.07047	2.9
85.02901	4.2
91.05466	13.4
93.07060	4.6
95.04981	5.8
97.02917	2.4
97.06532	3.4
103.05463	23.8
105.07038	11.9
107.04951	96.4
107.08586	2.9
109.02832	2.8
109.06519	2.7
109.72829	2.0
115.05470	7.1
117.07009	3.0
120.05684	4.2
121.06512	3.7
122.03663	4.6
122.07282	2.4
123.04418	8.4
123.08020	4.4
124.05195	2.4
125.06006	4.9
127.03915	2.2
128.06201	3.7
131.04935	19.8
132.05707	2.1
133.06517	4.8
135.08060	27.8
136.05177	3.2
137.05978	36.9
141.07031	2.4
143.04959	2.5
143.08583	4.7
145.06519	3.2
145.07594	3.4
149.05977	6.2
151.07587	5.0
152.08316	7.7
153.05457	11.0
161.05995	10.5
163.07541	100.0
164.07919	3.8
165.09097	2.7
167.07034	55.1
171.08124	2.3
175.07565	8.8
177.05473	4.8
179.07053	4.6
181.08629	6.0
183.06519	2.9
191.07068	3.7
193.08578	12.7
195.10162	40.8
196.10545	2.9
199.22177	2.1
203.10632	10.2
211.09653	6.9
212.18407	2.1
213.11270	5.6
220.16998	3.0
235.07451	2.8
239.06880	2.2
265.08694	4.2
291.10297	2.2
295.09668	5.2
309.11090	4.5
313.11340	2.2
313.79919	2.2
323.12701	4.7
327.12411	2.9
341.10294	3.0
341.13834	20.0
373.09180	2.8
373.17380	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	373.149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53760	2.6
53.03925	3.5
55.05501	3.4
59.05000	2.3
63.70320	2.6
65.03905	2.7
67.05474	6.7
69.03419	8.9
71.04988	8.2
71.18373	5.8
71.18748	2.9
73.02850	2.8
79.05476	14.7
81.03416	8.5
81.07066	12.2
83.04998	3.1
85.02895	10.9
91.05442	13.4
93.07036	8.2
95.04954	9.3
95.08588	5.3
97.06553	4.3
103.05464	18.7
105.07013	16.6
107.04957	100.0
107.08595	3.3
109.02867	2.7
109.06543	3.6
109.10127	3.4
115.05444	8.3
117.07015	3.5
119.08598	8.7
120.05766	5.6
121.06474	3.2
122.03678	5.4
127.03887	2.9
128.00737	3.0
131.04948	13.5
133.06471	3.5
133.10127	9.7
135.08022	26.3
137.05975	33.3
145.06525	3.4
149.05962	6.2
151.03998	3.3
161.05997	8.9
163.07536	95.4
167.07051	47.8
175.14828	10.6
181.08606	6.2
184.47644	3.5
193.08649	3.5
193.14246	3.6
195.10129	37.8
210.14886	6.3
211.15262	13.7
212.16493	7.5
213.11186	4.8
251.07187	4.3
266.09531	2.9
295.09656	3.8
309.11292	2.8
313.11725	6.2
314.11459	3.6
323.12900	4.4
326.61301	2.9
341.13757	13.5
373.09387	5.0
373.13245	15.3
373.20554	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	373.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01866	3.9
55.05509	29.2
57.07069	2.7
59.04986	1.0
67.05482	3.6
69.03416	1.5
69.07073	4.8
70.06585	4.4
71.07062	2.0
78.56484	1.0
79.05470	1.5
80.81568	1.0
81.03431	1.7
81.07055	4.1
82.06574	3.8
83.04984	9.0
83.08619	15.7
84.08135	3.0
85.02911	2.4
85.06530	2.9
91.05438	2.0
93.07040	4.5
94.06557	1.4
95.04949	3.8
95.08569	1.0
97.06533	2.5
98.09689	3.3
100.07618	16.6
100.11254	53.2
101.06021	3.3
103.05490	1.0
105.07011	2.7
107.05002	2.5
107.08574	1.7
108.04469	2.7
109.06533	1.4
110.06058	1.9
111.04439	21.7
111.08046	1.2
112.07592	8.3
114.09165	3.2
117.03305	1.6
119.08558	1.8
121.06520	1.5
121.10119	2.2
122.06044	1.4
123.04489	1.4
126.09135	5.4
128.06158	0.8
128.07063	18.3
129.05484	3.8
130.06544	2.7
131.04953	1.2
133.10136	1.5
135.08064	1.4
137.05925	2.1
138.05502	1.4
140.07068	10.3
146.06018	2.2
147.11731	3.4
148.07565	1.8
153.01964	1.0
157.07603	4.7
157.10172	1.2
158.08029	1.1
160.68062	1.0
163.07549	3.4
164.14352	1.7
165.06964	1.4
165.09113	4.0
166.04933	1.1
166.15923	1.1
167.07079	3.3
168.06561	5.0
168.13940	1.8
174.05487	1.2
175.07516	2.0
177.05536	2.0
181.08817	1.9
182.15396	74.1
184.61940	1.1
192.13828	2.1
193.08609	5.3
193.12242	2.5
196.07619	1.0
205.00159	1.4
206.08311	1.7
209.16508	1.6
210.14883	96.4
211.08556	9.9
211.12299	2.6
212.09401	3.4
213.10245	2.8
214.09613	1.8
221.10747	3.3
222.09196	3.5
223.08624	1.5
223.12296	1.8
224.09000	1.7
224.10768	4.4
225.10239	13.0
226.10867	1.8
227.17490	7.1
228.15939	33.9
229.14261	1.1
239.08167	1.7
239.11800	18.7
240.12289	2.3
241.09720	2.0
241.13351	2.2
245.18686	5.1
250.08617	1.7
251.08229	3.1
252.09074	4.5
253.09755	12.3
254.10524	1.3
257.12790	1.9
267.11270	19.7
268.12024	1.8
269.12811	2.0
284.11417	1.5
285.12286	1.8
287.90564	1.0
295.10748	12.4
309.21793	1.3
313.11798	58.2
314.12198	2.4
337.21179	43.0
341.11157	6.7
355.12756	1.8
355.22253	24.3
359.12534	2.2
373.13947	100.0
373.18219	8.1
373.23489	5.2
374.14221	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	373.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	10.9
61.02911	8.7
71.57382	12.8
74.38931	7.4
77.47809	7.6
80.55103	8.0
84.04492	21.8
85.02889	22.8
94.95135	7.8
97.02882	12.1
98.97578	16.8
100.89777	7.1
113.50497	8.0
116.98589	23.8
119.01909	9.7
126.05470	24.1
153.01811	31.6
155.01976	9.7
163.07591	10.6
164.10651	13.2
165.11060	24.9
171.65128	8.3
173.03046	12.1
195.94383	7.7
202.06741	10.0
205.29242	8.8
210.11249	13.3
211.00879	23.4
211.11588	19.2
253.01854	10.8
271.02957	23.6
373.08865	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.9
56.06850	0.6
56.96564	1.4
57.03418	1.1
61.02919	2.4
62.06077	0.9
63.06517	0.5
64.15712	0.5
69.03429	5.8
70.74960	1.7
71.04993	1.4
72.04525	1.1
72.91691	0.5
73.02913	1.3
73.04755	1.2
79.05492	0.9
81.03408	2.6
85.02899	15.0
87.04462	0.8
91.05854	5.9
92.05746	1.2
97.02884	5.6
99.04462	1.7
103.05447	3.2
105.07005	5.8
106.66877	0.6
107.04945	1.2
109.02895	2.0
114.07371	0.7
117.05760	0.9
117.07024	2.7
118.05059	0.6
118.06545	2.4
119.07311	3.7
120.08105	5.2
127.03890	2.4
129.07011	3.4
131.04980	1.4
131.07289	1.1
139.03789	0.7
144.08035	1.3
145.04929	2.0
146.09654	6.7
153.01784	0.9
164.10707	100.0
165.11092	2.1
175.10426	0.7
181.01715	1.0
192.10190	2.2
199.02777	3.2
210.11237	97.2
211.05954	0.7
211.11526	1.4
223.02689	1.5
224.27913	0.7
234.11136	1.2
241.03856	0.8
248.02762	0.7
253.03775	0.8
269.97781	1.5
285.00952	1.2
285.78488	0.7
286.00909	1.5
336.14310	0.9
356.07071	1.9
371.04260	0.6
372.12372	2.2
372.16449	3.7
373.08066	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.7
55.01865	6.7
56.97268	4.9
57.03436	12.1
61.02925	15.6
67.05492	6.2
69.03428	44.7
69.82008	27.0
70.06571	5.9
71.04996	8.3
73.02914	6.9
79.05478	11.9
81.03407	20.6
81.07070	7.3
82.06602	4.9
83.05005	7.3
85.02909	86.8
87.04470	12.4
88.91233	5.3
89.06013	8.5
91.03979	8.1
91.05448	16.9
93.07052	11.1
95.04955	8.9
95.08592	5.9
97.02917	32.0
99.04449	8.8
103.05457	38.2
105.07027	47.6
107.04932	12.9
107.83839	6.1
109.02889	10.3
115.05450	12.5
116.06200	6.0
119.04975	15.7
119.08572	7.9
121.06494	15.2
124.03923	5.4
127.03934	15.4
131.04939	35.6
132.05746	5.6
133.06491	53.6
133.10088	6.1
135.04436	7.9
137.05960	14.9
145.04944	14.7
147.04407	12.4
149.05981	23.6
151.07532	15.3
154.06215	10.2
161.05963	51.1
162.06750	6.8
163.07541	71.9
167.07039	100.0
175.07495	6.6
175.14890	6.7
177.05486	9.1
179.07005	26.4
181.08696	9.7
182.09398	80.2
191.06952	6.1
192.40768	5.0
193.08600	19.6
194.09383	75.0
208.07312	6.3
209.08069	21.7
210.08861	31.2
231.06638	5.3
372.16098	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	371.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21340	2.7
54.35883	2.8
55.05510	22.8
57.03419	3.7
57.07068	6.8
59.33741	3.3
65.03929	3.9
66.68110	3.1
67.05505	33.9
69.03418	9.2
69.07066	51.5
70.83421	6.4
70.83743	4.5
78.17981	3.5
79.05485	19.0
81.07047	57.0
83.04967	9.9
83.08606	10.3
85.06526	10.3
91.05405	14.9
93.07046	29.8
95.04956	9.0
95.08603	34.9
97.06522	6.7
97.10184	9.0
99.04439	5.5
99.08090	9.6
103.05504	4.7
105.07027	44.7
107.04934	14.6
107.08599	33.4
109.06496	14.1
109.10159	42.1
111.08131	4.5
111.11697	8.7
115.05444	4.8
119.08555	27.2
121.06495	6.3
121.10144	17.9
123.08099	8.9
123.11696	20.8
125.09634	5.2
127.07577	3.6
127.11189	9.3
128.06187	3.0
129.07013	13.0
131.04895	6.0
131.08521	5.6
133.06505	4.4
133.10103	16.5
135.11687	11.6
137.05963	12.6
137.09599	4.7
137.13225	3.6
139.11188	8.0
145.10112	9.5
147.11674	34.5
149.06009	6.8
149.09604	6.6
149.13240	9.4
151.11153	10.1
156.05711	4.2
157.06462	8.2
157.10092	4.4
159.08023	6.1
159.11734	7.2
161.06020	6.0
161.09631	3.2
161.13272	18.9
163.03868	3.3
163.11220	4.8
163.14789	6.7
165.12747	30.6
167.07057	35.6
171.11674	5.6
173.11755	4.5
173.13257	5.2
175.07581	7.1
175.11311	4.8
177.05415	9.6
177.12718	4.2
178.07750	3.6
179.14294	6.5
181.04871	7.2
181.06528	3.6
187.07594	6.2
189.09143	9.3
191.07013	5.4
193.12224	19.9
195.08069	7.0
207.08037	4.7
207.13776	15.4
215.18173	3.3
217.08641	8.4
218.07236	7.8
221.06058	4.3
222.06570	4.1
224.08295	5.0
229.14293	6.1
231.08063	4.8
233.09653	4.4
234.06725	7.0
235.07539	5.2
236.08299	5.6
237.05553	4.1
237.18423	5.4
240.07813	4.0
243.15839	5.3
246.70949	3.2
248.08237	4.8
249.09126	12.3
250.06152	5.9
250.09828	6.4
251.07065	4.3
252.07756	11.1
253.08376	3.9
261.09039	8.3
263.07190	5.0
264.07800	8.4
265.08594	17.0
266.06207	3.4
266.09238	14.7
277.08563	11.6
278.09299	5.6
279.09967	3.7
280.07330	12.0
281.08020	9.6
281.11044	3.3
285.07495	5.4
285.56827	3.6
289.08664	5.3
293.08447	5.8
293.11703	15.2
294.08643	4.0
295.09616	4.8
296.10541	10.4
297.07654	3.3
299.23660	6.5
307.09515	4.2
309.11310	6.3
311.12759	9.6
317.24707	14.5
321.11160	12.7
335.25748	11.2
339.12274	100.0
340.12735	15.5
353.13828	5.5
371.10767	2.9
371.14832	43.7
371.29544	4.3
372.15207	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	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.2
54.18439	1.2
55.01870	3.3
55.05499	4.8
57.03422	4.4
61.02910	4.1
67.05492	5.6
69.03427	21.4
69.07066	12.5
69.40261	1.1
71.04979	5.1
71.57623	1.6
71.58078	2.0
73.02904	2.7
79.05501	7.9
81.03407	8.7
81.07048	9.1
83.04972	3.5
83.08604	1.8
85.02899	100.0
85.06530	1.9
87.04442	1.6
88.10291	1.2
91.03931	1.6
91.05401	7.1
93.07039	11.3
93.35103	1.2
95.04956	11.6
95.08587	6.6
97.02882	15.2
97.06497	2.8
99.04443	4.0
103.05452	3.2
105.07016	8.1
105.61906	1.3
107.04935	10.8
107.08611	8.4
109.02892	6.3
109.06510	5.9
109.10178	3.0
111.04489	1.6
115.05424	3.7
119.04941	1.7
119.08566	7.7
121.06506	4.6
121.10133	6.0
122.07299	1.5
123.04352	1.5
123.08083	6.8
123.11656	1.8
125.05980	3.7
125.09621	2.2
127.03899	12.7
127.11108	1.4
129.07007	5.0
131.04918	3.7
131.08559	4.2
133.06419	1.5
133.10124	10.1
135.04410	1.5
135.08029	13.2
135.11690	1.9
137.05951	14.9
137.09694	1.9
143.03432	3.2
143.24643	1.3
144.05711	3.4
145.04926	11.3
145.06490	3.7
145.10117	3.9
147.04422	1.8
147.06427	1.4
147.08105	1.5
147.11665	5.3
149.05923	2.3
149.09602	1.9
149.13293	3.5
151.03914	1.8
151.07536	2.5
151.11185	2.9
152.01759	1.2
153.01805	22.0
154.02151	1.9
156.05685	1.8
157.06474	3.8
159.08037	4.4
159.11632	1.8
161.05997	2.1
161.09648	2.0
163.03949	2.3
163.07513	1.8
163.11232	1.5
165.05632	2.1
165.07037	3.5
165.12743	18.7
166.07771	1.3
167.07034	22.1
169.06470	1.4
171.07944	1.5
171.11620	1.8
173.13275	3.3
174.06721	2.0
175.07492	6.1
175.14828	1.4
177.05437	2.8
178.07858	3.0
179.08582	2.1
181.04967	2.8
181.06523	4.2
187.07516	4.1
187.14816	1.6
189.07010	2.7
189.09117	5.1
190.07709	1.8
191.06929	2.7
191.08629	1.4
191.14299	31.6
193.15749	1.4
194.07240	3.7
195.07991	1.6
198.06732	1.3
199.07574	2.2
201.09151	3.6
202.07841	1.6
203.08636	2.2
205.06505	4.0
205.08456	1.8
206.07240	4.6
207.08022	4.2
208.08875	2.0
209.05864	1.8
209.09700	2.3
209.15349	37.6
211.07545	3.5
217.08572	8.5
218.07339	3.7
219.08041	4.1
219.10086	1.8
221.05965	3.5
221.09494	3.5
222.06746	5.5
223.07542	5.4
224.08273	4.4
227.10771	2.9
231.08023	3.1
232.08769	2.2
233.05849	1.5
233.09601	4.8
234.06740	5.7
234.10156	2.2
235.07587	8.7
236.08136	2.9
237.05492	2.9
237.09084	5.7
240.07886	2.0
241.08638	3.8
246.06848	2.8
247.07513	5.2
249.05484	2.1
249.06590	1.4
249.09135	15.0
250.06271	4.9
250.09871	4.3
251.07037	7.0
251.10599	1.6
252.07805	14.6
253.08585	3.7
261.09100	6.0
262.09665	2.5
263.07010	6.9
263.10626	2.1
264.07880	7.0
265.04788	2.1
265.08624	18.0
266.06537	1.4
266.09335	11.7
267.06464	1.3
267.10110	3.7
269.08060	3.1
277.08588	9.9
278.09299	5.2
279.06552	2.3
279.10138	5.1
280.07275	12.9
280.10443	2.0
281.08014	8.1
281.11444	2.3
282.08481	2.0
283.09683	2.4
283.13300	1.5
284.10382	2.0
285.07681	3.8
285.11169	3.8
289.08548	2.3
291.09937	2.0
293.08133	4.6
293.11707	14.8
294.08780	2.8
295.09695	8.0
296.10349	10.2
297.07770	2.0
297.11084	2.9
300.09885	5.4
301.10498	1.7
306.08948	2.3
307.09592	4.2
309.07800	2.0
309.11169	5.2
310.11914	2.5
311.09372	1.8
311.12747	12.0
312.09827	3.5
313.10657	4.8
321.11160	10.3
322.11539	2.0
323.09088	2.6
324.09845	2.4
325.10925	3.4
326.11295	2.6
327.12177	10.1
335.18591	6.8
339.12244	94.1
340.12720	13.7
341.10208	1.9
341.13901	4.9
343.15454	2.7
353.13794	9.8
353.19440	2.5
354.19537	1.4
371.07471	3.3
371.14902	41.4
371.20563	27.5
371.29858	1.4
372.15225	5.4
372.20813	2.7
392.04028	1.5
394.50510	1.4
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	Unknow
Peak:m/z	Relative Intensity
50.16562	6.4
55.05505	9.1
60.47005	6.4
67.05512	9.0
71.57594	7.2
71.65044	6.6
81.07024	7.8
86.21264	6.5
86.21855	6.7
95.08701	7.1
107.08578	20.0
109.10155	15.5
119.08572	9.5
121.10107	9.5
124.53243	7.3
131.08517	7.4
133.10141	100.0
135.08047	15.3
135.11736	18.4
135.25261	7.7
137.05969	14.2
137.09607	64.8
146.45567	7.1
149.13234	11.7
153.01828	13.5
167.06998	11.0
175.14748	9.2
191.14268	40.6
206.07265	9.2
217.08578	13.1
223.67139	6.6
227.85786	8.5
249.09200	10.9
277.08621	8.9
339.12283	18.8
353.13855	14.5
371.14850	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	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	4.4
55.05508	11.9
56.96553	16.6
57.03415	6.4
58.52803	4.2
63.89304	4.6
67.05482	6.6
69.03417	16.6
69.63326	35.7
71.04989	8.1
74.39527	5.1
79.05491	16.6
81.03380	8.3
81.07040	14.7
83.04994	7.8
83.08609	8.6
85.02890	14.0
86.88274	4.4
93.07038	15.4
94.00237	5.0
95.04987	6.6
95.08624	13.8
97.02815	4.5
97.06522	4.9
98.21516	6.6
98.97582	22.4
100.11265	9.4
105.07006	11.8
107.04985	5.9
107.08606	24.2
109.02852	9.3
109.06507	5.7
109.10147	10.9
113.52789	4.2
116.13592	4.7
116.98631	15.5
119.08582	10.2
121.10129	17.2
123.04413	5.7
125.09640	6.6
128.98619	4.7
131.08572	6.9
133.10106	10.3
135.08090	10.0
135.11702	9.1
137.05974	14.2
147.11697	11.1
149.09624	7.1
149.13246	15.1
151.11151	33.8
153.01871	9.0
158.99698	7.8
161.05879	5.0
163.14850	10.5
165.12714	4.7
167.07005	14.2
168.07228	4.3
173.13210	6.1
174.06889	4.9
177.00641	9.8
181.05005	8.3
189.09076	9.4
191.14333	45.6
195.07906	8.2
209.15353	26.0
210.14780	7.7
219.01613	9.6
219.07959	9.7
219.10088	10.4
235.07372	5.7
237.02792	15.3
237.06917	10.5
245.10577	6.7
249.08989	7.9
252.07840	9.2
266.09418	5.4
269.10724	5.9
278.09274	6.9
290.14508	7.1
295.11102	7.6
321.10876	7.7
325.10498	5.5
327.12277	5.0
338.11078	5.4
339.12274	45.6
340.12640	10.3
371.14648	100.0
372.15173	5.8
389.14804	16.4
394.78912	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	371.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89184	6.9
51.10271	5.9
53.03936	8.5
55.01855	12.6
55.05525	14.9
63.97299	6.4
67.05508	16.1
69.03415	29.8
69.07064	17.0
70.92966	9.2
70.93307	11.6
71.04976	14.1
79.05487	27.3
81.03417	23.0
81.07050	30.7
83.05004	7.8
85.02898	30.4
91.05393	8.8
91.05794	24.2
93.07047	39.0
93.07569	6.7
95.04968	12.9
95.08607	23.3
97.02898	22.9
97.06536	12.0
101.06005	7.0
103.05428	8.5
105.07010	23.5
107.04964	16.0
107.08581	61.4
109.02872	12.6
109.06540	16.0
109.10185	12.5
112.54518	7.4
115.05463	8.9
119.08572	17.4
121.10147	51.3
123.04421	12.2
123.08053	6.3
123.11684	6.5
127.03905	13.0
129.06969	7.9
131.08575	9.4
133.10138	26.3
135.11679	19.6
137.05989	25.8
137.09653	12.2
145.04922	7.1
147.04434	19.1
147.11656	10.8
149.09586	6.8
149.13266	8.5
150.43864	7.6
151.07474	7.4
153.01836	15.1
159.08076	8.7
161.13257	15.1
163.11229	6.8
163.14828	28.5
165.12773	11.6
167.07019	43.3
173.13269	11.7
177.05469	10.5
181.05019	10.0
185.09741	7.8
185.19223	7.0
189.09135	10.4
190.07802	7.6
191.07108	7.7
191.14334	49.5
195.39151	6.9
207.08151	8.8
208.08900	7.7
209.15549	34.4
217.08681	13.9
218.07234	7.7
219.08099	7.7
222.06696	7.3
233.09665	7.4
235.07562	17.1
236.08287	12.8
247.07481	9.2
249.09117	15.6
252.07765	8.0
253.08527	8.2
264.07605	11.0
265.08633	18.3
265.45145	6.2
266.09384	12.4
269.08151	6.3
274.65955	7.3
277.08612	12.2
279.10175	9.0
280.07379	10.4
281.08130	7.8
281.11548	7.0
283.02655	7.9
283.09564	15.0
285.00937	14.0
287.16315	7.4
293.11768	13.1
295.09824	8.6
296.06821	6.6
296.10251	11.1
305.95853	6.6
307.09698	11.4
309.11227	8.0
311.12848	14.5
313.10739	9.7
321.11212	11.6
328.13055	30.0
339.12335	100.0
340.12784	14.1
353.13632	12.1
353.19553	8.4
371.07376	15.4
371.15485	54.1
380.47729	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	371.1672
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
53.85971	0.6
55.67284	0.7
57.03415	0.7
69.03406	1.0
70.06570	0.8
71.56567	0.9
81.07043	1.0
85.02886	1.1
89.06009	0.7
91.05859	3.6
97.02882	1.0
97.06502	0.7
107.04935	0.9
109.06482	0.7
111.04368	0.7
113.74443	0.7
116.56067	0.7
121.88940	0.6
128.96840	0.6
135.04437	0.6
137.05954	1.1
149.02332	1.3
153.01811	0.7
153.05348	0.8
156.23820	0.6
163.03859	0.8
167.06996	1.6
185.04202	0.6
193.12010	1.1
194.02151	1.3
201.03668	1.4
203.05299	1.7
209.04451	13.2
217.08655	0.8
233.13972	0.7
268.97690	0.9
280.73236	0.7
285.00836	0.7
289.08893	0.6
301.12552	2.5
303.01971	0.6
313.12701	1.5
321.10876	0.9
339.12262	0.7
371.13342	4.6
371.16766	100.0
372.17175	4.1
385.68710	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.4
65.79195	7.0
66.59630	6.5
69.03442	42.3
71.02908	19.0
71.04997	8.8
71.32650	5.4
79.05488	13.6
81.03414	7.6
81.07078	11.3
83.04970	33.9
85.02914	7.9
88.95744	6.8
91.05825	11.8
93.07041	10.3
95.04999	11.1
97.02911	7.2
105.07018	16.8
107.08551	7.7
109.06535	6.7
115.68510	6.9
117.07008	6.9
121.06476	10.4
127.96769	7.0
129.06998	9.6
131.08572	11.8
137.05975	19.0
137.09628	8.9
143.08559	8.6
145.06531	11.2
147.08081	6.7
148.06029	7.6
149.09601	10.0
151.07608	6.6
153.01860	10.4
153.06958	8.2
155.08572	12.8
156.09383	8.1
157.06471	6.3
159.08060	16.3
159.11606	6.7
161.09679	8.0
165.06973	18.8
166.07776	7.8
167.07108	8.0
167.08569	16.0
171.08051	10.2
173.09518	13.1
175.07550	11.8
175.26201	6.3
177.09123	7.8
179.08517	13.7
179.31786	6.9
180.09344	8.6
181.10150	10.3
183.08052	7.5
185.09615	19.9
187.07529	10.3
187.11208	16.0
193.10159	18.8
195.08118	15.6
195.11716	19.0
196.08783	16.4
197.09593	14.7
199.11188	14.7
205.10149	7.8
207.07993	9.3
207.11655	12.4
208.08829	16.0
209.09659	34.6
211.11169	35.0
212.08238	8.7
217.04907	14.7
217.10214	9.3
219.08110	9.0
221.09697	16.2
221.13292	11.5
222.10342	14.2
223.11156	51.8
224.08328	10.6
225.12657	9.9
227.01918	7.2
227.10704	11.9
232.12456	13.2
233.09717	10.3
234.10269	7.7
235.11176	17.8
236.11969	14.0
237.09140	8.9
237.12613	9.7
238.09953	10.2
239.10710	20.1
239.14255	7.9
241.12103	11.2
247.14859	9.7
250.13531	14.3
251.10672	15.8
251.14311	18.1
253.12274	6.9
260.12173	9.1
263.10565	7.8
263.14310	8.0
265.15790	35.9
267.13843	8.0
269.11664	12.0
275.14313	14.7
277.08640	10.2
278.13037	9.5
281.15518	10.8
283.09225	6.4
283.16824	24.8
285.00873	10.0
293.15350	70.8
311.16309	100.0
329.17438	60.6
339.12161	12.6
353.13892	12.9
371.11475	14.9
371.16708	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09793	0.8
58.32315	0.8
65.48692	0.7
69.98990	3.7
81.07050	0.7
91.05448	1.4
91.67805	0.7
95.08665	0.7
105.18845	0.8
107.04929	1.8
107.82074	0.7
119.04954	1.6
120.00870	0.8
120.88856	0.8
131.04906	1.4
133.06442	0.8
135.04402	1.4
137.05980	1.1
145.06480	1.0
152.06241	1.1
153.07033	0.8
165.06973	2.9
166.07727	1.3
167.06995	1.6
177.05356	0.7
178.07785	3.7
179.08548	2.0
181.06465	2.7
182.32030	0.8
187.59081	0.8
189.06963	1.1
194.07314	4.9
195.07996	1.8
203.08653	1.8
205.06458	1.8
206.07236	3.5
207.08025	4.9
209.05968	2.8
209.09608	1.5
215.08548	1.3
217.08565	1.1
218.07262	1.4
219.07977	1.3
220.04964	0.9
220.08681	1.0
221.06007	4.0
222.06775	7.5
223.07584	4.3
224.08284	3.6
231.07996	1.3
232.08781	2.8
233.09566	1.9
234.06720	4.2
235.07552	5.7
236.08255	4.4
237.05441	3.3
237.09174	4.1
239.07133	1.0
239.10637	1.0
240.07661	1.9
247.07524	1.5
248.08180	1.8
249.05374	1.8
249.09106	15.1
250.06139	4.6
250.09789	3.0
251.06995	5.2
252.07799	12.7
253.08473	3.4
260.08286	1.4
261.08972	1.9
262.09787	0.9
263.07043	2.9
263.10706	0.9
264.07797	6.4
265.05383	1.6
265.08597	19.9
266.09320	12.8
267.10095	1.5
275.10602	1.1
277.08548	3.9
278.09341	2.7
279.06494	2.3
279.10028	1.7
280.04266	0.8
280.07309	14.0
280.10489	1.2
281.08038	7.5
293.08032	3.7
293.11682	11.9
294.08749	2.2
295.09625	5.3
296.10410	11.4
297.10959	0.9
309.11160	2.1
310.11926	1.5
311.12720	10.2
313.10712	1.0
321.11096	7.0
323.32370	0.9
324.09882	2.0
325.10495	1.2
339.12250	100.0
340.12720	11.5
353.13770	1.1
371.14859	28.4
372.15137	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1489
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
62.57323	1.2
64.53863	1.2
65.12514	1.1
69.62851	2.4
69.63244	8.3
72.35842	1.0
79.01848	1.1
83.90292	1.1
89.59557	1.2
91.05432	1.4
95.04897	1.2
96.88337	1.1
107.04961	2.8
114.17371	1.2
127.48141	1.2
129.06969	1.6
131.04895	1.2
137.05971	2.4
147.04430	1.5
153.01822	5.1
159.08055	1.6
165.06937	2.2
166.07742	1.7
167.07047	3.5
167.08430	1.1
178.06319	1.1
178.07800	4.2
179.08504	2.7
181.06485	1.9
189.06952	2.6
190.07721	1.8
193.06458	1.4
194.07271	4.9
195.07951	2.2
205.06577	2.1
206.07272	3.2
207.08089	5.4
209.06046	2.2
209.09651	1.5
219.08031	2.3
219.10095	1.3
221.05948	3.5
221.09486	1.4
222.06647	5.6
223.07516	3.5
224.08319	3.3
225.09059	1.3
233.05994	1.5
233.09587	2.0
234.06805	3.2
235.07503	7.9
236.08327	5.0
237.05399	2.9
237.09113	3.8
239.07095	1.4
247.07539	1.4
248.08235	1.5
249.05330	1.8
249.09102	13.8
250.06233	3.9
250.09874	5.1
251.07036	4.1
252.07780	10.2
253.08418	3.3
261.08984	2.9
263.07059	3.4
264.07831	5.1
265.05133	3.0
265.08609	19.5
265.11691	1.4
265.12549	1.2
266.09274	9.6
277.08591	4.8
278.09418	2.6
279.06726	2.1
280.07324	13.0
280.10446	1.9
281.08023	6.1
289.08527	1.6
293.08469	2.4
293.11572	8.5
294.08914	1.8
295.09708	4.6
296.10339	9.4
309.11115	3.0
311.12750	9.7
321.11115	7.9
324.09787	2.5
339.12238	100.0
340.12747	10.0
353.13593	2.0
371.14874	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	371.1488
Annotation	Gliocladinin A
Peak:m/z	Relative Intensity
55.01855	3.8
55.05487	2.8
62.64977	1.7
65.03916	4.1
67.05470	6.4
69.03393	7.3
69.07050	2.7
69.52988	14.7
71.04975	2.6
78.04681	2.3
79.05483	8.6
81.03427	2.7
81.07014	4.8
83.04945	4.6
85.02872	7.1
90.37535	1.7
91.05425	5.2
93.07002	5.5
95.05000	8.2
95.08575	4.1
97.02846	2.0
97.06531	2.3
103.05439	3.9
105.07028	8.6
107.04959	9.2
107.05543	1.5
107.08564	5.6
109.02848	2.6
109.06464	2.9
109.10139	4.0
111.04413	3.0
111.08080	1.8
114.32551	1.6
115.05413	2.1
119.04925	1.9
119.08540	4.5
121.06465	3.8
121.10097	3.9
122.03623	1.8
123.04361	5.9
123.08089	1.9
125.05925	3.7
127.03905	3.1
128.06213	10.1
129.07001	37.8
131.04877	4.2
131.08533	4.1
133.06430	5.6
135.08023	1.8
135.11636	2.1
137.05969	14.7
137.09602	1.9
145.06421	4.8
145.10081	2.9
147.04320	1.9
149.05885	3.9
149.09541	2.2
149.13206	3.1
151.07556	15.3
151.11125	4.0
153.01776	6.2
156.05649	2.7
157.05276	1.9
157.06511	32.1
158.07248	3.3
159.04396	2.0
159.08034	3.8
160.05150	2.2
161.04716	1.7
161.05960	11.1
161.09505	2.0
163.03937	2.1
165.06892	1.7
165.12701	3.4
167.05685	2.6
167.07045	51.9
171.06467	4.3
171.07919	3.3
173.13121	2.6
173.38963	1.6
174.06754	14.7
174.28963	1.8
175.07590	8.7
177.05423	3.1
177.06818	2.4
177.74767	1.8
178.07814	1.9
179.06956	2.4
181.04971	42.7
187.07472	7.0
189.09093	37.2
190.07648	2.6
190.09427	2.1
191.07062	2.3
191.14197	6.8
195.08095	1.9
199.07401	2.0
205.06435	1.8
206.07201	2.2
207.07988	2.4
209.11522	2.0
209.15303	5.0
217.08507	8.5
219.08020	2.5
219.09990	2.7
221.05992	2.5
221.07967	3.7
222.06676	2.1
223.07498	3.5
224.08180	2.2
225.09030	1.8
233.09421	3.7
234.06628	4.3
235.07373	7.5
236.08211	2.4
236.11984	1.7
237.08968	2.0
241.08360	3.1
247.07463	2.2
249.09016	9.6
250.06253	2.2
250.09848	2.9
251.06912	4.0
251.10512	1.8
252.07855	7.9
252.11168	1.8
253.08324	2.3
258.92630	1.8
260.08386	1.8
261.08966	5.1
263.06973	3.7
264.07639	3.3
265.08664	8.5
265.11099	1.6
266.09293	3.6
267.10056	3.5
269.08023	2.2
275.07016	2.5
277.08423	6.4
278.09222	3.4
279.06235	1.9
279.10040	2.8
280.07178	5.8
281.07983	5.2
283.09485	6.0
285.00906	3.9
285.07248	3.3
291.09982	2.1
293.08206	2.8
293.11511	7.4
293.14920	3.2
295.09491	4.7
296.10352	4.6
300.09875	2.0
307.09564	1.9
309.11060	3.7
310.12057	1.8
311.12555	6.0
311.16254	3.9
321.11240	8.4
323.08884	2.7
325.10437	2.1
328.13171	7.9
329.17276	2.3
338.11163	2.0
339.08450	2.3
339.12283	39.5
340.12903	4.0
341.13391	3.0
353.06287	2.7
353.13562	6.7
371.14752	100.0
372.15039	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	371.1487
Annotation	Gliocladinin A
Peak:m/z	Relative Intensity
53.03947	2.7
54.81319	2.2
55.01850	3.2
55.05487	4.3
62.28457	2.3
65.03933	2.8
67.05481	4.4
69.03407	8.1
71.04955	4.4
71.06171	2.1
71.31960	3.9
73.04749	2.8
79.05484	15.1
81.07061	5.8
85.02883	3.6
91.05395	13.0
93.07026	5.9
95.04935	3.6
95.08590	3.8
97.02884	7.0
103.05455	6.5
105.07023	5.9
107.04946	13.5
107.08582	8.7
109.02890	3.0
109.06490	5.1
109.10148	4.9
110.33569	2.2
111.04433	3.6
115.05453	7.3
116.06219	2.5
117.06967	3.5
119.08554	6.3
121.06542	6.0
121.10133	4.6
122.03632	6.9
123.04430	3.0
124.05209	4.0
125.05980	3.6
128.06194	6.5
129.07013	15.2
131.04910	7.7
131.08563	11.3
132.05695	2.9
133.06432	4.7
133.10120	7.3
135.04366	2.7
135.08054	5.2
135.11678	3.8
137.05972	58.0
139.89946	2.4
141.07004	4.8
142.07684	2.6
143.08530	2.9
144.04248	2.2
144.05637	7.7
145.06468	2.9
147.04381	4.2
147.07980	2.8
149.05936	5.0
149.09538	3.3
150.06561	2.1
151.03871	3.8
151.07576	4.8
155.64793	3.1
156.05690	20.1
157.06456	9.7
159.08028	14.0
161.06015	4.7
163.03836	3.5
163.07515	3.4
163.11130	2.6
165.07022	4.5
167.07039	42.3
167.08405	5.0
169.06436	3.6
171.08209	3.1
173.13319	3.5
174.06798	4.4
175.07558	13.0
177.05441	8.5
178.07704	4.6
179.07021	2.9
179.08543	4.5
181.04921	6.8
181.06474	6.0
184.05171	3.5
185.05913	4.2
186.06630	4.4
187.07489	15.8
189.07057	4.1
189.09099	10.0
190.07713	3.5
191.06976	5.1
191.08577	4.6
191.14249	6.0
193.06586	3.5
193.08505	3.3
194.07274	5.9
195.06430	4.3
195.08076	5.1
199.07593	3.2
199.11159	5.2
202.06131	4.2
202.07767	3.7
203.08524	7.0
205.06503	6.5
205.08406	3.1
205.10217	3.2
206.07199	5.5
207.08018	7.9
209.09732	2.7
209.15306	3.4
211.07536	3.2
212.08157	2.6
215.08644	5.8
217.08578	42.5
218.07195	9.7
219.08047	8.9
219.10138	3.4
219.57620	2.3
220.08685	3.9
221.05974	6.4
221.09633	8.6
222.06741	7.4
223.07545	4.5
224.08316	5.2
227.10583	5.5
231.08061	6.6
232.08885	5.5
233.05975	3.3
233.09581	10.5
234.06769	12.2
234.10394	2.5
235.07544	13.6
236.08298	5.2
237.05432	5.0
237.08994	3.6
238.09760	2.9
239.07007	11.2
241.08586	7.9
245.11754	4.8
246.06650	4.0
247.07663	4.5
247.09657	14.4
248.78558	3.0
249.09099	27.8
250.06293	5.8
250.09763	6.9
251.06924	8.8
251.10489	3.1
252.07695	20.6
253.08470	3.6
259.07516	3.4
260.08279	5.0
261.09137	18.5
262.06290	3.7
263.06961	12.6
263.10095	2.8
264.07785	7.3
265.04922	4.6
265.08572	19.3
265.11343	2.9
266.09354	16.0
267.06467	3.4
269.08002	6.0
271.06079	4.2
275.10626	3.6
277.08588	19.0
278.06158	2.2
278.09341	10.3
279.06506	2.7
279.10117	6.5
280.07297	15.4
281.08063	13.3
281.11380	4.7
283.09576	4.2
285.00995	2.8
285.07632	23.8
286.07858	2.5
289.08600	6.7
291.06445	3.0
291.10098	5.3
292.07230	3.4
293.08197	5.2
293.11664	20.3
294.08746	5.1
295.09659	7.2
296.10425	11.9
298.08112	3.7
300.09885	21.1
301.10654	9.3
306.08704	3.7
307.09616	7.8
309.11182	15.2
311.09409	3.0
311.12570	12.6
313.10660	5.4
321.11176	28.0
322.12006	4.3
323.09186	4.0
324.09894	3.5
325.10727	4.4
326.11380	7.9
327.12134	3.2
338.11145	4.3
339.08301	5.2
339.12280	100.0
340.12741	10.8
341.13815	6.8
343.15421	3.3
353.13855	33.0
371.07465	4.1
371.14847	50.7
372.15372	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	370.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46741	3.5
57.03429	4.7
57.34443	4.2
58.68251	3.7
69.03425	17.8
71.04993	48.4
71.56738	6.6
79.05477	6.4
81.03418	6.2
81.07022	5.7
85.02914	8.3
85.06574	4.3
87.04473	6.3
91.05849	20.1
93.07072	5.0
97.02905	6.3
107.05021	4.7
113.05982	4.8
127.03909	4.5
127.07538	8.1
131.07047	52.2
137.05984	11.0
145.08594	100.0
158.32114	3.9
172.13780	4.4
173.07986	4.9
189.81029	3.7
191.09134	22.7
209.04457	13.3
268.97961	3.9
283.03317	4.7
285.00989	7.9
353.61215	4.1
355.06616	4.2
370.15448	8.7
371.13055	20.5
371.17209	5.0
388.35803	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	370.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
62.48408	0.7
67.05521	0.8
69.03432	2.1
70.75293	1.5
70.75653	2.0
71.04993	36.1
81.03417	1.3
85.02896	7.9
85.06541	4.3
86.03230	0.9
87.92575	0.8
91.05820	1.4
93.07090	1.0
97.02898	1.7
100.13165	0.8
102.87531	0.7
107.04974	0.8
113.06001	4.7
123.11712	1.7
124.12072	1.1
127.03944	1.2
127.07558	14.2
131.07040	18.6
137.05995	2.0
141.05597	0.8
145.08598	100.0
146.08931	1.2
146.74513	0.8
158.50668	0.9
167.07091	1.0
173.08083	2.8
180.08734	1.5
191.09149	13.4
209.04597	1.5
237.52745	0.9
301.16620	0.9
350.34372	0.9
353.13846	1.2
371.13049	3.1
371.16815	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	371.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	31.5
57.03401	29.8
62.76562	21.0
63.30187	24.5
69.03436	61.4
70.78018	48.5
70.78369	35.1
73.02943	25.5
73.04726	24.4
78.37054	19.8
81.90276	20.1
84.85346	21.3
85.02911	100.0
91.05807	42.6
97.02875	51.7
98.97604	46.4
117.09991	24.4
127.03905	32.0
133.26123	23.9
153.01836	61.5
164.10696	25.9
177.00604	29.7
185.02956	56.5
191.03915	32.5
197.40404	26.5
203.04030	31.7
237.02771	30.4
299.95621	25.4
311.05988	29.9
317.01404	28.5
317.63306	22.0
318.13846	26.1
337.47702	22.5
368.29907	24.0
371.07376	99.2
371.11777	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52084	3.6
53.03935	4.3
55.05265	4.9
55.05512	54.6
57.03436	10.5
57.07068	12.9
67.05173	5.6
67.05501	65.8
69.07066	51.5
71.08620	8.0
77.89433	3.5
79.05485	31.9
81.07053	100.0
83.08611	28.9
85.10164	6.3
91.05486	20.0
93.07039	33.3
95.04985	6.9
95.08602	83.2
97.06520	10.8
97.10174	22.4
98.21508	10.8
105.07037	23.4
107.04958	50.4
107.08597	30.5
108.05280	9.5
109.10155	42.8
111.08088	9.8
111.11729	7.8
115.61760	3.5
119.08583	23.5
121.10140	36.7
123.08070	5.4
123.11711	16.9
131.08548	4.5
133.10144	27.1
135.11684	24.0
135.76599	3.8
137.13260	11.1
139.11229	4.2
139.45602	4.1
143.08537	5.9
145.10077	5.8
147.11725	18.8
149.13248	7.4
151.11189	4.0
159.11671	6.3
161.13272	13.8
163.14847	11.6
165.16463	4.3
171.11748	4.3
173.13237	4.8
175.14851	12.7
176.82191	3.9
177.16411	8.2
177.72986	4.0
185.13213	4.2
189.16446	7.9
191.17871	8.1
193.19385	5.4
197.06662	10.6
198.06786	15.3
199.06432	5.5
216.07826	8.1
227.17929	5.1
229.15656	6.1
259.24194	32.2
277.25284	33.7
346.15909	4.3
351.28949	18.8
369.24033	9.4
369.28082	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	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.01871	14.7
55.05510	63.5
57.03435	26.4
57.07061	6.2
61.02895	3.3
67.05504	76.5
69.07072	31.5
70.10250	12.0
71.04986	6.6
71.08631	52.1
79.05488	44.0
81.03403	5.4
81.06585	5.2
81.07058	100.0
83.04956	10.5
83.08618	45.8
85.06534	8.2
85.10170	5.4
91.05480	49.2
93.07040	41.7
95.04987	14.1
95.08602	48.2
97.06513	18.8
97.10158	5.3
99.08091	36.7
105.07032	39.1
107.08601	29.9
109.06522	12.5
109.10123	18.4
111.08077	22.9
113.09652	13.8
113.91779	3.1
117.06999	6.3
119.08577	30.5
121.10133	21.6
123.08058	6.9
123.11681	10.0
125.09704	4.4
127.07612	2.8
129.06973	5.8
131.08560	11.4
133.10117	25.9
135.11671	7.4
137.09589	3.7
137.13194	4.1
139.11177	9.6
143.08543	4.6
145.10074	6.9
147.11684	39.3
149.09627	7.6
149.13264	15.7
151.11189	13.5
157.10072	9.0
159.11714	4.9
161.13268	15.8
163.11111	7.0
163.14774	3.2
165.12735	32.6
167.14290	4.8
171.11649	6.6
173.11893	2.9
175.11156	10.2
175.14761	2.9
179.14301	11.8
184.35318	3.1
185.13292	5.2
231.21095	4.6
241.19716	4.6
249.22115	7.8
259.20584	7.7
262.46271	2.9
277.21637	64.2
295.22653	12.8
351.25348	6.7
369.26489	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.9
54.19230	3.3
55.01866	23.7
55.05507	76.4
57.03431	30.8
57.07068	7.0
65.03927	3.5
67.05502	73.0
69.03430	4.1
69.07072	36.6
69.85727	6.4
69.86138	17.7
71.05003	8.0
71.08636	50.6
79.05492	42.8
81.03423	6.3
81.07056	100.0
81.07528	6.0
83.04996	11.4
83.08621	47.4
85.06564	9.5
85.10198	9.1
91.05475	47.5
93.07037	47.4
95.04955	16.0
95.08600	52.3
97.06535	17.2
97.10206	6.2
99.08085	39.0
99.08659	3.3
105.07034	34.2
105.07683	3.9
105.81490	3.5
107.05013	3.6
107.08593	32.7
109.06538	12.0
109.10156	18.5
111.08070	25.8
113.09668	14.3
117.07037	6.6
119.08608	32.0
121.10123	21.0
123.08099	6.7
123.11725	15.4
125.09689	3.8
129.07008	6.0
131.08606	10.5
133.06557	3.8
133.10121	22.3
135.08099	3.5
135.11732	12.1
137.09644	6.8
139.11162	7.8
143.08553	5.1
145.10139	8.7
147.11678	34.8
149.09662	7.4
149.13232	17.3
151.11195	18.5
157.10201	7.2
159.11726	4.6
161.13231	15.2
163.11256	9.4
165.12752	33.5
167.14331	4.9
173.11818	4.1
173.13297	4.2
175.11212	8.5
175.14859	4.9
179.14378	13.1
187.87440	3.5
193.12209	4.3
207.13841	3.3
229.07539	3.7
230.86903	3.3
231.21085	8.9
241.19585	3.5
249.22232	8.2
259.20709	10.5
277.21619	77.8
295.22833	12.8
351.25293	10.4
369.26523	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
53.67831	1.5
55.01874	3.1
55.05512	18.5
55.85965	1.4
57.03442	10.0
57.07080	10.6
64.03699	1.6
67.05177	2.2
67.05507	33.2
69.03418	1.9
69.07075	16.4
71.04977	7.1
79.05497	19.4
81.03412	11.2
81.07058	37.9
83.04987	8.8
83.08626	10.8
85.02903	4.3
85.06535	2.6
85.10181	22.3
91.05471	19.5
93.07053	18.6
95.04971	18.9
95.08601	21.6
97.06519	3.9
97.10146	4.0
99.08096	2.0
105.07040	18.9
107.04946	4.2
107.08588	17.6
109.06511	6.0
109.10162	33.2
113.09644	25.7
117.06938	2.0
119.08570	8.9
121.10142	9.3
123.08056	3.7
123.11708	6.9
125.09624	4.5
129.06953	3.5
131.08572	5.7
133.10146	16.8
141.12749	3.0
143.08568	3.1
145.10146	3.5
147.11717	8.4
149.09625	5.6
149.13242	2.2
151.11142	9.2
161.13249	4.1
163.11246	2.3
165.12746	30.5
169.12244	4.8
171.11664	2.3
179.14249	4.0
185.13237	1.8
189.12764	2.0
207.13786	3.9
216.28998	1.6
235.31328	1.8
259.20547	3.0
277.21628	71.0
278.21933	3.0
294.32172	1.7
295.22681	100.0
296.23056	3.1
369.13242	1.8
369.26813	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	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	5.8
54.35780	4.2
55.01870	6.8
55.05513	26.2
57.03426	20.3
57.07074	21.8
64.60397	3.7
67.05502	42.1
69.03413	5.6
69.07081	26.7
71.04992	9.1
71.58951	7.1
79.05479	28.1
81.03406	14.6
81.07046	64.3
83.04976	12.5
83.08616	13.0
85.02890	6.6
85.06525	7.4
85.10175	40.8
91.05475	32.7
93.07050	36.6
95.04971	15.9
95.08602	32.4
97.06504	5.8
97.10141	9.4
99.04450	7.9
105.07031	37.3
107.04915	5.0
107.08612	24.5
107.92960	4.2
109.06548	8.5
109.10153	47.3
113.09657	38.7
117.06992	6.2
119.08590	22.2
121.10155	16.6
123.08064	6.5
123.11705	11.4
125.09678	6.8
131.08536	13.3
133.10136	27.6
135.11693	8.3
137.09593	4.9
145.10147	7.8
147.11742	10.6
149.09570	12.8
151.11220	8.5
156.78911	4.7
157.09973	6.2
161.13240	11.1
163.11200	8.8
165.12729	39.0
169.12294	5.1
171.11702	4.8
203.08446	4.5
207.13788	5.2
211.47400	4.3
214.30226	4.7
277.21640	80.1
295.22687	100.0
319.09143	4.8
369.27792	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	369.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48056	1.7
52.71687	1.6
53.03941	4.0
55.01854	3.8
55.05495	1.8
57.03425	6.1
59.04992	1.6
61.02927	10.7
67.05499	3.9
69.03429	33.9
69.07055	6.6
70.13543	1.7
71.04990	4.4
71.15396	3.5
73.02918	3.2
79.05492	6.6
81.03433	12.1
81.07069	9.0
83.04989	6.0
85.02905	53.6
87.04475	6.0
89.06501	1.5
91.03959	3.6
91.05464	12.5
93.07045	21.9
93.99538	1.5
95.04955	4.0
95.08620	8.1
97.02894	20.6
97.06479	2.2
99.04458	6.0
103.05424	2.1
103.41883	1.5
104.92799	1.4
105.07029	17.0
107.08614	5.2
109.02870	7.5
109.06515	6.2
109.10180	3.0
111.08080	3.5
117.07045	4.0
119.04944	2.1
119.08576	13.4
121.06535	3.7
121.10151	4.3
123.08076	7.1
127.03907	15.9
128.06239	1.8
131.04942	1.8
131.08563	4.5
133.02762	1.7
133.06509	2.6
133.10107	8.9
135.08058	2.5
135.11627	2.1
137.05963	10.0
137.09621	2.1
143.08524	2.9
145.04951	8.6
145.10164	2.7
147.08081	4.8
147.11697	4.3
149.09642	2.3
151.07568	3.4
156.09331	2.0
159.08131	2.0
159.11760	4.6
161.09630	5.2
161.13231	17.1
162.06804	2.1
165.06978	2.1
167.07010	2.2
168.05750	1.9
171.10191	1.6
171.11742	4.4
175.03934	2.8
179.08563	1.6
179.10583	1.9
179.14386	4.1
180.05704	4.3
182.07269	2.0
189.07071	2.0
189.09108	2.3
189.12735	33.0
190.07831	1.9
190.13213	1.9
191.08533	2.6
191.14348	3.3
192.07892	1.9
193.04993	1.9
197.06004	2.8
202.07629	2.4
203.08601	2.6
205.06580	2.8
206.07318	2.8
207.06548	6.5
207.13797	100.0
208.05197	30.3
208.14156	2.0
209.05884	1.8
210.06848	3.0
211.03908	3.7
211.07570	3.3
218.07300	6.0
219.08159	10.5
220.08777	2.3
221.05972	3.0
221.09525	2.0
223.07565	3.4
224.04852	2.9
224.08414	3.6
225.05409	3.4
225.09142	2.3
227.07024	3.0
230.07263	2.7
231.08113	5.3
233.06046	4.2
233.09854	2.3
234.06818	5.9
235.03909	2.3
235.07628	5.7
236.04707	7.5
236.08412	2.4
237.05469	2.1
237.09128	2.8
239.07010	8.6
240.04094	4.9
241.08591	3.0
243.06679	3.0
246.06744	2.3
247.07565	18.8
248.06062	1.6
248.08160	9.2
249.05420	2.2
249.09116	5.8
250.06354	3.8
251.07094	3.4
252.04253	3.4
252.07805	3.7
253.04915	2.1
254.05794	8.5
255.06645	3.7
256.03717	2.2
257.04474	4.9
257.08228	2.1
258.06796	2.3
259.07718	2.6
261.09119	2.7
262.09805	2.3
263.03525	3.1
263.07138	9.4
263.10678	3.8
264.04144	3.9
264.07751	2.1
265.08698	7.2
266.09503	2.0
267.06537	3.0
268.03732	2.4
269.08148	17.4
271.05945	4.7
272.06760	2.8
275.07010	9.7
276.07910	4.9
277.08597	14.3
278.09286	3.3
279.06589	5.4
279.10165	7.6
280.07364	5.5
281.04575	2.7
281.11877	5.7
282.05301	4.5
285.07651	12.6
285.10965	2.9
287.09317	3.7
290.09354	9.3
291.02985	2.8
291.06784	3.7
291.09970	10.3
292.07367	5.0
292.10590	2.2
293.08081	7.8
294.08762	3.3
295.06149	6.8
295.09760	5.8
298.08014	1.8
300.06689	2.5
300.09866	8.2
301.10333	1.9
304.07123	3.0
305.08054	8.1
306.08948	4.7
307.09647	11.4
308.10364	4.4
309.04086	1.8
309.07614	6.6
309.11221	9.2
311.09143	2.0
313.10703	9.5
315.08621	69.3
316.09146	3.9
318.09033	6.4
319.02451	2.1
319.09723	7.3
320.10629	4.7
321.07800	3.4
321.11221	7.0
322.08405	2.5
323.05640	2.3
323.09201	16.3
323.12784	5.4
324.09827	11.8
325.10834	4.3
336.09952	7.6
337.03528	4.1
337.10684	12.1
338.11505	14.8
339.12201	11.1
341.13757	2.4
351.12222	21.9
354.10977	4.9
369.06116	52.4
369.13446	35.3
369.19064	9.1
370.06299	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1906
Annotation	Cedronolactone A
Peak:m/z	Relative Intensity
53.03935	3.8
53.40625	1.6
57.03433	1.6
62.36424	2.1
69.03429	18.6
69.98292	6.2
71.04993	5.9
79.05505	2.9
81.03413	6.2
81.07044	13.2
85.02905	100.0
91.05485	3.6
91.21838	2.0
95.04972	2.8
95.08598	3.3
97.02885	9.3
99.04455	4.3
105.07040	8.4
107.08613	2.1
109.02856	3.6
109.06541	2.4
109.10149	6.0
111.04495	2.7
119.08571	9.3
121.10233	2.8
123.11712	76.4
125.05988	10.3
127.03904	8.3
133.06465	3.6
139.07550	6.5
145.08609	9.0
145.10129	6.4
147.08032	2.9
147.11662	9.1
149.09637	5.5
151.07562	5.5
156.09286	2.9
159.08022	2.3
163.59839	2.2
170.87558	2.0
171.11633	4.1
183.51787	2.0
189.12740	25.6
191.09129	1.8
207.13770	29.1
225.14891	2.8
244.43240	1.8
333.16989	13.8
351.18054	12.0
369.15189	5.5
369.19382	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	3.1
69.51194	16.9
69.51612	4.9
79.05494	2.7
81.03409	3.3
85.02882	4.6
91.05491	4.9
95.04948	3.7
95.08653	3.7
105.07055	13.0
107.08570	5.2
116.40642	2.4
117.07014	2.9
119.08578	8.6
121.06528	2.1
123.08058	5.7
131.04956	2.6
133.06477	4.3
133.10124	3.9
143.08563	5.8
147.08034	3.2
147.11708	6.9
149.09628	31.8
161.13280	5.5
161.57202	2.4
171.11697	7.5
189.12741	22.7
191.14359	2.9
207.13794	100.0
213.79762	2.7
281.15369	2.6
313.07053	3.5
315.92841	2.6
337.10822	3.0
341.06522	6.7
369.05914	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	369.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.9
57.03420	4.8
57.30878	1.7
58.16304	1.5
61.02921	4.5
66.06320	1.5
69.03427	13.1
69.07061	2.4
70.91212	4.5
71.04984	3.8
73.02922	2.1
77.69456	1.3
79.05489	4.3
81.03408	5.9
81.07043	3.5
83.04972	5.2
85.02903	41.2
91.03933	2.1
91.05471	5.2
93.07053	3.3
95.08566	2.5
97.02892	12.7
101.50498	1.4
105.07027	12.6
107.04955	2.3
107.08600	8.0
109.02879	2.7
109.06509	2.3
114.21944	1.6
117.07015	2.3
119.08579	7.1
121.06516	5.8
121.10143	4.4
127.03889	7.5
129.07005	1.9
131.08571	6.2
133.06535	2.2
133.10124	3.7
135.08060	3.6
143.08569	3.2
145.04944	8.3
145.10106	13.4
147.08061	5.0
147.11650	5.4
153.01830	4.2
156.09329	2.1
158.10809	1.7
160.08836	5.4
161.09602	6.2
161.13293	2.6
163.11179	41.5
171.11720	7.0
173.13303	3.7
184.75061	1.6
189.12726	17.2
191.14297	63.5
192.14624	3.8
192.89041	1.7
207.13797	100.0
208.13916	1.9
273.03897	6.2
325.32309	1.7
369.18903	2.0
377.01834	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80603	2.8
53.03942	5.9
55.01868	5.5
55.05507	3.6
57.03438	4.8
60.69870	2.7
67.05498	7.2
67.46092	2.7
69.03428	20.7
70.22508	10.8
71.04999	5.9
73.02924	3.1
79.05499	5.6
79.41219	2.2
81.03416	8.5
81.07056	16.1
83.04993	7.3
85.02903	100.0
91.05467	13.7
93.07040	6.1
95.04974	10.2
95.08618	4.6
97.02901	8.2
97.06583	3.5
99.04442	4.7
105.07011	13.5
107.04968	4.2
107.08588	5.6
109.02866	7.5
109.06522	7.4
109.10163	9.4
110.17094	2.3
117.07035	2.8
119.04910	4.0
119.08590	15.2
121.06509	3.0
121.10150	10.7
123.04509	3.8
123.08116	3.9
123.11700	54.8
125.06009	10.4
127.03940	9.9
133.06502	3.1
133.10153	9.5
135.08063	3.7
137.05974	4.1
137.09647	4.3
139.07521	4.3
145.04901	4.3
145.10144	9.0
147.04391	3.5
147.08040	6.0
147.11702	15.7
149.05928	3.7
149.09647	13.5
151.07594	4.4
151.11179	25.2
156.09378	4.5
161.09631	6.1
163.11223	6.7
171.11736	5.0
174.10423	7.0
175.03918	5.5
175.11174	3.3
177.05464	3.1
179.10713	8.3
189.12721	36.6
191.14276	13.5
195.11221	3.1
205.08752	2.6
205.12239	3.7
207.06572	9.5
207.13791	42.9
333.17065	7.9
351.18069	4.2
369.14951	13.1
369.19025	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	369.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57805	4.5
63.51107	4.9
71.32648	7.4
71.32977	7.4
86.36160	5.8
86.93305	5.0
89.03896	10.2
105.06997	9.8
117.03371	28.9
145.02832	53.7
147.11624	6.3
149.05994	12.0
159.99458	5.5
177.05464	100.0
207.13893	5.9
228.32306	5.1
325.10089	5.1
369.15305	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	369.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	3.2
56.96558	2.1
63.63465	1.7
65.03944	4.1
67.05515	1.8
69.03424	2.4
70.06590	2.3
83.04974	9.5
85.02878	3.8
89.03918	9.1
91.05492	2.4
93.03438	3.1
95.04964	7.4
95.49137	1.9
97.02892	3.3
111.04425	8.5
112.07589	2.6
117.03391	24.7
125.05986	1.7
134.03641	2.0
135.04471	2.2
137.05981	9.2
137.91376	1.7
145.02853	48.5
147.02669	1.6
149.05978	6.6
153.01746	2.9
153.05473	7.1
167.03386	1.7
170.72630	1.9
177.05464	100.0
178.04933	5.0
179.05328	5.8
183.26437	1.9
206.04480	6.5
207.02989	2.8
207.04831	8.5
221.00900	1.7
253.63049	2.1
349.07864	1.7
369.11511	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	369.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58458	2.1
55.05498	3.7
55.56816	2.1
59.05001	2.1
67.05507	3.4
69.03426	6.5
71.05001	4.1
71.57846	2.9
71.79522	2.3
79.05483	3.2
81.03408	5.0
81.07064	4.8
83.04990	3.9
85.02917	7.4
91.05467	7.9
93.07046	5.3
95.04969	2.5
97.02873	3.0
97.06539	2.4
102.50639	2.3
105.07021	14.0
107.08573	4.8
109.10178	5.3
117.07029	3.1
119.04942	4.6
119.08573	7.7
121.06507	3.2
121.10178	4.0
123.08090	4.6
131.08536	3.0
133.06523	5.0
133.10117	9.0
137.02382	4.3
137.05991	6.0
143.08560	4.9
145.10133	4.7
147.08067	6.9
147.11694	4.4
149.09596	38.7
149.10741	3.2
156.09375	3.2
161.09683	3.0
161.13248	6.6
171.11700	5.6
189.12712	24.0
207.06459	2.8
207.13792	100.0
208.14215	2.8
281.15332	3.8
341.06555	10.5
345.04736	3.1
369.05994	8.8
369.14694	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
61.94891	0.8
65.03930	1.3
67.05522	0.9
68.71501	0.8
69.03447	0.9
71.07104	0.8
71.15201	1.0
71.15526	1.7
77.61285	0.8
83.04956	1.2
85.02927	0.8
87.79492	0.8
88.22131	0.7
95.05004	1.2
111.04445	2.8
121.02842	1.9
123.04381	1.6
127.03971	0.9
133.02806	0.9
137.02333	1.9
139.03882	2.5
149.02327	1.9
150.03145	1.6
153.01888	2.1
157.05003	0.7
167.03424	1.7
167.07181	1.1
177.01833	4.4
177.05435	1.5
179.35381	0.9
185.04254	6.2
195.02892	3.5
206.05469	5.8
207.06297	12.9
207.08109	1.1
231.06779	0.8
234.98962	0.8
237.02832	0.8
326.83627	0.8
335.62317	1.0
369.11584	100.0
370.11948	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	368.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
57.03434	0.8
61.02913	0.7
64.60452	0.4
69.03431	1.8
71.48814	0.7
71.49160	0.8
81.03407	1.6
85.02908	5.8
97.02920	1.6
109.02853	0.7
109.80453	0.4
112.11563	0.4
125.24820	0.4
125.71574	0.5
127.03912	1.1
129.46689	0.4
132.04442	11.6
133.28772	0.4
133.79842	0.4
145.04968	1.3
150.82109	0.5
156.91731	0.4
160.03915	0.6
178.04987	79.3
179.05354	2.7
202.40652	0.5
206.04478	100.0
207.04825	2.9
329.88748	0.4
338.92130	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09675	0.5
52.91199	0.5
54.86141	0.5
55.01838	0.6
57.03438	0.8
61.02893	0.8
69.03427	2.8
71.57112	0.6
71.57499	0.7
80.43071	0.5
81.03387	1.6
85.02906	8.5
87.04459	1.0
93.32982	0.6
97.02876	2.6
99.04464	0.6
127.03916	1.3
132.04456	9.1
145.04961	1.3
163.03934	1.1
178.04991	66.3
179.05318	1.4
206.04483	100.0
207.04778	2.6
369.11548	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07159	2.8
55.03637	2.8
56.96567	7.8
58.99844	3.5
71.48791	7.9
72.84187	2.9
74.97570	3.1
77.00900	11.4
81.03384	3.2
84.79336	3.2
85.02916	7.4
92.91319	3.0
97.02873	5.2
98.97598	21.4
101.00866	23.2
113.00845	4.7
116.84348	2.9
116.98602	13.4
119.01920	100.0
120.02037	4.0
121.01633	6.8
121.98640	2.9
127.02485	3.7
127.03945	3.5
128.98587	9.0
131.01912	22.0
133.03496	4.2
134.99695	5.6
137.02994	17.6
139.02368	4.5
143.00031	3.9
143.01891	30.8
145.03447	45.9
146.03513	4.1
146.99663	7.8
147.03133	5.0
149.02977	6.2
151.02838	3.5
153.02394	4.2
155.01903	8.0
157.03471	29.8
158.99734	7.3
159.01352	6.3
159.94119	3.4
161.01646	5.3
161.02945	46.2
163.04591	8.0
169.03429	4.1
171.01414	6.0
173.01315	3.4
173.02959	18.1
175.02725	10.9
175.04504	9.9
177.00735	19.0
177.02448	30.9
183.05177	4.6
185.02922	15.8
189.00729	10.9
189.02444	42.2
195.03494	6.0
201.02443	14.0
203.04013	21.5
207.01740	9.0
207.03494	28.0
207.05302	6.4
219.01752	21.4
219.03584	6.4
221.05070	55.7
225.04523	11.1
231.03543	11.5
237.02718	15.0
239.06117	81.7
241.67647	3.6
243.03485	4.5
249.04610	75.5
250.04663	5.4
252.91827	11.7
255.03793	12.6
257.07141	5.6
261.04453	18.1
263.06100	68.5
267.05667	13.2
269.03525	7.9
279.05927	19.3
281.03781	6.4
281.07172	46.7
291.05646	25.9
303.05673	21.9
309.06421	24.4
321.06650	15.3
327.03845	5.4
327.07617	39.5
333.05072	5.9
351.07718	29.4
352.07761	3.3
369.08725	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	367.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.7
55.05507	30.6
57.07075	7.4
65.03921	6.9
67.05505	47.3
69.03406	6.9
69.07074	21.4
69.84202	18.8
69.84609	9.9
79.05487	38.9
81.07045	51.6
83.08599	16.5
85.06499	4.6
91.05467	58.7
92.04459	4.0
93.07031	71.2
95.04974	38.9
95.08601	64.9
97.06507	15.7
98.20807	7.2
103.05444	4.7
105.07027	85.3
107.04996	4.9
107.08593	56.6
109.06491	18.5
109.10143	34.3
111.08048	5.4
115.05471	4.9
116.06229	6.7
117.06982	21.1
119.08576	100.0
121.06499	7.1
121.10131	49.1
123.08041	5.2
123.11691	16.1
128.06242	6.4
129.06985	17.1
130.07767	8.6
131.08566	43.2
133.10129	59.5
135.07997	23.3
135.11678	19.4
141.06940	6.9
142.07774	20.2
143.08534	39.3
144.09319	12.4
145.10110	62.6
146.07260	4.8
147.08034	6.8
147.11664	23.7
149.09616	9.5
149.13234	6.0
155.08545	14.3
156.09410	9.2
157.10138	53.4
158.10854	7.7
159.08002	6.3
159.11678	33.3
160.12425	4.9
161.09589	34.5
161.13226	12.5
163.11107	6.2
167.08513	6.9
168.09377	5.5
169.10129	19.8
170.10881	9.8
171.11682	25.8
173.13266	24.0
175.11156	6.4
175.14830	17.8
177.12682	5.1
179.08551	13.3
181.10081	7.0
182.10881	6.6
183.11682	17.4
185.13200	14.4
187.14795	17.4
189.16351	5.4
193.10008	5.1
194.10895	6.9
195.11682	13.9
197.13245	19.4
199.11314	5.7
199.14835	12.0
201.12747	5.1
201.16270	7.0
209.13185	24.3
211.14789	9.4
213.12660	5.6
213.16415	5.4
215.14285	5.3
227.14252	10.4
229.15717	4.7
269.94888	4.9
349.25314	11.2
367.26184	26.7
367.30087	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	367.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.9
55.05516	2.4
56.96563	10.5
65.10871	1.3
67.05495	5.5
69.07057	3.0
71.04975	1.3
79.05500	5.6
81.03415	1.7
81.07056	10.3
83.05010	1.4
83.08618	2.2
84.08150	1.6
91.05476	5.3
93.07062	6.5
95.04979	2.4
95.08598	5.5
97.06532	2.5
97.10217	1.6
105.07024	4.2
107.04961	2.4
107.08592	2.7
109.06538	1.8
109.10157	3.2
113.83813	1.1
117.06998	1.9
119.08547	3.4
121.06535	1.3
121.10150	4.2
125.09591	1.5
125.89754	1.2
129.06956	2.0
131.08586	2.7
133.10133	4.2
143.08603	1.4
149.09644	1.6
159.11687	1.9
169.10126	1.8
171.03267	1.8
173.04826	2.4
183.11853	1.1
219.08968	1.4
237.07980	1.8
255.09021	18.4
255.13681	1.2
273.10043	19.6
275.20084	5.2
278.10468	2.8
349.16946	3.6
349.21399	2.1
367.18689	8.8
367.23102	4.8
367.28183	100.0
368.28653	2.7
385.19086	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	367.2473
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
53.03938	5.3
54.33348	4.0
55.01868	37.2
55.05506	75.8
56.96576	4.4
57.03428	30.4
57.07052	4.9
60.95820	4.4
65.03938	7.5
67.05507	96.4
69.03425	7.4
69.07069	50.2
71.04978	19.4
76.12015	4.9
79.05064	7.3
79.05491	81.8
81.03409	13.0
81.07044	100.0
83.04981	54.3
83.08614	53.0
85.02886	16.4
85.06535	7.6
91.05478	55.4
93.07042	88.9
95.04967	95.4
95.08599	54.0
97.06512	19.3
97.10161	28.5
98.20805	12.0
99.04449	26.0
99.08139	5.7
105.07018	58.2
107.04935	17.3
107.08593	91.9
109.06510	17.0
109.10138	39.9
111.04417	65.7
111.08062	19.6
117.07001	19.5
119.08582	38.7
121.06494	13.0
121.10150	41.4
123.08085	11.6
123.11714	8.0
125.09641	27.6
126.02548	4.9
129.06975	6.4
131.08572	34.8
133.10139	30.7
135.08041	10.1
135.11667	24.4
139.11183	12.2
141.06908	4.6
143.08521	10.6
145.06503	6.5
145.10118	47.2
147.08031	6.4
147.11650	20.4
149.09619	57.3
151.11259	7.3
153.09175	5.2
153.12743	7.8
155.08568	6.0
157.10147	9.3
159.11717	23.7
159.12849	4.4
161.07681	5.0
161.13216	7.1
163.11205	50.4
165.12813	5.4
167.10651	5.9
169.10126	6.6
171.11652	12.3
173.13190	8.8
175.11185	7.6
177.00720	4.9
177.12646	7.4
179.14264	4.5
181.12213	6.1
185.13193	5.6
187.11163	8.6
189.11182	11.8
197.13171	12.2
201.16266	5.0
205.12192	9.9
223.13266	62.7
239.17955	7.8
257.18961	14.4
275.20068	90.1
290.87112	5.1
293.21075	34.2
349.21338	8.2
367.25189	24.7
367.29849	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	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.3
54.13761	2.4
55.01860	6.8
55.05513	26.6
57.03438	14.3
57.07067	3.7
67.05505	48.8
69.03413	2.8
69.07059	35.5
71.04984	5.2
71.58130	2.9
74.09712	2.5
79.05492	44.7
81.03394	6.0
81.07052	100.0
81.07528	5.5
83.04952	5.1
83.08599	15.2
91.05477	32.9
93.07037	34.5
95.04961	12.6
95.08598	32.4
97.06525	14.6
97.10140	5.5
97.23007	2.7
98.07018	2.8
99.08085	4.5
99.38399	2.2
105.07017	34.9
107.04944	11.7
107.08578	23.5
109.06509	19.8
109.10159	11.9
111.08092	3.8
117.07006	7.6
119.08577	24.2
121.06450	3.8
121.10175	14.0
123.08044	7.2
123.11671	14.2
125.09599	2.9
129.06999	5.0
131.08554	16.4
133.10123	18.8
135.08072	4.2
135.11682	10.5
137.09610	2.9
138.27962	2.5
143.08537	4.5
145.06453	3.2
145.10109	12.9
147.11696	21.7
149.09630	9.2
149.13234	7.0
151.11224	5.6
157.10141	7.2
159.11673	9.5
161.09621	3.2
161.13222	4.1
163.11159	8.9
165.12759	7.1
171.11661	2.6
173.13268	2.8
177.12683	3.2
183.11662	3.3
191.07001	3.6
193.12283	2.9
197.13171	3.6
201.61314	2.7
218.91809	2.6
229.19360	3.2
233.18886	3.0
247.20534	6.0
257.18988	7.0
275.20068	35.4
293.21243	5.2
349.23727	8.8
358.95743	2.7
367.15378	11.2
367.25183	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	10.6
53.34966	3.5
55.01866	25.9
55.05260	6.0
55.05509	63.4
56.96560	7.0
57.03448	23.7
57.07053	11.7
59.05006	3.7
59.71086	3.4
61.02902	5.4
65.03937	7.3
67.05503	100.0
69.03419	16.4
69.07063	45.2
70.16000	19.2
71.04979	12.1
71.08630	10.6
79.05063	6.0
79.05490	81.1
81.03402	14.8
81.07057	86.4
83.04979	43.4
83.08614	42.6
85.02879	17.1
85.06509	6.1
91.05476	59.8
93.07044	74.3
94.35822	3.7
95.04967	80.5
95.08611	54.8
97.02880	5.1
97.06506	20.7
97.10165	20.5
98.21526	4.1
99.04456	19.8
99.08102	7.4
105.07024	45.5
107.04944	15.8
107.08595	53.5
109.06535	19.3
109.10156	24.1
111.04434	44.0
111.08062	14.0
113.05983	5.0
115.05462	4.2
117.07012	17.4
119.04894	4.5
119.08575	37.2
121.06493	12.1
121.10144	47.5
123.08045	11.3
123.11651	6.3
125.09615	19.4
129.07004	17.3
131.08563	25.9
133.06497	3.8
133.10132	25.4
135.08047	11.0
135.11671	18.3
137.09586	4.5
139.11099	4.9
143.08559	9.1
145.06517	8.7
145.10123	32.3
147.08057	8.6
147.11658	15.5
149.09631	30.7
151.11238	5.7
153.09143	5.2
153.12781	10.6
155.08588	6.8
157.06441	5.7
157.10136	9.8
159.08017	5.4
159.11678	18.9
161.05991	4.5
161.09567	5.6
161.13231	7.8
163.11183	32.9
163.88937	3.7
165.12694	9.2
171.11673	7.8
173.13258	8.7
177.12671	9.1
181.12199	5.0
183.11681	4.2
187.11127	4.2
187.14920	5.8
189.11169	12.1
191.10733	6.2
195.17555	4.0
205.12256	7.2
211.13345	6.6
223.13290	47.3
255.13614	4.1
257.19073	9.5
264.07883	6.3
275.20053	63.5
285.10114	7.0
293.21033	26.3
295.99286	3.9
303.10638	3.9
335.09238	4.7
349.21121	4.6
367.04459	4.9
367.11649	9.9
367.24689	36.9
379.08844	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	367.2478
Annotation	Annosquamosin F
Peak:m/z	Relative Intensity
53.03935	2.2
53.35200	1.0
55.01856	4.4
55.05513	15.2
57.03422	4.3
57.07059	1.6
59.68289	1.0
62.53571	1.0
67.05177	1.9
67.05505	27.8
69.03432	1.7
69.07066	14.5
70.20058	2.2
70.20454	2.7
71.04978	3.1
77.50410	1.2
79.05058	1.9
79.05489	21.5
81.03374	1.2
81.07053	29.1
83.04972	6.5
83.08622	5.4
85.06552	2.1
91.05476	26.8
93.07043	31.9
95.04968	7.5
95.08607	15.0
97.06525	4.7
97.10190	2.0
103.05401	1.3
105.07028	32.8
107.04953	7.8
107.08583	17.7
109.06526	9.8
109.10150	9.0
111.08059	2.6
117.07025	8.6
119.08578	17.3
121.06511	12.1
121.10137	11.6
123.08074	6.5
123.11675	2.1
129.06995	3.4
131.08563	19.9
133.06497	4.1
133.10143	19.3
135.08052	4.2
135.11697	3.1
137.09604	2.6
141.06934	1.9
143.08528	3.7
145.06531	2.6
145.10117	12.7
147.08063	3.6
147.11678	13.1
149.09630	7.8
149.13210	3.0
151.11156	4.9
155.08565	3.0
157.10123	4.0
159.08084	2.4
159.11711	10.8
161.09598	2.9
161.13251	4.0
163.11154	7.4
163.14719	1.2
165.12715	1.2
169.10138	2.2
171.11732	3.8
173.09613	2.5
173.13284	6.0
175.11156	4.5
177.12694	2.5
183.11699	3.1
185.13170	1.5
187.11203	3.0
189.12880	1.6
191.14294	2.7
197.13269	2.9
199.14841	2.1
201.12721	4.1
201.16541	1.3
203.14281	1.1
205.12016	1.2
207.13766	2.8
213.16324	1.5
215.14317	1.6
215.17999	1.7
219.13809	2.0
229.19478	3.5
233.15381	1.5
239.17944	4.5
247.20583	4.6
257.19016	14.7
275.20050	100.0
276.20380	5.8
293.17972	1.6
293.20975	7.4
349.23703	26.7
365.90454	1.2
367.24982	17.2
367.29654	2.3
383.13879	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
56.96578	0.5
57.03432	0.6
69.03414	1.6
69.07068	0.6
71.57420	0.6
79.05486	0.7
81.03448	0.6
81.07066	0.7
85.02907	0.7
91.05444	1.2
93.07059	0.6
95.04949	0.6
97.02869	0.9
103.05450	0.5
105.07040	0.8
109.02847	0.6
117.07005	0.5
137.05943	0.6
145.06438	0.6
147.08139	0.5
147.09137	0.9
151.03911	0.7
152.24147	0.4
152.89404	0.4
153.01860	0.8
165.01909	0.4
167.07011	0.7
191.06642	0.4
205.08516	1.6
281.14816	0.7
337.12482	5.8
367.13644	100.0
368.13965	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10862	2.8
54.42575	2.9
55.01862	2.9
55.60481	2.5
55.68164	2.6
67.05490	7.4
69.03415	7.8
69.07049	3.9
71.05000	4.5
71.57397	4.1
79.05511	6.6
81.03407	6.7
81.07045	11.2
83.55805	2.5
95.04974	2.8
107.08640	5.4
109.02861	3.5
110.12698	2.6
123.11720	2.9
142.64696	2.8
145.03067	2.5
151.11197	4.9
157.12315	3.0
169.12296	3.6
187.13287	11.0
187.14810	3.0
188.06943	3.0
205.08495	3.1
335.10880	2.8
337.12674	6.4
340.04764	3.1
367.13663	100.0
368.13937	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	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24998	2.5
51.89894	2.3
53.03941	8.9
55.01877	25.7
55.05508	48.4
56.96542	4.5
57.03443	21.7
57.07066	8.3
59.05016	3.3
60.85854	2.1
65.03925	3.0
67.05501	89.6
69.03419	9.4
69.07068	35.6
71.04975	9.1
71.08635	12.5
71.57854	2.8
73.78588	2.2
77.03918	2.9
79.05489	67.4
81.03417	14.3
81.07050	100.0
81.07527	5.9
83.04983	22.9
83.08628	28.5
85.02890	5.8
85.06534	7.4
91.05470	42.9
93.07035	51.1
95.04961	47.0
95.08599	49.4
95.09171	4.1
97.02880	4.9
97.06524	19.6
97.10161	21.3
99.04424	3.7
99.08097	13.9
104.99850	2.5
105.07015	35.5
107.04944	29.5
107.08587	38.4
109.02845	2.9
109.06483	13.0
109.10151	26.2
111.04438	13.2
111.08082	13.3
113.06043	3.3
117.07002	15.9
119.04847	2.5
119.08582	26.5
121.06510	17.8
121.10138	22.0
123.08054	8.0
123.11713	9.2
125.09624	24.0
129.07010	9.7
131.08569	17.8
133.10123	17.4
135.08040	9.8
135.11691	13.4
137.09619	7.1
139.11063	4.7
141.07011	4.2
143.08554	6.0
145.06451	5.5
145.10092	21.6
147.08070	6.0
147.11656	19.8
149.09586	20.9
149.13211	6.3
151.11177	6.1
151.77937	3.3
153.09111	4.9
153.12695	4.5
155.08548	3.3
157.10132	6.4
159.07971	3.2
159.11685	11.8
161.09613	4.0
161.13240	4.7
163.11185	23.4
165.12723	19.9
167.10721	2.4
169.10100	5.6
171.10269	2.6
171.11676	5.6
173.09703	3.8
173.11761	5.0
173.13295	7.5
175.11108	3.8
177.12772	10.4
185.13283	3.7
187.11166	3.5
187.14812	4.1
189.11209	14.2
189.12753	3.8
191.14307	7.2
195.13791	4.9
197.13268	5.6
199.11215	3.3
205.12285	2.6
213.09224	2.6
213.16539	4.0
215.14230	2.6
223.13295	7.0
227.12701	6.7
229.19455	5.2
243.08766	3.4
247.20564	10.6
257.19006	8.2
265.21622	5.5
275.20041	91.7
285.10165	5.2
287.11609	3.2
293.21097	48.7
294.21356	2.8
313.55621	2.9
333.89682	2.5
349.23642	9.1
367.11618	4.3
367.25192	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1363
Annotation	(+)-Trehazolin
Peak:m/z	Relative Intensity
55.89559	0.5
60.77674	0.5
66.92940	0.5
67.19888	0.5
69.03424	1.0
70.96921	1.5
91.05470	1.4
109.02846	0.7
137.05965	0.6
153.01833	0.6
159.08040	0.9
203.05336	0.7
205.08406	1.7
306.99384	0.5
337.12561	6.0
367.13644	100.0
368.14023	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	367.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21898	3.2
53.03941	3.3
55.01859	4.9
56.96298	6.1
56.96567	95.1
57.03423	12.8
59.05003	4.1
60.04516	2.8
61.02921	10.7
65.73786	2.7
67.05506	5.0
67.96729	2.8
69.03431	29.2
69.07047	3.0
70.06590	15.6
70.53053	10.8
71.04980	3.0
71.95242	3.3
72.05247	2.7
73.02913	8.5
79.01849	2.8
79.05454	3.2
81.03418	13.8
83.04971	7.1
84.04515	4.4
84.08180	2.8
84.96043	9.4
85.02905	45.1
86.09722	3.6
87.04477	9.9
88.99114	3.7
90.94839	2.9
91.03960	2.9
95.29900	2.6
97.02890	29.7
98.97591	54.7
99.04447	3.9
100.99154	17.4
101.02399	3.0
107.00234	3.2
109.02892	6.9
110.97594	11.7
111.04453	4.9
112.99128	4.8
114.05534	3.1
115.64203	2.8
116.98619	54.0
119.00207	11.5
119.01923	9.3
121.01653	6.1
122.07171	4.1
125.60921	2.7
126.02574	3.4
127.03918	12.2
127.08656	4.1
128.98604	23.3
131.00148	9.4
131.01895	5.6
133.01695	6.6
133.03461	6.1
134.99669	34.0
135.03204	4.2
139.02766	2.9
143.00204	6.5
145.01738	8.5
145.03435	3.4
145.04950	7.5
146.99635	39.9
149.01230	13.1
151.06346	3.6
153.00706	5.2
153.01816	20.1
155.08206	3.3
157.03459	4.8
158.99651	10.7
159.03290	3.8
161.01244	15.1
161.02824	5.5
162.99174	6.7
163.02763	48.2
163.03917	3.6
165.00734	12.5
170.05193	4.9
170.99612	9.0
173.02966	7.6
175.02789	7.2
175.04480	6.4
176.03305	3.4
177.00743	24.0
177.04253	4.6
179.02185	8.2
181.03876	28.7
182.06300	5.5
183.01836	3.4
184.05023	3.2
185.02934	4.0
187.02759	7.9
187.04402	3.3
189.00665	15.9
189.04372	3.3
191.02208	6.2
193.00224	5.5
193.03773	4.8
195.01845	4.9
196.04895	7.1
199.04486	3.6
200.02522	3.7
200.04333	3.3
201.00752	6.9
203.02217	4.2
205.00072	5.0
205.02086	4.1
205.03746	16.4
205.05574	6.5
205.07474	5.9
211.00978	8.1
217.03935	5.0
217.07559	4.0
219.01682	26.7
219.05232	4.6
223.04869	9.0
228.06871	3.8
229.01901	5.4
237.02823	100.0
238.03177	3.7
244.99693	5.1
247.01204	3.1
247.04852	7.1
249.02721	3.7
251.04503	3.9
255.03880	13.2
263.00714	5.1
269.05469	5.9
277.03094	4.1
279.03870	3.7
279.09442	4.0
288.90118	3.1
295.06958	12.9
303.01639	3.7
307.07028	68.2
307.10736	19.7
325.08041	63.9
325.11630	5.7
339.09509	4.9
349.04184	3.4
367.08868	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	367.0208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03700	0.2
56.96565	0.3
61.74847	0.2
62.78962	0.2
71.56769	0.2
98.97552	0.3
101.00855	0.5
112.80299	0.2
116.98605	0.5
119.01920	7.4
120.02031	0.2
134.99739	0.8
137.02950	5.5
140.98831	0.2
153.00864	0.6
158.99896	0.7
165.99667	0.2
177.00948	21.8
178.01106	0.7
182.99866	0.5
193.04091	0.5
193.90216	0.2
195.02049	0.9
200.02554	0.6
201.00964	0.7
217.04068	2.6
218.03816	0.3
219.02005	25.9
220.02121	1.3
221.01897	0.4
225.00836	1.9
234.99983	0.5
235.99985	0.2
236.99791	0.4
237.99583	0.2
242.03625	0.9
243.01955	5.1
243.04262	0.3
255.00818	0.2
258.99911	0.7
259.99988	0.5
260.04660	0.4
261.03052	100.0
262.00153	0.3
262.03186	4.4
263.03259	0.6
264.98767	0.2
266.03616	0.6
275.04572	0.5
277.01041	1.2
278.01068	1.1
279.00928	1.4
280.00934	0.5
282.99884	1.0
283.99976	0.6
284.04645	6.7
284.99878	0.4
285.04724	0.5
301.01019	2.6
302.01138	2.3
303.00864	1.3
304.00937	0.3
307.06332	0.2
319.02008	0.3
320.02475	0.2
321.01746	0.2
325.00897	0.3
326.01260	0.2
343.02097	1.4
344.02124	0.7
361.03442	0.2
362.03140	0.4
367.02234	0.7
385.03183	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	366.212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33441	7.0
60.04531	7.0
67.05494	12.6
69.03428	17.3
70.06577	6.8
70.42252	5.9
71.05009	9.5
73.65611	5.4
79.05489	11.6
81.03438	8.1
81.07059	100.0
83.04981	13.2
85.02893	17.0
93.07042	14.3
95.04976	10.3
97.02934	10.7
98.20816	35.0
98.21529	23.6
107.08562	6.0
109.02947	8.0
123.04412	10.0
124.08389	5.7
127.03934	8.5
133.10165	8.0
147.09123	15.1
153.01814	6.4
167.06912	6.5
176.07060	28.9
196.19374	5.7
204.06667	12.0
204.10170	6.0
222.73822	5.7
223.06065	12.3
243.12234	13.2
263.08560	13.8
271.95782	6.1
281.14917	10.3
330.09729	8.8
366.11111	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	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.01872	11.9
55.05510	33.5
56.96557	15.0
57.03434	25.2
61.02918	6.8
62.02723	2.0
62.15717	2.0
65.64645	2.4
65.85184	2.1
67.05504	58.1
69.03424	15.8
69.07063	45.2
71.04986	6.8
73.02891	4.1
79.05492	45.8
81.03412	9.5
81.07052	49.9
83.04995	7.2
83.08626	14.1
85.02903	4.9
85.06549	3.4
90.42117	2.2
91.05473	43.6
93.07047	28.3
95.04987	16.0
95.08604	23.6
97.02889	20.2
97.06519	5.2
97.10143	16.3
98.20746	7.2
105.07026	27.3
107.04939	14.0
107.08596	24.1
109.02893	2.7
109.06508	11.5
109.10140	15.9
111.08070	5.1
117.05499	18.1
117.06982	11.8
119.04964	2.3
119.08581	21.6
121.06495	6.8
121.10125	12.1
123.08051	7.6
123.11700	4.0
125.09609	12.9
127.03909	2.4
129.07031	5.2
131.04887	2.8
131.08527	15.0
133.06494	7.1
133.10147	16.3
135.08051	8.0
135.11670	5.9
137.09595	5.7
143.08540	6.8
145.06535	2.3
145.10129	9.7
147.08037	6.4
147.11688	7.1
149.09630	7.6
149.13351	3.6
151.11191	6.5
153.01843	3.1
157.10201	5.2
159.08049	2.9
159.11714	4.9
161.09657	3.6
161.13199	4.6
163.11203	3.8
165.09091	4.0
171.11664	2.5
175.11203	5.9
185.13327	4.8
189.11270	5.7
193.12238	4.0
223.13245	23.2
245.18993	4.5
249.14838	2.9
249.18326	3.9
255.08803	2.7
263.20166	3.0
267.09045	6.4
269.10620	5.2
273.18423	18.1
285.10080	14.7
287.11639	3.7
291.19540	100.0
347.22241	4.1
365.15894	3.0
365.23361	26.3
387.20721	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.5
55.01874	18.6
55.05507	32.1
56.96560	21.2
57.03435	21.3
57.07085	3.4
61.02913	11.3
63.62155	2.8
65.03942	6.7
67.05505	74.1
69.03422	14.2
69.07066	21.4
69.61742	16.7
69.62170	6.7
71.04986	16.1
73.02920	7.3
79.05490	51.4
81.03432	18.2
81.07059	89.4
83.04984	27.3
83.08616	15.7
83.74214	2.6
85.02894	17.6
85.06538	8.8
87.28680	3.2
88.77172	3.2
91.03957	5.3
91.05480	60.5
92.34251	2.9
92.59383	2.6
93.07037	51.1
94.20937	2.6
95.04963	24.8
95.08592	25.3
97.02894	11.8
97.06547	9.9
97.10167	6.0
98.97542	3.5
99.04445	7.0
103.05464	3.0
105.07036	39.6
105.25087	2.7
107.04983	14.6
107.08591	39.2
109.02857	4.2
109.06506	28.8
109.10158	24.6
111.04448	23.6
111.08088	12.0
113.06052	6.1
116.98528	4.3
117.07022	12.3
119.08584	28.7
121.06526	12.0
121.10155	19.3
123.04368	3.1
123.08076	12.5
123.11723	7.7
125.05999	4.8
125.09646	7.4
127.03962	3.8
129.06996	10.0
131.00191	3.0
131.08556	24.7
133.06497	7.4
133.10136	36.3
135.08037	16.0
135.11700	11.8
137.09637	5.3
143.08521	7.4
145.10124	19.3
147.08057	9.3
147.11690	10.1
149.09631	13.8
149.13240	3.3
151.11154	16.8
153.12759	9.7
157.10181	8.0
159.08070	4.6
159.11670	6.9
161.09636	9.2
162.13855	2.5
163.11209	10.7
165.09137	6.2
171.03160	2.8
171.11679	5.1
173.09566	3.0
175.11290	4.4
177.10956	2.6
177.12675	3.6
181.12233	7.5
191.10774	3.6
193.12254	5.3
199.06224	2.7
203.05876	5.7
203.14310	2.8
205.08463	11.5
227.12892	4.1
227.17970	5.1
243.08955	3.6
245.19055	4.6
249.14809	5.0
253.14381	5.0
255.09048	3.0
257.10623	4.9
267.09039	24.1
269.10550	8.1
273.18478	30.6
284.12997	3.6
285.10095	48.5
286.10580	3.3
287.11792	10.2
291.19492	35.3
301.13196	7.1
308.11615	3.7
335.71497	3.3
347.22281	3.7
365.19705	6.1
365.23053	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67742	1.2
53.35711	1.0
54.62667	1.1
64.58900	1.1
71.31252	2.2
81.98026	1.2
85.94637	1.1
92.79022	1.0
112.34069	1.0
156.08752	1.1
185.04228	25.5
185.05748	1.8
203.05272	54.5
322.08093	1.1
365.10709	100.0
366.10858	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	2.0
70.24277	1.5
70.24673	2.5
74.26713	0.9
76.94867	0.9
85.02901	1.2
89.46352	1.0
98.97609	1.6
116.98681	1.3
125.66258	1.0
143.01863	1.3
145.14162	0.9
153.01944	1.7
161.01260	1.1
171.65613	1.3
173.03023	1.5
185.04211	28.6
185.05742	1.7
190.90857	1.0
203.05270	59.4
245.05234	3.1
275.00876	1.3
323.30820	1.0
344.19229	1.2
365.10739	100.0
366.10992	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94645	4.4
56.96566	63.7
57.03426	7.3
61.02914	7.0
61.73366	3.4
62.96893	3.3
65.03936	3.8
65.98578	3.3
67.05503	5.5
69.03434	24.4
70.06585	6.0
71.13661	10.4
73.02895	6.5
74.06081	8.7
76.02221	9.8
79.01829	4.6
81.03415	16.4
83.04970	4.5
84.96041	8.9
85.02898	33.4
86.09692	4.9
87.04475	5.8
91.81029	4.5
93.07040	4.0
97.02885	12.4
98.97594	39.5
101.00912	5.1
105.07046	5.2
109.02854	8.2
109.96968	3.6
111.04440	6.0
116.98618	40.0
119.01913	21.0
127.03934	7.8
128.98627	17.8
131.00180	4.2
131.01895	16.3
131.05626	5.5
133.03430	10.1
134.99652	29.7
137.02930	5.6
143.00121	9.5
145.03485	10.0
145.04997	5.4
146.99664	27.7
149.02948	7.9
149.06590	7.2
153.00739	7.3
153.01833	28.8
155.01869	8.6
157.03436	4.4
158.99655	11.0
160.97540	8.2
161.01224	21.4
161.02863	8.1
161.06584	12.0
162.99155	5.2
163.02689	7.6
163.03917	7.9
165.00720	14.9
168.06398	5.4
170.99631	6.4
171.04980	5.3
173.02908	18.7
173.06570	7.3
177.00642	19.4
177.04259	3.9
179.02318	6.0
179.07675	12.0
184.97621	5.4
185.01425	7.1
185.02821	4.6
185.04291	28.3
188.97035	10.4
189.00726	21.9
189.02245	5.4
190.98520	4.3
193.00218	9.8
197.06609	6.6
201.00684	6.3
202.98572	8.8
203.02286	10.2
203.05295	66.3
203.07645	22.8
206.98157	10.5
207.01714	10.0
215.07613	29.8
219.01723	7.7
220.06413	4.2
221.04958	9.0
227.07550	4.6
230.98129	22.2
233.07442	4.1
233.99554	4.3
234.99040	9.3
237.02794	21.5
239.07678	4.6
244.99788	7.3
245.05154	12.0
248.99103	9.1
249.03050	4.6
255.03853	5.2
259.02658	4.3
263.00757	23.4
267.03885	6.9
268.04218	4.9
275.09778	4.3
285.04764	7.4
286.02875	4.2
305.10812	57.8
306.05167	4.4
323.11981	17.3
347.03238	6.0
365.03723	8.6
365.10519	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02897	15.2
75.92103	3.2
75.92550	3.0
87.94378	2.9
96.18288	2.8
98.20760	4.3
119.01958	3.3
133.90100	2.9
185.04230	37.3
203.05278	64.7
245.05072	7.7
252.85356	3.2
365.10858	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
55.01879	3.0
55.44826	2.9
56.96568	16.4
61.02916	3.7
69.03431	12.6
69.23029	2.8
71.57050	5.4
81.03417	7.6
84.96037	4.8
85.02912	19.2
85.06550	4.4
97.02895	13.3
98.97586	27.0
101.00896	5.6
109.02853	4.8
110.97552	6.4
111.04450	4.6
112.99150	4.0
116.98594	16.5
119.01903	19.4
124.88329	3.1
127.03925	6.6
128.98615	11.6
131.00214	4.9
131.01910	18.4
131.02818	3.4
131.05544	12.6
133.03491	12.7
134.99663	12.9
137.02896	4.5
143.00136	3.4
143.01859	7.0
144.98299	3.3
145.03496	13.1
145.04875	3.0
146.99628	6.4
147.05013	3.6
149.01244	8.2
149.02927	4.4
149.06589	22.2
153.01817	3.9
155.01897	11.6
157.03479	8.0
158.99672	4.6
159.05101	6.1
161.01299	5.6
161.02954	12.5
161.06622	12.5
163.04300	2.8
170.99626	3.4
171.05093	5.7
173.02998	18.0
173.06616	12.1
175.04521	8.2
177.00760	5.1
185.02812	5.2
185.04260	8.7
185.06651	9.9
187.08101	5.3
189.00702	6.5
189.06133	6.1
201.06140	6.4
203.03783	4.7
203.05403	11.5
203.07678	29.9
214.05840	3.2
215.07597	29.8
217.09196	4.2
219.01819	11.7
221.03238	5.1
221.05022	25.4
223.04887	3.7
227.07713	4.6
237.02798	24.6
239.07722	8.6
245.05051	8.6
255.03856	6.2
257.08691	4.4
259.02539	3.1
259.06772	4.5
261.08249	5.3
275.09677	7.5
277.03345	7.2
279.09286	13.9
291.09436	3.1
293.05209	4.3
301.08795	3.1
303.01340	9.7
304.01593	4.0
305.10800	100.0
317.07150	4.5
323.06348	6.2
323.12036	8.4
365.10785	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	365.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
55.01879	3.0
55.44826	2.9
56.96568	16.4
61.02916	3.7
69.03431	12.6
69.23029	2.8
71.57050	5.4
81.03417	7.6
84.96037	4.8
85.02912	19.2
85.06550	4.4
97.02895	13.3
98.97586	27.0
101.00896	5.6
109.02853	4.8
110.97552	6.4
111.04450	4.6
112.99150	4.0
116.98594	16.5
119.01903	19.4
124.88329	3.1
127.03925	6.6
128.98615	11.6
131.00214	4.9
131.01910	18.4
131.02818	3.4
131.05544	12.6
133.03491	12.7
134.99663	12.9
137.02896	4.5
143.00136	3.4
143.01859	7.0
144.98299	3.3
145.03496	13.1
145.04875	3.0
146.99628	6.4
147.05013	3.6
149.01244	8.2
149.02927	4.4
149.06589	22.2
153.01817	3.9
155.01897	11.6
157.03479	8.0
158.99672	4.6
159.05101	6.1
161.01299	5.6
161.02954	12.5
161.06622	12.5
163.04300	2.8
170.99626	3.4
171.05093	5.7
173.02998	18.0
173.06616	12.1
175.04521	8.2
177.00760	5.1
185.02812	5.2
185.04260	8.7
185.06651	9.9
187.08101	5.3
189.00702	6.5
189.06133	6.1
201.06140	6.4
203.03783	4.7
203.05403	11.5
203.07678	29.9
214.05840	3.2
215.07597	29.8
217.09196	4.2
219.01819	11.7
221.03238	5.1
221.05022	25.4
223.04887	3.7
227.07713	4.6
237.02798	24.6
239.07722	8.6
245.05051	8.6
255.03856	6.2
257.08691	4.4
259.02539	3.1
259.06772	4.5
261.08249	5.3
275.09677	7.5
277.03345	7.2
279.09286	13.9
291.09436	3.1
293.05209	4.3
301.08795	3.1
303.01340	9.7
304.01593	4.0
305.10800	100.0
317.07150	4.5
323.06348	6.2
323.12036	8.4
365.10785	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	365.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
55.05485	0.8
67.05498	1.4
69.03418	1.2
71.57107	1.1
77.29564	0.7
79.05482	1.3
81.07037	1.0
85.02913	0.8
85.06562	0.8
91.05486	1.0
95.04914	0.8
95.08628	0.8
98.33084	0.9
105.07034	0.9
107.04959	1.0
119.08560	0.9
131.08578	0.9
161.05902	0.9
167.08536	0.9
169.10329	0.8
171.00533	2.4
171.11772	0.8
177.42320	0.8
185.04243	6.0
193.10049	0.7
203.03152	100.0
204.03452	1.6
204.27647	0.7
217.09770	1.1
244.05722	1.5
245.09253	2.5
287.10019	1.0
305.11325	3.3
323.12482	0.8
365.08337	20.8
365.13019	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50341	13.0
55.05514	61.3
56.96570	12.8
57.24518	11.8
67.05502	50.9
67.66170	11.1
69.07072	65.2
71.04938	13.4
71.24733	16.7
71.25047	22.7
79.05486	40.2
81.03407	15.9
81.07059	100.0
83.05005	14.4
83.08621	52.2
89.99882	12.4
91.05461	31.3
93.07053	60.5
95.08598	79.6
97.10152	36.1
105.07030	47.9
107.08586	41.5
109.10156	51.3
111.08051	14.0
111.11678	19.8
119.08548	35.9
121.10132	34.2
123.11671	19.6
127.07953	11.6
133.10120	36.1
135.08090	14.4
135.11668	29.7
139.11197	14.0
147.04381	16.2
147.11661	12.9
149.13234	13.6
153.12776	14.7
167.06999	44.1
197.44762	12.6
217.19420	26.6
235.20554	23.4
327.19351	14.9
327.25159	95.0
363.21957	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	364.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74243	7.1
69.52396	64.4
78.04673	7.5
81.03387	8.6
85.02878	8.9
88.47799	7.8
91.57838	6.4
98.20728	9.4
104.64108	7.1
123.04459	7.3
135.04353	9.8
145.02846	9.6
163.03912	18.5
167.07019	100.0
197.32628	8.1
201.00665	8.3
315.25705	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	365.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.7
53.15316	1.8
55.01884	1.8
56.42959	1.9
57.24154	1.6
58.40988	1.8
61.50705	1.7
71.56537	2.7
78.04698	2.0
79.05499	2.3
85.02896	3.4
89.05065	1.6
95.01360	2.3
95.04953	2.0
103.05459	2.2
105.03385	5.1
109.02876	2.9
125.02361	2.6
125.91413	1.9
127.03876	3.5
131.04895	2.4
133.02849	6.2
134.03621	3.0
137.05991	1.9
153.01770	9.4
159.04445	2.2
161.02322	18.6
162.03099	9.3
163.03815	2.4
177.01855	5.0
177.05417	2.5
179.03409	2.9
183.02850	2.7
185.04633	2.6
187.03818	3.5
189.01840	38.1
190.02629	8.6
191.03404	6.6
193.05003	1.9
200.83385	2.1
201.01843	2.8
205.01294	6.9
208.09683	2.0
215.03438	6.0
217.01320	65.7
218.02106	37.7
219.02856	2.7
221.00740	3.8
221.04553	9.2
234.01581	8.6
235.02364	7.6
243.02879	5.3
245.00821	38.1
246.01482	2.4
247.02359	6.0
249.03952	75.1
257.00879	3.1
261.03903	8.2
263.01849	4.2
271.02405	2.8
273.00284	54.0
274.01050	29.7
277.03445	16.8
287.01935	5.2
289.03400	21.4
291.01401	12.0
291.04153	1.8
300.99780	100.0
302.00003	2.4
305.02798	17.1
315.01331	3.5
319.00784	15.5
333.02377	77.7
334.02728	2.5
351.03473	7.0
365.05411	2.2
365.14874	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	362.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11793	1.9
55.01875	26.3
61.11521	1.9
65.03934	1.9
66.84864	1.8
67.05508	2.7
69.03419	4.1
70.15092	6.6
73.02910	5.5
73.32159	1.7
79.05492	16.0
83.04975	8.5
85.02900	6.4
88.72752	1.8
91.05480	48.5
93.07035	4.2
95.04957	3.5
103.05450	2.3
105.07046	12.0
107.04950	4.1
107.08573	3.4
117.07027	9.2
119.08572	17.2
121.06514	2.4
123.04417	2.2
128.06235	3.4
129.06987	7.1
130.99078	1.8
132.05682	2.7
137.05977	3.9
147.08049	100.0
165.09096	20.4
195.72017	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65406	6.8
55.01865	33.0
59.92268	7.2
69.03419	15.4
71.56429	6.7
71.56808	10.6
73.02912	16.7
79.05503	36.5
81.03407	15.7
81.07104	15.8
83.04984	19.8
85.02899	27.1
91.05483	85.2
93.07061	25.4
95.04980	13.3
97.02911	12.9
98.06091	14.6
103.05476	8.1
105.07029	20.5
107.04904	10.2
117.06991	13.0
119.04929	12.1
119.08593	37.5
121.06486	17.1
127.03927	9.4
137.06012	14.6
139.07555	9.8
147.08063	100.0
154.12256	9.1
155.29727	7.1
165.09102	18.7
166.34805	7.9
200.12854	14.0
264.85062	8.1
326.15970	13.3
344.16980	11.3
362.18033	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	363.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	37.4
64.64767	10.4
66.71465	10.4
67.05492	20.9
73.77163	10.3
79.05486	25.1
81.07056	45.1
83.04962	13.7
83.08626	24.3
85.06548	15.1
91.05440	15.1
93.07047	14.3
95.04945	10.7
100.02123	10.0
100.11237	31.4
105.07014	23.7
109.06546	13.6
119.23342	11.1
133.10123	15.6
164.89690	10.2
175.55711	12.2
183.03011	11.3
183.13841	22.4
201.14806	100.0
219.16676	11.9
229.18716	12.9
363.22864	51.5
363.72552	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	363.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	45.3
53.82251	4.5
55.01872	27.2
55.05495	7.2
57.03435	16.0
58.39672	4.3
59.18223	4.7
67.05499	43.7
68.52068	4.4
69.07072	50.5
69.38404	27.4
69.38837	23.5
72.75398	5.9
73.02924	6.4
79.05494	70.1
81.03413	60.2
81.07058	38.7
83.04982	18.7
89.15742	5.1
91.05466	54.8
93.07039	75.9
95.04966	100.0
95.08627	9.9
98.21580	8.2
105.07040	19.2
107.08598	16.2
109.06508	12.8
109.10145	10.6
115.89122	5.3
121.06509	23.8
123.08090	6.9
123.11685	11.1
129.05510	9.2
133.10138	16.0
133.36354	6.0
151.11176	20.5
177.09178	8.4
195.10210	18.0
225.14867	14.5
293.79721	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	361.2008
Annotation	Cinerin II
Peak:m/z	Relative Intensity
51.02395	1.4
53.03947	7.0
55.01150	1.0
55.01871	6.8
55.05512	23.6
57.03438	7.9
62.65693	1.0
67.05485	2.8
69.03414	1.7
69.07059	2.3
69.50869	8.4
71.04982	2.4
73.02890	1.1
77.03906	2.2
79.05488	37.5
79.23466	1.1
79.98846	0.9
81.07040	3.4
83.04973	1.0
85.65309	1.1
91.05482	24.8
93.06477	2.1
93.07046	35.6
95.04974	15.0
95.08597	4.0
97.06538	1.7
101.02390	1.3
103.05437	1.4
105.04488	2.4
105.06985	2.3
107.04955	100.0
107.08576	2.6
111.08066	2.1
111.11707	1.1
119.08573	1.6
120.52892	1.1
121.06510	8.9
121.10130	6.3
123.08021	1.4
129.05446	3.5
129.07056	1.2
129.88144	1.1
131.08592	1.8
134.49628	1.2
139.07535	3.8
143.19516	1.1
149.09618	12.7
163.53362	1.2
177.09097	2.5
195.10103	9.1
223.13277	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	362.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	26.3
56.11787	2.4
67.05477	2.6
69.03416	3.1
69.71019	2.3
69.71339	19.7
73.02901	4.3
79.05486	16.2
81.03428	4.1
83.04988	10.1
83.25182	2.3
85.02898	5.9
91.05482	53.3
93.07029	3.0
95.04946	3.8
95.10598	2.4
103.05440	3.3
105.07011	8.3
107.04929	3.5
107.08613	3.6
117.06995	7.3
119.04916	3.4
119.08582	22.6
123.04427	3.3
127.03812	2.8
128.06238	3.5
129.06998	9.3
135.07999	2.9
137.05994	6.3
141.92923	2.6
147.08038	100.0
148.08351	3.2
165.07858	4.3
165.09106	20.0
201.64070	2.9
226.86748	2.7
239.73016	3.2
245.79182	3.5
315.76764	2.7
329.65012	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	362.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	22.4
69.03408	9.1
71.01984	11.9
73.02892	7.0
79.05473	23.5
81.03400	8.1
81.63135	5.3
83.04984	18.7
85.02912	13.5
91.05483	54.9
93.07023	8.4
98.06042	23.7
105.07021	9.1
107.04907	11.6
117.07011	13.4
119.08575	15.5
128.06154	6.4
129.40417	5.8
137.05881	9.2
147.08047	100.0
157.14211	5.7
165.09126	21.9
182.11742	21.4
200.12851	12.1
226.06270	5.5
232.28404	6.0
235.07462	6.2
288.16885	6.2
333.61148	6.0
349.91071	6.1
371.69577	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	361.2006
Annotation	Cinerin II
Peak:m/z	Relative Intensity
53.03951	5.7
55.01862	5.2
55.05272	1.4
55.05514	17.2
57.03438	7.3
63.19559	1.0
65.12153	0.9
65.66922	0.9
67.05495	2.6
69.03403	1.0
69.49986	8.6
73.02903	1.0
75.06312	0.9
77.03906	1.4
79.05493	28.4
81.07054	1.6
83.78650	1.0
84.60190	0.9
89.42505	1.0
91.05473	16.8
93.06480	1.8
93.07046	27.2
95.04968	15.0
95.08596	1.7
98.21475	2.1
103.79999	1.0
105.04491	1.6
107.04955	100.0
107.08623	1.6
121.06523	7.3
121.10117	2.7
129.05457	2.8
131.08492	1.3
139.07518	2.1
149.09615	15.4
169.01990	1.0
177.09149	1.1
185.26407	1.0
195.10168	5.0
223.13278	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.6
54.77960	2.7
55.05512	3.4
58.24249	2.4
60.33738	2.7
65.03939	3.5
66.84211	2.7
67.05494	4.7
67.45223	2.5
69.03443	2.8
69.07057	6.0
70.06625	15.6
79.05463	15.8
79.73682	2.6
81.07049	7.4
83.04983	4.1
85.02895	3.7
91.05475	38.1
93.07039	15.3
95.04969	17.1
95.08607	5.9
98.18734	3.2
103.05453	15.3
105.05740	2.8
105.07025	12.2
107.04958	39.4
107.08562	8.5
109.02897	3.1
109.06507	6.1
109.10139	6.5
111.04444	7.3
115.05436	5.0
117.07023	8.6
118.04208	2.8
119.04949	6.1
119.08586	9.3
120.05754	2.8
121.02853	4.2
121.06507	24.5
122.03591	4.4
123.04414	11.1
124.05217	5.7
125.06002	6.3
125.09616	3.5
128.06210	13.5
129.06996	31.8
131.04916	13.0
131.08563	16.0
133.02861	5.1
133.06488	6.5
133.10149	6.7
135.04430	4.4
135.08029	8.7
137.05995	24.8
141.06976	3.9
145.06467	11.2
146.03673	3.2
146.07234	4.9
147.04337	4.7
147.08044	3.4
148.05269	3.4
149.05952	7.8
151.03865	4.8
151.07547	18.0
152.04747	5.3
153.05479	17.8
153.06680	2.8
157.06506	21.5
161.05989	42.0
161.09602	14.1
163.07556	23.6
165.05624	4.7
165.07004	11.6
165.09116	6.5
166.06270	12.3
166.07616	3.2
167.07054	81.5
167.08456	6.4
169.06502	4.5
169.09967	3.3
171.07971	3.7
173.05969	3.3
174.06721	10.4
175.07532	11.8
177.06906	2.9
177.09137	14.2
178.07764	3.6
179.08560	7.2
179.10703	2.9
181.05031	5.2
181.06526	7.4
181.08600	100.0
181.10187	6.5
182.05504	3.4
182.07275	11.4
182.08905	3.9
189.09093	75.8
190.80128	3.3
191.08606	6.5
193.06494	6.3
194.07288	5.4
195.08017	13.7
197.09677	13.8
198.59901	3.2
199.07455	5.4
202.81108	2.8
207.08275	6.1
207.10205	13.1
208.08630	4.9
210.06697	9.6
211.07527	4.9
212.08182	4.2
219.08044	7.7
222.06741	3.9
223.07536	12.8
223.11121	4.5
224.08228	4.7
225.05533	5.1
225.09114	21.1
227.07086	6.3
229.12236	5.2
235.07426	3.9
236.08360	4.9
237.08887	5.0
239.06996	6.0
240.07748	10.4
241.08080	3.3
242.09178	3.3
247.07475	3.4
251.07066	4.9
251.10649	11.4
253.08656	15.9
254.08968	4.6
255.06509	7.3
255.10175	5.5
257.11777	20.2
265.08582	4.1
268.07260	4.0
270.08826	7.2
271.12979	4.2
279.10123	5.1
283.09726	15.1
283.13150	11.8
285.11240	30.0
297.11139	4.5
299.08771	5.4
302.11133	4.9
311.12790	4.9
315.11755	21.3
315.15173	6.2
317.13745	14.0
329.12976	13.2
331.15210	5.2
343.14832	14.4
361.15970	21.2
361.23340	3.8
380.47778	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	361.1642
Annotation	Fisetinidol-4beta-ol 3,4,7,3',4'-pentamethyl ether
Peak:m/z	Relative Intensity
64.58637	8.0
66.03967	5.7
67.36988	6.6
67.95764	6.4
70.05283	35.8
79.05479	31.1
80.83019	7.3
81.07037	10.5
91.05462	40.8
93.07033	16.5
95.04951	20.6
103.05456	23.2
105.07011	22.3
107.04955	57.4
109.06480	7.5
111.04429	11.6
115.05422	7.8
117.07018	11.1
119.04909	10.5
121.06470	34.1
122.03669	9.6
123.04430	12.4
123.32845	7.0
128.06209	15.1
129.07016	37.6
131.04915	20.1
131.08525	15.0
133.02875	8.8
133.06438	10.7
135.04355	8.3
135.08012	23.6
137.05968	76.7
138.06389	7.5
145.06467	9.5
147.04324	11.9
148.09441	6.1
149.05956	9.0
151.07564	47.4
152.04729	8.7
153.05447	14.4
157.06479	23.5
161.05989	63.1
161.09569	12.2
163.07571	42.1
165.05464	12.3
165.06976	13.0
165.09067	13.9
166.06277	11.0
167.07069	86.4
167.08452	14.4
171.08118	9.1
174.06792	9.2
175.07487	13.2
177.09029	15.7
179.07120	12.6
180.07672	7.6
181.08588	90.4
181.10031	12.4
181.12270	8.7
189.09087	100.0
193.06567	9.6
193.08592	7.1
195.08043	12.2
197.09596	10.5
207.10155	19.9
208.08734	13.0
210.06752	8.1
219.08003	8.6
223.07433	14.9
225.09122	25.1
251.10655	12.1
252.07214	6.6
253.08604	21.8
255.10109	12.8
257.11658	22.6
279.10413	8.2
283.09756	9.4
283.13062	9.2
285.11041	32.1
290.89755	7.9
315.12183	15.2
317.13892	28.1
328.12781	10.0
331.15079	18.4
343.15192	13.5
351.01266	7.9
351.55557	7.6
361.16370	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	15.2
53.17244	5.5
55.01855	6.5
55.05495	21.1
57.03419	6.6
59.53955	5.4
67.05486	22.1
69.03403	15.3
69.07050	11.5
71.03037	11.5
71.03383	6.4
71.04972	5.6
76.08945	4.9
79.05476	19.7
81.03408	13.3
81.07050	30.5
83.04976	4.6
83.08603	7.1
85.02911	34.3
85.06548	12.2
91.05482	41.0
93.07032	34.2
95.04949	15.9
95.08611	14.6
97.02902	8.6
103.05459	14.8
105.07013	20.2
107.04967	35.3
107.08595	17.9
109.02850	18.4
109.06499	10.5
109.10135	16.1
119.04924	10.0
119.08620	7.0
121.06519	26.6
121.10109	7.5
124.05203	11.3
125.06007	7.6
125.09641	7.0
127.03924	8.2
128.06253	9.3
129.06992	17.4
131.04924	14.8
131.08560	14.9
133.02872	38.1
133.06473	10.8
135.04407	5.0
135.08044	11.5
135.11748	6.1
135.21272	5.2
137.02339	6.7
137.05975	96.7
138.06763	6.1
147.04413	6.9
148.05141	7.6
149.05972	7.7
151.07536	49.4
152.04640	8.4
153.05449	17.2
157.06496	12.6
161.05952	43.4
161.09628	7.7
163.07529	19.9
163.14799	20.3
165.05498	11.3
165.06897	12.5
165.09085	10.7
166.06200	7.8
167.07057	100.0
167.08434	8.5
174.06746	8.5
175.07602	10.4
177.09084	14.8
179.07005	8.0
179.10699	26.6
181.06349	6.6
181.06975	8.3
181.08562	87.6
187.07524	5.4
189.09120	68.4
191.08569	8.2
193.08617	7.5
195.08099	6.1
197.09654	12.1
199.16913	16.9
207.10138	12.0
209.11736	6.8
225.09068	13.1
227.07095	7.2
237.34331	5.9
239.07104	6.2
241.08455	7.2
242.09393	6.4
251.10661	7.7
253.08733	11.0
255.10045	6.4
257.11682	12.5
263.82248	5.3
268.07257	7.1
279.10217	9.1
283.09662	17.7
283.13354	9.5
285.11081	27.1
303.04391	5.8
311.12656	7.0
315.12234	19.6
317.13864	13.6
343.06662	5.7
343.15186	7.2
355.72055	5.4
361.18213	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	361.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
55.01860	2.2
55.05492	3.6
65.03922	2.8
67.05481	6.3
69.03416	3.3
69.07068	2.6
70.64719	6.9
78.04712	4.2
78.68133	2.0
79.05492	21.5
81.03392	2.2
81.07079	10.0
83.04959	2.8
85.02930	2.0
85.06535	2.3
91.05473	31.9
93.07058	16.8
95.04958	15.7
95.08594	9.0
98.47357	2.1
103.05466	15.5
105.03349	2.6
105.07024	15.0
107.04949	36.6
107.08577	7.9
109.06503	5.7
109.10138	6.1
111.04441	4.3
115.05437	4.1
116.06210	2.2
117.07024	8.5
119.04927	9.5
119.08591	10.1
120.05746	2.1
121.02910	2.3
121.06505	25.4
121.10131	5.9
123.04417	8.2
123.11671	2.7
124.05197	3.9
125.05961	6.9
128.06230	9.8
129.07014	26.8
131.04913	11.8
131.08582	12.3
133.02840	4.9
133.06470	7.3
133.10112	4.9
135.04405	6.1
135.08040	9.1
136.05173	3.0
137.05981	22.1
137.74673	2.3
138.03094	3.3
139.07518	3.8
141.07050	2.4
143.08534	5.5
144.05734	3.7
145.06456	9.5
145.10150	2.0
146.07312	3.4
147.04411	6.7
147.07965	3.6
147.11678	3.9
148.05220	5.9
149.05968	11.7
149.13234	2.4
150.06764	3.3
151.03874	5.3
151.07553	17.5
152.04636	5.1
152.06104	2.8
153.05441	15.6
153.06754	2.7
155.05920	2.0
155.08450	1.8
157.06499	24.1
158.07220	2.9
159.07982	3.4
159.11668	2.9
160.05177	3.7
161.04666	2.5
161.05975	44.7
161.09624	13.9
162.06631	2.7
163.07565	21.3
165.05630	3.3
165.06946	12.6
165.09070	12.0
166.06233	9.0
166.07722	4.1
167.07037	85.1
167.08530	6.5
169.06396	2.5
169.10098	2.1
171.08069	3.6
174.06746	13.6
175.07553	10.4
177.09105	13.2
178.07768	3.2
179.06979	6.7
179.08536	6.1
181.05016	4.5
181.06577	6.7
181.08580	100.0
182.05426	1.9
182.07228	10.1
182.08774	2.4
183.08002	3.1
189.09096	81.7
191.08543	4.8
193.06491	4.1
194.07281	6.5
195.08026	15.0
197.05965	4.9
197.09549	8.3
198.06532	3.1
199.07539	3.5
203.10609	4.1
207.08174	4.2
207.10158	13.9
208.08763	4.5
209.06013	4.5
209.09496	2.6
210.06749	7.0
211.07436	6.2
213.08896	2.2
218.07167	3.1
219.08009	6.9
219.10051	3.0
221.05951	7.6
222.06703	4.5
223.07503	9.0
223.11063	3.3
224.08026	2.5
225.05496	4.7
225.09116	19.9
227.06973	9.0
229.12244	3.6
235.07495	4.0
236.08241	6.6
237.09012	4.6
238.06160	3.6
239.06950	6.2
239.10541	4.1
240.07755	7.3
241.08467	3.4
242.09169	2.6
247.07501	3.6
251.07031	7.0
251.10588	6.8
253.08601	15.8
254.09183	4.7
255.06656	3.2
255.09799	8.0
255.12546	2.4
257.11636	14.5
267.10046	4.1
268.07175	3.6
269.07993	4.8
270.08740	5.6
271.09433	4.3
279.10175	5.6
283.09576	16.0
283.13174	12.2
284.09991	2.8
285.07797	2.3
285.11182	34.0
297.11151	5.8
299.09027	3.8
299.12714	2.3
301.13809	2.4
302.11203	5.1
311.12729	10.8
314.11023	3.5
315.11783	21.0
315.15085	8.0
317.13818	18.2
329.13141	9.6
331.15131	4.8
331.37000	2.0
333.16391	3.0
343.14975	14.1
361.16052	17.3
361.23511	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	361.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.0
57.81923	3.1
58.81348	2.8
65.03958	3.7
66.54288	2.9
67.05495	6.0
69.03416	3.2
70.71496	11.5
79.05490	20.5
81.07059	7.8
84.73338	2.6
89.39267	2.9
91.05482	36.6
93.07051	17.4
93.10683	3.0
95.04975	17.1
95.08630	3.2
103.05462	14.6
105.07012	14.2
107.04957	39.3
115.05477	6.9
116.06223	4.0
117.06997	7.1
119.04964	8.7
119.08614	4.9
121.06493	25.5
123.04443	6.6
124.05203	6.1
125.06020	4.5
128.06227	10.8
129.06982	33.5
131.04922	11.0
131.08572	10.3
133.02911	3.6
133.06522	4.1
135.04391	3.2
135.08037	7.5
137.05969	22.7
138.06754	2.9
145.06442	7.2
146.03629	4.7
147.04442	5.6
147.08035	4.5
148.05196	5.1
149.05989	10.3
151.03958	6.3
151.07552	19.2
152.04649	4.8
152.06166	3.6
153.05487	17.0
153.06595	3.1
155.07092	4.1
157.06482	23.5
159.08026	4.1
161.05972	51.0
161.09570	13.8
163.07562	29.2
165.05679	3.0
165.07033	8.3
165.09140	10.1
166.06258	9.8
166.07639	4.1
167.07071	65.4
167.08429	6.9
174.06754	16.7
174.08214	2.7
175.07523	9.4
177.09154	10.7
178.07706	5.2
179.07124	5.2
179.08611	4.9
181.08595	100.0
182.07272	7.2
184.05270	3.9
185.09612	3.0
187.07495	4.3
189.09091	87.7
191.10617	4.4
194.07217	5.4
195.08047	10.8
197.05879	3.8
197.09639	13.6
199.07457	3.7
199.13333	9.1
207.08141	6.4
207.10167	19.1
208.08939	4.2
209.05858	3.5
210.06677	6.2
211.07588	7.5
219.08080	8.0
219.10136	3.6
221.06140	3.6
222.06819	5.9
223.07547	10.8
223.11223	5.0
224.08467	3.4
225.09081	23.9
227.07053	8.5
229.12202	3.7
235.07414	3.4
236.08377	5.7
237.05444	3.6
237.09048	4.0
239.06984	6.8
240.07764	3.2
241.08751	4.9
242.09360	4.8
247.07559	4.5
251.07036	5.6
251.10732	7.3
253.08476	16.7
255.06534	5.6
255.10197	7.1
257.11768	15.0
267.10260	4.3
270.08932	3.2
279.10202	4.6
283.09680	11.8
283.13254	12.5
285.08029	5.6
285.11148	35.7
299.09305	3.3
299.12640	7.2
301.14383	3.4
311.12753	11.5
313.30228	3.1
315.12292	23.6
317.13776	15.6
331.15506	4.6
343.15482	10.9
361.16605	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	361.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.5
53.03942	3.2
55.01862	4.4
55.05508	2.0
57.03441	1.6
57.71063	1.2
65.03927	3.6
67.05493	4.8
69.03421	3.5
69.07051	3.6
69.70799	8.8
71.04986	1.4
77.03953	1.7
78.04697	2.5
79.05488	16.6
81.03418	3.4
81.07067	9.4
83.04984	1.9
85.02908	2.6
85.06541	2.7
86.09729	1.1
89.03945	1.7
91.04897	1.9
91.05472	35.6
93.03378	1.8
93.07043	16.0
94.04218	1.9
95.04961	17.1
95.08590	4.2
98.21478	2.5
103.05466	15.4
105.03403	2.4
105.07022	13.4
106.04123	2.8
107.04953	45.7
107.08578	3.7
109.02862	2.4
109.06513	3.9
109.10123	3.7
111.04439	4.3
111.08048	2.1
115.05442	7.1
116.06270	1.6
117.03374	1.8
117.07014	7.2
118.04142	1.6
119.04939	8.6
119.08608	2.4
120.05705	3.9
121.02838	2.1
121.06510	23.5
121.10151	2.8
122.03621	3.1
123.04414	9.8
123.11723	2.0
124.05257	6.5
125.05983	6.1
125.09625	1.5
127.03922	1.7
128.06242	12.7
129.07002	29.0
131.04921	14.8
131.08578	11.6
132.05685	2.6
133.02876	3.8
133.06523	6.3
133.10072	1.2
135.04424	6.3
135.08063	7.2
136.05174	2.1
137.05972	27.5
138.03149	1.4
139.03876	1.9
139.07587	1.7
141.07014	1.7
143.08517	2.4
144.05717	2.3
145.02797	3.3
145.06470	7.1
146.03624	2.0
146.07294	4.3
147.04359	7.2
147.08034	3.5
148.05171	4.8
149.05975	10.0
150.06764	2.2
151.03915	6.9
151.07532	19.5
152.04668	3.7
152.06236	3.2
153.01854	2.8
153.05473	20.0
153.06822	2.5
154.06285	1.9
154.07747	2.6
155.07068	2.3
155.08560	1.7
156.05611	1.3
157.06487	26.6
158.07211	1.6
159.04469	1.5
159.08040	3.9
160.05287	1.4
161.05969	43.5
161.07263	2.7
161.09599	12.3
162.06535	1.7
163.07542	24.2
165.05624	3.0
165.06993	11.8
165.09084	10.6
166.06255	11.0
166.07597	2.5
167.07054	80.6
167.08528	8.2
168.07349	2.5
169.06511	2.5
169.10168	1.7
171.08035	2.6
173.05952	3.8
174.06750	13.5
175.07535	10.4
177.05475	5.5
177.06934	3.0
177.09119	12.0
178.07794	3.7
179.07007	6.7
179.08557	6.3
179.10596	1.8
180.07736	2.3
180.09312	2.3
181.05113	2.3
181.06580	5.8
181.08592	100.0
182.07260	9.2
182.08858	2.8
183.07959	1.8
184.05197	1.5
186.05525	1.3
187.07571	2.2
189.09099	86.0
190.07767	3.3
190.09503	4.2
191.07045	2.2
191.08560	7.9
191.10573	2.8
193.06479	6.0
193.08516	2.6
194.07236	6.8
195.08041	17.1
196.08794	2.5
197.05927	4.3
197.09586	12.3
198.06650	2.1
199.07491	4.2
202.07500	1.5
203.06892	1.3
203.08624	1.8
203.10622	2.4
205.06535	3.5
205.10144	2.0
206.07193	2.1
207.02797	1.6
207.08054	7.5
207.10162	16.2
208.05136	2.3
208.08862	5.3
209.05928	3.6
209.09633	3.1
210.06836	9.4
211.07549	9.5
212.08295	4.0
213.09074	3.0
218.07288	3.5
219.08076	8.8
220.08594	1.5
220.74397	1.3
221.05956	6.2
221.09610	2.2
222.06746	3.9
223.07524	11.4
223.11176	5.6
224.08217	5.8
225.05537	3.4
225.09059	21.2
226.06265	3.1
227.07011	9.5
229.12247	3.1
233.09599	2.3
235.07512	5.4
236.04697	2.2
236.08237	6.7
237.05434	2.6
237.09059	8.6
238.06253	3.2
238.09863	1.6
239.07056	7.4
239.10666	3.9
240.07799	8.2
241.08522	5.0
242.09306	3.9
247.07573	4.2
248.08351	1.7
248.13087	1.4
249.05507	2.4
250.06299	1.7
251.07002	8.3
251.10623	13.3
252.07608	2.0
253.08586	21.8
254.09174	2.6
255.06474	5.9
255.10071	8.2
257.08029	3.0
257.11728	19.7
261.09210	1.8
263.06924	1.7
264.07822	2.4
265.08594	5.6
267.06647	1.5
267.10120	4.0
268.07227	4.5
268.10742	3.9
269.08044	4.6
269.11569	1.9
270.06033	1.3
270.08771	8.5
271.09695	2.2
271.13239	4.1
279.10129	10.3
281.07950	2.8
282.08691	1.4
283.09653	20.2
283.13269	11.5
284.10223	2.8
285.07651	4.9
285.11151	32.8
285.14291	1.9
286.11792	3.5
289.14462	1.9
296.10364	3.8
297.11197	7.2
299.09128	3.6
299.12851	3.6
300.09821	1.9
301.14392	3.2
302.11475	5.7
311.12738	12.0
314.11526	1.6
315.08826	2.5
315.12250	20.5
316.12790	2.4
317.13876	19.1
328.13022	2.5
329.13974	6.4
331.15417	2.3
343.15411	8.9
361.16251	27.3
362.16513	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	8.7
56.05041	5.0
56.40159	4.0
57.03433	9.8
61.02912	13.3
69.03419	32.9
70.06576	10.2
70.75947	9.4
70.76304	6.5
73.02901	5.8
81.03421	5.1
85.02905	100.0
85.17351	4.8
97.02892	27.4
98.97591	4.9
99.04443	8.1
101.02351	6.3
109.02877	11.5
115.03934	5.1
116.98612	5.2
127.03930	50.4
145.03534	7.4
145.04945	42.7
161.03033	4.3
162.02870	3.8
163.03931	9.8
163.06085	9.4
173.02908	4.3
175.84425	4.5
187.04541	5.2
205.90817	4.3
208.25323	4.4
219.65559	5.1
245.11253	4.4
259.02444	5.9
303.01303	9.1
329.03577	9.1
360.13239	6.2
361.06955	9.6
382.80383	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	361.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04708	4.3
53.03958	7.0
55.23105	5.7
56.68406	5.5
67.14708	4.6
69.03416	6.6
69.71311	37.7
71.24057	4.8
76.66081	5.4
79.05485	16.0
81.03417	6.8
81.07037	5.4
84.04513	15.8
85.02910	13.2
86.07796	6.8
91.05468	12.1
93.07048	19.7
98.20768	10.1
109.06542	7.9
111.04503	5.5
119.04963	8.3
119.42484	4.7
121.06510	18.9
123.08059	8.9
126.05521	15.5
127.03972	7.5
131.04959	14.7
133.02875	6.4
136.28043	4.6
137.05980	27.7
139.07567	16.9
147.04456	28.2
149.05998	13.6
163.07545	39.8
163.26399	5.5
167.07043	100.0
169.47325	5.5
185.07988	4.9
188.03712	6.6
199.09618	15.4
200.12878	5.6
215.05295	12.9
229.72656	5.0
265.93176	5.5
361.09256	14.8
361.14578	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	361.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
53.15439	2.3
55.05503	3.3
58.09945	2.4
58.60656	2.6
62.52945	2.3
65.03915	2.9
67.05505	5.7
69.03426	3.5
69.07043	2.2
71.57417	3.2
78.04700	3.0
79.05493	21.3
81.07047	13.2
85.02921	2.5
85.06533	5.3
91.05472	29.6
92.32455	2.8
93.07047	21.9
95.04971	14.4
95.08617	6.6
99.08065	3.3
103.05466	14.4
105.07024	16.0
106.04208	3.6
107.04955	38.4
107.08549	4.6
109.06501	7.0
109.10176	4.2
111.04445	2.7
115.05447	5.0
117.07004	6.8
119.04951	7.0
119.08586	3.6
120.05730	2.6
121.06507	23.9
121.10110	2.8
123.04433	10.9
124.05209	5.2
125.06004	3.0
128.06238	10.3
129.07014	30.9
131.04933	14.0
131.08569	15.8
133.02858	6.1
133.06505	6.2
134.03619	2.3
135.04417	4.6
135.08069	8.7
136.05132	2.4
137.05972	23.5
138.03131	3.1
139.07588	3.4
144.05704	3.6
145.06505	13.3
147.04398	4.2
148.05260	3.7
149.05974	6.4
149.09546	3.4
151.03871	7.7
151.07538	21.9
152.04608	6.3
152.06210	2.9
153.05476	13.4
153.06734	3.0
157.06473	18.8
159.08025	3.9
160.05110	2.8
161.05997	33.1
161.09592	11.2
163.07541	22.4
165.05598	3.4
165.06993	10.1
165.09042	11.6
166.06274	9.3
166.07741	2.3
167.07056	78.1
167.08440	5.0
173.06075	3.2
174.06767	15.3
175.07552	8.3
177.05518	4.1
177.09090	6.7
178.07736	4.1
179.06992	6.2
179.08549	10.6
180.07764	3.2
181.05132	3.4
181.06642	6.2
181.08595	100.0
181.10216	5.2
182.07251	9.1
183.08051	3.3
187.07588	3.1
189.09094	65.1
189.10739	4.2
190.07779	3.2
190.09500	2.8
191.08565	5.6
193.06511	7.5
193.08539	3.0
194.07294	3.5
195.08002	14.6
197.06061	3.0
197.09618	9.1
199.07588	3.3
203.10561	3.2
207.06265	2.8
207.08176	5.4
207.10182	14.1
208.08844	6.1
210.06798	8.7
211.07614	7.1
219.08072	6.2
219.10098	3.0
221.06003	5.2
223.07610	11.7
223.11305	4.1
224.08377	3.1
225.05556	3.6
225.09145	13.3
227.07079	9.0
229.12285	3.3
233.80899	2.8
235.07567	4.3
236.08250	3.2
237.09090	6.9
239.07074	7.1
240.07864	6.0
241.08650	5.4
242.09326	3.9
243.09811	2.8
247.07509	4.2
249.08954	2.5
251.07022	5.7
251.10690	8.9
253.08537	13.6
254.09195	2.8
255.06679	4.8
255.10056	6.5
257.08444	2.4
257.11615	14.5
259.09570	2.9
259.40518	2.6
265.08557	5.5
267.10229	4.0
268.10834	4.3
269.08063	4.5
270.08801	5.2
271.13181	2.5
279.10272	7.6
283.09680	14.2
283.13339	10.9
285.11206	35.8
287.09384	2.6
297.11182	3.1
299.09277	2.9
299.12689	5.2
311.12878	8.0
315.12225	12.7
317.13776	15.0
343.15280	7.1
361.16287	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	359.1699
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
50.07251	3.1
65.43159	3.5
68.50121	3.5
69.03419	12.1
69.97850	3.0
70.07504	4.7
81.03416	6.0
85.02908	30.5
86.09722	5.1
91.05460	7.8
93.07034	7.3
97.02855	6.0
103.05443	3.9
105.07037	8.9
107.04923	4.6
107.08611	18.0
112.67022	3.4
119.05022	4.5
119.97243	3.4
123.10026	4.2
127.03931	4.7
131.04909	4.1
133.10094	27.7
135.11647	22.1
137.05945	4.4
161.09642	10.8
178.41759	3.8
179.10684	36.0
190.08870	3.4
197.11717	100.0
229.61314	5.2
247.58717	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.7
55.01873	4.2
55.05508	2.8
55.77694	2.4
56.96563	2.4
57.03422	3.5
58.48645	3.4
67.05480	9.7
69.03409	9.9
69.07038	3.4
70.06580	3.1
70.74291	8.3
71.04966	2.7
79.05493	16.5
81.03384	7.2
81.07033	8.2
82.02890	3.1
82.06544	2.9
83.04990	3.5
83.06107	3.0
84.04498	100.0
84.08134	20.7
85.02910	14.5
85.06535	4.3
90.79546	2.5
91.05464	6.2
93.07029	14.1
95.04937	10.7
95.08590	5.3
96.04465	6.3
96.08111	3.9
97.02878	10.4
98.06012	7.0
109.02855	9.6
109.06478	4.6
110.06013	4.8
111.04436	5.0
112.07539	3.6
121.06513	6.5
122.87369	2.6
124.07590	4.5
125.07027	2.7
126.05510	91.8
126.09146	6.8
127.03882	3.3
127.34608	2.7
134.99606	2.9
135.04399	2.6
137.05972	4.8
138.05482	23.0
138.09126	55.9
142.11983	2.8
144.06549	7.0
152.07083	7.6
153.01820	10.0
154.08539	5.3
155.08162	19.6
156.06497	2.8
163.56102	2.5
167.08243	3.5
168.06578	7.0
180.06564	6.0
186.07594	8.8
189.54752	2.8
197.09221	81.7
198.09450	3.1
203.11832	2.6
204.08624	26.7
239.10164	5.8
253.08389	2.9
276.30289	2.9
285.11081	3.8
359.13681	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	360.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41057	3.3
54.34334	2.8
70.06696	8.3
70.07101	5.6
75.18649	3.1
79.05492	5.8
81.03399	3.2
85.02882	5.2
85.06515	5.9
91.05486	6.9
103.05462	4.8
105.07034	4.5
107.04951	8.3
107.08598	3.6
120.14185	3.6
133.02808	6.4
135.04436	6.3
137.05962	11.6
149.01152	5.7
149.02336	100.0
151.07500	3.6
161.05937	2.9
161.09480	3.5
163.03914	62.0
167.06984	4.4
173.46118	3.1
181.04962	21.0
181.08559	10.5
189.09070	4.1
195.08032	4.0
214.49472	3.2
222.87923	3.3
225.08945	3.7
239.10803	3.2
253.08432	3.3
330.14798	4.4
342.14508	5.9
360.15140	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	359.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.6
55.01868	3.3
61.02926	6.8
67.05508	6.1
69.03425	14.9
69.07062	4.9
70.06601	4.5
70.73180	6.1
71.04990	5.2
73.02920	3.7
79.05495	6.5
81.03403	8.7
81.07040	7.0
84.08118	3.7
85.02901	36.3
91.05481	9.8
93.07037	8.9
95.08613	5.5
97.02870	15.6
103.05463	5.5
105.07020	11.9
107.08588	62.2
109.02895	5.0
109.06469	4.0
109.10183	14.8
111.04431	3.2
119.52515	2.9
121.06551	4.3
123.04408	7.4
127.03896	7.6
131.04904	5.5
133.10149	23.8
135.11687	14.1
137.05974	18.0
137.09619	6.0
145.04962	4.7
146.45522	2.9
151.11218	5.8
153.05566	3.1
161.09637	9.9
163.07533	10.7
179.10681	21.5
197.11723	100.0
200.86758	3.8
225.08975	2.8
359.17258	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	359.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	10.4
55.01883	10.9
55.05514	10.7
57.03412	5.4
58.84610	4.5
59.04993	15.3
62.37001	4.0
64.70340	5.1
67.05494	14.2
69.03419	25.1
71.04990	8.2
71.57372	7.1
71.57752	5.7
74.21937	4.2
79.05492	21.9
81.03441	24.4
81.07053	10.1
83.04979	8.9
83.08649	5.7
85.02900	67.7
87.04472	45.3
90.16077	4.1
91.05471	18.8
93.06474	7.3
93.07043	100.0
95.04960	16.2
95.08602	15.7
97.02892	30.0
97.06499	7.8
97.15681	5.3
99.04450	8.5
105.07021	6.3
107.04945	6.2
107.08609	21.0
109.02849	17.3
109.10149	8.4
111.04476	7.0
111.08061	26.0
113.05944	5.4
116.98725	5.0
119.04856	5.4
121.06530	8.8
127.03910	16.0
133.10123	13.5
137.05966	6.1
139.07539	33.9
151.07527	5.7
151.11256	6.1
165.07007	5.6
167.07088	8.8
167.10649	8.6
175.07574	7.3
179.10664	11.7
179.47064	5.3
180.27573	4.2
185.08028	4.7
197.07912	5.4
197.11708	56.1
197.15450	8.4
326.82452	4.4
359.15063	6.6
372.22980	5.2
384.49127	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	359.1489
Annotation	Prestegane B
Peak:m/z	Relative Intensity
53.03936	4.0
55.01868	2.6
55.05500	5.9
62.69912	2.4
65.03933	4.2
66.70165	2.1
67.05489	8.1
69.03427	6.0
69.07065	5.4
69.64426	18.2
71.04986	2.3
72.21419	2.2
79.05474	8.2
81.03412	8.0
81.07044	9.4
83.04997	3.1
83.08611	3.3
85.02911	4.5
91.05467	21.5
93.07031	8.6
95.04964	9.9
95.08577	5.8
97.06514	3.8
103.05472	8.9
105.07018	12.9
107.04943	15.4
107.08613	6.2
109.02876	18.2
109.06509	5.5
109.10165	3.2
110.03677	3.0
111.04431	4.7
115.05437	6.1
117.07021	7.4
119.04918	6.0
119.08563	7.2
121.02872	9.3
121.06495	9.6
121.10154	3.0
123.04450	2.3
123.08070	2.8
125.05968	4.9
125.09618	5.1
127.03907	3.5
128.06284	3.2
129.06978	4.7
131.04922	8.6
131.08545	2.3
132.05687	4.0
133.02856	4.4
133.10092	3.9
135.04379	5.4
135.08034	9.1
137.05997	19.6
143.08513	3.8
144.05637	3.9
145.06503	4.9
145.10126	7.7
147.04427	4.6
147.07912	4.2
149.02379	2.6
149.05995	8.5
149.09596	3.3
150.06721	3.7
151.03876	4.7
151.07561	5.9
153.01814	2.9
157.22018	2.1
159.08102	5.2
160.05197	4.2
161.05969	2.8
161.09570	5.2
163.03906	2.6
163.07544	9.5
165.06956	6.0
166.07809	2.6
167.07086	21.2
167.08487	4.2
173.09624	4.5
175.07541	16.0
177.09076	3.6
177.57268	2.7
178.07793	5.3
179.07047	8.6
179.08487	4.6
179.14355	3.6
181.04964	18.6
181.06381	4.3
182.07278	3.1
185.13292	2.5
194.07242	4.3
195.08031	13.2
197.05991	5.5
197.09653	2.6
197.11823	3.4
202.07709	2.9
206.07286	3.4
207.08168	4.8
209.06053	5.8
209.09549	5.5
210.06740	8.4
211.07558	9.9
212.08301	3.3
213.09105	3.9
218.07227	2.4
219.07979	3.4
221.09660	12.5
222.06792	3.7
223.07568	9.9
225.09166	5.4
227.06958	5.8
235.07677	4.1
236.08136	2.8
237.09067	7.7
238.06229	2.6
238.09790	7.4
239.06978	5.9
239.10683	4.6
240.07823	17.5
241.08487	5.4
242.05775	3.0
243.10158	2.4
249.09079	8.2
251.07063	6.5
252.07819	6.5
253.04857	2.9
253.06097	3.2
253.08572	28.2
253.12170	9.1
254.09349	5.5
255.06583	7.4
255.10020	6.2
257.07993	7.6
265.08658	6.7
266.09369	5.8
267.10117	4.7
267.71039	2.2
268.07361	6.2
269.08087	10.5
270.08969	4.0
281.08051	9.1
281.11661	9.9
283.06329	4.8
283.09644	17.5
284.10327	5.2
285.07626	4.0
295.09589	5.3
297.07605	7.3
298.08325	8.2
298.11694	4.1
299.05524	4.2
299.09528	3.0
299.12653	12.2
300.09860	20.4
301.14233	2.5
309.11163	11.8
313.10666	67.6
313.14365	41.2
314.11142	2.8
326.11368	5.8
327.08807	4.5
327.12283	36.6
329.13660	3.0
331.15448	17.8
341.13794	39.8
341.22110	3.8
350.22937	3.5
359.14856	100.0
359.23285	27.0
359.73370	9.5
360.15363	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	359.1486
Annotation	Negundin B
Peak:m/z	Relative Intensity
54.39808	2.7
55.05512	2.9
55.07616	2.6
65.03923	6.0
67.05483	3.0
67.61270	2.5
67.71251	2.8
70.05823	13.4
81.07044	4.4
89.88846	2.6
91.05464	3.0
93.07039	3.1
95.04962	5.7
95.08579	2.3
101.65929	2.5
107.04941	7.8
107.08580	2.6
111.04432	5.1
113.23798	2.6
121.02867	18.4
121.06513	2.8
123.04440	2.9
125.05975	5.9
126.97810	2.6
133.27159	2.5
134.26054	2.8
135.08066	3.8
144.05733	3.2
147.08034	4.7
149.02307	3.1
152.06149	3.5
153.05458	5.3
153.06908	2.7
159.08061	5.2
161.05891	3.1
161.09637	3.4
165.07001	7.3
167.07181	5.4
167.08548	6.5
169.06480	4.0
178.07826	3.3
181.04944	27.5
181.06531	7.8
182.07205	3.2
187.07570	3.8
191.08617	4.3
193.16071	3.0
194.07249	3.8
195.08076	15.2
197.05904	9.1
197.09619	4.7
202.07893	3.0
207.08049	4.3
209.05997	5.3
209.09573	5.2
209.34686	2.7
210.06720	13.3
211.07516	8.1
212.08295	7.1
220.08812	4.2
221.05946	4.8
221.09654	16.1
222.06813	6.3
222.10359	5.7
223.07491	13.3
224.08340	9.0
225.09138	8.3
226.06195	3.0
227.06987	9.7
227.10757	2.7
235.07533	6.3
237.09102	10.9
238.06245	7.1
238.09845	8.8
239.06995	9.4
239.10597	3.3
240.07738	23.4
241.08612	3.6
249.09117	12.0
250.09821	3.4
251.07001	9.8
252.07713	9.4
253.08582	42.2
253.12164	15.3
255.06558	8.1
255.10127	11.8
257.08020	13.0
265.08615	7.9
266.09253	10.0
267.10132	7.3
268.07309	8.8
269.08112	24.8
270.08917	3.4
281.08133	8.9
281.11719	13.0
282.08798	5.0
283.06296	5.4
283.09653	22.5
284.10306	4.8
297.07541	8.9
298.08319	10.8
298.11719	3.6
299.12756	15.7
300.09982	23.1
309.11212	11.0
310.12024	3.7
311.09103	3.2
313.10672	100.0
313.14328	63.9
314.02515	2.9
326.11459	5.5
327.12241	62.0
331.15399	23.5
341.09946	4.1
341.13849	52.9
359.14865	74.6
373.99380	3.2
378.26950	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	359.1487
Annotation	Negundin B
Peak:m/z	Relative Intensity
65.03930	8.6
67.05500	3.7
69.03394	2.6
69.07058	4.4
71.09840	4.4
71.10175	5.2
79.05468	3.6
80.69324	2.1
81.07069	4.3
84.04513	2.5
84.79794	2.1
86.89121	2.9
91.05470	6.2
93.07063	3.1
95.04973	4.3
95.08614	4.3
98.20896	3.1
105.07055	3.7
107.04955	3.9
109.02888	4.2
110.03693	3.3
110.54171	2.5
111.04437	7.4
115.05501	3.1
121.02884	23.1
121.06484	5.9
125.06012	5.2
131.04854	2.4
135.08046	4.9
141.06937	4.3
144.05713	3.6
145.06560	3.8
146.07265	2.7
149.02350	4.2
153.06955	4.2
159.08044	8.6
161.09659	5.9
165.06984	7.6
167.07056	8.3
167.08609	7.1
169.06454	4.9
173.06091	2.7
177.06947	3.1
178.07727	4.8
179.08531	3.5
181.04962	32.8
181.06482	8.5
182.07274	7.8
183.08073	4.9
187.07581	3.6
193.06461	3.5
193.10056	3.2
194.07285	8.6
195.08069	17.4
197.05959	17.0
197.09648	4.1
199.07634	5.4
202.07887	2.9
205.06577	3.3
206.07248	5.2
207.08109	4.9
208.09027	3.3
209.06041	3.9
209.09718	4.8
210.06750	9.3
211.07587	9.2
212.08307	5.8
219.08066	3.5
220.08774	3.6
221.05960	3.0
221.09636	16.1
222.06783	4.9
222.10345	4.1
223.07570	20.2
224.08290	7.9
225.05490	6.4
225.09090	11.2
227.06982	11.6
227.10637	4.6
234.06674	3.3
235.07623	4.1
237.09129	15.4
238.06258	8.3
238.09952	10.0
239.07024	13.2
240.07845	27.8
241.08574	5.6
249.09071	11.0
250.09854	3.7
251.07072	9.7
251.10655	4.0
252.07965	8.6
253.08630	57.5
253.12146	18.3
254.09261	8.3
255.06557	10.1
255.10182	13.0
257.08075	11.0
265.08594	8.6
266.09412	8.5
267.06711	4.5
267.10153	7.9
268.07327	8.4
269.08127	21.1
270.08810	6.9
271.09564	3.5
281.08109	12.3
281.11734	14.6
282.08789	5.0
283.06418	4.6
283.09680	26.6
284.10468	9.5
285.07712	5.2
285.11176	3.3
295.09720	5.3
297.07581	8.9
297.11172	3.1
298.08337	11.2
298.11722	3.8
299.12854	18.2
300.09930	28.2
309.11209	11.1
310.12033	4.4
313.10715	100.0
313.14374	69.9
314.11108	4.0
314.14734	3.6
326.11572	10.7
327.12259	79.1
328.12924	5.8
331.15347	28.6
341.09949	4.1
341.13867	60.2
359.11346	3.0
359.14908	84.0
359.19388	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	358.9984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.4
56.96562	33.5
57.14728	3.2
58.50352	3.1
63.76529	3.0
68.05020	3.9
69.03436	5.3
70.06579	5.0
71.56618	9.1
72.07681	3.7
83.60378	3.3
85.02908	5.5
97.02905	17.5
98.97578	24.7
109.02871	5.9
113.07516	3.5
114.05530	13.7
116.98608	46.7
119.01917	12.0
119.12942	3.3
121.01672	5.6
131.01866	3.4
134.99667	49.2
137.02988	6.3
142.08679	4.0
146.99655	8.8
153.00768	16.2
154.94202	11.7
158.97231	21.1
158.99722	3.9
172.95230	40.1
175.98616	4.4
176.98273	33.7
177.00948	8.6
178.01045	4.9
179.00768	10.6
179.45422	3.8
184.98773	8.8
190.96416	22.6
192.98749	7.6
196.98814	6.5
198.41203	3.9
198.98506	4.5
200.98289	29.8
202.99890	14.7
208.96597	3.9
214.96304	15.5
214.99825	18.5
215.12602	4.1
216.98862	6.6
218.99074	3.7
219.02055	16.3
221.01855	6.1
224.98347	7.3
232.96587	14.4
234.96443	4.3
234.99832	11.2
238.96423	6.1
250.97603	8.4
256.97455	14.7
258.99756	5.4
261.00348	5.2
261.03098	11.2
262.03281	4.2
263.03015	6.7
272.95599	3.8
274.97565	9.8
276.92093	12.4
277.00812	10.2
281.98306	4.9
292.98572	5.0
294.93167	21.0
298.98254	6.3
302.01785	4.9
303.01526	100.0
316.95547	5.6
316.99219	20.2
321.02625	15.6
334.96384	8.4
335.00470	17.4
335.04520	4.2
336.94098	13.9
343.02344	6.5
358.99951	9.4
359.04050	51.4
377.06046	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	359.0758
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
54.09277	0.9
58.64372	0.6
59.55894	0.8
60.15836	0.7
88.42374	0.7
98.20782	1.6
100.72136	0.7
145.06503	1.1
147.96410	0.7
155.04921	1.1
156.20099	0.7
170.86194	1.0
171.04369	0.9
185.05942	1.8
194.16824	0.8
198.03087	1.1
199.03949	1.3
211.03931	1.3
213.05496	2.6
214.02451	0.8
217.05011	0.8
226.02606	1.1
227.03296	2.4
229.01259	0.7
229.04941	1.5
231.85390	0.7
241.01256	2.0
241.04869	1.3
245.04434	2.0
247.41393	0.8
255.02855	2.1
257.04413	3.2
269.00903	4.1
270.01608	3.4
271.02350	1.8
273.03964	2.9
282.01617	0.9
283.02448	1.1
284.03201	2.4
285.03909	7.1
286.01120	8.9
287.01776	1.4
299.05505	3.2
300.02792	1.4
300.06210	1.2
301.03412	6.4
313.03348	9.1
315.05017	3.0
326.04138	1.5
328.05792	15.9
329.02905	16.1
329.06519	1.4
330.03323	1.3
343.04333	3.9
344.01035	1.3
344.05231	24.4
359.07596	100.0
360.07834	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.09
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	11.7
56.96571	32.1
57.03436	9.5
61.02915	10.5
69.03432	27.6
69.67917	39.4
70.06575	7.0
71.04993	5.2
73.02876	7.1
74.46131	5.3
79.01869	7.9
79.05460	6.2
81.03394	13.6
81.07056	6.4
83.04988	10.2
84.11792	5.0
85.02899	51.9
86.06055	6.6
86.95256	5.7
91.05467	8.8
97.02889	32.8
98.03249	6.5
98.97581	31.0
99.04443	9.9
107.44785	5.8
109.02870	11.6
116.98625	22.0
119.01886	10.5
120.08121	17.8
127.03926	22.3
128.98601	12.3
134.99661	15.7
137.05994	7.1
143.03400	8.8
145.03380	5.5
146.99666	19.4
149.01135	5.8
153.00606	7.0
153.01836	100.0
153.03008	10.9
154.02138	7.7
157.03372	6.0
158.99605	6.7
161.01248	11.8
161.02960	9.5
165.00639	8.1
168.49213	5.3
170.30304	5.4
173.02950	9.7
177.00674	13.8
178.04965	5.7
178.08701	17.5
179.46399	5.7
188.07600	6.1
189.00757	15.2
190.08693	6.8
196.03667	86.7
196.06181	51.5
196.09715	24.5
212.07672	9.5
219.01741	8.9
237.02763	14.7
247.03024	6.0
253.98099	5.5
259.02631	6.7
263.00769	8.1
275.01746	8.9
277.03262	16.4
285.00201	7.8
303.01300	44.9
304.01688	7.6
358.08685	95.8
358.15869	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	358.1496
Annotation	Bakankoside
Peak:m/z	Relative Intensity
53.03940	1.0
55.01864	1.5
56.96565	9.8
57.03433	2.7
59.05000	0.6
59.26625	0.7
61.02907	2.8
62.15969	0.9
67.05489	1.3
69.03420	6.1
70.06577	1.2
70.67585	2.5
71.04991	1.5
73.02917	2.2
74.46317	0.7
79.05487	1.2
81.03410	4.1
83.04962	1.4
84.08146	1.2
84.96039	1.3
85.02901	11.3
86.03223	1.7
87.04477	1.0
91.03968	0.8
91.05424	1.0
97.02879	6.3
98.03270	0.9
98.97569	5.7
99.04443	2.6
103.05469	1.1
104.81927	0.8
105.07033	2.1
107.04947	3.2
108.08111	3.2
108.42635	0.8
109.02871	2.4
110.97556	1.5
114.05589	0.9
115.05503	1.0
115.47710	0.7
116.53751	0.7
116.98616	6.6
117.05747	3.2
119.01917	2.3
122.05998	1.7
122.09591	1.2
123.06800	8.1
124.07596	1.4
125.02336	1.0
127.03914	3.7
128.98636	1.7
131.00114	1.0
131.01913	0.8
132.08060	3.0
133.05235	1.3
134.06021	4.5
134.99643	3.4
136.07588	9.8
138.05486	2.0
143.00168	1.6
143.03314	1.3
145.03445	1.0
145.04964	1.7
146.99651	2.7
147.06783	1.8
148.07550	11.5
149.01225	1.4
150.05464	2.5
150.09122	10.6
152.07074	6.4
153.01837	5.9
156.97502	0.9
157.03448	1.5
158.99678	1.2
160.07574	26.1
161.01242	1.7
161.02957	1.2
162.05435	0.9
164.07010	1.0
165.00746	1.0
166.08669	4.7
173.02945	1.7
177.00742	1.7
178.08632	60.4
179.03429	1.5
189.00696	2.4
191.03780	1.0
195.08542	1.1
196.06039	18.3
196.09689	100.0
196.54691	0.9
197.03023	0.7
197.06580	1.1
197.10028	0.9
201.00716	2.3
203.02135	0.8
205.05502	1.0
207.01782	1.0
208.05469	0.8
219.01776	2.7
221.05234	1.6
237.02771	3.8
244.99759	1.0
245.05058	2.2
248.99170	3.0
249.02776	0.9
255.06268	0.8
261.02853	2.1
262.02823	0.7
263.00772	2.9
267.00204	2.6
267.03949	0.8
277.03256	1.1
279.03787	1.0
303.01300	1.2
311.09610	1.0
329.10516	1.0
340.11908	0.9
358.11032	4.6
358.14941	34.1
359.14685	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.7
53.32645	1.4
55.01865	3.4
56.96558	2.2
65.03938	1.5
69.03425	3.4
71.57372	2.6
73.45248	1.5
77.38900	1.3
79.01822	2.1
79.05468	3.2
81.03403	4.8
81.61864	1.4
85.02908	3.3
89.03864	1.5
91.05795	4.5
93.05437	1.5
93.07042	2.3
97.02860	2.0
97.06516	1.4
99.00796	3.4
107.04959	2.5
109.02858	6.8
110.06090	1.8
111.04469	3.7
116.98515	1.4
117.03393	2.4
119.04919	4.4
121.02847	2.7
131.04901	4.6
133.02827	6.0
135.04430	8.9
137.02339	8.3
137.05971	4.7
139.03883	3.5
145.02827	1.9
147.04375	9.4
149.02364	4.0
151.07492	1.9
153.01831	8.5
153.97183	1.5
157.02820	1.9
159.04384	3.6
161.94633	1.5
163.03859	11.5
165.01831	15.6
165.05437	2.6
167.03415	10.7
167.06999	2.3
175.03908	8.6
177.01830	4.9
177.05400	3.1
179.03413	5.4
179.10663	2.5
181.01241	2.5
183.02858	12.9
191.03387	31.3
193.01335	20.7
193.04930	2.9
194.01787	1.5
195.02864	11.1
195.11339	3.5
203.03386	59.2
204.03632	1.9
205.01288	5.7
205.04889	7.2
207.02846	4.1
209.04401	2.6
211.02362	4.2
219.02882	77.3
220.03227	2.1
221.00851	13.6
221.04425	5.5
223.02354	10.7
229.01353	2.4
231.02856	11.6
232.02998	1.6
233.00778	8.8
237.04010	2.6
239.01917	7.8
247.02370	100.0
248.02708	3.6
249.03908	10.7
257.00571	2.6
265.03326	17.1
269.05603	1.5
275.01846	50.1
276.02234	2.0
277.03384	2.5
293.02908	76.7
294.03281	3.9
303.01291	6.7
311.03674	1.7
321.02356	15.5
339.03458	17.9
357.06161	1.4
357.15512	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	357.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
62.69769	1.7
69.03407	1.6
71.56471	1.9
73.51674	1.6
79.05487	2.0
83.04963	1.9
89.25925	1.6
91.05817	14.6
119.01919	4.6
120.08083	2.7
122.92404	1.8
135.04396	1.9
137.06001	2.8
139.03868	2.2
147.04428	2.8
148.11168	2.5
149.11543	3.8
153.01796	8.3
159.73189	1.6
161.28822	1.6
163.03850	3.9
165.01778	4.1
167.03386	3.4
172.61902	1.4
174.99152	1.5
175.03876	2.0
177.05225	20.1
183.02989	2.2
191.03363	7.6
193.01334	4.4
193.04932	2.1
195.02925	5.2
195.06371	3.5
203.03394	11.2
203.05284	7.5
213.06010	2.5
219.02893	15.5
221.00778	3.1
221.04491	1.9
223.02373	3.2
225.06085	9.4
231.02843	3.2
233.00867	2.3
237.05995	2.6
243.81837	1.7
247.02336	21.4
249.03975	3.4
265.03452	4.8
270.97650	3.0
275.01776	14.0
287.00623	2.6
293.02936	11.7
301.22241	1.8
321.02405	3.5
339.03461	3.4
357.07193	4.3
357.11517	100.0
358.11850	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07658	5.3
55.05510	38.8
57.03423	7.2
57.07071	13.7
60.76102	4.9
67.05502	71.3
69.07069	28.8
70.06584	21.2
71.06912	7.4
71.18781	9.1
73.04738	5.8
79.05474	21.5
81.07049	63.5
83.08607	22.4
88.07616	18.1
91.05780	31.0
93.07041	28.0
94.34544	4.9
95.08602	52.6
97.06545	8.9
97.10168	13.1
105.07013	11.5
106.08682	11.0
107.08587	16.9
109.10125	28.4
114.07459	7.6
119.08601	8.6
121.10127	15.7
123.11698	14.3
133.10107	15.0
137.13268	7.0
147.11743	10.7
149.13161	6.5
161.13261	10.0
163.03891	7.0
163.14783	6.0
245.22621	18.9
263.23837	25.9
268.97873	9.5
285.01007	11.5
337.27274	8.9
355.33951	100.0
356.99698	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	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73616	5.4
55.05506	27.9
55.85289	4.9
57.03425	11.5
57.07091	9.8
63.69697	5.3
67.05502	84.0
67.70878	5.1
69.07078	49.5
70.06602	8.1
71.08632	5.7
71.58176	7.4
73.04751	7.1
79.05494	34.9
80.05824	5.4
81.07057	100.0
82.07379	7.9
83.08630	35.3
85.13014	6.0
88.07626	15.4
91.05344	7.9
91.05784	24.1
93.07050	33.7
95.04967	4.9
95.08614	73.3
96.08942	6.1
97.06500	7.2
97.10152	16.0
105.07019	17.8
107.08570	28.1
109.10179	41.7
111.11725	6.3
114.07371	4.8
119.08577	16.1
121.10125	23.7
123.08101	5.4
123.11710	17.9
131.08553	5.1
133.10144	17.2
135.11682	17.6
137.13246	11.1
147.11671	11.2
149.13266	12.1
151.11119	5.2
160.91249	5.5
161.13246	13.8
163.14775	7.0
175.14911	5.7
177.16475	6.4
245.22620	39.6
245.65146	5.5
263.23727	27.3
268.97845	11.9
285.00931	11.7
337.27316	20.8
355.06964	8.7
355.27966	6.7
355.29410	9.2
355.33994	92.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01861	1.1
56.96552	2.7
57.03429	1.4
61.02921	1.9
65.24231	0.7
66.32343	0.7
67.05522	0.8
69.03423	5.1
71.57121	1.0
71.57545	1.0
73.02895	1.3
73.04721	1.3
79.05490	5.5
81.03403	2.5
83.05003	1.1
84.04525	0.7
85.02901	7.6
87.04464	1.6
91.05405	2.5
91.05782	6.5
92.05723	1.6
93.07058	0.8
94.06564	0.7
95.04949	2.3
97.02903	3.2
98.97572	2.0
103.05458	4.1
105.07026	5.4
107.04976	3.4
108.05263	1.9
109.02847	1.6
109.06468	0.7
114.07315	0.8
116.98589	2.1
117.05756	13.6
120.08105	3.3
122.06049	0.9
123.06783	1.4
127.03897	1.8
130.06503	1.9
130.97861	0.6
131.04866	1.2
131.07217	1.8
132.08093	15.2
133.05238	7.8
134.05893	1.1
134.99628	1.5
135.04401	2.4
136.04723	2.3
136.07559	0.7
137.08344	2.9
138.05513	1.4
139.03822	1.0
147.06783	3.1
148.07567	43.1
148.11212	7.9
149.07965	1.0
150.05505	7.9
150.09166	1.4
153.01810	6.7
153.05429	2.1
154.05824	2.2
159.06401	0.7
160.07568	9.3
162.99144	0.8
163.03906	1.2
164.04291	0.9
164.07086	2.2
166.07239	0.6
166.08638	13.3
168.05504	0.7
176.07062	54.0
177.05826	1.3
177.07452	1.1
194.08119	44.9
194.11803	3.0
195.08612	0.7
203.03532	0.7
237.02882	1.3
247.02278	0.8
268.97620	0.8
269.97800	1.3
270.97916	0.9
286.01044	2.1
338.12320	1.8
341.74380	0.7
356.13382	100.0
357.13840	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
54.51918	1.4
55.01873	3.5
55.05276	2.1
55.05512	31.6
56.96555	2.0
57.03431	4.3
57.07073	12.0
59.04987	4.7
65.03932	1.6
67.05499	35.3
69.03427	10.4
69.07069	78.2
71.04988	6.0
71.08619	2.6
75.17789	1.5
79.05490	18.8
81.03429	10.3
81.07054	100.0
83.04974	8.8
83.08621	26.2
85.02894	3.7
85.06536	15.5
91.05376	16.6
93.06475	2.9
93.07043	49.6
95.04994	10.0
95.08605	71.5
97.02883	2.8
97.06526	11.8
97.10165	8.9
99.04469	9.0
99.08087	5.0
101.05990	2.0
103.05465	1.9
105.07030	45.1
107.04929	2.5
107.07875	2.4
107.08594	45.7
109.02888	2.0
109.06525	14.2
109.10148	49.1
111.08089	8.6
111.11710	11.0
113.06031	2.2
115.05460	2.8
115.07599	1.8
117.05491	2.3
117.07034	5.5
119.08578	25.8
121.06508	2.5
121.10135	27.9
122.11957	1.7
123.08060	13.7
123.11716	27.8
123.63821	1.5
125.09634	3.0
125.13239	2.2
127.03918	3.8
127.07541	10.4
129.07008	2.9
131.04922	2.6
131.08549	7.3
133.06502	2.4
133.10126	26.4
135.08023	4.0
135.11696	35.5
137.05948	7.3
137.09593	6.0
137.13258	22.1
139.07524	3.2
139.11157	6.4
141.06961	1.6
143.08563	3.3
145.10085	9.0
147.07986	2.5
147.11681	53.8
149.09631	5.8
149.13258	25.7
151.03899	1.9
151.07571	2.3
151.11168	32.0
151.14790	3.9
153.09065	3.1
153.12743	10.2
157.06383	1.7
157.10094	6.8
159.11714	9.6
161.05902	2.1
161.09566	2.1
161.13264	16.8
163.11159	4.2
163.14828	8.6
165.07100	2.4
165.09026	2.3
165.12733	17.7
165.16368	2.1
167.07037	4.4
167.10713	1.8
167.14297	4.3
169.12343	2.5
170.63382	1.7
171.11697	6.3
171.13734	2.6
173.13248	4.1
175.07536	9.8
175.11191	12.6
175.14815	4.0
177.12781	4.3
177.16367	3.1
178.07741	3.1
179.08508	2.9
179.10657	4.7
179.14314	3.0
179.17924	2.5
181.12218	3.7
185.13344	2.7
189.06993	2.0
189.12703	4.7
189.16322	2.0
191.08540	2.0
191.14250	2.1
191.17973	2.9
193.08580	3.0
193.12227	28.8
195.13840	8.0
199.14856	2.4
201.05466	2.0
201.16335	2.7
203.17870	6.2
205.19562	3.0
207.08008	2.9
207.13762	7.6
209.15352	4.0
209.18985	2.2
211.13315	2.0
213.16383	2.5
219.07983	1.6
220.05130	2.1
221.19017	2.7
227.17838	1.8
229.14348	14.1
229.19707	1.9
235.07561	5.4
237.05426	1.9
237.18419	2.2
243.21153	1.7
249.18564	2.3
250.06322	1.8
251.07036	2.7
252.07764	2.6
262.06494	2.1
263.06961	4.8
263.20172	1.9
265.04813	2.0
265.08423	2.0
267.10049	2.7
268.97778	3.4
269.29437	1.9
280.07294	2.7
283.24146	5.4
285.00928	4.1
291.26740	3.4
293.08084	2.2
295.09744	5.4
301.25253	10.4
319.26318	50.6
320.26605	2.5
323.09030	4.2
323.12598	2.2
327.12247	3.1
337.10651	2.8
337.27347	34.2
355.07367	3.4
355.11682	17.9
355.15497	4.0
355.22098	1.9
355.28604	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	5.3
55.05314	3.5
55.05509	43.7
57.03428	11.2
57.07061	13.9
65.03927	5.2
65.23941	3.3
67.05174	5.1
67.05505	67.2
69.07076	46.6
70.06567	4.3
71.08631	5.1
71.57954	4.7
79.05489	22.7
81.07053	100.0
83.08619	31.2
85.06561	6.7
86.44441	3.7
91.05395	21.5
93.07045	35.2
95.08602	97.7
96.98919	3.6
97.06512	10.6
97.10158	22.2
99.08116	4.9
105.07010	14.0
107.08603	23.8
109.10176	40.8
111.11694	5.9
119.08558	12.5
121.10138	31.7
123.11722	20.4
131.08534	6.1
133.10141	20.1
135.11717	19.5
137.13257	9.4
147.11676	13.7
149.13252	12.4
151.14833	4.5
159.11720	5.5
159.84912	3.4
161.13214	13.2
163.14781	11.2
165.16353	5.7
173.13177	3.9
175.14853	11.0
177.16531	4.0
181.99719	4.3
189.16405	4.6
229.07397	4.8
245.22578	36.1
247.08446	6.5
263.23679	46.3
337.27542	28.4
338.33859	5.3
355.25958	7.4
355.34009	6.0
356.35190	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	355.2839
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
55.05507	39.9
57.03444	20.9
57.07072	17.1
63.16972	3.2
67.05502	69.6
67.14590	3.7
69.07069	51.4
70.28295	7.1
71.04982	3.3
71.08626	4.0
79.05486	25.6
81.03383	4.1
81.07052	100.0
83.04984	4.2
83.08607	39.1
91.05378	19.0
93.07044	40.2
95.04977	4.3
95.08607	79.4
97.06526	10.2
97.10162	24.9
98.20844	4.8
99.08105	5.1
102.23902	3.5
105.07018	23.4
107.08598	22.3
109.10152	49.8
111.08082	5.9
111.11734	10.1
119.08565	18.2
121.10120	30.5
123.11652	22.7
123.74727	4.4
125.09644	4.1
129.05473	4.9
133.10118	18.0
135.11684	19.9
137.09630	3.9
137.13232	10.8
145.10141	4.0
146.22243	3.5
147.11696	11.8
149.13257	12.3
151.14806	9.7
161.13268	17.3
163.14806	17.3
165.16425	6.4
175.14893	11.7
177.16507	3.9
179.18062	7.5
181.15909	5.1
189.16414	8.6
228.58861	3.4
245.22656	35.5
257.95297	3.3
263.23691	42.7
285.00803	5.9
303.45541	3.4
314.05078	3.4
337.27271	25.2
342.89728	3.1
355.28546	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	355.1725
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
55.05502	2.3
61.66808	0.5
67.05505	0.7
69.03418	1.9
69.07059	0.7
71.57560	0.6
71.57948	0.9
73.04756	0.6
73.06560	6.1
79.05487	1.2
81.03400	0.7
81.07057	1.0
83.08630	0.7
85.02908	0.9
85.06527	0.7
85.80090	0.6
91.05839	3.9
91.86478	0.5
93.07032	2.2
95.04974	1.3
95.08611	1.4
95.55521	0.6
101.06017	6.3
103.05471	0.5
105.07066	0.9
107.08594	0.6
109.02854	0.7
119.08603	0.9
121.06541	0.6
121.10165	0.6
133.10179	0.7
137.05959	0.7
146.05940	1.2
147.11646	0.7
153.01816	1.1
167.07011	1.0
175.07611	0.7
178.05359	0.6
200.75063	0.5
203.05289	1.0
228.21849	0.5
240.57979	0.5
255.54506	0.7
268.97906	0.9
285.00885	1.5
323.08942	0.7
355.17270	100.0
356.07629	0.7
356.17642	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	7.7
55.01865	7.8
55.05506	25.7
57.03421	15.9
57.07073	5.4
59.04988	7.5
59.66964	4.0
61.02909	6.8
67.05502	47.7
67.29745	4.3
69.03141	4.3
69.03432	48.5
69.07078	22.2
69.99795	4.1
70.87140	14.6
71.04977	7.9
73.04728	4.3
79.05477	21.2
80.18082	3.9
80.63191	4.4
81.03410	21.0
81.07057	46.1
83.04978	88.2
83.08609	6.5
85.02910	44.6
85.06514	4.2
91.05389	9.6
91.05859	9.5
93.07029	32.5
95.04954	44.3
95.08595	35.6
97.02883	16.8
97.06499	6.5
99.04459	12.3
103.03925	6.2
105.07023	25.1
107.04948	10.8
107.08605	27.6
109.02853	7.0
109.06501	23.7
109.10147	53.2
111.04425	8.7
111.08086	5.8
117.07009	13.8
119.08572	28.1
121.06499	8.2
121.10136	21.9
123.08092	7.5
123.11696	6.4
127.03912	24.2
129.06978	4.6
131.08522	12.1
133.06464	6.2
133.10088	17.6
135.08023	23.7
135.11687	15.3
137.06021	28.6
137.09613	100.0
143.08565	5.9
145.04958	10.8
145.06403	4.0
145.10146	16.1
147.11710	6.0
149.06017	6.3
149.09645	10.5
151.07509	6.6
155.10612	12.5
157.10121	8.3
159.08037	5.1
159.11745	4.4
161.09630	12.7
163.07390	5.1
165.09041	6.7
165.12685	5.4
167.06979	9.2
171.11760	5.3
173.09613	6.4
173.13280	7.4
175.14821	10.1
179.10687	16.2
191.10707	5.2
193.15865	40.9
194.15273	4.9
221.11740	4.9
264.69873	3.9
270.39343	5.0
285.00797	6.3
299.14804	7.3
309.62744	4.2
319.19238	5.4
337.20148	6.0
355.00827	14.9
355.21167	21.9
356.21255	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	355.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73367	2.8
66.11771	2.7
70.12366	2.8
73.04752	5.5
87.59378	2.5
89.03909	7.8
89.72066	2.6
91.05811	18.7
93.03667	2.8
98.20754	9.0
107.04978	4.8
117.03359	8.6
135.04446	24.8
143.18646	2.8
145.02820	12.3
157.62495	2.9
160.57866	3.1
163.03911	100.0
257.34183	3.0
268.97815	4.8
285.00854	8.3
355.06958	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	355.1723
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
50.98040	0.7
55.05494	3.4
62.99031	0.7
67.05489	2.2
69.07056	1.3
69.45748	6.3
79.05512	1.1
81.07030	2.2
83.08614	3.6
85.06554	0.8
91.05392	1.6
91.05843	1.4
93.07042	3.5
98.21500	0.9
103.05447	0.9
105.07025	2.7
111.08089	1.4
117.06977	1.2
118.97754	0.8
119.08555	1.3
121.06510	0.9
129.07004	1.9
131.04941	1.6
131.08563	1.0
132.05615	1.0
133.10078	1.0
137.05998	2.7
147.08052	1.5
149.05989	1.0
151.07440	1.1
157.06557	1.0
161.05978	9.8
163.07524	1.9
165.09026	1.0
175.07544	7.4
189.09001	3.5
193.12292	0.9
194.85886	0.7
234.06729	1.0
249.09088	1.4
251.10545	0.9
252.18977	0.8
277.08713	1.4
277.12186	1.3
279.10178	1.5
311.12750	4.2
313.39221	0.8
325.16016	1.0
337.14417	1.2
355.17258	100.0
356.17578	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	355.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01864	1.2
55.05508	9.9
57.03437	1.0
67.05505	7.7
69.03426	2.0
69.07061	3.8
71.04987	3.2
71.57528	1.0
73.02908	2.8
73.04751	2.1
79.05486	6.6
81.03410	2.9
81.07056	6.9
83.04944	1.7
83.08620	6.3
84.08161	0.9
84.35746	0.7
85.02898	1.2
85.06537	3.3
91.05458	6.1
91.05848	4.1
93.07037	7.0
95.04980	2.2
95.08611	3.9
95.51795	0.7
97.06538	1.7
100.07616	2.5
100.11269	4.6
101.06026	3.1
103.05450	1.4
105.07038	6.9
107.04944	2.2
107.08585	3.7
109.02843	0.9
109.06508	1.9
111.04436	2.8
111.08074	1.2
113.65308	0.7
114.07349	0.8
115.05450	1.0
117.07031	3.9
119.04944	0.8
119.08592	3.6
121.06529	1.0
121.10160	2.0
124.97484	0.8
125.05957	0.9
127.03904	1.0
128.06252	1.0
128.07112	2.5
129.07016	2.9
131.04921	1.3
131.08583	2.9
133.06497	1.3
133.10147	2.5
135.08070	0.9
135.11696	1.1
137.05974	4.9
137.09651	1.3
138.89366	0.8
139.07599	1.1
141.06981	2.0
143.08562	2.3
145.06427	1.3
145.10127	2.7
147.08041	1.6
147.11670	1.5
149.09589	1.0
151.07597	1.4
151.11205	1.7
152.05101	0.8
153.01863	1.6
153.39133	0.9
155.08588	0.9
157.10017	0.8
159.08047	1.2
159.11711	1.9
161.05963	3.9
161.09628	0.8
163.07492	0.9
167.06976	3.7
173.09749	0.9
173.13255	1.5
175.07582	6.7
175.11151	4.4
182.15424	8.0
189.09123	2.0
193.04948	1.7
193.08562	2.5
193.12242	1.4
195.11646	1.0
201.03766	1.9
201.05385	1.2
210.14880	14.2
228.15921	2.0
234.06894	1.1
235.07451	1.0
253.92612	0.8
268.97858	1.8
277.08795	0.9
285.00955	2.4
311.12869	1.2
319.22723	3.4
323.09317	0.9
337.21140	2.2
349.71130	0.7
355.07632	2.1
355.17285	100.0
356.17599	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91923	0.8
55.05500	1.2
57.07069	5.4
64.60487	0.9
69.07067	1.7
71.02666	2.7
71.04957	1.1
71.08629	3.8
73.04754	1.7
74.06055	2.5
83.08604	1.1
88.07629	9.8
88.11266	1.4
91.05780	4.1
93.07053	0.9
102.09169	4.2
114.07333	1.0
116.10707	1.3
118.23578	0.9
144.13802	1.2
166.06720	1.0
173.58441	0.9
210.07794	0.9
284.29456	23.2
292.09265	1.3
354.37292	100.0
355.07126	1.2
355.37769	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	355.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37453	1.2
55.05525	1.4
56.40946	1.6
56.96604	1.4
67.05502	2.2
69.07052	1.5
71.04987	1.8
71.56445	1.5
71.56905	1.7
73.04757	5.1
79.05521	2.4
81.03426	3.1
81.07063	3.2
83.05003	2.0
85.02927	2.4
91.05829	27.0
92.42165	1.3
93.07038	3.4
95.04973	3.2
95.08607	2.7
107.08596	1.9
109.02888	2.0
119.04964	1.5
121.10191	1.8
123.04446	1.3
127.03942	1.7
133.02856	18.1
137.05923	6.6
149.05997	1.9
150.03160	2.7
153.01840	2.4
163.03920	1.5
165.05437	2.1
167.07014	2.2
178.02583	10.7
193.04964	100.0
205.12254	1.4
221.06189	1.4
268.97864	5.6
285.01028	8.3
286.57458	1.3
303.02017	1.8
355.07086	5.6
355.13553	8.6
355.17386	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1022
Annotation	ST077074
Peak:m/z	Relative Intensity
55.01861	1.8
56.96557	1.7
69.03442	2.1
69.90907	9.0
73.04748	6.5
79.05473	2.3
81.07072	1.5
85.02933	1.7
89.03918	2.6
91.05820	20.9
96.85252	1.5
97.02889	2.8
98.20763	1.6
107.04951	1.8
117.03394	4.6
133.02853	17.1
134.61972	1.5
135.04431	7.8
137.05991	5.1
139.75383	1.6
145.02852	3.8
146.99161	1.6
150.03139	2.1
153.01862	2.3
163.03906	44.5
178.02594	11.0
193.04973	100.0
268.97906	4.2
285.00903	5.5
303.02014	2.4
355.06708	1.9
355.14032	4.3
374.38593	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1022
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
50.15686	2.4
53.98575	2.4
56.38671	2.5
73.04749	7.2
75.81113	2.9
77.55633	2.6
89.03918	4.8
90.40658	2.6
91.05796	25.5
104.26979	2.6
117.03374	6.1
123.04333	2.6
135.04434	17.2
145.02812	10.9
147.80704	2.9
148.11177	5.2
155.55258	2.5
159.59058	2.4
162.36096	3.1
163.03911	100.0
164.04063	2.8
173.53081	2.9
202.76477	2.5
214.54840	2.4
257.47430	2.6
268.97897	5.7
285.01141	6.6
304.48941	3.0
322.15820	2.6
355.07068	4.4
356.64697	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1184
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
51.02390	0.3
54.40266	0.3
57.03447	0.4
59.36136	0.4
60.04597	0.3
61.02913	1.0
65.03950	0.4
67.05489	0.7
69.03430	1.7
69.07076	0.5
69.99847	1.8
71.93290	0.4
73.02901	0.5
79.05530	0.4
81.03384	1.1
81.07068	0.4
85.02895	2.4
90.17553	0.4
91.05374	2.6
94.06581	5.4
95.04956	1.4
97.02883	1.2
105.03381	0.4
109.02887	0.4
115.07565	1.7
117.05775	1.2
118.06550	6.9
119.04901	0.6
119.92520	0.4
120.08070	0.4
122.06038	4.8
127.03930	1.0
134.06046	0.8
136.07596	0.5
146.06010	15.6
147.06741	0.6
150.05528	1.3
153.01822	0.7
156.12617	0.3
162.05479	1.2
164.07065	8.6
171.45271	0.4
174.05510	100.0
175.05923	1.4
175.09613	1.0
176.07088	1.2
192.06558	53.9
193.04945	0.9
193.06853	0.8
294.09778	0.4
336.10822	1.1
354.11832	37.9
355.12265	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01879	1.7
55.05509	20.7
57.03428	4.9
57.07079	2.8
59.04995	1.9
67.05505	23.6
69.03429	4.6
69.06725	2.5
69.07065	31.5
69.30268	16.0
71.04975	4.4
71.08640	1.5
79.05489	15.5
81.03427	1.5
81.07058	100.0
82.07362	2.0
83.04996	6.8
83.08624	10.6
85.06543	7.0
90.71946	1.4
91.05474	10.8
93.07037	28.2
95.04970	6.0
95.08607	36.1
97.06520	6.4
97.10204	2.2
99.04446	2.1
99.08097	42.9
99.08765	2.5
103.05420	1.6
105.07027	42.7
107.04989	3.4
107.08589	27.0
109.06517	14.8
109.10155	39.0
111.08067	6.4
111.11761	2.9
115.07555	2.1
117.06992	1.8
119.08578	26.1
121.10130	15.9
123.08045	9.1
123.11707	11.7
125.05994	1.5
125.09616	2.4
127.07561	3.9
127.11198	5.0
128.06265	2.4
129.06999	1.6
131.08572	4.1
133.06519	2.6
133.10144	14.2
135.08066	2.4
135.11685	15.2
137.09607	8.1
137.13284	7.0
139.11139	3.3
143.08560	2.3
145.10149	8.8
147.11685	27.1
149.09624	3.4
149.13228	7.3
151.07556	2.0
151.11183	7.9
153.12756	2.5
155.10733	1.6
157.10146	2.1
159.11684	5.4
161.13266	39.7
163.11169	3.9
163.14832	7.4
165.12749	12.7
167.07019	6.6
169.10135	1.4
171.11658	7.2
173.13249	2.3
175.11195	2.5
177.12706	2.1
179.14355	9.1
181.12280	1.6
187.14857	1.7
189.12662	8.9
189.16385	2.3
191.07033	4.6
191.17921	3.1
193.12283	7.9
199.14874	1.5
201.16412	3.9
207.13797	26.9
207.17531	3.3
209.19078	2.6
218.07262	2.7
219.17496	4.8
229.14352	3.1
233.09651	2.1
235.07417	1.5
237.18442	16.5
243.15959	6.3
255.19580	4.5
261.09277	3.2
278.09155	2.7
281.22748	2.5
289.08600	3.2
289.25211	2.3
293.11786	1.7
299.23734	6.5
305.56567	1.4
317.24841	10.8
321.11227	7.9
322.11734	2.1
335.25806	14.8
338.11838	1.7
353.13608	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	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.01860	2.0
55.05511	19.3
57.03427	5.5
57.07060	6.2
59.04988	2.8
60.56733	1.4
60.67690	1.7
63.42630	1.7
65.03915	1.7
67.05504	22.7
69.03429	4.8
69.07063	25.3
69.43443	7.6
69.43873	6.6
71.04993	3.4
79.05490	17.9
81.03390	3.3
81.07054	100.0
83.04969	6.1
83.08614	8.5
85.06542	11.6
91.05446	9.2
93.07041	29.1
95.04955	6.8
95.08607	36.7
97.06536	7.8
97.10172	3.1
98.33438	1.4
99.08086	41.1
101.06037	1.8
105.07025	35.6
107.04939	3.0
107.08592	28.3
109.06513	13.8
109.10155	40.6
111.08107	7.4
111.11721	4.0
117.06972	1.9
119.04835	1.5
119.08569	29.9
121.06508	3.0
121.10146	21.9
123.08054	11.3
123.11719	11.6
125.09600	4.4
127.07533	6.0
127.11179	2.6
129.06952	2.3
131.04948	2.3
131.08559	6.4
133.06433	3.3
133.10117	15.4
135.08110	3.2
135.11688	17.2
137.09598	7.4
137.13251	6.8
139.07431	1.8
139.11159	4.0
143.08562	4.2
145.10115	12.3
146.68362	1.7
147.11670	21.3
149.09631	3.7
149.13252	6.4
151.07516	3.2
151.11186	12.0
153.12766	1.9
155.10576	2.1
157.10159	3.9
159.11710	7.5
161.09650	2.5
161.13258	46.7
163.11182	5.2
163.14804	5.9
165.12730	5.7
166.33694	1.7
167.07034	9.4
167.10709	1.4
169.10077	2.3
171.11638	8.7
173.13193	4.0
175.14932	2.3
177.12741	2.9
179.14320	9.0
181.12236	2.1
183.11716	2.0
185.13255	2.9
187.14851	1.9
189.12828	7.2
189.14227	1.4
189.16393	2.9
190.02902	1.5
191.07040	7.0
191.17943	3.3
193.12297	2.7
197.13312	1.7
199.07785	1.7
199.14825	3.7
201.16353	4.9
203.08565	2.1
205.15926	2.5
207.13800	27.7
207.17424	3.6
213.16351	1.5
218.07249	2.7
219.17447	5.8
225.14734	2.0
233.09500	2.2
237.18501	17.1
243.15807	9.2
255.19449	3.9
261.09213	4.6
263.06873	1.8
281.22504	1.7
284.57083	1.8
289.08521	4.5
289.25491	1.8
291.45663	1.4
293.11676	2.6
295.09500	1.6
299.23615	5.5
301.65179	1.7
306.08701	3.1
317.24738	14.5
321.11014	7.6
325.10760	1.8
325.14294	3.2
335.16815	1.8
335.25751	18.0
353.13690	10.3
353.28250	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	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23597	3.2
55.05497	13.6
57.03420	6.1
57.07059	7.3
67.05500	100.0
69.07068	11.7
72.94579	3.5
74.17038	3.8
79.05485	39.5
81.07053	96.4
83.08612	8.3
88.73608	3.5
90.07038	4.0
91.05469	24.0
93.07030	52.7
95.08604	79.7
97.10193	3.9
105.07037	17.2
107.07938	6.0
107.08593	44.9
109.10148	39.7
117.07036	7.3
118.55367	4.1
119.08546	11.5
119.91275	3.5
120.28566	3.7
121.10155	32.7
123.11715	23.8
131.08519	19.1
133.10152	13.5
135.11679	15.2
137.13249	7.3
145.10132	11.9
147.11655	9.2
149.13269	19.8
159.11697	15.0
161.13206	7.5
163.14833	10.1
173.13208	15.3
174.54634	3.8
177.16420	4.8
187.14804	8.3
243.21057	21.6
244.91830	4.1
261.22104	73.1
335.25848	5.8
353.26974	14.4
353.79611	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	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03949	3.6
55.05507	18.0
57.03445	5.3
57.07061	6.8
67.05504	99.2
69.07056	11.6
69.31294	33.3
71.05001	7.4
79.05485	46.1
81.07051	100.0
82.55865	3.3
83.08599	5.6
89.70861	3.0
91.05474	30.2
93.07037	65.5
95.04996	7.6
95.08597	72.6
97.06525	6.5
98.21621	4.7
105.07005	19.3
107.08588	36.0
109.10152	40.1
111.08909	3.1
113.54827	3.2
117.07021	7.6
119.08597	13.2
121.10134	35.0
123.11712	17.7
131.08615	26.2
133.10158	12.5
135.11661	24.8
137.13165	5.0
139.07510	5.0
145.10143	12.6
147.11687	11.3
149.13214	20.7
151.14804	5.2
157.67696	4.0
159.11705	14.2
161.13235	8.7
163.14850	14.6
173.13283	14.3
175.14764	3.5
177.16292	3.7
178.65707	3.7
187.14894	5.2
208.39919	3.5
233.22588	3.7
243.21049	20.5
261.22104	85.6
335.25821	7.4
353.26773	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	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03938	3.4
55.05516	11.6
57.03436	4.4
57.07057	4.6
63.42737	2.1
67.05505	92.7
69.07066	7.0
71.10685	2.6
71.11031	3.5
71.36890	1.9
79.05498	40.6
81.07059	100.0
82.08967	1.9
83.08604	4.7
85.06523	2.1
86.01325	1.9
91.05469	18.5
93.07043	56.0
95.04967	2.9
95.08611	67.2
97.06524	2.6
97.10152	3.5
105.07017	15.7
107.08606	29.5
109.10163	37.3
117.07010	7.8
119.08574	13.7
121.04152	2.2
121.10146	26.4
123.11718	17.3
131.08554	16.1
133.10136	10.8
134.08479	1.9
135.11700	25.4
137.13231	10.1
145.10107	13.8
147.11696	8.8
149.13268	18.7
159.11752	12.9
161.13275	7.4
163.14816	10.9
164.13254	1.9
165.12714	2.4
168.79362	1.9
173.13261	10.5
175.14743	2.7
177.16319	2.6
187.14857	6.7
201.16460	3.1
233.22583	2.5
243.21094	15.7
261.22147	81.3
279.23251	3.1
335.25690	8.8
353.26724	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	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05519	14.7
57.03419	7.1
57.07061	3.3
65.03931	3.2
67.05505	98.9
69.07075	15.8
69.90446	11.6
69.90858	6.7
79.05486	46.1
81.07054	100.0
83.08594	6.9
91.05472	18.5
93.07043	57.2
95.04958	4.5
95.08611	67.5
99.43166	3.0
105.07024	13.6
107.08593	38.1
107.21194	2.5
109.10161	34.3
113.60224	2.7
117.07002	8.1
119.08580	13.9
121.10146	25.9
123.11710	16.6
131.08536	17.3
133.10107	11.5
135.11678	25.9
137.13228	10.4
145.10132	17.0
147.11662	11.5
149.13237	15.7
151.14841	3.1
159.11678	14.2
161.13216	6.3
163.14819	11.2
173.13290	16.2
184.82933	2.8
187.14810	9.2
203.45345	2.7
215.29640	2.8
243.21114	15.7
261.22147	72.1
262.22571	3.0
279.23154	6.2
335.25677	5.4
353.26794	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	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03926	4.9
55.05512	20.5
57.07069	4.2
57.82041	2.9
67.05501	97.2
69.07057	16.1
71.58167	3.4
71.58569	5.6
79.05487	58.9
81.07056	100.0
83.08620	8.4
91.05485	27.0
93.07043	60.1
95.04963	4.7
95.08598	70.9
97.06503	4.6
99.08107	3.8
105.07053	21.5
107.08585	42.7
109.06522	4.6
109.10140	28.0
113.09595	3.9
117.07032	9.8
119.08577	17.0
121.10159	29.3
123.11705	13.9
131.08580	24.0
133.10107	14.5
135.11676	28.2
137.03465	3.2
137.13258	7.0
137.49663	3.7
145.10138	16.2
147.11781	8.0
149.13252	18.3
151.14803	4.3
157.10022	4.2
159.11676	15.6
161.13268	12.0
163.14836	15.0
173.13231	15.0
175.14731	4.0
183.11652	3.9
187.14793	11.2
233.22783	6.7
243.21094	23.6
261.22107	67.5
335.25912	3.8
353.06577	5.7
359.23666	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	353.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48959	0.6
50.84321	0.6
55.05501	2.1
65.03914	0.8
67.05503	4.5
69.07070	3.5
71.17463	1.5
79.05489	3.1
81.03406	1.5
81.07041	4.3
83.04971	0.7
83.08605	0.9
84.84225	0.6
85.06545	1.3
91.05480	2.2
93.07028	3.9
95.04974	1.9
95.08598	3.9
105.07027	3.3
107.04936	1.3
107.08574	3.3
109.02853	0.7
109.10174	3.4
115.05479	1.4
117.06947	0.9
117.44336	0.7
119.08569	3.2
121.06510	1.5
121.10125	2.0
123.08092	0.8
123.11688	1.6
131.04889	0.7
131.08534	1.0
133.10106	2.7
135.11694	2.3
143.04916	1.8
143.08582	1.0
145.10139	2.5
147.11707	1.4
151.11140	0.8
153.06999	0.7
157.10135	1.4
159.11659	2.5
163.11147	0.8
167.06998	2.8
167.08478	1.0
171.04410	2.4
171.11684	0.9
173.13184	0.7
177.06982	0.7
177.12767	0.9
178.07796	1.0
179.08595	1.8
183.11659	1.1
185.13211	0.7
187.03845	1.2
187.14854	1.1
189.06915	0.9
191.07066	2.2
191.10754	1.0
195.08101	0.8
199.03931	3.7
199.07672	1.2
205.06525	1.6
207.08153	1.3
215.03621	0.8
218.07240	1.1
219.07986	0.7
223.07695	0.9
227.03394	4.7
228.04260	1.3
233.05957	1.6
233.09657	1.4
235.07529	1.9
243.02863	1.8
251.07065	1.3
253.04922	0.9
255.02910	3.0
256.03693	2.8
257.04401	0.7
261.05606	0.8
261.08990	1.5
263.06949	1.5
269.04547	1.0
271.02472	1.4
279.06580	2.8
281.04453	1.2
283.02356	27.8
284.03119	15.4
285.03754	0.8
289.05148	1.3
289.08646	1.9
293.11627	1.6
297.03964	2.0
299.01883	18.6
307.06088	1.1
309.03876	2.6
311.01907	10.9
311.05270	1.1
312.02591	2.7
313.03384	1.0
320.03131	1.5
321.11115	3.2
323.01816	2.3
324.02603	2.0
325.03494	5.6
325.06921	1.2
337.03470	4.4
338.04257	2.1
353.06552	100.0
353.13849	4.1
353.24695	1.4
353.28439	3.6
354.06885	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	353.0843
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
56.96556	7.1
70.23212	9.6
70.23587	16.7
81.30829	5.0
85.02904	12.0
86.79404	4.4
98.21452	5.7
114.24922	4.2
128.98581	5.6
190.98589	7.2
206.28650	4.9
208.99564	5.6
232.99677	8.9
323.05167	5.0
353.08481	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92593	3.5
55.05502	19.1
57.03417	4.7
57.07077	8.5
61.04679	3.5
65.03934	4.1
67.05506	97.2
69.07074	18.1
70.71383	9.0
70.71738	5.3
79.05484	44.7
81.07051	100.0
83.04977	3.3
83.08624	10.1
91.05470	23.7
93.07043	61.1
95.04992	6.0
95.08607	63.2
97.06510	6.9
99.08079	4.1
100.01830	3.4
105.07036	19.4
107.08588	48.2
109.10162	44.0
111.08102	3.6
111.11700	3.8
117.07029	14.6
119.08573	20.0
121.10133	36.8
123.11711	21.2
131.08542	26.7
133.10117	13.1
135.11682	25.6
137.13269	5.0
145.10110	18.2
147.11688	9.9
149.13226	18.8
159.11691	13.0
161.13289	9.2
163.14806	13.5
171.88605	3.1
173.13222	20.4
175.14890	6.1
187.14804	13.1
211.40765	3.8
215.17877	4.0
243.20992	19.0
261.22147	83.8
335.25699	8.8
353.26913	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33217	3.1
55.05500	12.8
56.13226	2.9
57.03433	5.3
57.07069	7.6
66.92080	3.2
67.05502	98.7
69.07072	17.0
69.26545	33.9
79.05491	53.2
81.06581	5.6
81.07053	100.0
83.08622	8.2
88.10047	3.0
91.05474	26.2
93.07040	78.7
95.04974	5.0
95.08600	76.4
97.06545	3.8
97.10182	3.9
98.20674	5.5
99.08050	3.1
105.07037	21.2
107.08598	36.5
108.79718	3.2
109.10146	41.7
113.09650	3.2
117.07027	13.8
119.08575	18.7
121.10134	37.7
123.11718	23.7
126.12054	2.7
131.08578	22.6
133.10132	15.4
135.11679	33.7
137.09674	3.0
137.13266	8.0
139.11189	3.5
145.10133	20.6
147.11719	16.4
149.13235	23.5
151.11060	3.1
159.11681	17.0
161.13261	9.9
163.14807	16.4
173.13275	16.9
187.14830	11.8
201.16316	3.6
233.22618	5.5
243.21005	17.6
261.22131	94.2
279.23434	4.0
335.25748	7.2
353.26862	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.8
55.05517	3.7
62.61599	3.4
67.05478	4.9
69.03415	5.6
69.91026	14.4
69.91441	6.1
70.06549	4.2
72.33381	3.5
79.05499	4.7
81.03442	7.1
81.07048	8.9
83.04977	4.4
85.02917	29.9
91.05489	35.9
93.03409	7.6
93.07048	22.9
95.04960	16.6
97.02892	9.9
99.22095	3.5
109.06541	12.7
113.06000	3.7
119.04967	5.3
127.03941	6.6
127.07544	4.1
128.09901	3.4
137.05988	41.4
137.24789	3.7
145.01726	3.5
146.06026	3.9
153.01790	5.1
155.07037	100.0
190.14328	8.1
198.20535	3.6
198.87321	3.5
217.78877	3.3
295.89468	3.5
365.17303	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	352.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26505	1.0
55.05506	5.6
56.05034	45.8
56.98664	1.0
57.07075	1.7
67.05492	4.1
67.89210	0.9
69.03457	1.0
69.44639	9.9
75.98251	1.0
79.05506	1.4
84.04517	3.9
84.08143	35.7
86.09692	3.9
91.05471	1.8
101.82171	0.9
104.49956	1.2
105.07069	1.2
106.06570	3.8
110.28313	1.0
127.08675	100.0
128.09065	1.2
131.04881	1.0
141.06630	2.4
155.11812	3.5
167.07072	1.5
169.13364	47.9
191.06990	3.9
236.66953	1.4
246.12384	43.7
247.12793	1.6
249.09174	1.2
257.04370	1.0
288.17056	64.5
289.08563	2.0
289.17493	3.0
321.11096	1.7
352.12979	2.5
352.17935	1.0
353.06390	1.3
353.13846	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05388	1.0
53.03955	1.6
55.01867	1.8
55.05494	1.2
56.96574	6.8
57.03428	3.5
58.06599	20.5
61.02922	4.6
67.05502	2.4
68.25712	1.2
69.03430	13.8
69.07068	10.6
70.06586	4.8
70.10560	5.4
71.05006	1.7
72.08158	1.0
73.02900	3.1
81.03423	5.7
83.04972	2.0
84.04504	3.1
84.08134	1.7
85.02905	27.7
85.06544	1.7
86.09684	5.5
87.04465	2.8
91.03946	1.3
95.04993	1.5
97.02888	11.0
98.97585	10.3
99.04449	2.2
99.97923	1.4
103.03948	1.1
109.02879	4.8
111.04453	1.4
112.03983	6.0
116.98625	7.0
123.04437	2.1
126.12791	23.2
127.03942	6.6
128.98572	1.3
130.12262	4.2
134.99660	5.8
137.02386	2.8
144.13831	84.0
145.04959	3.5
146.99672	2.8
151.03961	1.7
153.01804	6.9
158.99637	1.7
163.03926	1.6
172.13354	7.6
177.00731	4.0
190.05292	5.1
190.14378	100.0
191.14803	1.5
214.14404	1.1
237.02814	2.9
292.07959	1.7
309.08679	1.3
310.09018	5.0
316.17612	1.5
323.97055	1.4
352.10251	5.0
352.19589	10.0
353.08344	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	353.0652
Annotation	SC-560
Peak:m/z	Relative Intensity
50.00331	0.4
54.90718	0.4
55.01870	0.4
55.05486	0.7
61.56697	0.3
65.22735	0.4
67.05494	1.6
81.03407	0.5
81.07056	1.1
83.04937	0.5
93.07040	0.5
95.08566	0.8
98.20715	0.8
99.04472	0.4
104.78990	0.5
105.07041	0.6
107.08559	0.6
109.10128	0.5
115.05459	1.2
115.78529	0.4
119.04919	0.5
119.08640	0.5
131.04915	0.5
133.10101	0.4
141.06955	0.7
143.04890	1.8
147.11603	0.4
152.04813	0.4
152.06146	0.7
153.07103	0.4
155.04843	1.0
159.04442	0.6
165.06998	0.7
167.07043	1.5
167.08473	0.9
171.04434	3.1
172.05153	0.8
177.07005	0.7
178.07756	0.7
179.08546	0.8
183.04460	0.6
187.03922	1.0
189.07007	1.1
191.07068	1.2
195.08076	1.1
199.03920	3.6
199.07695	0.4
200.04697	0.7
203.08522	0.5
205.06494	1.3
207.08026	0.6
209.02454	0.5
211.03818	0.6
213.05527	0.7
215.03349	2.2
217.01434	0.5
223.03868	0.9
223.07491	1.3
225.01785	0.8
225.05461	0.6
227.03397	4.7
228.04160	1.2
233.05974	1.6
233.09741	0.6
235.03970	0.5
235.07532	1.5
237.01788	1.1
237.05493	0.5
239.03366	0.8
240.04041	0.7
241.01263	1.1
241.05008	0.9
243.02925	2.6
251.06996	1.4
253.05017	1.3
255.02901	3.9
256.03613	2.7
261.05573	0.8
261.09067	0.5
263.07001	0.8
265.01447	0.6
267.02838	0.9
268.03656	0.8
269.04361	1.0
271.02341	1.9
279.03296	0.7
279.06564	3.2
281.04532	1.0
283.02359	28.3
284.03125	15.8
284.06351	0.5
285.03723	0.5
289.04840	1.2
289.08163	0.5
293.11777	0.6
296.03122	0.5
297.04016	2.0
299.01855	24.1
300.02246	0.6
307.05975	2.6
309.04086	2.0
311.01871	11.0
311.05197	0.7
312.02515	2.7
313.03366	1.3
320.03168	1.6
321.03882	0.6
321.11337	1.0
323.01825	1.9
323.05423	0.6
324.02390	3.3
325.03421	9.1
325.06839	0.8
335.05487	1.4
337.03400	5.4
338.04102	3.3
353.06543	100.0
353.23062	2.6
354.06857	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
63.41336	1.8
65.67226	1.8
66.40666	1.6
67.05508	14.1
69.03416	3.1
69.07066	6.0
70.16429	1.5
71.04993	19.2
71.57046	1.6
71.57418	2.3
79.05470	2.4
81.03390	1.6
81.07039	3.5
83.06049	1.9
84.04498	4.7
85.02890	8.0
85.06538	7.0
93.07031	3.9
95.04974	24.3
95.08607	1.9
96.04514	1.8
97.02882	2.3
98.23480	1.5
105.06994	2.9
107.08562	2.6
109.02903	2.3
113.06003	19.0
126.05518	2.5
127.03928	2.4
127.07575	3.5
132.05208	2.2
133.10146	2.3
141.05466	100.0
145.04922	2.3
155.07043	18.4
159.06512	14.6
160.06148	2.3
169.06470	1.7
172.07533	2.5
173.08067	27.3
182.08159	2.8
230.42140	1.8
353.15717	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43733	2.1
53.03928	4.6
55.01860	4.8
55.05510	22.0
56.96553	8.9
57.03424	8.2
57.07071	4.8
65.03928	3.1
66.33797	2.3
67.05171	4.0
67.05505	49.5
69.07069	15.0
71.04982	3.7
71.08624	3.4
75.04472	2.4
79.05492	63.5
81.07057	64.9
83.04987	3.7
83.08615	7.7
85.06558	4.8
91.05485	63.4
93.07043	84.5
95.04969	9.8
95.08611	44.8
95.87015	2.3
97.06536	6.7
97.10192	4.3
98.21510	6.3
98.76761	2.6
99.08097	5.7
105.07022	69.1
107.04980	4.0
107.08591	49.7
109.06502	11.5
109.10164	19.4
113.09677	3.3
117.06998	16.2
119.08576	60.1
121.06553	3.1
121.10144	35.6
123.08070	3.7
123.11655	4.0
129.07010	9.5
131.08545	23.5
133.10133	50.9
135.08084	4.0
135.11685	37.6
142.28635	2.3
142.83824	2.3
143.08513	12.4
145.10112	25.5
145.41132	2.7
147.11684	52.6
149.09538	2.8
149.13257	24.1
151.11194	3.6
157.10101	10.9
159.11664	18.9
161.13245	36.5
163.11157	2.8
163.14824	5.8
165.12695	11.6
171.11705	13.1
173.13283	13.1
175.11301	2.9
175.14783	15.9
185.13255	12.7
187.14738	3.6
189.12674	2.9
191.14314	3.8
196.56146	2.9
199.14893	7.6
201.16100	2.7
203.14290	3.5
211.88815	2.7
213.16394	4.8
231.21075	8.9
241.19489	30.8
255.09027	3.9
259.20575	100.0
260.20871	3.1
261.22321	3.8
267.08936	3.4
269.10471	5.7
277.14667	2.6
277.21640	10.8
285.10095	4.6
289.21591	7.3
333.24167	5.3
351.18472	5.5
351.25302	59.3
352.25943	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19066	4.3
53.03939	5.3
55.01873	70.2
55.05508	42.9
55.42233	3.1
56.96552	6.5
57.03426	20.7
57.07070	14.1
65.72564	3.1
66.92091	3.5
67.05503	65.8
69.07073	27.2
71.04973	6.1
71.08631	13.7
71.58308	7.6
79.05486	43.0
81.03408	5.3
81.07054	84.8
83.04984	15.3
83.08611	33.1
85.10174	17.0
91.05475	42.2
93.07037	62.2
95.04974	15.4
95.08601	56.6
97.06519	16.4
97.10175	6.1
99.08094	10.1
105.07024	39.9
107.04972	12.5
107.08598	31.6
109.06549	14.9
109.10162	20.8
111.08074	86.7
113.09665	19.9
117.07011	9.0
119.08573	29.2
121.06445	4.6
121.10153	30.5
123.08073	5.6
123.11710	7.7
125.09680	5.5
129.07072	6.1
131.08566	11.9
133.10143	36.4
135.11717	26.0
137.09586	5.2
137.43861	3.7
143.08563	5.6
145.10158	10.4
147.08057	4.7
147.11671	23.9
149.09680	8.3
149.13242	17.9
151.11200	12.9
153.12776	6.8
157.10114	10.1
159.11717	11.3
161.13181	16.4
163.11237	6.5
163.14891	7.2
165.12762	25.9
171.11758	7.4
173.13272	7.6
175.11162	6.6
175.14819	10.8
179.14325	8.7
181.12175	4.5
195.11673	3.4
199.14897	4.2
201.04733	3.6
217.19528	4.2
221.15388	4.3
231.21068	6.5
238.13795	4.0
241.19566	11.7
249.22122	18.6
257.69363	3.6
259.20581	29.6
277.21625	100.0
279.94913	3.9
289.21713	6.0
295.22607	10.0
351.25311	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.6
53.45631	1.5
53.67927	1.4
55.05288	2.1
55.05508	17.3
55.21707	1.6
57.03432	9.4
57.07069	2.9
67.05502	52.2
68.02629	1.6
69.07064	16.7
69.39786	13.3
69.40199	2.4
71.04987	3.9
75.04506	1.8
77.03954	2.0
78.32375	1.5
79.05490	67.9
81.03427	2.6
81.07054	59.2
83.04988	2.4
83.08639	8.2
85.02921	2.4
85.06544	4.6
91.04904	1.7
91.05478	60.7
93.07041	91.9
95.04962	9.8
95.08604	43.4
97.06515	3.2
97.10181	3.9
98.21527	3.2
99.08118	5.1
105.07027	64.9
107.08593	53.4
109.06536	3.1
109.10150	13.1
111.08121	1.7
113.09599	2.1
115.05457	2.5
117.07007	13.7
119.08576	64.1
121.10145	43.6
121.11018	2.7
123.08048	1.7
123.11680	3.6
125.09600	2.0
129.07019	9.4
131.08566	24.3
133.09111	2.7
133.10127	53.7
135.08028	2.2
135.11690	45.9
136.11938	1.6
137.09639	2.1
137.13225	1.6
142.07770	2.1
143.08551	9.8
145.10129	23.0
147.08067	1.9
147.11674	53.8
147.12799	3.0
149.09691	1.8
149.13246	29.3
151.11203	2.1
156.09261	2.2
157.10107	10.2
159.11667	25.8
161.09648	4.6
161.13252	43.6
162.13673	2.0
163.11185	3.4
163.14832	11.8
169.10196	2.1
171.11667	15.0
173.13231	12.6
175.11197	4.0
175.14813	22.0
177.12801	4.9
185.13271	18.4
187.14839	3.4
189.12805	3.2
189.16507	2.1
195.13901	2.0
199.14806	10.0
203.14348	2.5
213.16470	5.4
217.15738	2.5
217.19516	3.3
231.17464	3.6
231.21065	9.3
241.19508	42.5
242.19977	2.3
259.20557	100.0
260.20941	4.6
268.24554	1.5
277.18704	2.6
277.21606	15.5
333.24255	5.4
351.25311	49.7
352.25726	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	8.3
55.05499	31.5
57.03457	11.7
57.07071	7.0
61.02918	7.7
67.05505	92.3
67.38703	5.5
69.03387	5.3
69.07067	30.8
69.53693	49.3
70.11639	4.7
71.08622	57.7
71.42833	4.7
79.05489	68.1
79.06267	5.1
81.03422	9.1
81.07053	100.0
83.04981	15.6
83.08613	25.4
91.03956	7.5
91.05479	56.3
93.07043	88.2
95.04990	13.2
95.08606	61.3
97.02874	7.0
97.06506	12.7
97.10160	11.8
99.08086	43.9
101.51215	5.7
105.04471	6.5
105.06998	34.6
107.08602	42.6
109.10153	32.7
111.08143	8.9
113.09703	6.7
117.07012	8.2
119.08582	47.2
119.64207	6.5
121.10126	41.7
123.08074	6.5
123.11688	18.3
125.09655	6.6
131.08543	10.7
133.03502	7.5
133.10155	31.1
135.07950	6.4
135.11690	50.3
137.09572	8.7
139.90228	5.6
141.09076	6.1
144.51048	6.3
145.10121	17.7
147.11665	22.7
149.13261	23.1
151.11139	18.2
157.10187	6.3
159.11684	15.3
161.13298	23.1
163.11252	9.7
164.58952	5.6
171.11859	12.5
173.13237	6.5
175.14738	6.5
179.14302	99.5
211.04503	5.9
217.19411	7.1
241.19370	9.1
259.20526	22.6
266.34454	5.7
277.21655	34.4
321.22931	9.0
333.24301	7.8
351.25409	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.0
53.52352	4.0
55.05518	21.2
56.96555	5.5
57.03431	11.4
57.07065	4.1
67.05506	54.7
69.07065	29.1
71.04999	8.7
79.05499	74.0
80.38132	3.9
81.07052	74.2
83.04955	4.7
83.08601	7.4
85.06529	5.6
91.05486	60.2
93.06475	7.2
93.07045	93.4
95.04958	11.8
95.08617	61.1
97.06529	10.0
105.07021	72.4
107.08597	60.8
109.06517	10.7
109.10136	24.4
113.29434	4.7
117.07030	12.9
119.08585	69.9
121.06499	5.8
121.10149	46.5
128.06238	4.9
129.06987	5.6
131.08583	25.0
133.10124	63.1
135.11693	58.0
136.12032	4.8
137.09686	6.8
143.08554	10.1
145.10103	27.4
147.11679	54.5
149.13239	32.4
157.10135	12.3
159.11700	20.3
161.13249	42.6
163.14824	10.4
165.12714	10.1
171.11716	14.1
172.12189	6.9
173.13254	15.6
175.14830	16.0
185.13179	21.4
213.16357	5.6
231.21075	7.5
241.19504	26.8
257.89209	5.3
259.20572	100.0
266.18716	4.4
277.21533	15.8
333.24246	11.6
351.25592	49.4
360.66348	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	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28959	1.6
53.03939	5.4
55.01877	2.0
55.05509	18.0
57.03441	11.1
57.07076	4.1
58.67611	1.4
62.57607	1.7
65.03934	2.7
67.05504	53.3
69.07065	18.6
70.83263	4.9
71.04989	5.4
71.08620	5.6
75.04451	3.1
79.05491	67.3
81.07053	61.3
83.04985	2.2
83.08626	10.2
85.06547	4.0
91.05476	57.0
93.07040	100.0
95.04961	10.9
95.08599	47.3
97.06525	3.3
97.10154	4.0
99.08080	5.6
105.07029	59.7
105.86723	2.3
107.08588	54.9
109.06485	2.5
109.10165	17.6
115.05406	2.5
117.07028	11.7
119.08574	62.9
121.10145	44.0
123.08060	2.8
123.11709	5.3
125.09696	3.0
129.06992	9.3
131.08568	26.7
133.10123	49.4
135.08167	2.2
135.11688	45.1
137.09599	4.0
139.11163	1.8
142.52098	1.9
143.08572	11.2
143.25180	1.6
145.10114	20.3
147.11685	43.9
148.12045	2.4
149.09567	3.6
149.13252	27.1
154.06615	1.8
157.10179	10.2
159.11684	20.8
161.13246	41.4
163.11232	4.7
163.14786	9.4
165.12799	2.2
171.11650	14.9
173.13220	12.5
175.11290	2.4
175.14809	19.7
177.12691	3.0
179.14319	3.6
185.13295	11.5
187.14833	5.0
191.14337	1.9
199.14880	10.1
201.11095	2.1
203.14258	2.6
213.16359	4.9
215.17941	2.2
217.19482	5.3
221.15376	2.7
231.17480	4.6
231.21112	9.1
235.16910	2.6
241.19521	36.0
259.20572	98.5
260.20917	3.8
277.21655	14.8
291.10785	1.7
333.24341	9.3
347.48819	2.1
351.25372	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97270	10.1
70.10720	46.8
72.24828	9.6
75.45677	11.1
79.85443	9.1
98.21448	15.2
103.35935	11.2
115.31055	12.9
119.01878	15.7
131.01891	24.2
131.29802	9.6
145.03395	18.9
160.83681	10.5
161.02852	12.3
173.02919	23.5
185.02997	15.5
244.58151	11.6
249.02745	12.5
289.07785	13.5
343.02951	10.1
351.06851	100.0
351.10696	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97270	10.1
70.10720	46.8
72.24828	9.6
75.45677	11.1
79.85443	9.1
98.21448	15.2
103.35935	11.2
115.31055	12.9
119.01878	15.7
131.01891	24.2
131.29802	9.6
145.03395	18.9
160.83681	10.5
161.02852	12.3
173.02919	23.5
185.02997	15.5
244.58151	11.6
249.02745	12.5
289.07785	13.5
343.02951	10.1
351.06851	100.0
351.10696	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.1
55.01841	2.9
55.05471	2.5
57.03423	7.3
57.07064	2.5
60.09726	2.1
65.03956	2.2
67.05503	6.6
69.03432	39.8
71.04977	7.5
71.43229	2.9
73.02911	5.3
79.05485	7.7
81.03420	13.4
81.07056	16.5
83.01311	2.7
83.04979	4.6
83.97389	2.2
85.02907	100.0
87.04433	3.1
91.05466	8.3
93.07036	6.1
95.04940	5.1
95.08612	7.6
97.02888	20.0
99.04433	12.0
105.07018	14.7
107.08613	5.2
109.02893	9.6
109.06492	3.3
109.10165	15.0
111.08104	2.2
117.07009	3.9
119.08587	20.9
121.06522	3.7
121.10136	6.5
123.11713	63.9
125.05999	21.6
127.03900	10.1
130.07774	4.3
131.08583	7.0
133.06477	5.2
139.07536	13.5
142.07745	2.7
143.08539	4.0
145.04945	5.8
145.06468	3.0
145.10115	15.9
147.08060	7.7
147.11691	20.5
149.09630	9.2
151.07541	7.2
156.09439	3.6
159.07964	2.2
171.11726	6.6
178.56955	2.1
183.11824	2.4
189.12738	36.0
207.13795	26.9
231.13731	3.3
246.34305	2.3
251.09343	2.8
269.10254	5.6
283.11548	4.8
333.16992	11.7
351.18063	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	351.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
55.05497	4.0
56.96545	2.4
57.03434	3.5
67.05506	12.4
69.03410	2.9
69.07072	9.1
71.04985	3.7
71.58302	3.2
79.05499	14.1
81.03404	2.0
81.07049	17.1
83.04977	2.3
83.08585	2.7
85.02859	1.8
85.06520	2.6
91.05486	11.3
91.78389	1.8
93.07047	18.3
95.04960	4.9
95.08610	13.8
97.10176	1.7
105.07011	17.1
105.27689	2.0
105.38704	1.8
107.08571	14.2
109.02858	2.1
109.06504	2.9
109.10141	8.3
111.08098	2.4
117.06999	3.3
119.08586	14.4
121.10139	8.2
123.11707	3.3
125.06060	1.8
125.40320	1.8
129.06975	3.4
131.08540	7.4
133.10144	10.2
135.11684	9.0
138.42847	1.8
141.07031	1.9
143.08569	3.9
145.10114	5.1
147.11656	7.8
149.09668	2.2
149.13239	6.2
155.08611	4.3
157.10114	5.5
159.11671	7.3
161.09610	2.5
161.13275	7.5
163.14731	2.7
165.07037	3.9
167.08606	3.0
169.10059	2.2
173.13187	3.6
175.14867	2.9
181.12180	1.7
183.07903	2.9
183.11693	2.3
185.13240	4.5
189.16394	2.0
195.07968	3.3
207.31705	1.9
211.07571	3.8
221.05933	3.5
239.07082	4.8
241.19585	3.7
249.05377	2.8
251.07124	2.3
259.20605	8.4
267.06586	4.8
277.04892	3.2
277.21667	2.1
291.10110	2.4
295.06046	7.4
305.04709	3.4
308.03366	2.3
319.09705	4.4
323.05530	13.0
336.02621	3.6
351.04971	19.8
351.12134	4.1
351.21371	100.0
351.25717	8.4
352.05179	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	351.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.9
56.96560	24.4
69.03423	5.1
71.57277	3.7
73.02938	2.2
81.03426	3.8
83.04978	1.6
84.96014	3.9
85.02889	9.0
86.09724	1.7
88.64016	1.5
91.05444	1.7
91.64242	1.9
95.04963	2.5
97.02879	5.3
98.97582	55.9
109.02882	3.4
110.97570	6.2
116.97823	3.8
116.98614	57.7
127.03891	3.1
128.98607	12.8
134.99660	36.8
140.00203	2.6
143.00134	5.0
144.13797	3.4
146.99631	14.5
147.03296	4.9
149.01208	2.4
153.00699	3.8
153.01816	8.4
155.06961	2.5
158.01270	3.3
158.99635	19.2
161.01178	7.5
162.99136	3.4
163.02748	5.2
165.04350	11.4
170.99609	7.1
177.00687	36.2
188.03777	4.2
189.00710	5.9
189.04341	10.1
189.05942	3.2
190.14363	4.6
193.03793	2.0
195.01685	3.2
200.02347	4.8
207.05307	4.8
219.01727	17.2
219.05173	2.0
231.05281	2.1
237.02803	45.9
249.06392	2.1
255.03763	4.3
291.07431	25.0
303.01318	3.1
309.08542	100.0
310.08789	3.8
323.33429	1.8
332.10190	7.8
351.09702	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	351.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35778	1.9
52.58067	1.6
53.03941	4.2
55.01871	4.8
56.96292	3.4
56.96566	53.9
57.03431	6.0
61.02928	7.4
67.05507	2.5
69.03432	21.8
69.78130	10.8
71.04997	3.2
73.02917	6.9
81.03426	12.8
81.07075	2.5
83.01357	2.2
83.04964	2.1
84.96047	8.6
85.02911	57.9
85.03436	2.8
86.06071	2.2
86.09687	3.5
87.04490	3.3
91.03943	3.0
91.05489	3.2
97.02901	23.7
98.96935	3.1
98.97585	57.4
99.04470	8.0
100.99124	3.8
101.00836	2.1
107.04992	2.2
109.02882	7.3
110.97570	10.8
116.95025	1.9
116.98623	54.4
119.00180	4.5
119.01940	5.3
124.99239	2.2
127.03907	11.0
128.98611	25.8
131.00214	4.7
131.01894	4.4
133.01674	4.2
133.03391	3.1
134.06029	2.5
134.99658	29.4
135.04411	2.5
140.98627	2.0
143.00165	5.9
143.03426	3.2
144.03624	2.6
145.01685	3.9
145.04936	5.3
146.99666	35.1
147.03262	7.8
149.01193	6.7
149.02838	2.7
149.97231	4.4
151.02727	2.2
152.98529	3.2
153.00746	3.4
153.01831	12.7
158.99655	16.6
161.01234	17.8
161.02745	2.7
161.97215	2.9
162.99142	7.1
163.02747	4.1
163.03960	5.7
163.65837	2.0
165.00735	8.0
165.04358	12.4
170.99699	10.5
171.05078	3.6
173.02959	4.1
174.99208	2.2
175.02821	2.5
177.00691	29.0
179.02280	6.0
181.00111	2.7
183.05405	2.9
187.02728	4.7
189.00658	16.4
189.04292	9.2
189.06049	7.1
191.03998	3.0
193.00194	2.8
193.03833	3.3
195.01758	3.8
201.00583	10.8
201.04327	2.4
201.06076	4.6
203.04111	2.7
207.01656	4.1
207.05225	3.6
207.06978	2.4
217.00304	3.7
217.03806	2.1
219.01740	36.3
219.03619	3.0
221.05011	3.2
226.98618	4.7
231.05392	3.8
234.99036	2.5
237.02811	80.2
242.03268	2.6
244.99646	10.2
248.05539	2.6
249.02768	3.1
255.03900	5.9
260.04538	3.2
261.02701	3.3
263.00839	14.2
277.03326	2.2
285.00339	2.5
287.00833	6.1
291.04218	2.9
291.07333	48.4
292.07730	2.4
303.01324	8.3
309.08514	100.0
310.09048	2.8
319.03943	2.2
323.00809	3.6
332.10150	9.4
351.09473	17.1
352.10226	7.1
371.02789	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08470	3.6
63.20696	3.5
63.96305	3.6
69.89022	15.2
69.89430	6.5
98.21468	3.6
124.36331	3.2
128.62750	3.4
132.11769	3.3
187.02457	3.4
238.13315	3.6
351.06888	100.0
351.12296	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	351.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	8.8
57.52261	2.2
64.01768	3.1
70.43882	7.0
70.44239	4.4
77.00893	8.6
85.02895	3.8
85.28474	2.9
92.10606	2.5
97.02877	3.9
98.97581	5.5
101.00867	27.3
103.02441	6.2
110.44379	3.7
115.02425	3.6
116.98631	5.3
119.01916	94.2
127.02406	6.3
131.01930	17.8
133.03465	21.3
134.99666	2.8
137.02991	14.7
139.02446	7.3
142.03513	3.3
143.00146	10.5
143.01875	24.5
145.03453	46.2
147.01360	8.1
149.03009	3.7
151.04515	7.9
155.01929	14.4
156.02615	3.4
157.03447	75.9
159.01483	3.7
161.01164	12.5
161.02969	30.9
163.04568	6.5
169.03503	5.5
173.02962	28.0
175.04506	24.5
177.02364	3.9
179.02103	3.7
180.05121	3.6
183.01436	26.9
185.02971	16.5
185.04524	3.7
187.04408	15.3
189.02454	12.9
189.04048	4.1
190.96376	3.0
195.98816	2.7
197.02969	3.8
199.48093	2.8
201.02441	100.0
202.02527	3.8
203.04001	39.5
206.97829	3.4
213.02551	3.6
213.99548	3.1
215.03992	7.7
219.01947	3.9
221.01791	7.9
221.05069	70.1
228.98135	3.8
232.99278	2.8
237.02904	4.5
239.06117	18.8
243.03503	52.7
245.05064	64.2
254.99586	4.1
261.04541	8.0
263.06110	37.2
267.03787	5.1
273.04459	6.2
277.04105	3.6
279.05679	8.1
281.07141	4.9
285.04568	7.9
286.07935	3.1
289.06042	2.8
291.05707	21.1
291.59229	2.9
298.98715	3.6
302.49957	3.0
303.05573	47.9
305.08926	3.8
309.06662	11.8
321.06775	15.7
333.08707	6.2
351.07391	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	350.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	12.3
58.35938	5.3
67.05482	14.7
69.07074	6.1
69.30405	64.9
71.04977	9.8
81.07046	23.1
83.04985	5.9
83.08599	10.1
85.02927	13.7
91.05451	6.2
92.20506	6.6
93.07030	43.0
95.08614	41.0
96.08942	6.5
97.06525	21.7
105.07074	6.1
107.08587	53.3
109.10161	37.7
123.08069	6.7
123.11683	11.6
131.08565	5.9
135.11673	100.0
141.12730	7.2
153.01843	15.0
153.12746	44.0
171.13832	35.6
228.75980	7.5
297.12506	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	351.0345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.6
55.05484	1.4
64.81451	1.5
68.99787	1.3
71.23682	1.8
77.03928	2.1
79.05484	3.3
81.03381	1.8
85.02884	1.5
85.06634	1.1
89.03905	3.1
89.83602	1.1
91.05460	3.4
95.04978	2.7
99.00772	1.3
103.05463	1.9
105.03406	6.6
107.04937	3.6
109.02866	2.5
117.03362	2.8
119.04992	1.5
119.08569	1.6
131.04889	1.7
133.02866	10.8
134.03639	1.9
135.04405	4.0
137.02338	1.6
145.02831	7.9
147.04379	4.2
148.11147	1.7
149.11568	2.8
151.03813	2.5
151.47858	1.3
153.01781	1.8
159.04442	1.3
161.02338	22.6
161.06097	1.6
162.03099	5.3
163.03912	24.4
165.01828	5.2
173.02446	5.4
174.88393	1.4
177.01822	3.6
177.05482	4.1
178.02640	2.3
179.03372	4.8
187.03911	2.6
189.01823	40.2
190.02531	4.7
191.03389	66.7
192.04073	1.5
193.01305	5.9
193.04984	2.8
195.12024	1.3
201.01837	5.2
203.03387	1.9
205.01352	3.7
206.02107	4.0
207.02924	7.3
207.06978	1.2
215.03487	3.9
217.01321	44.1
218.02107	16.2
219.02884	18.4
221.04468	16.5
229.01396	2.5
231.02911	1.5
233.04442	3.3
234.01620	3.7
235.02428	10.2
243.02872	3.5
245.00822	41.3
246.01433	2.7
247.02367	15.7
249.03946	64.8
250.04355	2.6
257.00833	1.8
261.03958	5.2
263.01871	10.7
271.02356	1.9
273.00287	51.1
274.01044	13.1
275.01843	11.9
277.03503	11.4
279.04987	3.2
289.03317	5.9
291.01370	4.6
292.02017	1.8
300.99759	29.4
305.02914	7.1
319.00748	3.6
333.02335	3.2
351.03448	100.0
351.10477	2.8
351.15210	8.6
352.03693	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	350.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42944	0.9
53.03949	1.6
69.03413	1.9
70.06596	1.3
71.57100	1.0
71.57497	1.3
79.52571	1.0
81.03407	3.0
85.02894	3.0
91.69720	0.9
97.02889	12.2
99.04456	1.0
109.02851	2.1
110.05920	1.0
112.02179	2.4
115.85159	1.1
119.21991	1.1
127.03922	4.1
127.19141	0.9
140.01619	2.0
140.14980	1.2
148.11159	1.5
153.01808	1.3
158.02765	1.5
170.02693	9.2
188.03755	100.0
230.04706	1.2
251.92725	1.1
314.06888	11.1
332.07892	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89804	0.5
54.39842	0.4
61.02923	0.4
67.05474	0.5
69.03416	1.2
70.06602	0.7
71.04975	0.5
71.56513	0.7
79.05487	1.1
81.03426	1.0
81.07027	0.9
84.81028	0.5
85.01115	1.0
85.02483	0.4
85.02908	4.0
85.43502	0.6
87.03217	0.4
91.05492	0.7
97.02892	4.2
97.49641	0.4
103.02122	0.6
103.05441	0.8
107.04958	1.1
109.02870	1.8
109.06474	0.9
112.02163	1.9
119.60533	0.5
127.03915	1.2
133.08829	1.4
136.52341	0.4
138.06383	0.5
140.01634	2.3
147.04385	1.0
148.11201	20.9
153.01840	0.9
158.02731	1.5
170.02698	6.8
188.03757	100.0
189.04045	1.0
194.11789	6.8
230.04800	2.1
252.06860	0.6
294.97052	0.5
296.05838	1.0
314.06955	5.2
332.07901	1.6
346.51355	0.6
350.09079	4.5
350.15857	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	350.1344
Annotation	MITOMYCIN B
Peak:m/z	Relative Intensity
51.41304	0.7
53.03944	0.8
55.01876	1.1
57.03430	2.0
60.04509	2.3
60.08763	0.7
61.02921	1.8
68.67426	0.6
69.03428	9.3
69.07050	0.9
69.27782	6.6
69.28194	1.8
71.04973	2.1
73.02898	1.2
79.05476	1.0
79.84518	0.7
80.83014	0.7
81.03414	2.2
81.07072	1.6
91.05462	2.0
93.07051	2.0
95.08588	1.1
97.06527	1.4
98.21623	1.1
99.04429	2.5
105.07027	1.8
107.08574	1.2
118.06536	4.2
132.08102	1.6
135.11720	1.1
138.32974	0.7
145.06555	1.3
145.07608	16.3
147.09166	20.6
153.12637	1.1
157.07529	1.1
159.07991	1.0
159.09187	9.9
160.09956	1.5
161.09612	0.7
168.25786	0.6
171.13817	0.7
173.07178	1.2
173.10860	1.4
175.08678	2.0
184.10030	0.9
185.10718	3.8
186.11549	1.0
187.08612	1.0
187.12381	0.9
191.08150	100.0
192.08478	2.1
197.10715	1.7
199.12413	1.5
200.09474	0.9
209.66843	0.7
213.10184	1.5
215.11746	0.9
216.07689	12.2
227.11827	1.1
245.09253	1.4
263.13922	7.8
271.10654	0.8
280.27554	0.7
289.11743	3.6
307.12878	54.0
308.13138	1.7
319.09610	1.4
345.04678	4.5
350.13440	38.4
351.13745	2.1
363.05609	1.1
368.06006	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2736
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
54.01663	0.8
55.01867	1.4
55.05284	1.0
55.05510	7.5
57.03423	0.8
57.07076	1.7
60.03847	0.8
64.10300	0.8
67.05231	0.7
67.05502	7.9
67.50066	0.8
69.07070	12.3
70.29491	2.1
70.29887	1.7
71.04990	1.2
78.45817	0.8
79.05492	7.0
80.68766	0.8
81.07050	10.3
83.04978	1.4
83.08619	5.6
83.09052	0.9
91.05464	2.4
93.07050	8.3
93.16103	0.8
93.56411	0.9
95.04948	1.7
95.08611	11.0
97.06550	2.4
99.08080	1.3
105.07032	4.4
106.60735	0.9
107.08578	7.0
109.06522	14.5
109.10149	3.0
111.08088	2.4
117.07054	0.8
119.08581	6.4
121.10119	4.5
122.07301	0.8
123.08064	76.4
123.11728	2.9
131.08525	1.8
133.10129	4.2
135.08069	6.8
135.11726	2.5
137.09608	4.4
137.13258	1.2
145.10135	1.5
147.11684	2.3
149.09633	1.9
149.13223	1.9
159.11678	1.5
161.13237	1.5
165.12752	0.8
167.14320	1.5
169.10001	1.4
173.13252	1.2
175.96165	0.8
179.14314	12.3
186.15877	0.8
193.59033	0.9
227.30608	0.9
245.90625	1.0
275.20218	2.1
293.21127	20.2
307.22690	1.2
331.26337	3.8
349.27368	100.0
350.27618	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41958	4.0
53.03937	7.5
55.01859	13.5
55.05512	26.9
56.96562	26.4
57.03437	27.5
57.07071	7.4
61.02918	10.0
65.03924	5.3
67.05502	73.3
69.03418	10.1
69.07069	52.8
69.31090	3.8
71.04980	7.6
71.58694	5.5
75.65571	3.6
79.05062	6.8
79.05491	77.8
81.03422	17.4
81.06583	5.5
81.07054	92.8
81.12723	3.1
82.07379	3.6
83.04987	17.6
83.08609	24.6
85.02893	10.5
85.06543	5.2
88.64697	4.2
91.03944	5.6
91.05473	67.5
91.12869	3.3
93.07043	60.6
95.04957	19.2
95.08607	53.0
97.02882	8.6
97.06543	22.2
97.10160	7.1
98.97604	3.7
105.07024	54.3
107.04941	18.1
107.08592	63.8
108.08899	3.5
109.06535	25.6
109.10151	22.2
111.08094	6.6
115.05437	3.8
117.07025	19.8
119.08586	44.6
121.06503	12.8
121.08363	3.9
121.10128	26.4
123.08041	7.4
123.11691	9.5
125.09613	5.1
127.03924	5.0
129.06969	7.5
131.08582	29.8
133.10132	39.8
135.08035	7.7
135.11687	13.9
137.09665	9.4
143.08536	7.7
145.10144	32.5
147.11696	24.9
149.09544	16.4
149.13242	7.7
151.11143	7.0
155.08566	6.4
157.10101	6.6
159.11652	20.1
161.09631	3.6
161.13272	11.3
163.11142	21.5
169.10153	5.1
171.11877	11.3
173.13245	10.3
175.14781	7.1
177.12767	5.7
179.10846	4.0
179.14307	8.1
183.11743	4.9
185.13304	4.9
187.11189	4.9
187.14819	3.8
193.12109	4.1
201.12636	3.6
207.13783	5.7
217.07425	4.6
219.13762	5.4
229.19485	4.3
231.08948	6.6
233.15199	4.4
238.22694	3.5
239.17967	6.7
243.09109	4.2
247.20528	4.6
251.09346	4.0
255.09119	8.5
257.19000	15.8
267.09180	12.2
268.09573	3.5
269.10455	20.7
270.10855	6.5
273.09921	6.9
275.20050	100.0
276.20380	4.6
284.08701	4.6
285.10388	18.9
286.10483	6.9
287.11679	7.9
301.09482	6.0
301.12711	4.1
331.22565	4.4
349.16757	5.9
349.23761	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28475	2.2
53.03946	18.1
55.01868	18.5
55.05506	26.8
56.96562	11.6
57.03444	20.8
61.02932	6.9
65.03943	5.0
67.05502	77.0
69.03425	7.2
69.07067	64.6
70.17842	2.6
70.25908	11.2
71.05001	4.6
71.08652	2.6
73.02900	2.2
79.05489	60.3
81.03420	39.2
81.07050	100.0
83.04977	15.7
83.08632	13.1
85.02884	8.8
85.06542	3.4
91.03984	3.1
91.05478	69.0
93.07037	60.7
95.01315	22.3
95.04964	23.7
95.08605	65.2
97.02885	6.6
97.06523	33.5
97.10180	5.9
98.97556	2.8
99.08111	3.1
102.37845	2.3
103.05450	3.9
105.07027	91.2
105.33701	2.3
107.04951	42.5
107.08593	34.4
109.06509	12.1
109.10107	13.0
111.08083	6.0
117.07011	29.1
119.08589	53.8
119.09412	2.3
121.06485	7.0
121.10145	17.8
123.04458	5.6
123.08076	13.4
123.11738	4.8
125.09644	3.3
128.06215	2.9
129.07042	6.8
131.08571	32.1
133.06522	3.4
133.10126	57.1
135.08057	6.3
135.11679	17.1
137.09596	7.0
141.03859	2.5
143.08554	7.7
145.06482	5.2
145.10127	30.6
147.11687	25.9
149.09642	15.3
149.13268	8.4
157.10143	7.9
159.08063	4.1
159.11690	25.5
161.09605	4.5
161.13298	7.5
163.11188	11.0
165.09131	4.8
169.10173	6.0
171.11703	5.4
173.13217	4.5
175.11218	2.9
176.95515	2.3
177.12779	11.9
179.14346	21.0
183.11685	6.2
184.20686	2.5
185.13297	3.8
187.11186	7.9
193.12245	3.7
195.13863	3.7
197.13319	6.1
213.07928	3.1
239.17986	3.6
247.20680	3.3
257.18948	9.3
267.09000	14.4
267.15854	2.6
269.10666	8.4
275.20050	52.0
285.10052	30.4
286.10300	4.3
287.11652	5.4
308.11719	3.1
349.20258	3.1
349.23825	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05363	2.6
53.03944	21.4
55.01871	22.2
55.05510	28.6
56.96566	12.1
57.03438	23.7
57.07062	2.9
61.02921	6.1
62.47104	2.2
65.03922	7.3
67.05502	90.1
69.03419	7.0
69.07066	76.3
70.64272	6.9
71.04990	4.5
73.02924	2.9
77.00897	3.0
79.05489	77.3
79.66651	2.6
81.03412	36.4
81.07053	100.0
82.07421	3.9
83.04977	19.3
83.08612	16.5
85.02911	3.5
85.06540	4.6
91.05479	78.2
93.07043	66.7
95.01324	25.7
95.04970	27.9
95.08605	67.8
97.02877	4.9
97.06532	32.3
97.10162	7.4
105.04514	2.5
105.07029	95.9
107.04285	4.8
107.04950	47.2
107.08603	36.1
109.06512	11.6
109.10168	13.7
111.08089	8.3
115.05416	2.8
117.07015	29.6
119.08584	49.6
121.06512	12.1
121.10133	17.1
123.04430	7.7
123.08057	11.1
123.11706	3.4
125.09610	4.4
129.07022	6.7
131.08559	37.5
133.06544	4.2
133.10127	66.6
133.11095	4.6
135.08043	6.2
135.11684	18.2
137.09679	5.3
139.34691	2.4
141.07022	4.8
143.08545	6.2
145.06479	4.7
145.10121	27.9
147.11691	22.9
149.09596	9.6
149.13255	10.4
151.11237	3.8
155.08456	3.4
157.10103	3.0
159.08116	3.6
159.11687	23.2
161.13266	11.4
163.11235	7.1
165.12769	2.7
169.10152	6.3
171.11620	3.8
173.13251	5.0
175.14746	2.7
177.12675	14.7
179.14297	26.8
183.11690	3.8
187.11157	7.3
187.14746	2.7
193.12227	3.6
195.13811	2.9
201.12672	2.6
229.19505	4.2
231.08842	3.5
233.12434	2.8
239.17950	4.1
243.08981	3.6
247.20715	4.0
253.12914	4.0
257.19058	7.5
267.09045	11.4
269.10678	7.1
271.14005	4.2
275.20071	59.2
285.10120	21.0
287.11646	3.1
349.16895	4.0
349.23706	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.8
54.31092	1.5
55.01862	6.6
55.05508	22.0
56.96551	10.2
57.03436	19.1
57.07064	5.6
61.02920	5.0
65.03927	2.6
66.53625	1.6
67.05503	44.8
69.03419	6.3
69.07069	28.9
70.16149	8.0
71.04986	5.1
73.02902	2.5
77.03903	1.4
77.86060	1.4
78.05901	1.8
79.05059	2.8
79.05489	35.0
81.03411	6.7
81.07051	47.0
83.04976	10.4
83.08633	11.2
84.96923	1.3
85.02883	7.8
85.06556	3.8
91.03945	2.7
91.05476	37.7
93.07041	48.4
93.21871	1.5
95.04961	15.2
95.08607	34.2
97.02865	4.1
97.06516	7.1
97.10152	4.4
99.08018	1.6
103.05470	2.2
105.07023	45.7
107.04941	14.2
107.08589	31.1
109.02882	2.8
109.06499	17.5
109.10160	15.0
111.08070	5.2
113.70248	1.5
117.07014	12.0
119.08579	24.4
121.06517	15.7
121.10138	21.8
123.08061	7.1
123.11691	6.1
125.09644	3.2
129.06979	5.5
131.08562	23.2
133.06519	3.2
133.10129	27.0
135.08066	7.6
135.11667	10.9
137.09616	5.3
137.13217	1.8
141.06992	2.3
143.08578	6.2
145.06453	3.2
145.10115	22.5
147.08073	7.5
147.11662	17.5
149.09628	10.5
149.13246	7.5
151.07529	1.8
151.11166	5.4
155.08572	3.6
157.10106	5.7
159.08022	4.1
159.11699	15.2
161.09619	6.0
161.13254	6.9
163.11166	7.6
169.10091	4.0
171.11676	3.9
173.09612	5.0
173.13188	8.0
175.11145	5.0
175.14813	2.4
177.12785	4.2
179.14270	2.4
183.11673	5.8
185.13268	2.7
187.11215	3.8
187.14787	2.8
189.12750	1.9
189.16460	2.2
191.14319	3.8
193.12160	3.8
195.13557	1.8
197.13228	3.7
199.14873	1.9
201.12755	5.7
203.05898	3.1
207.13844	3.4
213.16420	2.1
215.14241	2.3
215.17914	3.5
219.13779	4.0
229.19530	4.4
231.09084	3.2
231.17412	1.6
233.15398	1.9
233.19011	2.4
239.18021	5.1
247.20554	6.1
257.18976	19.9
267.08966	8.9
269.10565	6.1
269.17480	3.2
275.20059	100.0
276.20325	4.5
285.10077	20.8
286.10297	2.8
287.11813	1.5
287.27859	1.5
293.21078	5.6
308.11362	1.9
321.24341	2.6
331.22504	2.7
344.27869	1.6
349.15686	1.5
349.19958	4.2
349.23752	25.9
349.31287	2.2
350.23901	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0895
Annotation	Pibocin B
Peak:m/z	Relative Intensity
50.83363	2.8
68.90310	2.4
69.14007	3.1
70.19379	8.0
79.62826	2.8
119.01893	4.1
124.84643	2.8
131.01897	5.4
153.01813	4.9
187.00970	4.4
208.76498	3.2
215.00191	3.7
312.70844	2.9
349.04886	6.3
349.08810	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.2
61.02903	0.8
65.03920	2.2
67.05500	15.6
69.19436	0.9
70.71652	2.8
79.05060	1.4
79.05489	18.0
81.03414	5.2
81.07053	100.0
82.07352	0.9
85.02891	2.7
91.05470	5.7
95.04964	1.0
97.02890	1.3
97.06493	1.0
105.43148	0.9
107.04913	1.0
107.08601	0.8
109.02875	2.5
109.06512	82.7
109.10126	1.0
110.06843	1.3
121.06489	0.9
123.08051	1.3
125.91928	0.7
127.03915	1.5
137.05971	75.9
138.06299	1.0
139.98199	0.9
141.09088	16.7
146.75491	0.8
147.04404	1.0
153.01828	2.4
169.08595	6.7
187.09601	1.2
233.74809	1.0
234.98982	4.8
249.44521	0.9
253.00177	1.6
299.11340	3.6
303.05280	2.0
332.11035	0.9
349.08881	7.2
349.13065	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.0
55.01863	3.2
55.05507	6.6
56.96555	3.5
57.03430	3.9
61.02925	1.4
67.05505	11.9
69.03409	2.1
69.07068	7.7
71.58103	1.1
79.05492	14.0
81.03380	0.9
81.07060	9.3
83.04982	1.9
83.08624	2.8
85.02894	2.6
85.06549	1.4
87.73789	0.9
91.03959	1.7
91.05488	10.6
93.07037	12.7
95.04966	3.8
95.08611	5.3
97.02853	1.4
97.06518	3.4
97.10180	1.6
105.07021	13.4
107.04948	2.9
107.08593	11.2
109.06509	2.1
109.10151	3.7
111.08060	1.2
115.05493	0.8
117.07016	2.7
119.08593	5.7
121.06475	1.3
121.10150	3.6
123.08125	1.3
123.11682	0.9
125.09644	2.0
127.03921	1.2
129.07025	1.1
131.08569	6.3
133.10150	7.6
135.08061	1.2
135.11676	1.4
143.08652	1.4
145.10133	8.4
147.08043	1.0
147.11682	4.0
149.09602	3.7
151.11095	1.2
157.10162	1.6
159.11740	4.7
161.09656	1.0
161.13303	1.6
163.11200	3.3
169.10216	1.2
171.11716	1.8
173.13243	1.3
189.11121	1.6
197.13309	1.1
215.17920	1.0
239.18027	1.3
257.12570	1.2
257.19003	4.9
267.08871	1.4
269.12366	3.3
270.12665	2.0
271.12164	1.2
275.20013	9.7
285.10062	2.6
349.19861	100.0
349.23700	8.0
350.20419	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	349.053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30604	3.5
56.30381	4.3
63.90606	4.0
65.24481	3.4
68.35463	3.6
70.69879	7.7
70.70245	8.1
70.88891	3.7
72.69339	3.4
74.02045	4.1
81.90005	3.6
119.01926	10.2
123.05612	3.5
131.01912	8.4
137.06599	4.1
139.49509	3.5
139.93028	3.8
168.99722	4.1
181.58208	4.3
191.83467	3.7
215.00316	7.5
247.03000	10.4
331.09976	5.3
349.05664	23.4
349.11182	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71016	3.4
69.91976	13.8
69.92381	7.0
77.73492	3.6
88.57823	3.9
95.25265	4.2
97.02892	4.7
101.00853	6.4
119.01922	27.3
130.26120	3.3
131.01909	16.0
155.01936	5.0
161.03049	4.3
161.52763	3.7
168.99817	6.6
173.02885	5.8
187.00896	10.9
215.00401	18.7
229.04402	4.0
246.51987	4.1
247.02963	18.6
251.09503	4.2
268.63202	5.3
273.34897	4.4
331.09875	6.1
349.05490	23.4
349.11127	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1676
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
67.05495	0.5
69.03405	0.4
69.69881	0.7
69.70297	2.1
91.05460	0.5
98.21572	0.7
107.83895	0.4
124.07571	0.6
136.07562	4.1
152.07028	1.5
164.07068	3.8
178.04974	0.4
185.11510	1.9
187.05000	0.5
199.08583	0.5
201.06712	0.6
213.06549	0.9
213.10138	0.5
224.94780	0.4
255.07501	0.5
269.09268	0.5
283.10672	1.6
293.09216	0.6
307.32959	0.5
311.10181	3.7
329.11292	6.9
340.62802	0.4
347.12479	7.9
347.16718	100.0
348.17047	1.5
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
51.43122	0.9
57.03437	1.4
61.02916	1.4
62.31391	0.9
69.03413	4.4
69.07064	45.5
69.92809	5.7
70.06574	4.4
81.03403	4.1
84.04478	1.3
85.02902	19.7
86.96421	1.0
87.04451	1.0
95.04972	3.3
97.02888	9.6
97.06512	6.4
109.02876	4.7
112.07605	6.0
123.04417	2.6
125.02383	1.6
125.66900	1.0
126.05484	3.7
127.03896	4.3
136.06184	5.1
140.07057	41.3
141.05499	1.0
153.01828	1.3
168.06554	100.0
169.06879	1.3
173.29251	1.1
182.08127	13.6
186.07619	15.0
194.84155	1.2
203.00650	1.1
210.07616	25.2
226.44078	1.0
228.08780	1.0
234.07619	4.6
238.58559	1.0
276.08710	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76084	0.8
52.46624	0.7
53.03935	2.2
55.01856	0.9
56.05026	1.1
56.96562	9.8
57.03424	3.1
61.02920	3.4
67.05487	2.9
69.03425	7.6
70.06584	2.2
71.04990	1.7
71.56444	1.3
73.02913	1.8
79.05491	1.0
80.05023	1.2
81.03422	5.0
83.04981	2.3
84.08152	2.3
84.96051	1.3
85.02902	14.1
87.04453	1.5
94.06574	7.6
95.04970	0.9
96.04462	1.1
97.02892	15.0
98.97585	18.6
101.00880	1.3
106.06569	2.0
107.04956	0.9
108.04499	1.0
108.08123	4.9
109.02850	1.7
110.06041	3.1
110.97563	1.5
112.07607	0.8
116.98627	12.5
119.01936	4.0
122.06026	25.3
123.04431	1.2
123.06815	13.9
124.07606	5.0
127.03898	4.0
128.98599	4.2
131.00175	1.8
131.01860	0.9
133.03481	1.0
134.06015	3.2
134.99651	6.8
136.06184	100.0
137.04605	1.8
137.06590	1.6
137.08359	1.7
138.05499	45.6
140.07080	3.6
143.00114	1.1
143.01849	0.9
145.03455	1.4
145.05029	1.3
146.99632	3.9
149.01155	1.6
149.03032	0.9
150.05499	41.0
151.06290	15.8
152.07082	10.3
153.01833	6.1
153.07886	0.8
155.01869	0.8
157.01888	1.0
157.03442	1.0
158.99632	3.9
161.01167	2.3
161.02853	1.0
165.00659	1.6
167.07094	0.9
168.06561	45.2
168.10193	1.5
169.01741	1.3
169.07329	2.5
170.08148	2.4
170.99567	1.0
171.05093	0.9
173.01303	1.1
177.00706	8.1
178.04933	0.9
186.06100	1.3
186.07614	12.5
186.11131	1.7
187.01091	1.2
187.02687	3.8
191.02348	0.9
205.03862	4.7
215.00191	1.0
218.49081	0.8
219.01706	3.7
223.04874	1.0
229.03839	2.6
237.02766	6.3
247.05019	1.1
259.06516	1.3
279.03876	1.2
284.17038	2.5
291.03934	1.1
302.12360	2.8
303.01276	1.6
330.11841	6.2
348.07156	4.0
348.12891	19.5
348.16525	1.4
349.08081	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	347.0737
Annotation	Limocitrin
Peak:m/z	Relative Intensity
69.89861	14.2
87.85156	2.9
98.20898	2.7
104.44975	2.3
123.43769	2.2
210.13579	2.3
338.23209	2.6
347.07330	100.0
347.13037	13.3
348.07709	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81403	8.5
56.96557	16.3
62.06703	9.4
69.03434	8.5
70.93719	17.1
70.94060	16.5
85.02928	19.1
97.02873	23.0
107.05890	8.2
108.63280	8.5
129.38487	8.9
136.06169	14.6
160.08389	9.0
176.03296	10.1
176.05217	11.3
185.04108	11.2
285.13437	10.0
301.12396	20.2
347.07016	100.0
347.13147	55.3
368.72687	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	346.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96532	7.8
57.03431	5.9
60.04522	14.5
67.05483	9.5
68.79296	6.0
69.03417	21.3
69.14550	6.0
69.48019	55.0
73.02908	6.9
76.66209	5.8
79.05490	9.9
81.03416	32.4
81.07046	6.0
84.04486	6.2
85.02902	100.0
85.06487	6.6
87.04478	8.9
91.03925	7.9
91.05480	16.4
93.07041	7.8
95.08605	9.3
97.02328	6.7
97.02868	30.4
103.05473	13.7
109.02852	11.9
121.06499	66.7
127.03894	27.6
137.06012	11.3
138.09152	8.9
145.04984	39.4
153.01830	12.6
159.18239	6.2
167.07069	10.3
206.01585	6.9
227.57774	6.6
263.93289	5.8
267.85574	5.9
299.57126	6.5
314.10883	13.0
346.13947	11.2
346.26010	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	347.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	5.9
56.05019	9.1
56.96561	52.2
57.03431	16.3
61.02916	21.5
69.03426	39.1
73.02908	15.8
81.03425	13.6
81.04529	30.1
83.04977	4.5
84.08143	7.2
84.96017	8.6
85.02909	44.7
87.04446	11.7
94.06533	5.7
97.02897	48.5
98.97578	72.7
99.04449	8.5
104.03098	5.0
108.08121	12.0
109.02837	5.3
110.97540	9.9
112.99154	5.6
115.02402	6.2
116.98614	53.8
119.01895	15.4
122.06014	12.6
123.06824	15.2
126.05476	4.9
127.03924	18.2
127.04986	10.9
128.98613	25.0
131.00177	14.8
131.01886	10.5
133.03464	13.0
134.99620	17.2
136.06169	100.0
136.07277	7.6
136.07642	7.2
137.08301	20.5
138.05466	22.0
138.08745	11.1
143.00218	9.3
143.01822	5.9
145.01677	7.3
145.03432	13.5
145.04939	8.9
146.99631	16.1
149.01160	10.0
149.07903	6.5
150.05510	21.8
151.06322	9.9
152.07059	9.6
153.01836	6.5
155.01898	7.2
158.99658	13.8
161.01321	9.9
161.02950	14.0
163.02776	5.8
166.08661	23.3
167.00206	5.1
167.09001	34.4
168.06532	25.0
170.99666	6.1
171.03169	5.7
173.01233	5.5
173.02989	13.2
175.02924	5.0
175.04420	11.5
176.05144	27.4
177.00739	18.1
178.04941	13.0
184.04875	11.6
184.09723	13.9
184.55060	6.4
185.01288	19.0
185.05669	5.4
185.10120	25.0
186.07686	6.1
187.02821	9.8
189.00752	13.0
189.04327	7.7
193.05518	6.5
201.00807	8.0
203.02252	11.9
203.03987	9.8
207.05260	11.8
219.01744	24.9
221.04982	10.1
227.02274	16.8
227.04384	5.5
237.02788	37.7
245.05116	16.4
249.02879	6.0
251.04308	5.3
253.08200	8.4
256.57196	5.2
257.05200	4.7
261.08087	5.3
265.57834	7.0
266.08380	8.9
329.18933	4.4
337.08127	5.5
347.06845	91.4
347.15353	58.2
348.07336	7.2
348.12796	8.7
351.09412	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
56.70594	0.3
56.96562	1.2
57.03442	0.4
57.18893	0.3
61.02932	0.8
65.03923	0.6
67.05493	0.4
69.03425	2.7
69.81165	2.3
73.02943	0.6
81.03421	0.7
82.08413	0.3
83.05016	0.4
85.02900	3.9
85.67952	0.4
87.04484	0.5
90.21275	0.3
92.05002	0.8
97.02888	2.0
98.97578	0.8
99.04434	0.4
102.90102	0.3
109.02863	0.6
110.06035	0.4
116.98634	1.1
120.04462	1.4
125.02299	0.4
127.03871	0.5
128.98599	0.7
134.99652	0.6
136.07556	0.4
138.05481	3.8
143.02058	0.4
145.04942	0.5
148.03923	50.7
149.04312	0.6
153.01805	2.6
154.02171	1.3
166.04993	100.0
167.05336	1.2
177.00696	0.5
184.06046	94.9
185.06464	0.8
187.02779	0.4
201.28821	0.4
236.52103	0.4
237.02859	0.5
303.80801	0.3
346.11343	1.4
346.15067	0.6
347.12860	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.8
55.01859	5.4
55.05515	20.5
57.03431	5.6
57.07072	8.5
64.95387	4.7
67.05505	33.9
69.07068	27.1
69.64610	4.0
69.76754	20.9
71.04987	4.9
79.05487	21.6
81.03398	4.6
81.06651	6.3
81.07060	71.5
82.69064	3.7
83.04996	5.9
83.08595	11.8
85.06536	11.9
91.05476	18.5
93.07033	29.7
95.04941	9.0
95.08603	57.8
97.06528	8.2
97.10177	11.2
103.05470	14.9
105.07024	25.2
105.57985	4.9
107.04942	6.9
107.08598	28.0
109.02882	4.7
109.06470	4.7
109.10146	31.0
111.04413	10.3
111.08063	8.1
117.06943	4.2
118.04084	7.4
119.08553	16.3
121.06447	6.2
121.10134	18.5
122.03636	6.6
123.04389	7.3
123.08060	4.9
123.11701	27.1
125.09583	6.3
131.04929	41.7
131.08553	10.2
132.80894	4.2
133.10120	15.9
135.11668	14.6
137.05963	52.7
137.09656	6.3
137.13268	6.8
139.03839	5.9
143.08510	6.3
145.06430	11.1
145.10158	10.1
147.04332	5.6
147.11688	17.4
149.06006	5.2
149.13251	11.8
151.07535	8.0
152.06218	6.0
153.06937	5.0
157.10182	6.1
161.06015	7.3
165.07001	11.7
165.12785	4.7
167.07004	18.6
167.08371	6.1
169.06358	6.1
171.11642	5.3
173.13304	5.5
176.04700	9.9
177.09070	7.9
178.07777	7.1
179.08585	7.0
181.06479	16.3
182.07268	5.9
191.07011	54.0
192.05540	4.8
193.06578	6.5
195.04451	4.2
195.08070	8.3
197.05977	5.5
197.09622	5.2
198.06795	5.6
202.66945	4.4
206.07259	7.0
207.08017	13.6
209.05904	4.9
210.06731	11.2
211.07526	13.2
213.09032	5.9
221.06000	7.4
223.07462	14.5
224.04678	5.4
224.08223	7.7
225.09100	22.5
226.06235	8.7
227.07076	14.5
234.06680	4.3
235.07567	6.6
237.09059	5.4
238.06114	6.7
238.10042	4.3
239.06990	18.6
241.08498	6.4
251.07008	6.5
252.07765	7.2
253.08560	12.2
254.09236	5.1
255.06531	10.4
256.07312	7.1
267.07288	4.8
267.10141	26.9
269.08066	14.5
270.08862	12.2
271.09549	6.6
281.08066	5.3
284.10352	10.6
285.11151	19.9
295.09631	18.4
296.10248	8.1
299.09271	40.4
299.19574	4.6
302.07950	4.9
313.03271	9.7
313.07205	8.3
313.10699	100.0
314.03766	5.5
314.11169	19.9
315.01263	6.9
327.12469	22.1
327.22845	5.0
330.03729	7.3
345.06168	35.0
345.13272	82.7
345.20316	7.1
345.24203	7.1
346.13474	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	345.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.7
55.01857	7.0
55.05520	20.4
57.07076	8.7
59.04993	4.8
65.03939	4.1
66.57103	3.1
67.05504	28.9
69.03405	8.3
69.07070	41.2
69.66585	3.3
70.06763	17.5
71.04975	9.3
79.05485	19.3
81.03409	4.5
81.07059	77.8
83.04950	3.6
83.08621	13.9
85.02915	6.6
85.06553	17.7
88.41571	3.2
91.05493	27.4
93.07044	38.9
95.04961	13.3
95.08604	69.4
97.06543	10.7
97.10188	5.7
99.04428	4.6
99.08096	6.9
103.05473	22.9
105.07050	31.9
107.04967	14.5
107.08597	35.2
109.02879	4.8
109.06503	9.1
109.10152	32.5
111.04446	15.3
111.08081	14.0
115.05444	4.6
117.07036	12.5
118.04178	7.7
119.08567	31.4
121.06548	8.8
121.10135	28.4
122.03649	8.0
123.04395	6.4
123.08071	12.1
123.11720	24.7
125.09630	6.8
129.06995	9.8
131.04944	44.1
131.08556	8.7
133.02853	8.4
133.06503	5.6
133.10130	19.1
135.08076	7.6
135.11700	15.8
137.05969	63.2
137.09653	6.9
137.13268	13.1
139.03900	7.6
141.07014	4.7
143.08534	7.0
145.06459	10.1
145.10117	11.9
147.04433	5.1
147.08028	5.6
147.11685	13.5
149.09596	5.6
149.13254	11.0
151.03871	4.7
151.07558	7.2
152.06174	3.6
153.06952	3.8
153.09071	4.6
153.12787	6.7
154.07776	4.4
157.10123	7.8
159.04410	5.4
159.08055	4.7
159.11697	11.7
161.06020	10.1
161.09615	5.7
161.13269	6.6
163.07585	10.9
163.11209	9.1
165.07031	12.3
165.09143	9.9
167.07051	20.8
167.08612	10.1
169.06453	4.2
169.10110	5.0
171.11755	5.0
173.13210	7.4
175.07533	8.2
175.11172	5.9
176.04710	10.8
178.07791	9.7
179.08551	10.9
181.06534	19.4
182.07315	11.7
183.11719	6.8
185.13293	5.7
187.07640	5.7
189.07054	3.6
191.07016	59.4
193.06528	5.7
193.08377	4.1
194.07265	7.9
195.08093	14.8
195.11630	4.9
196.08830	5.4
197.09662	4.8
197.13188	6.1
198.06931	6.8
199.07460	5.1
206.07275	4.6
207.08040	8.4
209.06062	8.1
209.09599	4.0
210.06760	14.9
211.07550	13.3
213.05406	3.8
221.06038	7.3
222.06581	6.5
223.07555	14.4
224.08290	12.0
225.09076	12.2
225.16571	3.7
226.06389	5.5
227.07025	12.2
228.07878	4.0
235.07539	11.4
236.08203	3.7
237.05524	6.8
238.06335	6.0
238.09752	3.8
239.07059	12.0
239.10600	5.9
240.07877	9.3
241.08578	10.2
241.33989	4.0
242.09152	3.5
243.06570	4.0
249.09216	4.6
251.06961	7.0
252.07774	7.7
253.08620	20.5
254.09184	3.8
255.06548	12.6
256.07080	8.2
265.08505	4.8
266.05759	5.8
267.06454	5.7
267.10101	29.4
268.07294	9.4
269.08124	13.9
270.08820	18.7
271.09625	7.4
280.07443	5.1
281.08035	10.9
281.11276	4.0
282.08643	4.0
283.06259	4.2
283.09726	4.4
284.10318	6.0
285.03745	4.3
285.11014	25.9
286.08240	3.6
287.09085	6.2
295.09711	25.0
298.08405	5.7
299.09152	41.6
299.12399	5.9
300.09622	6.1
309.28052	4.4
313.03357	8.4
313.10712	100.0
314.11166	23.8
315.01419	6.6
315.08557	5.1
327.12344	25.9
327.19525	4.8
327.23001	6.9
330.03775	6.7
330.10715	4.5
345.06186	26.4
345.09509	7.1
345.13290	78.2
345.16830	3.5
345.20441	8.2
345.24417	15.9
346.13638	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49092	3.3
50.97036	3.1
53.03945	5.2
55.01844	3.8
55.05508	24.5
57.03428	4.2
57.07067	8.3
59.04994	3.4
59.14161	3.8
64.75138	3.2
67.05499	32.0
67.56482	3.3
69.03435	5.3
69.06714	5.6
69.07066	61.1
71.05001	4.1
71.08630	4.8
79.05475	15.7
81.03420	4.4
81.06590	6.0
81.07056	100.0
83.08630	21.2
84.77113	3.2
85.06543	18.5
86.61407	3.4
91.05469	10.8
93.07047	32.2
95.04964	3.3
95.08601	73.0
97.06511	7.2
97.10156	6.1
99.08098	7.2
103.85091	3.5
105.07021	15.1
107.08583	23.0
109.10151	31.3
109.43294	3.9
111.08105	19.0
111.11691	11.0
121.10139	10.6
123.11721	27.6
128.76823	3.6
131.04919	6.3
133.10059	4.1
135.11679	15.6
137.05957	7.7
137.13232	22.9
141.04059	3.1
147.11682	4.6
149.13246	27.2
153.06958	3.4
153.12746	13.6
155.14310	6.1
163.14778	6.2
167.07024	4.0
167.14336	7.5
169.10425	3.4
191.07021	10.6
223.07506	4.3
239.06973	5.8
243.64481	3.6
267.10101	9.2
269.08047	6.3
270.09155	4.1
271.83508	3.6
279.26883	5.4
285.03906	4.2
291.26706	6.1
295.09668	5.0
299.09158	7.4
309.27899	8.0
313.10715	17.7
315.01404	3.8
327.12277	4.5
330.03625	6.2
345.06137	22.6
345.13263	12.1
346.06009	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	345.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17833	2.2
53.03919	2.7
55.01863	5.4
55.05272	4.1
55.05510	50.6
56.60854	2.1
57.03441	15.2
57.07052	6.6
63.99118	2.5
65.03930	4.5
67.05499	53.7
69.03411	5.2
69.07060	68.1
71.04974	9.5
71.58430	4.0
73.02884	2.6
78.31828	2.5
79.01826	2.4
79.05496	21.0
81.03406	3.8
81.07050	100.0
81.07526	6.1
83.04974	5.6
83.08620	35.8
85.06524	13.6
91.05454	16.9
93.06548	3.5
93.07039	33.4
95.04961	6.6
95.08598	85.3
96.02042	2.8
97.06504	7.9
97.10175	21.0
99.08071	5.6
103.05434	4.1
105.06996	19.2
107.08578	26.5
109.06489	5.9
109.10150	32.2
111.04425	20.1
111.08043	13.9
111.11700	10.8
115.05482	2.2
117.07011	2.4
119.08566	12.8
121.06524	3.6
121.10117	26.5
121.57324	2.2
123.08073	3.4
123.11678	24.3
125.09641	3.2
127.07533	3.0
128.06206	3.6
129.07004	4.1
131.04912	11.7
133.02829	2.5
133.10101	10.4
135.04433	3.0
135.08017	3.7
135.11688	17.7
137.02235	2.5
137.05977	14.6
137.13228	16.3
139.03905	13.1
139.11176	3.4
141.06952	3.9
144.05750	3.8
145.06494	5.4
146.07240	3.0
147.11685	11.8
149.13251	17.1
151.03915	2.6
151.11140	4.0
152.06195	2.9
153.06929	4.8
153.12704	7.4
157.06534	3.8
159.04486	2.4
159.08110	3.4
159.11678	3.1
160.08794	3.7
161.05971	6.9
161.09653	3.0
161.13153	5.4
163.07466	3.0
163.14717	3.1
165.07039	5.0
165.12729	2.8
167.03444	4.3
167.07114	4.6
167.08485	2.8
167.14339	5.0
168.05672	4.8
169.06543	3.6
174.06842	3.2
175.07521	3.9
175.14857	4.6
176.04675	4.0
177.05530	3.1
177.09137	3.3
178.07774	4.7
179.08513	6.7
179.14217	2.5
181.06483	8.3
182.07295	4.4
183.02907	3.5
185.05864	4.2
187.07332	5.1
188.08315	8.1
189.09160	3.3
189.16391	2.7
191.07034	10.0
193.06567	3.6
195.08054	6.8
196.05183	4.1
197.05972	6.8
197.09613	5.0
198.06703	13.7
199.07617	4.2
206.07291	3.2
207.07990	7.0
209.05939	8.3
210.06683	5.8
211.07520	9.9
211.11089	4.4
212.08441	3.4
213.05496	5.0
213.09100	5.7
217.19470	10.4
221.06079	3.2
223.07552	7.7
224.08162	3.2
225.09114	6.7
226.06229	4.7
227.07048	8.4
235.07544	5.0
235.20508	6.3
237.08986	3.0
238.06099	4.7
238.09843	7.9
239.07013	21.2
239.10645	10.1
240.07719	12.5
241.04842	4.1
241.08524	12.6
243.06502	12.6
251.07027	4.7
252.07738	5.0
253.04871	4.2
253.08571	13.6
253.11993	2.5
253.21538	4.3
254.09320	2.8
255.06480	6.2
255.10226	3.1
256.07285	12.8
256.10953	4.0
257.07855	4.1
265.08319	3.1
267.06705	6.3
267.10114	24.2
268.07327	11.8
268.10538	4.1
269.08109	20.7
270.08704	7.1
271.09644	7.2
271.13281	3.0
281.08170	3.6
284.06821	4.0
284.10327	6.3
285.04047	3.2
285.07263	2.7
285.11142	8.8
286.08286	4.6
291.26752	3.5
295.09454	16.5
296.10361	8.4
299.09189	70.3
299.12750	12.5
300.09436	7.9
309.11292	2.8
309.24231	5.6
313.03430	8.6
313.10654	37.3
314.11087	8.4
315.01389	5.8
327.12262	53.2
327.25305	20.0
328.12744	4.2
330.03772	5.3
345.06128	20.8
345.13242	45.2
345.20251	3.9
345.26639	19.7
346.13651	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.2
55.01860	6.3
55.05267	4.0
55.05513	66.5
56.96545	3.7
57.03439	27.4
57.07059	9.4
65.03925	3.8
67.05174	5.1
67.05506	71.5
69.07069	79.0
70.39448	2.8
71.04970	9.1
71.08595	3.1
71.57716	4.7
73.04439	3.0
79.05495	31.4
81.06588	5.8
81.07057	100.0
83.04974	6.9
83.08621	53.8
85.06557	8.8
91.05486	23.2
93.07052	37.3
95.04965	4.6
95.08604	93.7
97.06520	11.8
97.10170	29.8
99.08092	5.7
103.05466	6.4
105.07021	18.3
107.08594	28.9
109.06503	3.7
109.10159	43.2
111.04431	6.2
111.08092	9.3
111.11700	12.2
118.04139	3.3
119.08544	17.9
121.06438	4.4
121.10139	26.7
123.08080	5.9
123.11724	20.8
125.09631	4.8
125.13213	4.2
131.04932	16.8
133.02840	3.8
133.10130	17.3
135.11710	28.8
137.05965	21.1
137.09639	5.8
137.13237	9.8
139.11151	4.4
145.06375	3.1
147.04443	4.1
147.11662	13.3
149.13252	11.6
151.03874	3.7
151.11180	4.5
153.12837	4.0
159.11716	3.1
161.13261	10.4
163.14821	4.4
165.06938	5.7
165.12697	6.8
167.07130	4.7
167.08508	3.7
173.13277	3.5
175.14838	6.8
176.04750	4.7
181.06508	6.3
189.16380	3.4
191.07033	20.4
193.06532	3.0
195.08057	3.6
207.08061	8.2
209.05894	3.3
210.06763	6.9
211.07559	7.2
217.19514	13.5
223.07468	6.6
224.08253	4.0
225.08923	4.3
227.07030	5.0
235.07426	4.4
235.20602	14.6
239.07039	7.4
239.10706	4.3
240.07912	3.0
252.07834	5.1
253.08537	9.2
253.21591	4.3
267.10251	8.8
268.07187	5.5
269.08026	7.4
270.08820	5.6
281.08005	3.7
283.09512	4.2
285.08038	3.4
285.11261	11.1
295.09760	8.2
299.09106	27.9
299.12491	5.0
309.24155	8.1
313.07172	5.0
313.10663	43.4
314.11374	5.3
327.12241	13.3
327.25314	34.1
345.06131	4.6
345.13278	35.4
345.26480	36.2
346.13626	3.9
359.05161	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	345.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25092	1.8
53.03936	4.1
53.74164	2.1
55.01883	4.6
55.05513	67.3
57.03434	19.2
57.07085	11.6
65.03936	3.0
67.05137	2.0
67.05503	63.8
69.07067	90.7
69.40635	19.4
71.04992	7.4
71.08627	3.7
75.69736	1.8
79.05501	30.9
81.07059	100.0
82.07362	2.3
83.04983	6.7
83.08621	41.6
85.06557	9.5
91.05470	16.8
93.07036	31.2
95.04989	4.7
95.08609	95.2
97.06532	15.1
97.10167	29.4
99.08112	6.9
103.05447	2.5
105.07047	17.2
107.08607	25.8
109.06500	3.8
109.10158	39.9
109.10844	3.6
111.04472	4.0
111.08086	13.1
111.11727	7.9
112.12077	2.0
113.09653	3.6
117.07006	2.1
119.08586	15.7
121.10141	23.0
123.08100	5.6
123.11719	21.4
125.09630	5.4
125.13277	2.8
129.05492	3.2
131.04898	4.8
133.10123	15.5
134.69339	1.9
135.11679	23.5
137.06024	3.7
137.13239	9.2
139.03879	2.0
139.11188	3.8
147.11694	11.2
149.13301	11.9
151.11235	3.4
151.14798	3.7
153.12776	7.2
155.14304	2.2
161.13293	8.0
163.14795	2.8
165.07002	3.0
165.12793	4.7
167.07083	3.0
167.08531	2.6
167.14383	2.4
175.14871	3.6
177.16342	2.5
181.06433	2.6
185.06087	2.4
191.07050	3.9
195.08066	2.3
198.06825	4.4
211.07584	2.6
213.05574	2.5
214.85109	2.1
216.12680	2.2
217.19543	15.5
225.09163	2.8
226.06152	3.2
235.20564	12.7
239.07033	5.7
239.10637	4.1
240.07616	2.6
241.08635	5.9
243.06514	5.0
253.08636	5.6
253.21751	4.3
256.07370	4.8
267.10168	7.9
268.07336	5.9
269.08057	7.1
269.34622	2.4
281.08279	2.3
295.09671	3.1
299.09174	26.3
299.12497	4.0
300.09543	2.2
309.24191	8.1
309.27536	3.1
313.10693	12.6
314.11377	3.8
320.18750	2.1
327.12143	12.4
327.25317	30.8
330.03494	2.4
345.05862	5.0
345.09717	2.5
345.13370	8.9
345.26428	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.6
55.01864	6.5
55.05511	67.8
57.03435	22.9
57.07068	12.3
67.05503	79.8
69.03449	2.8
69.07069	76.7
70.74259	7.8
71.04984	9.6
79.05496	35.6
81.07059	99.5
81.07531	6.9
83.05013	4.5
83.08621	53.5
85.06551	8.5
91.05495	23.5
93.07038	34.4
95.04942	6.8
95.08607	100.0
97.06547	15.4
97.10176	30.8
99.08111	7.3
102.53019	3.0
105.07038	17.3
105.32928	3.6
107.08598	22.6
109.10153	43.7
111.04438	7.4
111.08085	9.3
111.11710	14.0
115.05489	3.3
119.08588	19.7
121.10139	29.0
123.11716	22.0
125.09616	5.0
129.07082	3.1
131.04910	9.6
133.10172	20.6
135.11684	30.3
136.17618	3.1
137.05965	16.2
137.13261	10.9
139.03835	3.9
139.11194	5.1
145.10133	3.3
147.11737	9.2
148.32314	2.7
149.13254	7.8
151.11218	4.7
151.14793	4.8
153.12781	4.4
156.52153	3.2
161.13332	9.4
163.07573	4.5
167.07037	5.6
167.08504	3.3
175.14822	5.6
177.05530	6.5
178.07764	4.8
181.06471	4.3
182.07295	2.8
183.74240	3.0
189.16272	3.9
191.07054	13.8
195.07893	4.6
206.07420	2.9
211.07500	3.8
217.19511	13.6
223.07677	4.1
224.08298	4.1
235.20566	13.4
239.07083	7.0
243.06447	3.5
252.07748	3.6
253.08566	5.6
253.21579	6.2
267.10251	9.5
268.07199	3.8
269.08081	9.1
270.08752	4.3
284.10379	6.0
285.11169	5.3
286.08289	4.7
295.09686	10.1
296.10361	5.9
299.09152	25.0
299.12494	7.4
309.24194	8.9
313.10623	27.1
327.12274	18.6
327.25314	36.8
345.05844	8.4
345.13263	22.5
345.26407	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	345.2059
Annotation	[4S-[4alpha(E),4aalpha,5alpha,8abeta]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 3-methyl-2-pentenoic acid
Peak:m/z	Relative Intensity
50.01587	2.0
51.02375	3.7
51.31540	1.5
53.03949	43.2
54.52195	1.7
55.01874	11.0
55.05499	3.8
57.03425	1.7
57.07072	4.1
58.68550	1.5
58.68849	1.7
58.87185	1.8
65.03932	5.7
67.05504	46.4
69.07069	46.6
70.53408	1.6
71.05015	2.0
72.14184	1.6
77.03912	3.2
79.05493	82.9
81.03416	93.4
81.06586	2.5
81.07057	38.8
83.04977	21.0
91.05479	74.8
93.06478	3.0
93.07043	48.5
93.07637	3.0
94.07326	1.7
95.04965	100.0
95.08601	6.9
96.05318	1.6
105.04517	5.7
105.06396	2.0
105.07038	19.9
106.06205	1.9
107.08580	11.0
109.06503	13.5
109.10157	5.8
117.07027	2.5
119.08582	3.2
121.06501	18.4
121.10147	3.0
123.08053	3.2
123.11722	5.8
131.08556	4.7
133.10118	20.3
133.70596	1.8
141.07053	1.7
144.09262	1.5
151.11179	60.3
152.11525	1.8
152.61940	1.7
155.08517	1.9
157.10019	1.6
159.08092	2.8
160.66872	1.6
173.13284	2.0
175.26656	1.5
196.93802	1.6
229.22250	1.7
243.17511	2.2
271.16980	2.3
294.69626	1.7
345.20612	63.8
345.24026	3.8
346.21341	3.6
346.33170	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78251	2.5
55.05227	2.8
55.05506	2.9
59.41476	2.9
67.05492	2.9
69.03430	3.1
70.63736	4.9
70.64091	6.8
74.41692	3.3
76.93457	2.6
79.05501	6.9
81.07070	7.5
88.22701	2.6
91.05489	12.4
93.07063	6.3
93.19833	2.6
95.04967	3.1
95.08611	3.4
103.05477	20.7
105.07048	8.0
107.04961	5.9
109.06561	4.8
109.10171	4.2
115.05499	3.6
116.73383	2.7
117.06999	7.7
119.04958	2.6
119.08604	4.5
121.06552	3.1
122.03629	4.1
131.04935	25.0
133.06490	2.7
135.08072	5.0
137.05981	57.6
137.07060	2.7
151.07527	14.4
159.07970	2.4
161.05989	4.7
162.06342	3.8
163.07549	45.8
165.05449	4.2
165.06892	4.7
165.09216	3.9
167.07077	3.3
175.07552	10.0
177.09116	100.0
181.06502	4.4
183.13844	4.2
191.07053	9.1
195.08435	3.1
195.10219	11.0
203.10742	4.7
207.08086	3.2
210.06911	2.7
221.11725	5.3
253.08601	4.7
267.10040	9.0
270.08878	2.8
272.06641	3.4
285.11252	4.1
295.09607	4.3
299.09329	4.6
299.12738	7.8
313.10663	13.3
313.13828	4.2
345.06064	4.2
345.09958	3.0
345.13474	7.8
350.68063	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	345.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.2
55.01863	11.7
55.05511	7.1
55.55054	3.7
57.03434	5.6
57.05626	3.3
61.02911	4.1
65.03951	5.5
67.05499	18.2
69.03410	11.7
69.07058	11.1
69.42144	14.5
69.42570	20.4
69.86267	3.1
71.04993	10.3
79.05494	23.1
81.03394	13.5
81.07044	15.0
83.04966	11.9
85.02911	25.4
85.06530	14.3
91.05455	25.0
93.07069	18.9
95.04960	14.9
95.08601	8.5
97.02896	11.9
97.06548	4.4
103.05453	5.7
105.07014	17.6
107.04921	9.1
107.08552	6.0
109.02870	9.0
109.06512	8.0
111.04430	7.3
112.02174	6.0
117.07005	11.9
119.08566	7.1
121.06493	25.0
121.10204	4.1
122.07079	4.1
123.04408	10.5
125.06089	3.4
127.03889	16.3
128.06229	5.3
128.69223	3.5
129.06979	6.0
131.04918	11.0
131.08568	5.6
133.06505	7.4
134.99538	4.3
135.04420	8.3
135.08015	4.1
137.05948	31.4
139.03896	12.7
140.01582	5.1
141.07004	5.5
145.04988	7.2
145.06432	3.9
145.10136	8.2
147.04404	9.3
149.05986	12.6
149.09560	4.1
151.03886	10.7
151.07591	4.0
153.01791	10.1
153.05475	10.2
161.05969	4.7
161.09656	4.3
163.03902	4.6
163.07562	6.1
163.11186	8.0
165.05472	14.2
165.06865	5.6
167.07054	7.1
170.02670	10.1
171.02953	5.7
173.06018	4.1
173.09610	8.4
175.11227	3.8
177.05481	13.4
181.06400	5.9
181.12221	5.2
183.10170	17.8
185.09695	4.0
186.02248	4.7
188.03751	98.8
189.04080	100.0
190.03252	21.9
191.07053	17.4
191.10616	10.4
193.04965	8.1
193.12257	4.6
217.08621	5.6
239.12851	11.3
263.12912	4.4
277.02972	4.2
279.12308	4.1
291.12296	5.8
299.14972	13.1
313.10641	13.2
313.14041	4.2
345.08463	6.3
345.14801	12.1
346.42816	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96296	5.5
56.96564	80.7
63.66982	2.3
67.05518	2.7
69.55562	18.8
71.42834	2.5
71.95248	5.2
72.94636	2.6
74.97583	2.8
79.05470	2.9
81.07038	2.8
91.61478	2.5
93.07032	4.1
95.08604	7.6
105.00127	2.6
105.07028	3.7
107.08597	5.1
109.10152	3.2
119.08565	3.2
121.10094	3.7
131.08551	2.6
133.10132	4.3
157.01701	7.4
159.11623	2.9
164.28584	2.8
175.72269	2.6
177.02258	7.8
195.03285	66.6
201.04451	3.3
213.04335	100.0
214.04724	3.3
218.04926	10.7
231.05406	9.4
236.05937	11.6
243.08917	3.2
261.10095	9.6
314.40271	2.9
319.15948	3.4
320.84503	2.8
344.38245	6.5
345.13626	2.6
345.24191	6.8
363.15015	3.4
363.99933	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.3
56.85914	1.2
56.96547	1.4
59.31770	1.3
59.36595	1.4
67.05537	1.3
69.03427	2.4
69.41294	11.6
73.02940	1.8
76.35448	1.5
79.90987	1.2
81.03420	2.3
83.04972	1.4
85.02899	2.5
91.05486	2.2
94.04182	1.6
95.04947	1.6
97.02849	1.6
103.05452	1.5
109.06543	1.6
122.03654	3.0
125.02339	1.4
131.04916	6.6
134.51122	1.3
137.05975	24.6
138.09108	3.7
153.01762	6.6
163.07518	1.6
165.07077	1.5
165.09036	1.6
166.08661	3.0
176.04697	2.1
183.09872	2.0
183.11334	6.8
191.06985	8.9
195.07996	1.6
203.05238	1.9
207.46339	1.2
209.06026	1.5
210.06732	2.1
221.05940	2.2
223.07364	1.3
223.52307	1.3
237.45055	1.3
253.08852	1.2
267.10333	1.9
270.08746	2.3
278.85089	1.5
285.11121	2.4
286.07019	2.1
299.09259	2.3
309.08438	2.1
310.07166	1.8
313.10699	9.2
314.11386	1.7
327.09677	3.3
327.13788	1.6
345.10880	4.6
345.15216	100.0
346.15710	3.6
359.44547	1.4
364.48712	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1331
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
55.05512	2.4
65.03933	4.3
69.51560	17.9
79.63510	2.2
81.07062	4.4
83.04971	2.9
85.18868	2.0
91.05465	5.5
93.03391	2.0
95.04946	2.4
95.08624	2.7
96.02110	6.1
98.21495	2.6
99.52428	1.9
105.07032	5.0
105.07710	1.9
111.04432	31.1
115.05443	2.6
115.24603	2.2
115.38777	1.9
123.04510	2.9
129.06976	3.2
131.04901	6.8
131.08632	2.2
133.02843	2.5
137.05968	9.0
139.03889	14.5
144.05699	3.8
145.06506	5.3
152.06221	2.3
153.07027	5.1
154.07790	2.6
155.08595	2.6
155.80162	2.0
157.06477	5.3
159.08113	4.6
160.08862	4.6
161.05965	5.4
165.07054	6.1
167.03424	5.0
167.07138	2.8
167.08566	4.8
168.05737	6.6
169.06477	6.5
171.08160	2.2
178.07788	4.9
179.08606	7.6
181.06422	9.5
182.07280	5.9
183.08008	3.8
185.05969	6.8
185.09622	2.8
187.07516	4.6
188.08356	7.6
189.09073	2.3
191.07047	3.6
194.07272	2.7
195.08015	5.1
196.05251	3.6
196.08778	3.1
197.06001	6.0
197.09642	4.7
198.06757	19.6
199.07581	5.3
200.04633	2.0
200.08247	3.1
205.06680	2.8
206.07315	4.2
207.08101	7.8
208.08789	2.3
209.05997	6.1
210.06729	6.2
211.07536	9.9
211.11256	3.2
213.05472	5.8
213.09064	5.5
223.07507	6.9
224.08298	7.2
225.05389	2.7
225.09058	5.6
226.06232	9.4
227.07021	5.6
227.10747	2.5
228.07791	5.1
234.06693	2.3
235.07587	5.5
236.08344	2.3
237.05521	2.9
237.09010	3.5
238.06165	3.7
238.09828	10.1
239.06996	25.9
239.10678	16.1
240.07770	8.1
241.04900	8.4
241.08559	18.4
243.06503	15.7
249.09129	3.3
251.07007	5.1
252.07896	4.0
253.04886	2.6
253.08450	10.8
253.12282	6.7
255.06514	5.5
256.07382	18.6
256.09903	2.9
256.10785	2.4
265.08813	2.3
267.07141	3.7
267.10132	34.8
267.12790	3.2
268.07333	22.3
268.10165	3.4
269.08029	32.1
270.08722	2.5
271.09601	6.5
271.13327	7.1
281.08212	4.2
281.11722	5.5
283.05954	2.1
284.06830	5.6
284.10480	9.3
285.11383	4.9
286.08429	7.1
295.09598	12.9
296.10516	11.1
299.09201	100.0
299.12747	18.7
300.09467	2.7
312.10010	3.2
313.10660	23.6
314.10959	3.1
327.12225	62.0
328.12531	4.3
345.06174	4.6
345.13321	37.1
345.17148	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82962	3.8
55.01863	6.1
55.05510	67.8
57.03438	23.4
57.07078	8.4
65.03931	7.1
67.05499	73.9
69.03435	4.5
69.07069	86.8
69.34742	33.8
69.35156	7.2
71.04989	6.8
79.05489	40.2
79.05924	5.6
81.07056	99.0
82.01462	3.7
83.04976	8.0
83.08625	43.9
85.06534	12.3
91.05476	28.5
93.07047	34.1
95.04965	12.8
95.08608	95.4
95.15322	4.3
96.02125	4.3
97.06525	12.6
97.10175	29.7
99.08099	4.6
103.05466	4.2
103.40502	3.9
105.07061	23.4
107.04989	3.9
107.08586	22.2
109.06471	8.0
109.10145	40.6
111.04457	32.0
111.08086	5.4
111.11712	6.8
115.05469	4.0
117.06998	6.0
119.08547	22.8
121.10142	36.7
123.08153	4.4
123.11695	14.4
125.09592	4.6
127.42818	3.5
129.07047	6.2
131.04935	12.5
131.08582	4.4
133.10161	18.2
135.11688	30.6
137.05983	26.5
137.13248	10.5
139.03886	14.8
141.06976	4.7
143.08542	6.7
145.06549	5.8
147.11688	17.2
149.13213	7.2
151.11206	5.4
151.14914	4.8
153.05533	4.1
153.12770	6.7
155.04944	5.0
157.06487	8.1
157.10191	4.8
159.08109	6.4
161.06001	5.9
161.09532	6.8
161.13223	9.4
165.06964	7.9
165.12810	5.0
167.03400	10.2
167.07104	5.5
168.05664	5.4
169.06508	6.8
173.06082	4.1
175.07533	8.6
175.14886	9.5
177.05481	5.8
179.08560	7.8
181.06450	9.8
182.07332	7.5
183.08127	4.3
185.06079	3.8
186.37083	3.9
187.07562	7.2
188.08417	6.7
189.09221	5.3
191.07047	14.5
195.06488	4.4
195.08113	11.1
197.05965	7.1
198.06747	14.8
199.07471	5.2
200.08188	5.0
207.08067	10.4
210.06837	9.0
211.07518	11.6
211.11047	4.6
213.05521	9.0
213.09164	7.1
217.19547	14.0
223.07584	13.6
224.04601	4.0
224.08348	4.9
225.09151	5.5
226.06146	10.2
227.07086	6.8
228.07765	6.3
235.07555	7.0
235.20537	16.8
238.06212	6.4
238.09927	11.1
239.07092	19.8
239.10710	15.9
240.07861	11.1
241.04930	7.6
241.08603	16.5
243.06512	12.7
243.10097	4.1
252.07854	6.6
253.08575	13.2
253.21687	6.2
255.06679	6.5
255.09836	4.4
256.07382	16.2
267.07300	6.3
267.10144	34.0
268.07141	23.6
269.08090	29.3
270.08749	7.8
271.06104	6.1
271.09460	9.1
284.06827	5.1
284.10306	8.8
285.11142	6.1
286.08463	7.9
295.09683	17.4
296.10403	15.6
299.09174	100.0
299.12698	14.6
309.24072	7.4
313.03552	7.5
313.10678	47.8
327.12341	57.7
327.25336	36.7
345.06064	16.8
345.13364	43.6
345.20410	6.3
345.26462	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	345.0817
Annotation	Theogallin
Peak:m/z	Relative Intensity
54.03644	0.7
58.06607	0.7
60.08147	1.1
69.03421	1.6
69.44223	0.7
69.49147	6.6
79.01854	5.8
81.03406	0.9
83.04975	1.5
85.02906	2.3
86.09710	0.7
88.52849	0.7
90.60712	0.7
92.77832	0.7
95.04980	0.8
97.02899	2.1
98.20738	1.1
103.98469	0.7
107.01314	1.5
109.02853	1.1
111.04427	1.2
125.02345	3.8
127.03919	2.1
143.03416	9.6
150.57901	0.8
153.01833	100.0
154.02162	1.6
171.02888	2.0
172.13351	2.4
174.14919	3.1
179.60458	0.9
208.83607	0.7
217.38249	0.8
219.01697	1.0
299.13904	1.1
345.11237	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.133
Annotation	MLS002695095
Peak:m/z	Relative Intensity
52.68297	1.7
55.01876	2.2
55.05517	3.3
56.96566	2.3
57.03422	1.9
67.05509	3.5
69.03429	5.7
69.07079	5.8
69.81463	1.5
70.06591	16.2
71.56483	1.8
72.08152	7.5
73.02946	1.9
78.16312	1.7
79.05494	5.7
81.03420	4.7
81.07076	1.7
83.01364	2.1
83.04994	2.9
85.02903	6.7
86.09663	2.0
87.00822	2.0
91.05481	5.2
93.07046	4.0
94.04205	4.2
95.04990	4.9
95.08549	2.2
97.02904	4.9
97.06561	1.9
103.05457	10.9
105.07059	2.6
107.04945	6.4
110.06061	5.3
110.09695	6.7
112.03929	2.5
115.05476	1.8
116.07119	3.3
118.04174	6.6
119.04950	2.1
120.08147	2.9
120.67083	1.6
121.06493	4.5
122.03630	7.8
123.08065	2.9
127.03897	2.8
130.04141	3.6
131.04932	29.7
133.02919	2.1
135.04449	1.8
137.05981	100.0
138.06308	2.8
138.09131	45.9
139.03824	2.2
140.07072	3.7
146.03589	2.0
147.04396	4.8
148.05244	2.8
149.06068	4.0
149.30666	1.8
150.05463	1.9
151.03870	2.0
152.06218	3.3
153.01822	23.1
153.02974	2.2
153.05478	2.6
153.06918	1.8
159.04462	4.1
161.06007	6.1
165.05655	3.0
165.07019	10.6
165.10265	5.3
166.08669	18.7
167.07167	3.1
167.08549	2.7
168.10249	2.6
169.06607	1.7
173.05986	3.0
175.07561	2.9
176.04764	8.9
177.06978	3.2
178.07751	5.0
179.08578	4.3
181.06473	8.9
182.07265	5.2
183.11295	74.4
191.07024	47.0
193.06465	4.8
193.37376	2.0
194.07225	3.2
195.08058	4.3
199.07504	2.2
205.06410	2.1
207.08096	7.1
209.05948	3.4
210.06767	11.3
211.07568	4.0
221.05974	5.7
222.06842	4.2
223.07532	5.4
224.08173	2.9
225.09068	11.9
225.12381	6.8
227.06952	9.4
231.42935	1.9
237.05371	3.4
237.09146	3.3
238.06210	7.4
239.06981	6.3
241.08556	3.2
251.07024	2.7
252.07809	3.4
253.08592	14.5
254.09267	3.2
255.06544	6.1
265.08560	3.4
267.06720	3.2
267.10202	10.6
269.07971	3.4
270.08884	8.8
271.09668	4.1
277.08575	2.2
281.08072	4.0
283.09476	3.2
284.10416	4.8
285.04163	2.2
285.11151	15.9
294.09140	2.4
295.09439	10.3
298.08496	3.3
299.09109	11.7
309.11032	3.0
313.10687	73.7
314.11359	11.4
327.12137	2.0
327.15735	2.6
330.10950	3.0
332.01712	1.9
345.04642	3.2
345.12912	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	344.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91761	11.0
55.05500	16.4
55.29971	11.5
57.03424	16.1
67.05499	26.9
69.07071	38.3
70.26649	11.3
71.04998	24.6
71.58024	18.9
77.29612	12.4
79.05502	43.5
81.03411	13.3
81.07043	28.7
91.05490	23.0
93.07040	37.2
95.04987	22.6
95.08634	31.6
97.06539	100.0
105.07027	49.8
107.04967	18.3
107.08601	29.8
109.10130	15.2
115.91135	12.3
119.08615	15.8
121.10201	12.3
128.74895	11.6
131.08565	26.7
137.05983	34.7
158.51387	13.1
191.07025	23.8
225.09096	18.0
267.10086	14.5
269.08054	17.0
299.09262	23.2
313.10788	49.8
327.12466	24.5
345.06174	23.0
345.13269	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0603
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
50.46354	1.0
52.90255	0.9
55.05502	1.0
69.07058	1.0
69.49741	7.7
70.00060	0.8
79.05499	1.3
81.07043	3.4
90.04400	0.8
93.07001	1.2
95.08596	1.8
97.10156	0.8
105.07009	1.2
107.08601	1.3
115.05441	1.4
118.04135	0.9
125.71260	1.0
131.04921	2.2
131.08557	1.0
133.06479	1.0
137.05966	3.8
139.04030	0.9
145.06459	1.4
154.15129	0.8
159.04480	1.1
163.07518	1.0
171.04424	1.2
175.04005	1.3
186.03178	2.2
191.07024	1.9
199.03853	2.3
201.05547	2.6
203.03423	3.2
214.02528	2.2
215.03394	1.1
219.00504	1.2
228.04102	1.6
229.04921	2.9
229.14975	0.9
231.02905	6.0
241.01311	2.8
242.02161	6.8
257.04321	1.1
259.02399	3.8
267.10114	1.4
269.00800	2.5
270.01590	3.4
271.02319	1.3
274.04700	1.3
284.03278	1.2
285.03958	11.4
286.00903	1.4
287.01904	8.4
295.09595	1.9
297.00171	1.8
299.01920	1.4
299.09055	2.1
301.03281	1.7
302.04291	1.4
312.02625	3.0
313.03403	35.4
313.07077	1.8
313.10751	3.3
314.04074	3.2
315.01364	23.5
327.12097	1.0
329.02951	3.0
329.99789	1.4
330.03699	30.8
345.06042	100.0
345.13190	4.2
346.06458	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.9
57.07075	11.0
58.06604	2.6
61.87916	0.2
63.16607	0.4
65.78757	0.3
66.35271	0.3
67.05508	1.9
67.60480	0.3
69.07057	0.7
71.08634	6.5
81.07059	2.7
83.08627	1.9
84.13232	0.3
85.10179	4.3
91.05488	0.4
95.08607	6.1
97.10171	0.7
109.10156	4.0
119.08601	0.3
121.10055	0.4
123.11692	0.9
124.40267	0.3
168.18373	0.3
183.17464	4.7
190.35690	0.3
240.23218	100.0
241.23538	3.7
352.31143	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52317	0.8
53.03938	1.7
55.01879	1.1
55.05502	1.4
56.96560	7.9
57.03429	3.5
59.45779	0.8
61.02922	3.8
67.05499	1.4
69.03426	10.1
70.02849	3.1
70.03756	0.9
70.06586	2.6
71.04977	2.3
73.02914	4.0
79.05513	1.3
81.03416	8.0
81.07049	1.1
83.04984	2.9
84.96035	1.7
85.02902	21.8
85.06588	0.8
86.03246	1.2
87.04463	2.1
91.03947	1.3
91.05463	8.5
95.04978	2.2
97.02893	11.2
98.97581	8.0
99.04436	1.8
101.02381	1.0
103.00643	0.9
107.04963	1.5
108.08125	5.3
109.02885	5.2
111.02044	1.0
111.04456	1.6
112.99152	1.8
113.06002	1.0
116.98621	6.4
118.06516	2.5
119.01884	2.7
119.04980	7.9
120.08124	2.3
123.04420	3.1
127.03949	6.6
128.98593	4.2
131.00146	2.9
131.01859	1.8
134.06044	2.1
134.99628	2.8
135.04384	0.9
136.07573	100.0
137.03023	1.1
137.05997	2.3
137.08022	1.1
138.05486	1.7
143.00171	0.9
143.01868	1.2
145.04959	2.8
146.06018	4.4
146.99644	2.7
147.04399	2.0
148.03899	1.3
148.07558	2.9
149.01201	2.1
152.07100	1.0
153.01878	4.8
154.08635	1.4
155.35629	1.0
158.99681	2.1
161.01244	2.6
161.03024	1.5
164.05728	1.5
164.07051	24.2
164.08386	1.5
165.05481	3.9
166.08646	3.1
173.01193	0.9
173.02922	1.4
174.03551	1.5
175.04457	2.1
176.05304	1.6
177.00734	2.4
177.04303	0.9
178.04932	1.8
182.08128	86.9
183.04207	1.2
187.02742	1.2
189.00793	1.8
191.02193	1.4
195.04169	1.6
196.04916	1.0
201.00674	1.8
205.03836	1.7
205.05585	1.5
219.01839	3.5
219.05093	1.3
237.02847	6.0
241.06566	2.1
263.07974	1.2
302.07190	1.8
308.11353	2.1
314.08871	1.0
326.12326	3.7
344.09683	1.9
344.13565	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	343.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.9
55.01876	3.1
55.05511	18.5
57.03432	3.3
57.07072	3.8
67.05241	2.1
67.05511	21.5
69.03423	5.8
69.07064	100.0
69.43497	7.1
69.43901	18.5
71.04968	3.7
79.05499	14.4
81.07053	47.6
83.04955	3.8
83.08607	10.7
85.02896	4.0
85.06526	11.7
91.05466	16.9
93.07052	22.6
95.04958	9.9
95.08598	42.5
97.06528	7.4
99.08092	5.8
103.05441	5.6
105.07035	12.8
107.04933	8.9
107.08564	14.6
109.10150	18.9
111.08069	5.5
111.11713	31.4
115.05446	5.7
119.04913	3.8
119.08603	12.9
121.06457	4.2
121.10130	11.9
123.11689	11.8
128.06190	4.2
129.06992	7.1
129.12798	3.0
133.10144	7.6
134.99678	3.3
135.08131	4.7
135.11700	6.6
137.05984	15.7
139.11172	23.4
141.06886	4.7
145.10107	6.4
147.11681	4.1
149.05934	6.3
149.13235	5.5
151.03842	5.2
151.14697	3.9
153.12695	3.6
157.06552	3.4
157.10106	5.7
157.12234	6.9
159.11665	5.9
161.05994	14.8
161.09628	3.1
162.06694	3.2
163.07463	6.4
163.11125	6.1
163.14867	3.3
165.06976	5.1
165.09111	3.8
167.07059	15.0
167.08316	2.6
169.06377	3.4
171.11740	3.2
175.07552	6.3
177.06982	2.9
181.04982	4.1
181.06503	2.6
181.08585	9.2
181.10066	3.9
181.12102	3.2
183.08136	3.6
187.11215	2.8
189.09097	11.9
192.13918	5.0
194.07260	4.2
195.07947	6.5
197.13309	2.9
207.08069	4.2
209.06012	3.8
219.08018	3.2
221.05992	5.6
222.06805	2.9
223.07422	3.4
233.09628	4.0
235.07452	3.8
239.07141	8.3
255.10051	4.2
265.08646	6.6
265.12192	4.4
267.06549	3.9
269.08005	3.1
282.08771	7.8
283.09579	9.8
284.10327	4.8
285.07590	4.1
293.11670	7.0
297.11234	13.3
297.14667	4.3
300.09738	5.7
307.26273	14.9
311.09219	4.8
311.12695	13.6
315.12042	5.8
325.10678	5.2
325.14243	6.0
325.27258	5.9
328.09302	5.8
343.07977	7.4
343.11725	32.7
343.15305	14.2
343.22607	4.2
344.11722	4.0
344.15375	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	343.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50622	4.2
55.01862	6.5
55.05492	18.4
56.92502	4.3
57.07057	7.2
63.82210	5.1
67.05505	32.3
69.03418	9.0
69.07065	71.2
79.05470	21.6
81.07048	100.0
83.04955	8.7
83.08623	13.8
85.06525	19.0
91.05461	27.6
93.07038	46.1
95.04962	17.3
95.08602	61.5
97.06524	8.9
99.08089	13.9
103.05494	9.0
103.91932	4.4
105.07029	19.9
107.04925	14.5
107.08595	37.2
109.06509	6.6
109.10133	32.9
111.08078	19.2
111.11700	18.4
117.07018	6.7
119.08577	9.9
121.06487	8.0
121.10152	24.4
123.11705	49.4
125.11635	4.9
127.11212	4.7
128.06206	9.4
129.06989	18.5
131.08539	9.3
133.10133	9.1
135.11662	23.6
137.05969	20.2
137.09586	5.7
137.13194	10.1
139.11192	7.7
145.06493	7.7
147.11696	8.1
149.05945	5.5
149.13203	6.5
151.07526	8.8
153.05476	7.4
153.12701	32.9
157.06435	10.8
161.05957	8.7
163.07516	9.7
163.11119	6.8
165.12764	13.4
166.06212	6.0
167.07054	38.6
167.99434	6.2
174.06743	16.8
175.07558	11.1
181.08583	50.5
189.09097	43.7
196.38576	5.2
221.05885	4.8
223.96057	5.4
249.61920	5.1
265.08530	6.2
285.15900	5.6
289.25159	8.7
297.11240	8.2
307.26361	30.1
311.09250	7.5
311.12598	6.9
325.27505	7.6
343.11673	18.8
343.15433	20.0
344.11880	5.8
357.67749	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84562	3.3
51.19952	3.4
52.40002	3.2
54.82409	3.8
55.05505	18.5
63.50530	3.3
67.05494	10.1
67.73939	3.9
69.03428	5.5
69.07067	100.0
70.58688	8.1
70.59087	8.8
71.04966	4.7
79.05473	11.7
81.04230	3.4
81.07053	44.3
82.03727	4.4
83.08584	6.2
85.06535	5.5
91.05458	9.8
93.07024	19.8
95.04946	8.8
95.08600	39.0
97.10163	6.2
103.05468	3.5
105.07045	7.8
105.75470	3.7
107.04951	5.2
107.08568	8.7
109.10125	14.4
111.08053	5.8
111.11710	27.0
111.92097	3.3
119.08582	8.2
121.10127	10.9
123.11667	11.1
129.06999	5.4
129.12688	4.2
131.04948	7.6
131.08495	4.9
135.11685	4.4
137.05960	11.7
139.11147	23.3
147.11653	4.3
149.05920	4.4
151.14755	4.1
157.12213	5.9
161.05916	13.5
161.13293	5.0
163.07526	11.2
167.07106	5.6
175.07564	10.6
181.08496	11.7
189.09155	6.0
201.43018	4.9
265.08508	7.8
283.09875	4.3
293.11469	4.7
295.78876	3.8
297.11185	7.7
307.26361	12.0
311.12326	13.1
325.27448	7.7
343.11520	7.7
343.15317	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	343.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84227	2.4
53.89511	2.3
55.05501	14.2
57.07051	3.5
57.69517	2.7
59.75615	2.6
60.10044	2.3
61.62551	2.2
65.34848	2.2
65.98367	2.3
67.05487	9.6
69.07066	100.0
69.26913	10.8
69.27344	16.5
71.04967	3.3
79.05482	7.4
81.07048	32.8
83.08600	6.7
84.36277	2.6
85.06515	5.6
91.05477	6.9
93.07029	11.2
95.04960	3.6
95.08604	33.0
97.06519	5.2
97.10143	2.7
105.07025	6.9
107.08585	8.7
109.10152	10.3
111.08083	2.8
111.11716	24.6
119.08591	5.1
121.10118	10.2
123.11699	9.5
131.04855	3.2
133.10045	3.5
135.11655	3.3
137.05948	8.0
139.11186	26.7
145.10168	2.7
147.11678	3.9
149.13252	2.8
151.14789	2.9
153.12700	4.5
155.46466	2.3
157.12195	6.1
161.05972	3.7
163.07497	2.9
165.12741	5.8
181.08574	5.1
189.09129	5.7
289.25137	3.2
307.26208	12.9
311.12802	2.7
325.27353	8.8
343.11780	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	343.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30033	6.4
55.01876	10.0
55.05497	31.9
56.96556	8.9
57.03437	8.3
57.07079	12.4
67.05505	46.5
69.03434	8.9
69.06719	11.7
69.07066	96.4
70.93432	17.9
71.04986	20.4
79.05495	33.0
81.03405	12.9
81.07058	100.0
83.04987	10.1
83.08596	20.2
85.02890	10.4
85.06558	14.3
91.05471	34.3
93.07035	63.3
95.04972	21.9
95.08605	85.5
97.06534	11.4
97.10170	9.6
103.05456	8.0
105.07021	30.1
107.04929	18.2
107.08598	35.7
109.06510	18.0
109.10151	49.9
109.36632	7.5
111.08066	9.8
111.11726	19.9
111.63889	7.5
119.08601	14.2
121.06481	12.9
121.10129	45.9
123.08067	9.3
123.11710	24.4
125.09509	6.6
129.06946	15.2
131.08548	12.3
133.10129	16.0
135.11702	28.5
137.05971	33.6
137.13277	14.0
139.11208	11.3
141.07050	6.6
145.10133	15.9
147.11620	13.8
149.13214	8.6
151.07466	7.5
151.11162	16.7
153.01828	7.7
153.12756	8.9
157.06494	9.0
157.10132	11.5
159.11655	13.3
161.05986	13.0
161.13210	8.1
162.03143	6.9
163.07545	11.3
163.11200	24.9
165.06990	11.1
165.09174	8.4
167.07036	13.2
169.06419	7.6
171.11772	11.0
173.13338	12.4
175.07495	10.1
178.07956	8.7
181.06400	7.4
181.08655	17.5
181.12309	10.3
189.09145	18.4
194.07164	7.5
197.05951	7.7
221.06023	8.4
223.07581	11.6
236.08237	6.8
240.08020	7.7
257.07968	8.9
265.08548	12.2
282.08881	18.5
289.25214	7.8
297.11139	20.5
300.09961	10.6
307.26367	12.7
311.09235	9.8
311.12747	14.3
315.12277	14.7
325.14377	10.1
328.05875	8.4
343.08160	16.0
343.11798	78.2
343.15475	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	343.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	10.7
55.05514	24.0
57.07058	7.4
59.04965	6.5
62.33501	5.3
67.05503	32.2
69.03432	16.7
69.07065	100.0
71.04985	9.9
71.57880	6.8
71.58279	10.7
77.09992	5.4
79.05499	32.8
81.03397	6.4
81.07059	89.2
83.04958	6.7
83.08592	13.5
85.02898	8.0
85.06555	23.5
88.10080	8.1
91.05466	30.8
93.07030	51.2
93.31788	5.7
95.04970	17.0
95.08605	64.9
97.06509	15.2
99.08109	9.5
99.70696	5.9
101.06018	7.1
103.05436	15.7
105.07033	42.2
107.04947	14.5
107.08555	40.3
109.02901	6.9
109.06513	19.2
109.10144	37.7
111.08118	7.7
111.11715	21.7
115.05438	8.8
115.96278	7.4
117.06998	12.6
119.08600	26.0
121.06505	15.7
121.08543	5.7
121.10158	27.7
121.89594	6.9
123.04425	6.5
123.08096	8.7
123.11733	31.0
125.09598	7.6
128.06160	8.2
129.07010	21.6
131.04921	14.0
131.08582	15.1
133.06485	12.9
133.10126	25.0
135.08121	9.9
135.11697	16.1
137.06006	40.2
137.13297	8.2
139.11215	22.4
141.07031	8.6
145.10152	13.8
146.03625	10.0
147.04399	11.9
147.08040	12.3
147.11722	14.3
149.05975	8.9
149.13223	7.1
151.03882	10.0
152.06038	7.9
153.12743	11.6
157.06512	9.5
159.11693	15.8
161.06000	45.5
161.09653	10.7
161.13246	11.8
163.07581	11.5
163.11209	12.3
165.06995	12.2
165.12640	7.6
167.07042	21.8
169.06543	9.8
169.10181	7.2
173.09744	8.9
173.13271	12.1
175.07576	25.1
177.06953	7.8
177.09189	6.1
179.08597	6.0
181.04980	11.2
181.06435	11.9
181.08582	19.8
189.09120	29.2
192.13933	7.2
194.07214	10.6
195.08009	16.9
195.11504	7.2
205.06496	7.6
211.07413	9.5
221.06017	16.9
222.06731	9.2
223.07578	17.0
227.07155	6.7
235.07625	8.8
237.09076	10.9
239.07080	12.6
240.07651	10.6
241.08485	12.5
250.06352	8.6
251.07034	9.3
255.10173	8.4
257.04398	34.2
257.08170	13.8
265.08633	21.3
265.11920	6.2
267.06604	16.9
267.09943	8.1
269.08170	16.3
281.07898	7.0
282.08899	26.0
283.09680	16.6
285.07608	8.0
287.05536	9.8
293.11624	17.4
297.07874	12.1
297.11295	26.7
297.14786	8.7
300.09760	11.8
307.26312	8.2
310.08325	15.6
311.09232	14.0
311.12738	29.8
315.12216	11.5
325.06989	9.6
325.10797	8.5
325.14343	13.7
328.09442	13.8
343.08124	17.2
343.11813	90.6
343.15430	27.5
343.22644	13.8
343.26266	9.5
344.12042	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	343.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67871	3.6
53.03933	8.0
55.01858	8.2
55.05511	24.9
57.03424	13.4
57.07071	8.2
59.04996	5.5
67.05510	33.7
68.92689	3.6
69.03421	15.8
69.07066	15.6
69.66808	24.3
71.05001	27.4
79.05492	42.7
81.03443	8.6
81.07059	37.1
83.04951	6.0
85.06532	7.8
91.05489	52.5
93.07050	80.4
95.04976	69.9
95.08604	93.2
95.09175	7.7
97.06532	13.9
101.35986	3.4
105.07030	95.9
107.04956	9.0
107.08595	63.7
109.06516	22.0
109.10160	11.9
111.08052	4.2
115.05448	10.7
117.07034	28.4
119.08567	35.4
121.06516	21.9
121.10133	29.4
123.08066	29.7
123.11740	4.4
125.05948	5.0
125.09686	4.4
128.06235	5.7
129.07019	10.8
130.07788	23.3
131.08607	18.6
133.06483	5.9
133.10120	29.5
135.08041	27.3
135.11682	20.5
137.05923	4.3
137.09605	11.1
142.07797	4.5
143.08574	15.7
144.09454	3.8
145.06468	5.8
145.09045	8.0
145.10123	100.0
147.08116	18.8
147.11696	8.4
149.09615	11.4
151.07550	44.2
156.09343	4.5
157.10129	13.8
159.11678	14.4
161.09637	13.0
161.13216	9.3
163.11186	60.4
165.09106	20.4
169.10141	9.6
171.11719	6.7
173.09598	9.5
173.13280	13.9
177.09125	8.5
179.06996	4.7
181.12128	4.7
185.13315	5.5
186.94627	3.9
187.11165	5.9
189.12848	9.6
195.11609	4.6
198.06784	5.7
199.14876	6.0
203.10756	3.6
203.14299	7.1
207.13838	6.1
209.13326	5.0
215.14388	6.8
221.15366	24.2
223.14832	4.7
225.12878	4.4
227.14354	5.4
263.16440	11.4
281.18979	4.1
286.19254	4.8
325.21655	14.2
343.22662	67.3
343.26404	16.3
347.26071	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03947	5.3
55.01884	7.0
55.05491	20.9
57.07049	6.6
59.04999	10.3
65.03922	5.9
67.05504	37.2
69.03419	13.6
69.07056	13.3
69.84097	30.1
71.04993	24.7
73.38585	4.6
74.60720	4.3
79.05493	32.7
81.07061	41.9
83.04964	8.9
83.08633	5.4
91.05467	41.6
91.53677	5.1
93.07042	89.9
95.04977	58.7
95.08047	7.9
95.08605	85.1
97.06525	16.2
100.52703	4.3
105.07037	81.9
107.08585	75.1
109.06513	19.4
109.10146	18.8
114.84444	4.8
115.05447	8.0
117.07016	30.6
119.08559	42.3
120.34303	4.9
121.06496	19.8
121.10160	24.9
123.08066	26.8
123.11727	6.7
128.06209	5.0
129.07018	6.2
130.07787	18.9
131.08562	20.9
133.06494	10.4
133.10156	25.8
135.08095	28.8
135.11707	20.7
137.09583	4.8
143.08560	15.0
145.10114	100.0
147.08046	19.8
147.11687	11.3
148.08951	4.7
149.09618	14.7
149.13295	7.5
151.07542	45.1
153.09190	5.6
157.10118	11.5
159.08104	9.4
159.11664	18.0
161.09639	11.1
161.13254	6.4
163.11189	65.1
165.09114	17.3
169.10185	5.4
171.11755	12.0
173.09624	6.2
173.13231	5.5
175.11256	10.5
185.13214	9.5
187.11201	11.2
189.09079	7.8
189.12735	11.3
203.14330	9.1
205.08362	11.3
213.16406	5.9
215.14337	5.4
221.15355	22.4
228.60170	5.1
286.19254	5.9
325.21570	19.6
325.25049	7.1
343.15210	49.6
343.22583	75.0
343.26303	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	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03946	5.6
55.01859	6.8
55.02125	3.6
55.05504	18.6
57.03437	9.8
57.07069	12.6
59.05014	6.4
62.13054	4.1
64.20515	3.9
67.05501	29.6
69.03424	19.6
69.07059	9.6
69.27717	47.7
71.04987	23.9
79.05492	29.3
81.03422	6.8
81.07058	33.1
83.04974	5.0
85.06522	7.4
91.05468	37.6
93.07043	69.4
95.04964	70.5
95.08605	90.7
97.06524	16.1
98.21621	6.9
103.05453	4.2
105.07019	84.1
107.04974	6.1
107.08590	64.9
109.06534	23.8
109.10193	7.9
115.05462	6.6
117.07027	38.6
119.08581	32.3
121.06512	14.7
121.10157	21.0
123.08077	32.1
128.06241	5.6
129.07011	6.8
130.07820	22.0
131.08594	11.9
133.06485	7.1
133.10120	16.7
135.08070	33.5
135.11685	16.4
137.09543	10.3
143.08548	15.2
145.10124	100.0
147.08043	16.9
147.11684	5.2
149.09618	8.9
151.07542	57.6
156.09294	4.8
157.10136	11.8
159.11722	12.2
161.09657	10.8
163.11191	76.1
164.11639	4.6
165.09052	19.6
169.10185	5.8
171.11693	7.0
173.13277	5.2
177.09140	10.7
179.06978	8.5
187.11186	9.2
189.12755	12.6
197.13266	4.5
199.11232	5.5
203.14328	10.8
207.10118	5.3
207.13747	5.0
209.15306	5.3
215.14232	4.8
221.15364	29.3
223.14726	5.5
241.16057	4.7
263.16431	8.9
286.19324	9.0
325.21622	14.1
343.22702	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.7
54.12754	2.7
55.01866	3.6
55.05493	2.6
56.70159	2.2
57.03438	4.1
60.86217	2.4
61.02913	6.6
67.05497	7.8
69.03441	20.4
69.07089	3.1
71.01331	3.1
71.04985	6.6
71.57240	4.4
77.05045	2.6
79.05502	12.8
81.03410	10.5
81.07067	26.0
83.04967	10.0
85.02435	3.5
85.02908	43.6
91.03989	2.7
91.05467	8.8
93.07019	16.2
95.04962	19.8
97.02879	15.5
97.06576	4.7
99.04424	5.8
105.07024	11.1
107.04973	3.2
107.08575	12.9
109.02903	4.8
109.06512	17.2
117.06998	5.8
119.08563	3.9
121.06522	5.9
121.10136	8.4
125.05974	9.2
127.03909	11.5
130.07729	3.3
133.10161	3.2
135.08061	5.1
135.11658	6.8
137.05994	19.9
141.09146	3.3
145.04941	7.0
145.10144	16.5
147.08020	4.5
163.11176	100.0
167.82401	2.4
175.11168	4.2
181.12236	18.0
190.04991	5.9
209.92221	2.7
343.13629	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	343.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.7
54.12754	2.7
55.01866	3.6
55.05493	2.6
56.70159	2.2
57.03438	4.1
60.86217	2.4
61.02913	6.6
67.05497	7.8
69.03441	20.4
69.07089	3.1
71.01331	3.1
71.04985	6.6
71.57240	4.4
77.05045	2.6
79.05502	12.8
81.03410	10.5
81.07067	26.0
83.04967	10.0
85.02435	3.5
85.02908	43.6
91.03989	2.7
91.05467	8.8
93.07019	16.2
95.04962	19.8
97.02879	15.5
97.06576	4.7
99.04424	5.8
105.07024	11.1
107.04973	3.2
107.08575	12.9
109.02903	4.8
109.06512	17.2
117.06998	5.8
119.08563	3.9
121.06522	5.9
121.10136	8.4
125.05974	9.2
127.03909	11.5
130.07729	3.3
133.10161	3.2
135.08061	5.1
135.11658	6.8
137.05994	19.9
141.09146	3.3
145.04941	7.0
145.10144	16.5
147.08020	4.5
163.11176	100.0
167.82401	2.4
175.11168	4.2
181.12236	18.0
190.04991	5.9
209.92221	2.7
343.13629	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	343.1902
Annotation	Malabaricone B
Peak:m/z	Relative Intensity
51.02378	2.1
53.03941	8.3
55.01862	3.1
55.05264	1.2
55.05511	18.5
56.96554	1.0
57.03436	1.1
60.12998	0.7
65.03934	1.3
67.05499	3.2
69.35860	3.3
69.36291	4.1
73.61624	0.8
77.03934	1.8
79.05492	55.5
81.03436	1.4
81.07049	2.3
83.04990	1.3
83.52309	0.8
91.05476	33.9
93.07047	16.8
95.04968	22.8
95.08600	3.3
101.02409	1.2
103.05439	0.9
105.04511	3.7
105.06999	4.0
107.04951	100.0
107.08580	3.9
108.05270	1.1
109.06509	0.9
111.31802	0.7
117.07016	2.8
119.08580	2.2
121.06507	9.2
121.10139	9.5
123.08056	1.0
129.05444	1.6
129.06995	2.4
131.08598	2.6
133.10095	1.5
137.18414	0.7
141.06996	1.0
143.08565	3.1
145.06456	1.2
145.10132	1.7
147.08041	1.1
149.09619	36.2
155.08582	1.2
157.06526	1.2
157.10158	2.0
158.87450	0.7
159.11697	1.7
165.07018	1.1
167.08414	1.1
169.10081	1.1
171.08043	1.6
171.11671	1.6
175.11148	1.0
181.10175	1.0
183.07994	0.9
185.09720	1.0
187.11092	0.9
195.10078	1.3
195.11700	1.1
199.11214	1.0
199.14796	1.0
213.16412	1.1
223.09567	1.5
223.14763	0.9
225.12767	1.0
227.14291	1.2
241.15889	2.7
269.15350	3.4
343.19000	27.4
343.22586	2.2
343.26105	1.7
344.19232	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1538
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
53.03938	2.1
55.01881	2.0
63.23264	1.3
65.03926	1.8
69.03416	2.2
69.07043	1.5
69.82845	9.5
74.74964	1.3
77.57008	1.4
79.05477	4.7
81.07044	10.4
87.04472	2.6
91.05473	8.1
93.07067	1.7
94.04222	1.7
95.04949	3.1
95.08623	2.7
99.08106	4.1
100.66573	1.5
103.05453	12.5
105.07024	14.1
107.04964	7.3
107.08599	2.0
109.06493	1.9
109.10165	1.7
115.05460	7.6
117.07010	1.8
118.04128	2.3
119.04903	2.6
119.08625	1.5
121.02876	1.7
121.06525	2.3
122.03630	3.4
124.05115	1.4
127.03915	1.9
129.07025	2.5
131.04930	15.8
131.08598	1.6
132.05687	2.0
133.06461	8.3
135.08043	2.3
137.05977	36.8
141.06992	4.9
145.06462	2.1
146.03613	16.9
148.05276	1.9
149.05989	6.2
150.48772	1.7
151.03954	2.6
151.07524	8.7
153.01913	2.0
160.05167	3.7
161.05974	100.0
162.06371	4.4
163.07541	32.0
163.08804	2.8
165.07025	6.0
166.07744	3.5
167.08484	1.8
169.06419	4.0
173.09584	1.7
174.06717	1.7
175.07536	52.6
175.09029	3.3
176.07755	2.2
177.06978	2.2
178.07770	3.2
179.08565	8.7
181.06477	3.8
181.08543	4.2
189.07034	2.3
189.09183	4.2
190.07759	5.1
191.08519	3.1
192.07669	1.7
193.06592	1.7
193.08585	6.0
194.07268	11.9
195.07999	5.9
196.08858	2.8
201.09071	3.0
203.08543	3.9
204.09216	3.0
205.06532	8.9
205.10176	9.5
206.07202	2.2
207.07997	11.7
208.08911	3.0
209.06065	4.3
209.09691	4.4
210.06732	2.0
211.07552	2.9
215.08623	3.4
218.07297	5.9
219.08109	3.8
219.10068	3.9
221.06006	10.1
221.09543	3.4
222.06706	12.2
222.10378	4.7
223.07544	4.4
223.11058	1.5
224.08334	6.1
225.09056	3.6
231.08151	2.0
232.08813	5.1
233.05957	4.1
233.09586	16.6
234.06783	5.1
234.10423	2.4
235.07481	16.4
236.08194	4.3
237.05501	6.3
237.09082	17.0
239.07060	2.7
239.10704	4.2
240.07762	1.8
241.08598	2.7
247.07620	3.4
247.11340	1.8
249.05516	3.1
249.09183	5.5
250.06348	13.2
250.09801	8.2
251.07072	5.0
251.10620	4.4
252.07838	6.9
253.08594	5.3
254.09259	2.9
260.08334	1.7
261.09100	15.6
262.09814	3.7
263.07019	8.5
264.07797	5.3
265.08609	45.0
265.12210	10.3
266.09186	4.8
267.10129	12.9
269.08112	8.4
269.11154	1.4
277.08487	3.3
278.09372	12.6
279.10068	4.7
281.08008	3.0
282.08832	8.4
283.09763	2.5
283.13297	4.5
284.10474	11.0
293.11728	27.9
294.12189	1.8
295.09607	5.8
296.10397	3.0
297.11288	31.7
297.14819	5.5
298.11407	1.7
299.05426	2.0
299.12747	16.5
310.12067	6.0
311.09235	6.0
311.12708	69.7
312.13199	4.1
313.10745	1.9
325.14297	20.6
328.12845	1.9
343.08530	2.1
343.11734	5.2
343.15317	46.7
361.02203	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1537
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
50.04256	2.0
50.77998	1.8
53.03938	2.5
55.01865	4.9
55.05498	2.1
65.03941	3.9
67.05506	5.1
69.03427	5.1
69.66284	5.2
69.66708	8.4
71.01331	2.5
71.04971	3.6
78.04699	3.9
79.05482	15.8
81.03405	3.8
81.07047	8.0
83.04985	5.8
85.02902	5.0
85.06538	3.0
89.03912	3.4
91.05469	31.5
92.06245	2.6
93.07035	12.1
94.04198	4.5
95.04951	15.0
95.08626	2.5
97.02853	2.3
102.04676	7.0
103.05466	31.7
105.03411	4.5
105.07012	20.5
106.04184	4.9
107.04941	37.0
107.08575	4.0
109.02901	3.2
109.06512	5.9
111.04418	2.1
115.05431	13.6
117.07051	7.2
119.04935	8.2
119.08607	3.8
120.05722	2.7
121.06490	13.7
121.10178	1.9
122.03659	7.3
122.07280	8.8
123.04453	5.8
124.05196	2.6
125.05939	2.1
128.06195	8.2
129.06990	22.4
130.04156	8.4
131.04936	24.2
131.08562	8.0
132.05727	3.5
133.06474	11.9
135.08038	7.0
137.02396	1.9
137.05969	100.0
141.06992	6.6
143.04929	2.5
145.06497	5.9
146.03601	7.4
147.04396	17.6
147.08008	4.4
149.05949	18.7
151.03902	8.5
151.07535	10.8
152.04684	2.4
152.10782	2.4
153.05441	4.7
153.06937	2.1
157.06494	10.0
158.07265	5.6
159.08051	5.2
160.05176	2.8
161.05963	41.9
161.09598	2.5
162.06757	19.5
163.07539	41.5
163.11247	3.1
165.05493	2.7
165.06888	3.9
166.06277	7.0
166.07623	2.4
167.07060	28.3
167.08464	3.3
168.05742	2.2
169.06512	5.5
173.09613	9.2
174.06714	11.7
175.07513	40.6
177.05510	6.7
177.06932	3.3
177.09131	6.2
178.07764	2.9
179.07239	2.1
179.08508	10.3
181.04999	4.5
181.06697	4.6
181.08562	45.5
183.08044	2.4
187.07523	3.0
189.07208	3.4
189.09076	46.7
190.07816	6.8
190.09435	3.4
191.08546	5.1
193.06416	3.3
193.08624	3.8
194.07286	7.9
195.08028	7.3
197.09869	2.4
201.09209	5.3
205.06448	12.1
205.10146	7.8
206.07059	2.8
207.08073	10.2
208.08827	3.0
209.05933	3.7
209.09596	3.1
211.07578	6.3
212.04739	2.8
215.08528	3.8
218.07312	7.6
219.08121	5.1
219.10036	18.0
221.05956	5.3
221.09515	5.8
222.06741	7.2
222.10260	3.8
223.07585	6.8
223.11186	3.7
224.08388	3.3
225.09100	4.4
233.06050	4.9
233.09608	14.1
234.06702	3.6
235.07504	8.7
236.08307	5.3
237.05441	4.9
237.09091	12.6
239.06972	3.4
239.10753	4.1
241.08531	4.8
249.08963	3.1
250.06212	5.3
250.09862	9.9
251.06978	10.0
251.10680	4.5
252.07785	3.6
253.08690	5.6
254.09363	6.8
261.09076	7.5
263.07248	3.0
264.07849	3.9
264.11627	2.4
265.08621	28.0
265.12222	9.2
266.09146	4.1
267.06827	3.1
267.10178	11.5
268.10754	2.9
269.08096	8.6
278.09427	4.9
279.10165	5.9
281.08163	8.0
282.08878	15.2
282.12057	2.7
283.09784	4.1
283.13321	7.1
284.10455	10.8
293.11722	23.0
294.12344	6.0
295.09760	5.2
296.10474	5.1
297.07800	5.3
297.11221	73.7
297.14807	13.7
298.11722	4.5
298.14871	2.4
299.12741	20.6
310.11948	6.1
311.12732	97.6
312.13245	5.4
313.06894	2.6
315.16061	2.8
325.07193	2.1
325.14285	34.5
328.13080	3.0
343.08127	4.1
343.11594	4.2
343.15338	49.8
344.15738	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1537
Annotation	Pukalide aldehyde
Peak:m/z	Relative Intensity
55.05501	1.6
55.48816	1.3
71.57780	1.2
71.58164	1.4
79.05484	3.8
80.51425	1.1
81.07051	2.0
83.04948	1.4
91.05473	3.1
93.07024	1.6
94.04168	3.1
95.04961	3.7
99.85929	1.0
105.07024	3.0
107.04963	2.8
107.08588	1.9
109.06512	1.7
119.08578	1.7
121.02878	3.2
121.06534	2.8
121.10121	1.6
122.03625	2.9
129.06992	1.9
131.08502	1.5
135.04445	3.0
135.08055	5.2
137.05974	1.3
144.05684	1.6
145.06517	1.7
145.10091	1.6
147.08041	1.3
151.07556	9.4
155.07011	3.6
159.08051	5.2
161.09567	1.2
165.05487	38.8
165.06880	3.9
166.07870	1.1
167.08603	1.2
177.07050	1.3
179.08701	1.6
181.06497	3.5
182.07251	2.6
183.08122	2.9
185.09618	1.0
190.07782	1.1
191.08514	1.4
193.10266	2.0
194.07239	1.9
195.08032	5.7
196.08696	1.0
197.09595	2.1
198.06711	2.9
201.09106	1.2
203.08597	1.2
207.08083	4.9
208.08832	4.4
209.05927	1.4
209.09532	2.9
211.07593	7.0
211.11147	1.4
211.83244	1.0
213.09175	6.2
219.08057	2.7
221.09602	4.3
222.10416	2.9
223.07547	6.4
223.11171	4.2
224.08231	5.4
225.09125	6.2
226.06160	3.3
227.10541	1.2
233.09685	2.0
234.10400	5.5
235.07535	4.0
235.11038	5.1
236.08356	3.8
237.05386	1.7
237.09135	6.6
238.09859	2.7
239.06944	5.2
239.10684	11.6
240.07687	1.2
240.11324	2.4
241.08495	3.9
241.12109	1.6
249.09109	3.5
250.09866	3.3
251.10696	16.9
252.11394	1.4
253.08574	17.3
253.12419	1.6
254.09331	3.2
255.09906	1.2
256.11032	1.4
261.09070	2.0
265.08600	3.0
265.12271	6.0
266.13028	13.7
267.06848	7.1
267.10147	11.9
267.13141	2.0
268.07288	3.7
268.10782	1.5
269.08112	6.6
269.11404	1.8
279.10226	2.7
281.08102	12.4
281.11539	1.8
282.08859	13.0
282.12454	4.5
284.10397	18.0
284.13272	1.7
294.12518	3.6
295.09622	3.5
297.11212	100.0
297.14844	72.5
298.11557	5.9
298.15076	3.1
300.13519	1.3
307.13470	1.6
309.11011	1.3
310.11990	5.4
315.15894	20.7
325.14328	58.3
326.14713	2.7
343.12201	1.8
343.15396	49.6
343.22461	2.1
344.15762	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	343.1538
Annotation	Pukalide aldehyde
Peak:m/z	Relative Intensity
51.54171	2.0
53.57204	2.1
54.29206	1.9
54.63234	2.2
55.01861	2.9
55.05503	5.1
57.03395	2.2
62.12543	2.3
62.44493	2.3
65.03938	2.5
67.05493	9.7
69.03416	7.1
69.07060	8.1
69.24282	6.7
69.24686	20.9
71.04973	3.2
73.70725	2.2
76.26532	2.2
77.07934	2.4
79.05487	13.7
81.03430	3.9
81.07062	18.1
85.02907	4.3
91.05482	10.7
93.07040	13.2
95.04963	7.7
95.08601	15.9
97.06522	2.8
97.10135	2.9
98.21629	4.0
102.64050	2.3
105.07021	11.3
107.04959	7.1
107.08605	11.7
109.06499	4.9
109.10123	9.6
119.08581	6.0
121.06498	5.2
121.10111	5.8
122.03600	2.5
123.08026	3.0
123.11681	5.8
128.06172	3.0
129.06975	6.6
131.04858	5.3
131.08586	6.6
133.10146	5.1
135.08029	5.7
135.11682	4.1
136.05183	2.6
137.05969	14.4
137.13243	4.1
144.05696	4.3
145.10106	5.2
147.08064	2.3
147.11681	3.5
149.05920	4.2
151.03908	4.5
151.07582	11.4
152.06183	2.5
153.05573	2.3
155.07011	4.8
157.06517	2.9
157.10129	3.9
159.08049	7.3
159.11728	3.9
161.05922	8.4
163.07549	3.4
163.11191	6.1
163.46796	2.4
165.05469	33.6
165.06990	6.5
165.16217	2.6
166.07791	2.7
167.07066	5.5
169.06445	3.0
171.11487	2.3
173.09576	3.6
173.13266	4.1
175.07509	6.6
179.08543	4.8
181.06398	2.9
181.08566	5.3
182.07098	2.7
183.08043	3.9
183.11594	3.6
189.09113	9.0
193.06464	3.7
193.10223	3.0
194.07259	5.2
195.08089	7.9
196.08757	2.7
197.06053	4.0
207.08020	4.2
208.08890	2.8
209.09615	3.5
211.07498	7.7
213.09068	7.0
221.05963	4.0
221.09592	2.6
222.06738	5.8
223.07455	5.4
223.11215	6.6
224.08189	4.2
225.09216	5.5
226.06332	3.4
234.10397	6.9
235.07538	5.6
235.11250	5.6
236.08287	5.5
237.09070	9.0
237.43747	2.9
239.06992	8.5
239.10663	12.8
240.07718	3.1
240.11513	3.3
241.08553	3.2
250.09894	5.2
251.06828	3.0
251.10654	17.3
251.20461	2.7
253.08646	20.5
254.09183	4.6
257.08209	4.2
261.09238	3.0
265.08615	8.3
265.12216	5.2
266.13010	9.8
267.06522	8.7
267.10129	10.8
268.07288	4.0
268.10806	5.6
269.08020	11.1
269.11545	2.4
281.08105	12.1
281.11249	2.8
282.08826	15.6
282.12070	5.3
283.09555	5.7
283.12946	3.3
284.10422	16.1
285.07507	2.7
293.11533	5.7
295.09430	3.5
297.11188	100.0
297.14832	70.9
298.11508	4.6
298.14911	4.7
300.09778	4.0
307.26511	3.3
310.11823	4.7
311.12521	5.5
315.12454	4.4
315.15823	19.6
325.11011	2.2
325.14334	61.6
343.11688	22.4
343.15393	54.3
343.18903	3.3
343.22253	3.2
343.26184	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	343.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48073	2.1
50.55163	2.0
55.01862	3.1
55.05503	5.5
57.03416	3.1
63.20850	2.3
67.05488	7.3
69.03429	4.0
69.07054	8.7
70.31619	2.3
71.08613	2.3
79.05487	11.7
81.07046	14.1
83.05008	2.9
83.08607	3.1
85.02877	3.0
85.06532	3.6
91.05477	16.1
93.07043	8.8
95.04963	6.0
95.08598	9.0
97.02871	2.8
97.06522	2.3
100.64284	2.4
103.05480	19.5
105.07037	23.0
107.04935	7.9
107.08601	6.8
109.06509	5.3
109.10148	5.2
111.04372	2.3
115.05429	11.0
117.07011	7.0
119.04884	3.4
119.08572	7.9
121.06509	5.4
121.10139	5.1
123.11652	2.9
128.06171	6.1
129.07014	8.4
131.04930	22.5
131.08592	3.0
133.06487	10.7
133.10162	3.5
135.08008	5.4
137.05963	36.0
141.06978	4.0
146.03633	10.3
147.04460	2.9
147.07957	3.8
149.05992	13.3
151.03859	6.1
151.07542	9.8
153.05443	3.1
153.06990	2.7
157.06461	3.2
157.10094	3.6
159.11636	3.0
160.05208	3.2
161.05971	100.0
161.09586	2.5
162.06474	3.7
163.07521	27.1
163.11130	3.1
165.07047	7.4
166.07730	5.2
167.07013	10.3
167.08318	2.8
169.06462	4.2
173.09592	8.8
174.06779	5.9
175.07544	47.8
177.07033	3.7
178.07776	4.4
179.08542	8.3
181.05019	3.1
181.06511	7.2
181.08566	16.0
181.10019	3.2
183.07990	2.9
189.07379	2.6
189.09122	16.3
190.07816	5.9
191.08546	2.8
194.07291	13.1
195.08035	7.4
195.11598	2.5
196.08768	3.4
201.09009	3.1
202.07761	2.9
203.08588	3.1
205.06497	9.5
205.10118	9.5
206.07262	3.1
207.08098	14.6
208.08640	2.6
209.06058	4.0
209.09637	5.7
211.07614	5.3
214.17986	5.2
215.08658	3.0
215.18335	12.6
218.07271	7.4
219.08003	6.7
219.09990	4.4
221.05945	9.0
221.09592	4.6
222.06866	13.4
222.10294	5.0
223.07458	4.4
224.08365	6.3
225.09044	3.2
229.32576	3.4
231.08008	3.1
232.08887	4.4
233.06041	4.9
233.09633	18.1
234.06792	6.4
234.10503	3.0
235.07565	18.7
236.08353	7.5
237.05450	7.6
237.09099	16.8
237.12851	3.5
239.07002	3.7
239.10698	5.5
240.07703	4.1
241.08698	3.5
247.07704	2.7
249.05629	2.4
249.09105	4.2
250.06195	12.4
250.09903	7.4
251.06900	7.4
251.10493	3.9
252.07819	6.6
253.08588	4.2
254.09477	4.0
261.09079	16.4
263.07007	7.5
264.07800	8.0
265.08591	43.5
265.12036	5.3
266.08975	5.1
267.06830	3.0
267.10120	14.1
269.08127	11.5
275.10803	3.1
277.08740	3.2
278.09424	10.5
281.08044	5.5
282.08820	17.5
283.09744	3.8
283.13242	3.8
284.10358	14.8
285.07541	2.8
293.11621	30.2
294.12372	4.8
295.09613	4.9
297.11227	50.9
297.14755	8.7
298.11270	4.2
299.12698	15.8
300.09827	3.2
310.11960	10.1
311.09189	4.7
311.12747	68.7
311.16217	4.9
312.13000	7.7
315.15942	3.7
323.47305	2.5
325.10956	3.7
325.14334	22.5
326.14728	2.7
343.08026	4.1
343.11703	19.3
343.15427	61.5
343.22351	4.4
344.12100	3.1
344.15823	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	343.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	8.9
57.59702	4.6
69.03385	4.5
69.59888	22.2
69.60301	9.2
79.05494	10.0
81.03419	8.8
81.07062	4.9
85.02894	5.1
93.07047	5.0
95.10765	4.3
103.05469	9.2
105.07031	58.2
122.03656	7.3
133.06490	100.0
137.05977	80.2
148.31642	3.3
153.01811	3.8
165.09119	43.6
259.07861	8.6
282.24438	3.8
343.13696	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	343.1538
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
53.03949	2.4
54.16577	2.8
55.01877	2.5
58.26908	2.1
65.43715	2.1
67.24774	2.5
69.03425	3.4
71.01331	3.3
71.04178	6.1
79.05487	11.3
80.26598	2.2
81.07079	3.7
91.05486	24.1
93.07034	3.5
94.04198	2.7
95.04975	8.8
102.04707	6.9
103.05475	26.4
105.03411	4.8
105.07037	14.2
107.04949	38.0
109.06550	2.9
115.05444	16.1
117.07032	5.4
119.04969	3.4
121.06493	6.5
121.10198	3.1
122.03683	4.5
122.07285	8.7
129.06979	2.7
130.04138	6.5
131.04915	20.1
133.06482	5.8
135.08029	10.2
137.05980	56.3
140.01099	2.8
141.06955	4.1
143.25838	2.2
143.50870	2.2
145.06482	2.7
146.03661	8.8
147.04393	11.1
147.08072	5.9
149.05965	10.9
149.09593	3.8
151.03896	4.1
151.07549	9.5
152.95299	2.4
160.05168	5.5
161.05994	38.0
162.06761	20.0
163.07526	33.3
165.05521	2.4
165.07022	5.0
166.07883	2.4
169.06525	4.1
169.12325	2.7
173.09618	4.3
175.07539	44.7
177.09148	8.4
179.07059	2.7
179.08611	5.5
179.10570	3.5
181.06485	3.2
181.08569	5.1
190.07819	5.3
191.08652	2.2
193.06548	2.2
193.08430	3.3
194.07318	7.4
201.09097	2.5
202.79240	2.3
203.08574	3.3
204.09325	2.5
205.06444	5.1
205.10155	7.1
207.08047	8.3
209.09666	3.2
215.03195	2.8
215.08545	3.0
218.07307	6.7
219.08215	4.5
219.10043	14.3
221.06042	4.2
221.09567	5.0
222.06741	10.5
223.07489	3.5
224.08321	4.9
231.07983	2.4
233.06137	5.4
233.09637	13.5
234.06607	3.0
234.10486	3.0
235.07553	6.9
236.08421	4.3
237.05431	3.4
237.09026	13.6
239.06993	3.3
239.10696	2.8
241.08653	5.4
249.09164	4.2
250.06235	7.2
250.09914	5.7
251.07068	4.3
251.10733	3.4
252.07887	5.4
253.08772	4.5
254.09508	5.1
261.09198	9.2
262.09821	2.9
263.07031	4.5
264.07855	4.1
265.08618	27.1
265.12183	7.9
266.09192	2.8
267.10214	9.5
269.08087	9.0
279.10269	3.4
281.08127	5.0
282.08884	12.7
283.13391	3.5
284.10446	9.2
287.01135	2.2
293.11749	21.0
294.12598	2.8
295.09793	2.8
297.11252	45.7
297.14835	8.4
299.12857	23.5
310.11859	5.2
311.12778	100.0
312.13181	4.3
313.35696	2.2
325.14294	25.5
343.15424	34.4
344.15372	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	343.1539
Annotation	Arisantetralone A
Peak:m/z	Relative Intensity
53.03939	2.8
53.77444	1.7
55.01876	5.4
55.05509	7.9
56.96569	2.5
57.03414	1.7
57.07089	3.3
63.18606	1.7
65.01339	1.7
65.03951	2.3
67.05505	10.5
69.03432	2.7
69.07067	13.6
71.05015	2.7
71.57790	2.8
77.28761	1.7
78.04731	1.8
79.05490	17.7
81.03420	3.2
81.07056	24.0
83.04964	2.7
83.08636	3.0
85.02908	2.5
85.06551	5.1
91.05475	28.8
93.07038	15.5
95.04963	11.1
95.08610	14.6
97.02918	2.2
97.06511	3.2
102.04675	4.6
103.05466	18.9
105.03432	4.2
105.07027	20.6
106.04178	3.8
107.04957	29.1
107.08597	7.1
108.47681	1.9
109.02870	2.8
109.06533	6.9
109.10157	9.6
111.11738	3.2
115.05437	12.4
117.07011	8.9
118.39452	1.9
119.04935	6.8
119.08586	7.0
121.06499	6.2
121.10174	5.9
122.03676	3.3
122.07274	9.5
123.04440	3.9
123.11722	4.5
126.99693	1.6
128.06227	5.9
129.07021	8.9
130.04147	5.6
131.04932	21.7
131.08560	4.4
132.05699	2.6
132.65544	1.8
133.06445	8.4
133.10126	5.6
135.08080	6.3
135.11674	6.6
137.05981	45.5
137.13243	3.1
139.11174	1.7
141.06964	3.7
143.08575	1.9
144.05721	3.2
145.06509	4.7
145.10112	5.0
146.03636	6.2
147.04448	10.0
147.08089	3.0
147.11749	2.6
148.08852	2.2
149.06021	11.2
149.13266	3.1
151.03899	4.6
151.07542	19.4
153.01830	2.4
153.05461	2.4
155.08516	1.9
157.06442	3.2
157.10164	2.1
158.07286	3.0
159.08099	3.6
159.11684	2.0
160.05191	3.5
161.05980	30.1
161.09654	3.1
161.13237	2.8
162.06732	13.7
163.07526	27.8
163.11195	4.2
165.06973	4.9
167.07080	4.3
169.06470	3.9
173.09653	5.5
174.06824	3.5
175.07529	28.3
177.05553	3.9
177.09152	1.9
177.16356	2.6
178.07755	3.4
179.08553	4.6
181.06491	5.2
181.08626	11.5
181.12219	2.6
189.07085	3.4
189.09109	10.1
190.07796	3.8
191.08560	3.1
194.07268	6.7
195.08072	4.3
197.05969	2.8
201.09052	4.9
203.08611	3.2
205.06519	7.1
205.10126	6.2
207.08044	3.7
208.08760	3.5
209.05873	2.7
209.09718	3.5
211.07549	6.3
213.08942	2.3
215.08617	2.9
218.07274	4.2
219.08180	3.0
219.10205	15.5
221.06049	5.2
221.09703	4.3
222.06741	7.4
222.10320	3.0
223.07565	7.3
223.11162	1.9
224.08391	4.9
233.06090	2.7
233.09612	9.0
234.06705	2.2
234.10431	2.1
235.07417	8.6
236.08344	4.7
237.05614	2.5
237.09068	10.1
239.07076	5.9
239.10783	3.2
241.08635	4.2
247.07556	3.6
249.05392	3.4
249.09215	2.6
250.06230	3.8
250.09944	5.1
251.07001	5.7
251.10664	2.0
252.07722	3.1
253.08623	3.2
254.09448	4.2
255.10362	2.3
257.08252	2.9
261.09155	3.6
263.07080	3.2
264.07782	2.9
265.08621	22.6
265.12167	7.5
267.06503	3.3
267.10098	6.1
269.08057	7.3
278.09402	4.5
279.10132	6.1
281.08154	5.5
282.08792	12.6
283.09528	2.7
283.13156	4.6
284.10294	10.3
285.07629	1.8
293.11679	19.1
294.12393	3.4
295.09665	2.2
296.10538	3.6
297.07800	2.8
297.11227	41.8
297.14862	10.9
299.12744	15.7
310.11874	4.0
311.09308	6.2
311.12732	100.0
312.13354	4.0
315.15894	3.4
320.65485	2.2
325.14325	25.9
343.04541	2.8
343.08163	6.7
343.11719	18.4
343.15417	38.1
343.22626	3.2
344.12039	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	342.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
55.05265	0.8
55.05508	9.4
56.05025	1.0
57.03424	0.7
59.04988	1.5
62.06077	2.5
67.05501	4.8
69.03437	1.0
69.07066	4.6
69.93852	3.3
70.06580	1.9
71.04968	1.5
71.08285	0.9
71.08627	10.5
72.08144	1.6
78.12823	0.5
79.05492	4.4
80.05804	0.8
80.18166	0.8
81.03410	2.0
81.07049	6.6
82.07363	1.4
83.04550	0.8
83.04985	8.8
83.08609	0.9
84.04490	3.7
84.08133	0.7
85.02894	1.6
85.06535	1.3
86.06065	18.2
86.09673	1.1
91.05453	3.9
93.07050	7.6
94.07391	0.9
95.04941	2.2
95.08602	4.1
96.08113	6.2
96.08919	1.0
97.02892	0.7
98.05992	0.7
98.09692	11.6
98.20746	0.8
99.08099	3.2
100.07602	0.9
101.06011	6.8
103.05452	1.5
105.07024	2.1
106.07368	0.6
107.04915	1.7
107.08588	3.0
108.08114	1.7
108.08831	0.8
109.06535	1.5
109.10127	2.4
110.09721	1.0
110.10451	1.2
111.04438	6.5
111.11700	0.9
114.09128	0.9
116.10728	30.7
117.07014	1.2
119.04863	0.7
119.08577	6.6
120.08057	0.7
120.08880	0.8
121.06494	1.8
121.10104	1.7
122.09641	1.7
123.04421	0.9
123.11681	1.3
124.07594	1.8
128.06143	0.7
129.05493	3.9
129.06992	1.1
131.04915	1.6
131.08582	0.9
133.10124	1.2
134.09622	1.7
134.10522	0.7
135.08098	0.9
136.07553	0.7
137.05997	4.1
137.09596	2.5
138.06355	1.0
138.09134	2.6
142.07578	0.9
142.08636	12.7
142.09718	0.8
142.12277	4.2
143.10664	12.1
145.10103	1.3
146.09605	0.8
147.06468	0.9
147.08055	0.8
149.05989	0.8
149.09647	0.8
149.13261	0.7
152.10699	1.0
153.01740	1.1
153.05487	1.0
154.08609	0.8
155.07018	2.5
159.08022	0.8
160.13290	2.2
161.05916	1.0
162.12766	1.0
163.07512	1.0
163.11145	1.1
164.10698	7.1
167.07056	2.1
167.08459	0.6
173.08107	2.2
175.07491	1.0
179.08484	0.7
180.10095	0.8
180.13797	2.3
181.08620	1.5
182.15404	5.7
184.13383	1.3
187.07550	1.1
188.07918	1.0
189.09117	1.7
190.12238	6.1
192.07747	0.9
195.07881	0.7
196.16953	1.1
198.14867	3.0
208.13312	9.9
214.17996	14.6
222.09984	0.9
226.14374	34.4
227.14651	1.1
235.07108	0.6
244.15437	100.0
245.15710	3.0
250.09425	1.0
251.06905	0.8
262.23770	1.1
265.08481	1.3
282.08890	0.9
282.11948	1.1
283.09674	0.8
297.11237	1.9
310.11703	1.9
311.08942	0.7
311.12619	0.9
324.13330	0.9
324.21667	5.1
325.14355	1.2
327.12097	0.7
342.15085	3.6
342.22656	7.7
343.08115	1.2
343.11819	4.0
343.15457	1.9
343.22946	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01577	2.5
56.96560	9.4
58.69489	2.5
61.90552	2.4
71.56924	5.3
83.60792	3.2
95.46896	2.7
98.97585	35.1
116.98624	44.5
117.99049	2.6
119.01913	3.3
134.99658	43.5
153.00688	13.6
174.97716	5.5
176.97456	4.3
177.00960	21.0
178.01103	3.7
179.00731	4.6
192.98798	12.1
194.98508	6.1
210.02347	2.7
210.96594	4.8
216.98764	12.1
218.98558	9.2
219.02003	30.3
220.02042	6.2
221.01854	11.2
222.01991	3.3
234.96501	8.7
234.99861	35.2
235.99966	9.0
236.99504	27.3
237.99757	4.3
243.02150	3.3
246.47874	2.7
252.97604	18.8
253.01097	6.5
255.00725	3.6
258.01074	3.8
258.96939	5.4
258.99963	21.1
260.00345	3.4
260.04602	3.1
260.99976	5.8
261.03125	26.4
270.02948	2.9
275.97791	4.8
276.02441	4.1
276.97604	42.6
277.01019	35.3
277.97516	2.8
278.01038	5.8
279.00839	12.2
282.99954	33.8
284.00168	6.3
284.99869	4.9
294.98660	11.3
300.97617	37.4
301.01089	60.1
301.04251	2.6
302.01245	12.5
303.00781	15.3
304.00928	6.2
317.98935	5.3
318.98636	100.0
319.01474	3.7
319.98727	5.3
324.02563	4.0
325.00922	3.6
342.00201	7.5
342.98688	5.3
343.02176	37.0
360.99268	25.0
361.03259	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	343.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	81.4
65.95978	3.7
66.33263	3.6
71.33361	4.3
71.33705	4.3
71.95232	5.6
102.01688	3.9
123.01173	16.4
141.02179	4.6
157.01718	5.6
177.02193	4.9
195.03279	65.5
197.08539	6.1
213.04364	100.0
218.04944	6.3
231.05458	7.5
241.07477	14.5
244.07173	3.9
246.72824	4.0
259.08514	20.4
283.69852	4.0
292.97708	3.5
343.12201	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	341.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32093	3.0
51.98815	3.3
53.03947	7.4
53.62538	3.5
55.01873	6.8
55.05510	26.4
56.96558	5.0
57.02113	3.9
57.03438	5.5
57.07072	6.2
59.04984	6.5
59.10841	3.2
62.72733	3.5
65.03942	6.2
67.05508	38.9
69.03448	9.1
69.07070	76.5
70.06579	3.5
71.01347	4.3
71.04990	18.1
71.08651	4.2
71.58000	6.0
79.05495	28.8
80.48322	3.4
81.03426	11.6
81.07063	100.0
83.04980	12.7
83.08617	15.8
85.02914	5.4
85.06544	21.5
86.06087	3.3
91.05457	19.1
93.07041	58.9
95.04964	19.1
95.08606	71.2
97.06530	11.1
97.10159	5.3
98.97599	5.1
99.04436	5.5
99.08091	23.2
101.06033	4.3
103.05457	3.4
105.07035	31.6
106.25448	3.9
107.04986	5.4
107.08602	43.1
109.02853	5.7
109.06538	8.7
109.10157	61.3
111.04432	4.2
111.08067	10.4
111.11717	11.1
115.07558	4.5
116.10757	8.3
117.03409	13.0
117.07017	7.3
119.04920	5.0
119.08582	25.1
121.06508	5.9
121.10158	33.9
123.08079	4.6
123.11701	26.6
125.09684	9.5
127.11199	5.6
128.33018	3.6
129.07007	5.2
131.04948	7.7
131.08571	8.3
133.06520	4.6
133.10117	19.2
135.11702	28.4
137.05956	25.3
137.09612	9.0
137.13243	7.3
139.11208	14.5
145.02863	14.9
145.10139	10.6
146.03171	8.9
147.03354	6.0
147.08037	5.3
147.11700	15.6
149.05920	4.7
149.13246	20.4
151.07658	4.3
151.11186	5.1
153.12805	7.4
155.10675	4.1
157.10132	4.5
159.08136	4.3
159.11722	15.3
161.05983	4.3
161.09593	4.9
161.13257	4.3
163.03938	4.5
163.11211	6.3
165.12756	4.0
167.07051	5.8
167.14307	8.5
173.13307	4.7
175.07544	7.2
177.05522	26.4
177.06938	4.9
177.12767	7.4
178.05835	10.9
179.06050	16.7
187.07581	19.7
189.09119	6.0
195.13795	4.9
208.13295	4.9
217.08731	6.1
219.07994	4.9
221.09639	5.2
226.14429	13.4
231.08203	4.7
234.06932	7.4
235.07416	5.3
237.03098	4.4
244.15512	30.4
247.07475	3.7
247.17067	3.5
248.08226	5.1
249.09340	5.0
265.08704	6.7
277.08521	5.9
279.10242	5.8
281.11792	12.1
287.23495	5.7
291.10117	6.1
295.09622	4.1
305.24777	8.3
309.11169	9.4
310.11642	4.2
311.12875	5.8
313.14200	4.3
323.12967	5.7
323.25851	12.6
341.13788	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	341.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	31.7
57.03451	14.9
57.07075	43.6
58.57735	9.1
60.26669	9.7
67.05497	26.3
69.07069	23.3
71.04990	19.9
71.08628	33.2
71.57646	17.6
79.05503	22.2
81.07056	100.0
83.08630	29.4
85.10175	21.0
88.38496	7.1
91.05468	32.1
93.07031	65.6
95.05000	11.6
95.08603	77.6
97.10166	10.0
105.07025	54.5
107.08587	57.2
109.06509	13.6
109.10150	41.3
111.08102	11.5
113.09599	8.9
117.07001	10.8
119.08597	71.7
120.70217	7.8
121.10119	41.2
123.11715	19.8
131.08577	18.0
133.10130	33.7
135.11685	25.7
143.08565	10.5
145.10159	29.8
147.11687	25.5
149.13268	34.9
157.10141	13.5
159.11705	50.4
161.13220	20.6
163.14856	22.9
171.11685	18.7
173.13280	36.0
173.83601	7.7
175.14832	15.6
177.16394	10.5
185.13271	14.2
187.14867	17.4
189.16328	12.1
191.17877	16.1
199.14778	14.7
201.16489	15.3
213.16344	14.7
215.17934	15.0
227.17952	15.3
229.19467	10.4
283.24130	41.1
296.22760	9.0
323.27365	35.7
341.17358	64.6
341.20840	11.0
341.27274	28.7
341.30591	36.0
342.36960	9.9
355.83804	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	342.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
55.05508	9.0
57.03432	1.9
57.07081	15.1
61.02906	1.9
69.03413	4.8
71.03089	3.2
74.05840	1.7
81.03411	5.5
81.07046	2.1
83.08608	5.9
84.04492	9.2
85.02903	21.8
85.22536	2.0
89.06031	46.0
90.90800	1.7
91.05473	2.2
93.07043	3.0
97.02904	4.2
97.06526	2.3
101.09653	17.9
103.05466	2.0
105.06999	2.6
107.07066	43.4
109.02879	3.2
120.08105	2.3
127.03886	3.4
137.05975	6.0
145.05000	3.7
163.07498	1.9
163.13290	100.0
175.07491	2.0
183.08095	2.1
250.09653	2.0
269.08115	2.3
280.10565	2.1
284.10440	6.1
292.10593	3.1
311.12558	4.6
327.12021	2.5
342.15125	4.1
343.11618	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.7
55.01862	5.4
55.05505	26.8
57.07075	10.4
59.05007	7.3
60.17646	3.5
60.60493	3.2
67.05502	42.4
69.03426	10.3
69.07066	68.8
69.38218	32.8
71.04994	23.0
75.21078	3.0
79.05492	22.0
81.03411	6.3
81.07057	100.0
81.84577	3.1
83.04976	6.4
83.08620	15.3
84.04470	3.8
85.06580	16.0
91.05481	13.7
93.07044	65.5
95.04971	11.1
95.08602	77.9
97.06528	7.6
97.10146	6.6
99.08107	29.4
105.07021	21.0
107.08586	40.3
109.06508	8.4
109.10150	55.0
111.08083	7.3
111.11707	11.9
116.66432	3.0
119.08600	19.7
121.06490	5.3
121.10143	37.2
123.08072	4.2
123.11700	17.5
125.09691	4.5
127.11203	5.5
131.08574	4.3
133.10152	15.3
135.08070	4.2
135.11685	30.1
137.05978	14.9
137.09665	5.1
137.13258	3.6
139.11169	16.1
145.02850	8.9
145.10114	8.2
147.11681	12.5
149.13251	20.9
151.11195	9.8
153.12785	8.7
159.11665	7.9
161.05948	3.2
161.13321	4.8
163.07512	3.6
163.11176	7.9
167.07111	4.3
167.14314	7.3
173.13376	4.5
177.05496	7.7
177.12688	6.4
177.16302	4.9
178.05800	4.1
179.06009	10.3
179.27747	3.9
181.12286	4.7
187.07536	6.7
189.16386	3.8
207.17462	3.7
234.06644	4.0
237.09035	3.0
244.15363	4.6
249.09264	3.9
281.11758	5.7
288.57233	4.0
305.24667	9.8
309.11282	8.7
313.14374	4.0
319.94272	3.7
323.25684	8.4
341.13837	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	341.211
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	7.3
67.05498	17.1
69.07066	8.6
69.67397	43.3
79.05480	14.9
81.07047	19.3
82.65869	6.4
85.06531	19.0
91.05398	8.2
93.07027	19.1
95.04979	7.8
95.08605	35.5
105.07015	13.9
107.08565	14.9
109.10127	17.1
113.09622	7.0
117.07041	7.3
119.08606	13.3
121.10090	10.7
123.08083	12.6
131.08609	8.4
133.10129	16.3
135.08031	7.9
143.08493	8.0
145.10143	20.4
151.07559	100.0
157.10185	7.3
161.13283	6.1
173.13148	9.3
175.07542	11.7
175.44771	6.4
181.27641	6.0
189.09117	16.5
191.10660	17.2
201.09093	7.9
203.10626	10.0
215.10596	12.3
229.12308	18.8
241.12186	7.7
251.36838	6.2
267.13422	7.4
283.16928	19.1
308.60870	7.3
323.20065	13.2
341.21021	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.7
55.01871	11.5
55.05499	17.6
56.96589	4.7
57.03426	8.6
57.07075	28.5
57.07301	4.7
66.33275	4.3
67.05492	30.1
69.03411	15.3
69.07054	29.2
71.04990	11.7
71.56496	4.4
71.58049	5.9
71.58385	4.8
76.71114	4.1
77.00902	5.1
77.16174	4.6
79.05494	33.6
81.03410	15.1
81.07054	90.9
81.28153	5.2
83.04961	19.0
83.08630	9.3
85.02889	9.3
85.06536	31.1
91.05404	27.7
93.07035	39.9
95.04967	11.7
95.08600	58.5
97.06521	19.8
99.08073	9.3
103.05466	11.0
105.07024	40.9
107.04957	17.0
107.08582	25.5
109.02851	10.7
109.06506	7.2
109.10136	30.6
111.08084	35.9
115.05446	6.3
117.07001	7.3
119.04951	8.0
119.08579	27.9
121.06500	9.5
121.10152	29.2
122.03624	9.6
123.08032	5.9
123.11710	34.9
124.05151	5.1
125.09632	8.1
127.03802	6.3
128.06218	19.0
129.07002	40.2
131.04913	12.6
131.08574	16.5
133.02829	11.3
133.06464	13.4
133.10129	18.5
135.11636	13.8
137.05975	100.0
139.11172	9.9
141.06924	7.0
143.08614	5.3
145.06395	6.9
145.10167	12.2
146.03717	7.4
147.04395	6.5
147.08047	6.6
147.11693	13.8
147.19408	5.9
149.09563	4.6
149.13261	18.7
151.03908	5.6
151.07597	5.5
151.11179	8.1
155.10617	9.6
157.10109	12.1
159.08032	13.8
159.11662	9.2
161.05949	26.1
161.09615	4.5
161.13274	8.3
162.06717	6.0
163.03940	6.0
165.09142	5.9
165.12769	7.1
167.07133	27.6
167.08360	8.8
167.38838	5.0
169.12228	18.9
171.11664	5.7
173.05949	5.1
173.13341	11.4
174.06824	6.3
175.07538	21.9
177.16277	5.0
178.07698	11.5
183.11615	7.1
185.13219	7.9
187.07530	60.7
189.09138	12.5
189.16388	13.0
190.07732	6.0
191.07025	9.5
191.08563	11.9
195.07997	5.9
197.05875	5.4
199.07484	11.1
199.14769	8.7
201.16504	7.4
202.07780	11.5
203.08597	11.8
204.06418	5.1
205.06535	8.0
206.07239	11.8
215.17880	5.4
217.06491	7.1
217.08528	12.3
218.07318	7.6
219.08047	20.0
220.08804	9.1
221.05952	5.5
221.09555	19.0
223.07588	5.4
227.07004	6.1
229.99706	4.8
231.08067	13.5
233.09563	8.1
234.06784	13.5
235.07486	6.6
247.07521	8.1
248.08125	12.0
249.09215	27.1
250.06168	5.3
250.09955	5.9
251.07040	16.0
259.07593	6.2
260.08386	5.2
263.10648	12.5
265.08673	20.8
268.07083	4.9
269.08197	5.9
269.12396	5.0
271.09702	5.6
276.07736	8.0
277.08551	26.7
279.06622	10.3
281.08319	9.1
281.11673	31.1
284.62457	5.6
287.19675	4.6
287.23682	5.1
291.10046	25.5
294.08810	11.5
295.13434	4.7
296.10190	5.6
297.07690	5.2
300.09995	8.9
305.24652	15.0
309.11163	64.6
310.08130	5.8
310.11697	11.9
311.09097	10.5
311.12576	8.6
313.10690	23.1
323.12759	17.0
323.25766	17.1
326.11325	6.1
341.06528	9.9
341.10077	16.6
341.13785	63.4
341.21088	8.5
341.24796	13.1
341.28323	6.1
342.14252	6.5
359.03131	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	341.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87519	2.6
53.03933	11.9
55.01859	19.9
55.05508	79.6
56.96549	6.3
57.03422	4.8
57.07071	5.0
59.05009	3.0
63.62603	2.8
63.62928	2.5
65.03909	3.1
67.05499	40.0
68.99796	3.1
69.03432	18.6
69.06738	3.0
69.07076	43.8
71.04974	12.1
71.08569	2.5
71.57349	2.3
71.57801	3.0
79.05491	45.2
81.03412	12.7
81.07058	53.7
83.04962	8.9
83.08618	100.0
85.02896	8.2
85.06546	19.4
87.04467	41.3
91.05453	75.3
93.07045	58.3
94.04183	2.8
95.04976	19.6
95.08609	25.2
97.02883	6.9
97.06517	11.1
99.04430	5.3
99.08073	6.5
100.11225	4.7
103.05470	42.8
104.05798	2.9
105.03386	8.0
105.07025	54.9
107.04951	11.0
107.08596	22.6
109.02828	4.7
109.06512	9.5
109.10147	14.4
111.04465	3.1
111.08077	43.1
112.08376	2.8
113.06039	4.1
115.03927	13.6
115.05443	16.0
117.07018	49.3
118.11629	2.7
119.04920	10.9
119.08576	30.5
121.02888	3.4
121.06493	11.4
121.10158	16.4
123.08081	5.2
123.11681	3.1
125.09624	3.9
128.06219	11.2
129.07021	31.0
129.09119	25.8
131.04930	50.5
131.08566	44.6
133.02762	3.9
133.06487	13.8
133.10121	23.7
135.08025	10.2
135.11656	7.2
137.02330	13.5
137.05972	43.1
139.11214	3.5
141.07014	13.5
142.07675	4.2
143.04985	3.6
143.08537	12.9
145.05469	4.0
145.06482	19.0
145.10123	15.8
147.04387	11.1
147.08047	37.2
149.06012	5.1
149.09624	13.1
149.13161	3.2
151.07605	6.6
151.11160	4.9
152.08293	7.9
153.01814	25.8
154.07693	2.9
155.07152	3.7
155.08522	9.4
156.09335	3.0
157.06453	11.5
157.10118	9.8
159.08072	18.6
159.11694	6.1
161.05975	11.2
161.09573	10.3
161.13194	5.2
163.07544	36.4
164.07892	3.2
165.07030	4.2
165.09105	5.0
167.08534	6.4
169.10115	6.8
171.08078	5.2
171.11615	4.2
173.05966	6.3
173.09612	6.4
173.13268	8.1
175.07556	10.5
175.11227	3.4
177.05435	3.6
177.09116	20.3
179.03352	10.8
181.10114	3.9
187.07544	11.3
189.05400	4.5
189.09056	5.0
191.06964	4.6
199.07648	3.9
202.15276	2.9
203.03363	5.1
203.06950	3.9
207.02911	9.5
209.13277	5.4
211.14784	3.6
213.05531	3.9
217.08736	5.7
219.08052	4.2
220.08664	3.3
221.09520	3.9
228.04111	3.7
229.05042	5.3
235.07634	4.0
239.14320	3.3
245.15659	3.9
247.17046	3.0
249.09135	4.7
250.06265	3.6
253.08578	4.0
257.08289	3.2
257.15417	3.7
259.06137	7.2
259.16995	4.3
263.07324	2.8
263.10803	4.7
265.08368	6.3
267.06583	3.9
269.04330	3.5
269.15173	3.7
272.05389	3.5
274.04730	10.2
275.16348	15.1
281.08066	3.3
287.05475	7.9
287.16354	12.4
291.10226	6.4
296.05487	5.9
297.03802	14.4
302.04208	36.6
303.01712	3.8
305.17413	12.3
309.11090	16.5
313.14078	4.0
315.05038	9.7
323.12811	6.3
323.18448	5.0
324.04926	4.3
325.03235	4.6
327.12244	4.7
341.06763	5.8
341.13715	54.4
342.06079	70.1
342.14688	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	13.2
55.01867	24.0
55.05508	68.7
57.03410	4.7
59.04990	3.8
62.35522	3.4
65.03925	5.8
65.74700	3.5
66.69534	3.5
67.05239	3.2
67.05505	33.4
69.03407	8.9
69.07072	21.4
70.06564	3.4
70.08020	13.8
70.35518	3.1
71.04982	11.6
71.36532	3.4
72.81004	3.3
79.05492	49.1
79.59315	3.2
81.03408	11.5
81.07051	39.0
83.04984	8.3
83.08147	5.8
83.08614	74.1
84.04471	5.1
85.02908	6.7
85.06518	9.0
87.04462	34.4
91.05462	79.2
93.07040	45.0
95.04975	22.7
95.08594	13.9
97.06503	7.7
99.08148	4.6
103.05452	16.1
103.63303	4.1
105.03385	6.8
105.07027	59.6
107.04938	13.0
107.08599	17.3
109.06509	14.3
109.10168	4.0
111.04497	6.1
111.08073	20.6
115.03895	10.9
115.05440	19.5
117.07002	54.4
119.04932	6.2
119.08570	31.5
121.06509	12.2
121.10128	8.6
122.03656	10.3
123.08041	5.0
128.06221	22.4
129.07010	49.0
129.09120	11.7
131.04907	17.4
131.08545	41.3
133.02861	18.3
133.06458	6.2
133.10103	16.3
135.08093	8.1
137.05977	100.0
141.06949	14.1
143.04953	4.6
143.08575	18.6
144.05740	4.6
145.06480	29.6
145.10107	13.5
147.04329	4.1
147.08040	56.5
147.11684	4.0
149.05975	12.9
149.09615	10.5
151.07565	9.2
151.11198	5.1
152.08475	4.5
153.01796	4.5
153.05470	4.7
155.07097	5.2
155.08536	14.4
157.06549	30.6
157.10127	9.2
159.08090	21.4
159.11665	6.3
161.05971	12.3
161.09598	12.8
161.13208	6.5
162.06747	4.8
163.07562	10.5
165.05466	4.9
165.06953	6.2
165.09082	6.0
167.07010	5.5
167.08511	8.9
169.10088	8.7
171.08109	17.3
171.11743	6.0
172.05162	5.1
173.09586	9.6
173.13284	4.5
174.06738	7.6
175.07506	24.9
177.05418	8.7
177.09125	15.2
178.07788	7.3
178.09915	3.7
179.08517	7.0
181.10011	9.6
183.11639	3.6
184.41774	3.7
185.05946	4.1
185.09642	8.9
187.07544	33.6
187.11179	4.8
189.09103	22.6
191.07016	5.3
191.08582	16.4
192.09177	4.6
197.13326	5.2
199.07483	6.9
199.11186	5.3
201.09073	7.8
202.07677	8.9
203.08580	41.9
205.06448	6.2
205.08472	5.9
209.13037	5.5
211.07600	5.1
217.08580	38.7
218.07268	10.8
219.08008	41.3
220.08839	18.1
227.14192	4.8
231.08089	39.0
232.08760	10.9
233.05992	4.7
233.09587	5.5
234.06662	7.1
235.07518	6.1
236.08385	8.0
238.09702	4.5
241.15782	5.1
245.15347	15.3
245.82013	3.9
247.07550	33.5
247.16855	5.6
248.08295	43.5
249.08987	10.8
251.10645	9.0
257.15421	6.4
259.07516	11.3
259.17026	18.6
261.09113	17.8
262.09872	5.2
263.10681	42.1
264.07837	5.1
265.08472	11.2
269.08194	10.3
269.15018	5.6
271.09735	5.5
275.16315	12.7
276.07803	15.6
277.08575	15.3
279.10141	53.0
280.10834	5.6
281.11700	10.2
281.34390	4.0
284.10373	6.2
287.16357	12.9
291.10178	69.1
292.10623	10.5
292.83347	4.2
293.08002	5.9
296.10306	8.6
297.10934	3.8
302.04199	6.3
305.17444	24.3
308.10309	5.3
309.11215	25.8
310.11566	5.1
311.12784	19.9
323.12756	33.3
323.18570	7.7
327.12006	6.6
341.09946	8.2
341.13748	81.9
341.19510	4.4
342.06140	9.0
342.14288	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	341.1383
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.03938	2.6
55.01857	2.5
55.05505	6.9
57.07059	2.0
57.89041	1.4
59.56360	1.5
67.05479	8.5
69.03413	3.7
69.07059	13.8
69.76651	2.4
69.77057	9.7
71.04981	4.7
71.93105	1.5
72.12379	1.5
79.05499	8.7
81.03398	4.6
81.07058	17.7
83.04956	1.9
83.08630	3.9
84.04504	2.0
85.02888	2.2
85.06523	5.0
91.05427	10.3
93.07040	11.7
94.04155	2.3
95.04958	4.5
95.08590	13.0
97.06520	3.3
97.10146	1.6
99.04465	1.5
99.08062	2.8
103.05455	5.6
105.03355	1.7
105.07022	10.7
107.04937	5.9
107.08599	9.3
109.06518	4.2
109.10162	5.5
111.04442	4.2
111.08083	3.2
115.05463	4.7
115.28314	1.6
117.03404	2.0
117.07006	3.5
119.04932	2.3
119.08580	5.6
120.04390	2.3
121.06487	1.8
121.10133	6.8
122.03618	11.3
123.11700	3.5
125.05999	2.0
125.09600	2.2
128.06212	4.2
129.07013	11.6
131.04916	5.9
131.08543	3.4
132.05685	1.7
133.02834	6.7
133.10138	7.3
135.08083	2.3
135.11676	4.9
137.05975	100.0
138.09091	2.1
141.06987	2.7
143.04929	2.3
143.08527	2.3
144.05692	5.3
145.02859	2.4
145.06485	5.0
145.10098	3.3
146.03644	1.7
147.04399	3.2
147.08038	1.8
147.11696	3.0
149.05940	4.2
149.13281	1.9
151.03865	3.1
151.07510	6.8
151.11275	2.5
153.05453	3.1
155.10753	1.9
157.06512	4.6
157.10049	2.0
159.08009	4.3
159.11693	2.6
160.05183	5.8
161.05962	10.2
161.09540	3.2
163.07559	4.3
165.05499	5.9
165.06918	2.6
166.08696	3.4
167.07034	9.9
169.03015	1.5
171.08052	2.6
172.05176	3.6
174.06795	9.0
175.07529	24.3
177.05521	7.6
177.06850	1.6
177.09094	3.3
178.05803	3.6
178.07762	2.6
179.07166	2.2
181.06421	2.1
187.07536	36.7
188.03358	2.8
189.07042	1.9
189.09122	12.1
190.07787	1.7
191.08551	4.2
193.10150	2.0
195.08031	2.1
196.05228	6.2
197.06015	5.0
199.07472	5.3
202.07834	7.3
203.08517	16.6
205.06691	3.1
205.08517	2.6
206.04561	4.0
206.07242	3.3
207.08014	2.7
208.08754	2.4
210.06726	1.8
211.07547	21.4
213.05373	2.9
217.08562	11.9
218.07230	3.0
219.07980	10.4
220.08928	8.9
221.05928	2.0
221.09607	4.9
222.06682	2.1
223.07570	2.3
225.05547	2.8
225.09106	2.5
227.07016	10.2
228.07745	1.8
229.06668	1.7
231.08057	17.0
232.08734	4.5
233.06023	3.2
234.06732	4.0
235.07449	4.0
235.11320	2.1
236.08415	2.4
237.09052	4.7
238.23936	1.8
239.07051	16.0
240.07872	11.4
241.04993	1.8
247.07587	9.0
248.08281	23.1
249.09158	9.8
250.06148	3.7
251.07146	2.3
251.10654	5.8
253.08559	3.7
254.09409	2.0
255.06546	7.0
256.07263	6.3
259.07535	7.8
260.08325	3.8
262.06247	1.8
263.06995	2.7
263.10699	19.7
264.07483	1.7
265.08612	9.2
266.09344	3.6
267.10217	2.0
268.07330	4.6
269.07877	2.3
270.08810	13.3
271.09631	41.8
276.07837	11.4
277.08539	9.0
278.09277	1.6
279.07211	2.0
279.10110	12.7
280.10815	2.5
281.08142	4.5
281.11713	9.7
283.09674	10.5
285.11185	2.8
291.10147	51.1
292.10837	5.8
293.07996	7.4
295.09647	3.3
296.10367	4.4
297.11206	5.2
298.11859	1.9
305.24716	3.5
308.10397	6.3
309.07928	2.6
309.11099	14.9
311.09326	2.4
311.12775	10.7
311.95117	1.6
313.14343	4.4
320.81067	2.0
323.09357	2.4
323.12787	31.0
326.11636	2.0
341.06723	2.5
341.09909	3.0
341.13779	37.8
341.21017	5.2
341.24640	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
52.06110	2.6
55.01865	6.9
55.05507	5.0
57.03439	3.4
59.05004	6.7
66.04677	2.5
67.05501	7.6
69.03439	7.3
71.90262	2.6
79.05479	12.4
81.03395	4.8
81.07037	5.9
85.02895	3.7
87.04472	14.6
91.05418	15.9
93.07043	8.9
95.04956	7.1
95.08559	3.0
97.02877	4.1
103.05463	37.8
105.03387	2.8
105.07011	18.1
107.04942	7.8
107.08565	4.3
107.45876	2.3
109.02895	3.0
109.06520	3.9
111.08085	3.7
115.05450	4.8
117.07029	7.4
119.04962	5.7
121.06512	5.9
122.03626	7.2
128.06288	4.2
129.07005	12.9
131.04922	44.5
131.08543	5.4
132.05701	4.3
133.02844	25.0
133.06482	11.4
135.08078	2.9
137.05977	100.0
145.06483	6.5
147.04411	10.6
147.08043	7.9
149.05972	8.2
149.09541	2.4
151.07558	8.2
155.04961	3.1
155.08607	2.7
157.06560	3.7
159.08043	7.7
160.05247	3.6
161.05981	20.8
162.06754	6.1
163.07520	42.2
165.05542	5.9
167.07008	6.0
169.10162	2.9
171.07999	4.7
172.05215	4.7
174.06825	6.6
175.07526	29.3
177.05444	10.5
177.09135	4.5
178.05945	4.7
179.07112	4.4
179.10706	3.6
187.07552	27.3
188.08167	2.6
189.09131	10.1
190.07672	5.7
191.08571	6.5
195.08029	2.5
199.07545	6.4
202.07808	6.2
203.08559	13.6
205.06476	3.9
206.07195	3.8
207.07727	11.1
208.08948	2.8
211.07658	3.1
217.08562	14.6
218.07300	4.1
219.08101	14.6
220.08771	4.5
221.05946	2.9
231.08023	16.3
232.08768	3.3
235.07458	3.5
236.08249	4.2
237.09154	4.8
242.64172	2.3
247.07567	8.5
248.08342	10.6
249.09062	5.4
251.10674	7.2
259.07510	7.1
263.10513	12.5
264.07776	4.7
265.08646	6.9
271.09552	6.9
276.07785	5.1
277.08594	6.3
279.10110	16.2
281.08057	4.9
281.11761	4.0
291.10129	22.8
295.09720	4.5
296.10535	4.4
308.10501	4.8
309.11075	12.6
311.12759	20.5
323.09314	3.5
323.12747	39.3
341.09863	5.1
341.14185	26.0
359.02618	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
51.48070	2.3
53.03944	4.1
55.01870	5.6
55.05512	22.9
57.07075	5.1
67.05491	10.8
69.03431	6.1
69.07055	12.0
71.04990	7.6
71.09730	4.6
79.05487	20.8
81.03414	9.3
81.07066	27.7
83.04962	8.1
83.08619	12.0
84.04504	3.8
85.02895	3.8
85.06533	9.2
91.05437	21.7
93.07058	16.0
94.04214	4.4
95.04982	7.2
95.08601	16.8
97.06505	7.9
97.10181	4.2
99.04446	3.9
99.08092	3.6
100.11256	31.6
101.11594	6.4
103.05461	9.0
105.07038	19.2
107.04946	12.9
107.08595	10.3
109.02888	9.4
109.06525	6.2
109.10146	12.7
111.04448	8.5
111.08075	21.0
115.05469	5.9
117.07033	5.8
119.04910	3.4
119.08572	10.2
121.06504	7.2
121.10130	10.0
121.86983	2.7
122.03677	8.9
123.04469	2.7
123.08054	3.3
123.11739	6.2
125.06026	3.7
125.09661	5.3
128.06194	6.8
129.06982	17.2
131.04918	9.7
131.08533	4.3
133.02805	4.9
133.06464	7.1
133.10101	7.2
135.11665	4.1
137.05977	100.0
137.09654	4.3
143.08545	5.7
144.05705	6.2
145.02809	6.2
145.06496	7.4
145.10126	5.6
146.03555	3.8
146.07239	3.7
147.04414	5.8
147.08095	6.8
149.05968	8.8
149.13275	6.1
151.03925	4.7
151.07535	9.8
151.11217	3.5
153.01811	10.9
157.06523	7.1
157.10100	4.0
159.08022	8.2
159.11736	3.5
160.05173	5.7
161.06000	18.5
161.09599	3.0
163.03879	2.9
163.07578	10.5
165.05479	4.8
167.07076	16.5
167.08380	2.9
171.08061	3.3
172.05197	6.8
174.06757	6.6
175.07545	23.4
177.05469	10.5
177.06920	3.6
177.09087	3.5
178.07767	7.9
179.07170	5.5
179.08542	4.1
179.10910	3.3
182.15408	8.4
183.15840	3.5
185.09631	3.6
187.07552	47.7
189.09093	7.2
190.07776	4.2
191.07039	3.8
191.08568	6.7
194.07281	4.7
195.08058	7.3
196.05257	4.5
199.07614	5.4
202.07808	6.5
203.08618	13.8
205.06488	8.0
206.07259	7.0
207.08093	3.3
210.14862	7.2
211.07497	11.7
211.15025	3.5
217.08516	18.1
219.08113	13.8
220.08783	7.9
221.06212	2.9
221.09602	11.9
222.06674	3.9
223.07645	4.5
224.08391	3.3
225.09131	5.0
227.06978	3.2
227.67677	3.7
231.08031	12.4
234.06725	9.6
235.07556	7.2
237.09056	7.8
238.05983	3.3
238.09985	3.9
239.06999	9.6
239.10394	2.6
240.07767	7.8
247.07549	11.0
248.08226	14.3
249.09071	15.3
250.06129	4.7
251.07043	9.4
251.10712	6.3
252.07848	4.4
256.07275	3.7
261.09076	3.8
263.10638	11.9
265.08600	21.6
266.09198	8.1
267.10110	4.9
271.09634	17.9
276.07797	7.4
277.08649	13.5
279.10168	16.3
280.10596	3.2
281.08228	6.0
281.11716	19.9
283.09622	4.2
291.10135	33.4
292.10773	4.4
293.08130	4.5
294.08780	5.9
295.09592	7.2
296.10446	5.1
297.11288	6.2
305.25021	4.2
308.10333	6.5
309.11224	48.4
311.09116	3.1
311.12689	10.9
313.10867	4.4
313.14383	8.2
323.12714	18.5
326.11404	5.8
341.06610	4.7
341.10172	9.1
341.13834	65.4
343.30548	5.0
344.31036	3.1
359.02808	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15529	1.0
70.06573	1.6
70.69973	4.0
75.47668	1.0
84.04471	0.9
91.05810	2.3
95.85460	1.1
96.30427	1.2
99.45384	1.0
110.38079	1.0
112.61111	0.9
126.34824	1.3
127.03930	1.2
136.82501	1.0
137.05965	4.8
179.06841	2.8
186.15988	1.8
187.07579	1.5
210.06847	1.0
217.08527	1.6
218.21524	0.9
242.64171	1.0
263.10544	1.3
291.10095	1.7
325.37802	1.1
341.12067	100.0
342.12326	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1381
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01848	1.7
56.52594	1.8
61.22984	1.7
69.03448	2.1
69.75547	10.5
77.99626	1.7
79.05489	4.0
79.60873	1.6
81.03415	2.2
81.07022	2.7
91.05450	2.7
94.04206	3.9
95.04949	2.8
98.20805	2.5
103.05482	4.2
105.07027	2.2
107.04919	3.0
109.06544	2.7
115.05464	3.3
117.07003	2.4
119.04936	2.4
121.06480	2.4
122.03621	10.3
128.06219	5.2
129.07014	14.4
131.04907	5.4
133.02805	2.9
137.05974	100.0
144.05684	8.9
145.06410	2.6
146.07263	2.8
147.04390	2.9
149.05977	3.4
151.07524	4.0
157.06479	9.0
159.08051	2.7
160.05180	3.2
161.05966	6.1
161.09607	2.2
163.07523	4.7
165.05490	3.5
167.07047	2.7
172.05179	8.1
174.06735	16.8
175.07582	10.7
177.05498	4.4
179.07079	2.4
187.07535	47.5
189.09102	21.6
191.08482	4.2
192.09206	2.2
196.05054	1.9
199.07503	7.0
202.07753	5.3
203.08557	10.9
205.06444	3.3
207.07872	5.5
208.08875	4.3
211.07541	7.3
217.08565	31.4
218.07323	2.6
219.08020	14.2
220.08838	6.1
221.09717	2.3
227.07072	2.8
231.07945	13.6
232.08772	3.1
233.06067	3.1
233.09531	3.6
234.06718	2.4
235.07483	4.8
236.08388	4.9
237.09096	4.3
239.07007	5.7
240.07814	4.8
247.07521	12.4
248.08360	18.5
249.09109	5.2
251.10588	9.7
253.08615	4.8
255.06613	1.9
256.07336	2.4
259.07559	5.5
260.08319	3.7
261.09122	6.5
263.10611	18.0
264.07794	4.4
265.08560	9.9
271.09573	15.1
276.07932	8.9
277.08524	5.4
279.10162	18.1
279.27792	2.0
280.10944	2.3
281.07935	4.2
281.11334	2.2
290.70242	1.8
291.10138	29.9
292.10809	4.8
293.07947	4.4
296.10291	14.2
297.11148	2.2
308.10587	4.5
309.11026	2.7
311.12711	13.4
323.12784	30.3
341.13593	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	340.2843
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
53.03932	1.8
55.05511	18.9
57.03434	3.4
57.07062	5.1
60.04522	38.2
66.92392	1.6
67.05508	14.3
69.07066	25.5
69.36243	18.7
70.07372	2.0
71.08617	3.1
76.79851	1.6
79.05479	4.3
79.87794	2.1
81.07052	20.7
83.08623	19.5
84.08956	2.2
88.76705	1.8
89.93542	1.6
91.05463	8.2
93.07034	7.4
95.08601	20.8
97.10180	13.1
100.11186	2.3
105.07001	5.2
107.08578	5.4
109.06507	2.2
109.09491	2.1
109.10133	13.0
111.11677	4.1
119.08566	6.9
121.10102	5.0
123.11684	4.4
133.10080	5.3
135.11658	2.1
137.09535	3.0
142.15909	13.0
145.10034	1.8
147.11667	4.4
149.13173	1.9
154.12244	5.3
161.13237	2.7
172.13344	2.7
245.22528	2.8
263.23679	8.1
280.26352	12.4
298.27448	16.8
322.27368	4.9
340.28491	100.0
341.29028	1.9
358.34067	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2891
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
51.10764	1.6
53.03949	1.7
55.05510	55.7
57.03436	25.5
57.07069	25.6
60.04513	2.6
67.05501	35.1
68.27352	2.1
69.07065	74.2
71.04975	2.4
71.08635	11.7
71.57643	1.8
71.58086	2.2
77.11089	1.8
79.05498	14.0
81.06588	2.4
81.07053	40.0
83.04997	2.2
83.08612	47.5
85.06550	4.2
85.10181	7.1
91.05492	5.0
93.07042	18.7
95.08602	49.2
97.06522	7.5
97.10157	26.2
100.02818	2.0
105.07024	2.3
107.08588	11.4
109.10158	20.9
111.08079	6.9
111.11732	11.1
119.08565	3.2
121.10155	13.8
123.11716	4.8
125.09644	3.4
135.11693	15.2
137.13237	3.0
139.11192	3.1
149.13252	6.0
151.14798	3.3
163.14844	3.7
247.24261	3.2
254.23761	2.0
265.25363	5.4
298.27396	1.9
339.12439	2.0
339.28961	100.0
340.28790	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	339.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01862	3.0
55.05510	22.5
57.03410	5.4
57.07076	13.9
67.05505	37.3
69.03420	6.8
69.07069	47.4
71.04972	3.1
71.08598	3.7
79.05495	15.7
81.03411	8.5
81.06586	5.5
81.07056	100.0
83.04980	3.4
83.08620	26.1
83.50490	3.2
85.06539	18.5
91.05465	12.1
93.07034	20.5
95.04971	5.1
95.08607	77.0
97.06513	9.3
97.10177	20.5
98.20762	5.7
99.08077	5.6
105.07028	14.5
107.04931	3.4
107.08583	17.2
109.06509	7.9
109.10149	46.3
111.08063	6.8
111.11705	11.9
117.03355	5.2
119.08570	11.8
121.06497	2.8
121.10148	16.1
123.08085	7.0
123.11687	32.2
125.13232	4.5
127.07542	3.5
129.71185	2.9
131.08554	5.4
133.10118	10.4
135.11725	14.8
137.09610	3.7
137.13261	14.3
145.02835	12.5
145.10117	3.9
147.11674	11.2
149.13286	7.9
151.11139	5.9
151.14832	6.1
157.91077	2.9
159.11682	5.6
161.13312	5.9
163.14856	3.6
165.12773	4.8
175.14816	3.4
177.05482	27.6
177.12650	3.4
179.14322	3.6
219.08008	7.9
229.42705	3.0
235.07401	3.2
247.07465	6.8
249.05446	5.0
263.06955	4.2
264.07925	7.5
279.10071	6.9
285.25769	4.5
303.26831	5.7
307.09589	10.1
311.12723	11.2
317.18365	3.0
321.27921	16.5
339.12216	19.5
339.28748	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	339.2529
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
55.01849	2.9
55.05503	12.0
57.03423	2.9
57.07063	8.0
63.86917	2.9
67.05505	72.1
69.03400	2.8
69.07065	14.3
71.57810	4.7
79.05488	37.1
81.03407	4.0
81.07060	100.0
83.08599	8.7
83.77113	3.4
91.05480	20.8
93.07040	49.8
95.04964	7.1
95.08604	82.7
97.06557	3.2
97.10180	5.9
99.08098	4.5
105.07043	28.1
107.08598	33.9
109.06498	3.7
109.10165	46.6
117.07011	9.8
118.83649	2.8
119.08581	24.0
121.10136	39.0
123.08025	3.8
123.11713	19.5
131.08556	14.7
133.10120	17.1
135.11671	25.9
137.09645	4.8
137.13235	3.7
143.27573	3.6
145.10114	20.8
147.11699	11.9
149.09528	3.5
149.13222	16.1
151.11183	4.2
159.08160	3.2
159.11722	21.3
161.13266	3.5
171.11676	6.3
173.13257	9.7
177.05504	3.7
187.14784	3.8
209.75252	3.7
219.21068	4.1
229.19469	20.8
247.20569	60.3
265.08173	4.1
265.21774	4.3
283.16846	8.7
339.22739	5.0
339.26749	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	339.2528
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
55.05505	15.5
57.03438	7.0
57.07077	6.6
63.93370	2.6
65.03934	4.0
67.05503	100.0
69.07076	16.3
79.05488	50.0
81.06584	4.7
81.07056	92.0
83.04956	3.6
83.08597	9.4
85.06551	4.0
85.30297	2.5
91.05485	24.4
93.07040	53.8
95.04962	7.0
95.08604	87.9
96.04488	10.9
97.04785	4.6
97.06506	3.4
97.10143	4.4
98.20803	6.6
99.08047	2.8
105.07029	25.1
107.08583	42.4
109.10152	51.7
111.08076	3.7
111.11684	2.7
111.56278	2.6
114.40305	2.7
117.07005	7.1
119.08572	19.9
121.10139	44.9
123.08066	2.4
123.11694	17.3
131.08585	19.4
133.10109	18.3
135.11676	27.8
137.13232	3.7
139.11153	3.0
145.10086	19.3
147.11649	18.3
149.13248	18.0
157.10225	2.3
159.11678	16.0
161.13214	6.1
163.14792	4.5
165.12839	3.0
165.39816	2.5
173.13278	13.0
187.14870	4.0
219.21085	4.9
229.19557	21.2
229.34143	3.6
247.20570	77.5
248.20995	3.4
251.01385	3.1
265.21466	5.9
283.16928	23.8
321.24243	8.6
339.25638	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	339.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27251	2.8
51.94360	2.6
52.79547	2.5
53.03935	6.1
55.01858	10.5
55.05509	16.5
56.96556	5.6
57.03426	9.8
57.07071	4.4
59.76245	2.4
61.02901	4.1
65.03943	4.0
67.05506	43.0
69.03423	6.6
69.06791	2.6
69.07067	28.0
71.04971	5.7
71.57876	2.8
73.02876	3.5
75.04485	4.3
78.61662	2.5
79.05489	42.3
81.03408	9.0
81.07053	47.3
83.04969	10.2
83.08606	7.2
85.02877	10.2
85.06532	5.7
91.03929	4.9
91.05474	40.0
93.07034	46.4
95.04948	16.1
95.08603	32.5
97.02875	5.4
97.06530	10.6
97.10204	4.7
105.07025	45.1
107.04937	12.4
107.08589	26.2
109.02935	3.9
109.06509	13.5
109.10159	13.6
111.08075	6.0
116.06207	3.2
117.03375	7.6
117.07023	21.8
117.88838	2.9
119.08560	27.8
121.06506	12.9
121.10130	25.7
123.08058	8.7
123.10777	2.4
123.11706	7.4
125.09644	3.4
127.07552	3.1
129.06967	6.8
131.08574	46.9
133.06433	2.8
133.10150	22.6
135.08035	10.0
135.11681	20.0
137.05992	4.8
137.09583	3.7
137.84758	2.5
141.06964	4.5
142.07719	2.6
142.19408	2.5
143.08553	11.4
145.02841	15.3
145.06430	3.3
145.10112	40.3
147.08043	8.0
147.11662	12.3
149.05980	3.1
149.09625	35.7
149.13290	4.6
151.11179	9.2
155.08536	6.4
157.10121	6.2
159.08052	3.1
159.11714	18.4
161.09625	4.4
161.13251	6.4
163.11166	37.0
165.06908	3.5
169.10057	5.7
171.11671	5.9
172.00764	2.6
173.09613	9.1
173.13336	4.3
175.11172	4.5
175.14789	2.6
177.05437	22.4
177.12642	4.9
177.16365	3.9
179.10706	15.7
183.11647	3.5
185.13292	6.9
187.11217	10.1
187.14833	10.8
189.12820	3.7
191.10645	10.3
199.28438	3.0
201.12845	3.1
201.16339	17.2
203.14366	3.3
205.12238	3.7
209.11664	2.9
211.14804	12.8
219.08063	4.3
219.17439	26.4
221.06088	3.7
229.15849	31.9
235.07489	4.9
247.16949	58.2
259.12869	3.0
265.18005	29.8
303.19400	2.9
307.09494	7.4
311.12848	5.2
321.20581	40.5
322.20764	2.9
331.14572	3.2
339.12518	13.6
339.21652	100.0
340.22052	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	339.1073
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03939	2.0
54.66529	0.5
55.01860	0.7
55.05503	0.6
57.03425	1.4
67.05513	0.8
69.03429	8.8
69.07055	2.3
69.58074	2.2
69.58485	1.8
71.04970	1.2
72.46069	0.5
73.02908	0.6
73.75277	0.5
79.05437	0.6
80.91512	0.5
81.03412	15.6
81.07047	1.7
85.02903	4.7
85.06549	0.8
85.34324	0.5
88.92079	0.5
89.03914	9.6
91.05468	1.5
93.07035	1.3
95.04944	0.6
95.08600	1.1
97.02892	1.0
98.21573	1.0
99.04469	2.5
105.06976	0.5
107.08567	0.9
109.02869	5.6
109.10120	1.2
117.03376	28.8
121.10133	0.8
127.03911	2.4
133.10223	0.5
134.03621	2.8
135.04372	1.7
137.05977	0.7
139.11116	0.5
145.02838	63.2
146.68774	0.5
147.04396	0.5
147.11636	0.7
149.04904	1.0
149.05980	8.8
153.78873	0.5
155.08621	0.5
163.03908	1.3
177.05464	100.0
178.05855	1.4
186.05542	1.6
195.06541	3.2
219.08064	0.8
233.55667	0.5
235.02286	0.5
236.08328	0.8
247.07553	0.8
307.09641	0.9
311.12680	0.6
321.09641	15.5
325.69199	0.6
339.11923	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1074
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
50.36699	0.4
53.03938	1.6
55.01869	1.1
55.05494	0.7
56.78190	0.4
57.03431	0.8
58.74320	0.4
63.02382	0.5
67.05499	1.6
69.03430	6.1
69.07053	1.2
69.85502	2.5
71.04998	0.9
73.02912	0.7
78.04709	0.5
79.05495	1.0
81.03417	17.2
81.07053	2.1
83.27625	0.4
85.02903	5.6
85.06556	0.9
89.03909	9.3
91.04974	0.4
91.05483	1.7
93.07029	1.4
95.04961	1.5
95.08611	1.7
97.02885	1.0
98.21438	0.5
99.04467	2.2
103.05448	0.7
105.07032	1.5
106.04150	0.8
107.08592	1.1
109.02892	6.2
109.10159	1.6
111.08066	0.7
117.03374	25.7
119.08588	0.8
121.10149	1.2
123.11627	0.6
127.03899	2.0
133.10127	0.6
134.03603	1.7
135.04443	2.6
135.11708	0.4
137.05974	1.4
137.09682	0.4
145.02843	59.4
145.27760	0.4
146.03223	0.6
147.04472	0.6
147.24138	0.4
149.05978	9.2
162.03165	0.5
163.03911	1.0
163.11078	0.5
165.07141	0.4
177.05464	100.0
178.05801	0.7
186.05444	2.0
195.06548	2.4
219.08040	0.9
235.07584	0.6
247.07330	0.6
264.07712	0.5
307.09558	1.4
307.96008	0.5
311.12759	0.6
321.09674	14.0
339.08273	0.8
339.11893	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.3
50.53587	0.3
53.03939	0.3
55.01868	0.6
55.05507	0.4
57.03437	0.8
61.02927	0.3
63.02386	0.5
67.05495	0.4
69.03439	0.9
69.07069	0.5
70.70768	0.6
71.05032	0.3
78.04706	0.3
79.05479	0.4
81.03413	1.9
81.07052	0.8
82.86578	0.4
85.02896	1.4
85.06554	0.3
89.03912	8.6
91.05485	1.2
93.07039	0.5
95.04957	0.4
95.08595	0.6
97.02879	0.6
99.04463	1.0
103.05480	0.5
105.07034	0.6
106.04183	0.6
107.08593	0.3
109.02889	0.7
111.08093	0.3
117.03374	28.3
124.05199	0.4
127.03873	0.3
131.04909	0.3
133.10121	0.3
134.03658	2.0
135.04419	2.4
136.02887	0.3
145.02840	57.4
146.03180	0.6
149.05977	8.6
151.11151	0.3
158.06061	0.3
162.03107	0.5
163.03920	0.7
177.05463	100.0
178.05807	1.3
186.05464	0.9
195.06616	0.5
233.08136	0.4
247.07710	0.4
279.08676	1.1
307.09720	0.6
311.12570	0.3
321.09555	0.8
339.10867	2.6
339.15405	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87443	0.3
53.03934	0.6
55.01873	0.5
57.03450	0.7
63.02371	0.7
67.05497	0.5
67.55539	0.4
69.03417	1.2
70.89750	0.9
70.90095	0.5
71.04953	0.5
73.02917	0.5
78.04742	0.6
81.03412	1.5
81.07038	0.6
85.02915	0.8
89.03916	9.1
91.05458	1.0
93.07053	0.5
95.04980	0.6
95.08631	0.5
97.02899	0.5
99.04457	0.7
103.05431	0.5
103.52081	0.4
105.07032	0.5
106.04167	0.5
109.02876	0.7
109.83207	0.4
117.03381	26.5
124.05247	0.5
134.03648	2.2
135.04414	1.8
138.14319	0.4
145.02846	57.9
149.05981	7.6
163.03877	0.9
177.05469	100.0
178.05807	1.1
186.05493	1.7
195.06552	0.5
219.08141	0.5
225.23036	0.4
279.08569	0.9
308.74332	0.4
311.12616	0.4
321.09457	0.6
339.10583	2.4
343.11920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1073
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
51.26596	0.5
53.03925	1.7
55.01839	0.7
57.03424	1.2
62.94577	0.5
63.02351	0.6
67.05495	1.4
69.03431	7.5
69.07056	1.1
69.55287	3.1
69.55721	1.7
71.04973	1.2
73.02903	0.6
78.04700	0.5
79.05490	0.8
81.02988	0.8
81.03416	13.3
81.07057	3.2
83.08626	0.6
85.02897	4.1
85.06573	0.6
89.03915	9.9
91.05461	1.3
93.07031	1.3
95.04982	0.5
95.08594	2.2
97.02879	1.7
97.06547	0.8
99.04433	1.7
103.05445	1.0
105.07043	1.4
106.04124	0.9
107.08580	1.3
109.02892	4.4
109.10121	1.9
117.03375	25.7
119.08590	1.0
121.06472	0.9
121.10126	0.8
123.11691	1.5
127.03905	1.7
133.10101	0.9
134.03613	2.3
135.04388	2.5
137.05984	0.9
145.02841	56.4
149.05968	9.2
163.03882	1.8
165.09093	0.7
177.05466	100.0
178.05818	1.1
186.05440	1.1
187.07491	0.7
189.06969	0.8
195.06517	2.2
207.08144	0.6
218.07292	0.9
219.07999	1.6
221.09686	0.6
235.07535	0.8
236.08324	0.9
246.06805	0.8
247.07597	1.7
251.10489	0.8
261.09344	0.6
263.06940	1.0
264.07733	1.5
265.08444	1.3
276.07678	0.7
277.08411	0.6
278.09366	0.8
279.10403	1.1
281.07938	0.8
307.09634	3.0
309.11130	0.7
311.12814	1.5
321.09631	12.5
339.12195	5.9
339.23102	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.6
55.05481	1.5
56.05016	3.5
56.96556	8.4
57.03426	2.6
61.02913	3.6
66.30510	1.3
69.03430	11.6
69.07050	1.7
70.06585	4.0
71.04991	2.4
71.57159	1.7
73.02911	2.8
74.06084	9.3
75.71547	1.1
81.03411	7.2
83.05000	1.5
85.02905	25.9
85.06564	1.1
87.04472	1.3
88.07633	3.9
91.05445	1.5
95.04996	1.9
97.02888	13.0
98.97575	4.9
99.04458	2.0
107.04928	1.3
109.02873	4.8
111.04440	1.4
112.11206	1.8
116.98609	4.9
121.05378	1.1
123.04455	1.3
127.03912	7.6
128.98625	2.0
130.12271	100.0
131.12675	1.6
134.05972	2.2
134.99623	2.6
135.04416	1.9
137.06015	1.8
137.30853	1.1
139.03893	1.2
145.04935	3.4
146.99619	4.0
147.04323	1.4
152.07047	2.4
153.01831	7.9
163.03932	3.8
164.04210	1.2
173.01183	1.5
176.05284	2.2
176.12817	76.4
177.00700	2.6
177.04221	1.2
177.05736	1.3
187.81967	1.2
188.08949	1.3
189.00815	2.1
191.03418	2.0
193.00136	1.3
194.06735	3.5
203.03409	2.2
219.02943	3.8
220.04028	1.3
226.98396	1.4
237.02849	4.1
247.02394	5.0
263.00674	1.9
293.02969	1.9
338.18036	4.7
339.10056	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1073
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03954	5.9
65.03909	5.7
69.03419	7.7
70.63568	9.8
70.63921	14.9
71.22568	4.8
72.58376	5.1
79.05456	4.8
85.02946	5.1
91.05476	14.0
93.48212	5.1
97.02890	5.4
101.11619	5.3
117.03397	8.4
119.04955	30.0
122.06040	5.9
123.04489	6.8
136.07571	10.2
145.02878	17.1
147.04404	100.0
147.60304	5.6
152.07109	15.5
163.03922	7.8
164.07072	10.8
165.05496	6.1
177.05420	34.2
179.80115	5.3
187.72490	6.0
193.88695	5.2
247.02420	7.3
251.09306	8.5
275.01950	7.3
321.09558	8.5
339.10483	71.2
359.73416	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	339.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.01859	0.8
55.05497	0.6
57.03424	0.8
61.02906	0.7
67.05481	1.3
69.03146	0.5
69.03432	6.7
69.07059	2.1
71.04983	1.0
71.58343	0.8
79.05495	0.6
81.03419	10.5
81.07076	2.6
85.02904	4.3
85.16708	0.5
89.03918	9.3
91.05476	1.9
93.07043	1.8
95.04974	0.8
95.08598	1.3
97.02880	2.1
97.10145	0.6
99.04456	1.5
103.05432	0.9
105.07021	1.3
106.04172	1.1
107.04987	1.0
107.08569	1.7
109.02866	4.2
109.10154	1.0
111.04433	0.6
117.03379	26.6
119.08612	0.7
121.06480	0.8
121.10177	1.0
122.25861	0.5
123.11706	0.6
127.03894	2.5
129.06963	0.7
129.10143	0.5
131.08549	1.1
133.10146	0.7
134.03621	1.6
135.04425	1.2
137.05946	2.0
141.11218	0.5
143.08551	0.7
145.02843	56.3
146.03116	1.4
147.11681	0.8
149.05980	10.2
161.05942	0.5
163.03912	1.3
165.06966	0.6
177.05466	100.0
178.05782	0.9
186.05511	2.4
186.81303	0.6
190.07759	1.2
191.08516	0.9
195.06540	1.8
198.10506	0.5
206.07268	0.7
212.47816	0.5
218.07259	0.9
219.08066	2.0
221.05920	0.6
235.07568	1.5
236.08281	0.9
247.07530	2.0
248.08295	0.7
249.05421	0.9
251.10869	0.7
262.68991	0.6
264.07791	2.0
265.08572	0.7
275.06921	0.6
279.10178	2.0
281.07990	0.7
289.08661	0.7
307.09613	3.1
309.07532	0.6
311.12930	1.9
321.09616	9.0
339.12347	7.0
339.19348	0.6
339.23135	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	337.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.3
55.05511	43.2
55.06923	3.2
57.03435	26.6
57.07068	10.2
67.05175	6.8
67.05506	88.3
69.07066	56.7
71.08606	5.8
71.42136	8.0
79.05495	28.4
81.07056	100.0
83.04945	5.0
83.08616	30.7
85.06514	3.6
91.05478	25.0
93.07034	29.7
95.04952	4.3
95.08602	85.2
96.08952	4.7
97.06515	8.2
97.10170	10.5
105.06995	7.3
107.08577	21.2
109.10152	35.9
111.11670	4.2
118.71250	3.9
119.08576	10.2
121.10138	12.9
123.11711	15.4
124.17016	3.8
131.08527	4.2
133.10135	16.7
135.11671	8.8
137.13255	5.2
147.11678	10.8
149.13225	5.5
161.13229	7.5
163.03853	4.3
163.14812	7.5
190.65901	3.8
263.23715	5.9
337.27383	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
56.05029	2.2
56.96569	6.8
57.03425	1.7
61.02916	4.6
69.03432	11.8
69.61086	1.2
70.06589	4.7
71.05000	2.7
71.57405	2.6
73.02943	2.7
73.40780	1.6
74.06077	11.0
81.03396	5.3
83.04972	1.4
85.02906	25.6
86.09686	1.5
86.80167	1.3
87.04479	2.9
88.07616	4.7
88.74546	1.2
93.02724	1.2
95.04948	1.7
97.02900	10.9
97.06548	1.3
98.97575	3.9
99.04454	2.9
109.02873	4.1
111.04474	1.4
112.11259	2.4
113.49435	1.2
116.10735	1.6
116.98616	5.2
127.03919	6.7
128.98604	1.4
130.12277	100.0
134.99673	2.6
135.04419	2.6
137.06061	1.6
140.07091	1.8
145.04959	3.7
146.99661	1.7
147.04393	1.9
152.07025	3.5
153.01846	7.7
158.11784	2.7
163.03893	6.5
176.05243	1.4
176.06975	1.5
176.12825	87.3
177.00710	2.0
177.06516	1.4
191.03537	1.7
193.00145	2.4
194.06775	3.3
203.03436	2.9
219.02823	5.2
219.05017	1.3
237.02826	3.3
247.02385	5.0
275.01865	3.2
279.03357	1.8
293.02924	2.0
303.54922	1.5
338.18121	3.7
339.10245	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2371
Annotation	Acanthoaustralide
Peak:m/z	Relative Intensity
53.03939	9.5
55.01860	21.4
55.05267	8.5
55.05508	100.0
67.05171	7.2
67.05502	73.6
68.18400	5.2
69.03403	15.7
69.07064	74.4
69.69452	28.4
71.04986	31.1
73.06562	5.4
79.05492	71.4
81.03410	31.1
81.07046	97.9
83.04954	12.2
83.08614	87.2
85.02894	6.5
85.06544	45.2
85.07668	16.2
91.04967	8.4
91.05476	90.2
93.07038	77.7
95.04973	36.3
95.08618	44.2
97.06512	22.8
99.08099	8.2
101.06023	6.1
103.05453	9.3
105.07026	82.4
107.04963	17.0
107.08597	36.7
109.06499	22.4
109.10166	22.0
111.08063	25.2
114.01564	4.9
115.05463	11.7
117.06979	30.3
119.08570	47.2
121.06465	15.1
121.10135	18.3
123.08067	12.0
128.06236	5.7
129.06992	30.3
129.09184	5.2
131.04907	6.4
131.08569	59.9
133.06480	9.6
133.10152	36.6
135.08018	19.0
135.11684	12.1
136.07567	6.2
137.09595	11.0
137.47437	5.5
141.07013	10.1
142.07857	4.8
143.08553	34.5
145.06439	15.7
145.10107	34.9
147.08038	15.2
147.11684	29.5
149.09579	11.1
151.07513	5.3
151.11177	12.7
157.06514	5.0
157.10168	17.4
159.11685	16.2
161.09599	8.8
163.07489	9.1
167.07080	14.1
167.08617	6.9
169.10158	7.1
169.12221	9.3
171.11699	23.7
173.13257	21.2
175.07469	6.6
175.11176	7.2
183.11659	5.3
185.13237	15.0
189.12740	10.2
191.14290	15.8
193.12202	6.8
195.11740	7.9
197.61703	5.3
199.11253	5.8
199.14836	8.7
209.15385	17.2
217.01158	5.2
227.14279	5.6
245.15311	8.4
273.22046	6.2
301.21582	21.8
307.22656	6.4
309.07431	6.5
319.22736	73.9
337.01978	7.9
337.23776	95.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2369
Annotation	11S,12R-Epoxy-15S-hydroxy-5Z,8Z,13E-eicosatrienoic acid
Peak:m/z	Relative Intensity
50.54378	2.9
53.03941	7.9
55.01869	21.0
55.05510	100.0
57.03421	5.6
57.07067	5.8
58.07151	3.6
65.03925	6.2
67.05495	53.0
68.99789	4.9
69.03436	17.3
69.07061	63.1
71.04995	25.7
71.57654	5.6
73.06534	5.8
79.05494	43.0
81.03406	10.7
81.07052	62.6
81.40887	3.6
83.04980	9.6
83.08614	98.7
85.06544	18.9
91.05473	70.9
93.07034	57.6
95.04957	24.9
95.08602	45.9
97.06535	18.6
97.10162	6.0
99.08101	3.8
102.05520	7.0
103.05445	6.8
105.03405	5.5
105.07020	56.7
105.07688	6.0
107.04984	6.9
107.08578	30.8
109.02869	7.1
109.06499	14.8
109.10157	23.7
109.55059	3.3
111.08078	37.6
113.06084	4.5
115.05463	11.9
116.98598	3.5
117.07003	31.2
119.04982	5.8
119.08558	30.8
121.06506	16.7
121.10135	16.7
123.08079	7.1
123.11681	8.1
125.09623	9.2
128.06168	9.1
129.07013	26.9
129.09059	3.2
131.04974	3.8
131.08549	31.6
133.06506	10.1
133.10132	21.7
135.08052	9.4
135.11697	8.6
137.05966	7.9
137.09650	7.9
141.07005	7.0
142.07780	4.6
143.08543	13.9
145.06480	8.5
145.10149	21.6
147.08017	10.3
147.11671	11.7
149.09607	6.2
151.07515	6.9
151.11137	10.5
153.01791	25.0
155.08496	7.4
157.06483	6.4
157.10123	12.8
159.08073	6.7
159.11708	14.7
161.05983	20.1
161.09631	7.1
161.13216	8.2
163.03777	3.6
163.11172	4.4
165.09209	8.0
169.10051	7.6
171.11703	13.2
173.09648	5.3
173.13280	11.2
175.07539	23.3
175.11188	8.1
176.12831	10.3
181.10129	5.5
183.11679	4.8
185.13239	11.7
187.11131	4.7
189.09138	12.4
189.12732	7.6
191.14296	4.7
195.11658	4.5
197.13092	4.3
199.14719	3.6
201.12730	4.2
205.08510	6.9
209.13316	4.6
213.16399	4.4
215.14409	5.2
223.09697	11.8
227.14250	3.9
259.20587	4.0
273.22159	3.5
277.08322	4.0
283.20529	4.8
289.21677	6.1
301.21426	18.2
303.04993	3.8
319.22629	31.2
337.20306	4.7
337.23840	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2371
Annotation	11S,12R-Epoxy-15S-hydroxy-5Z,8Z,13E-eicosatrienoic acid
Peak:m/z	Relative Intensity
55.01863	12.2
55.05511	54.1
57.03423	8.9
57.07065	6.7
61.09187	4.3
65.03924	7.0
67.05170	5.5
67.05502	56.6
69.03423	33.9
69.07066	51.2
71.05000	25.5
73.02914	8.2
73.06557	48.8
79.05055	6.6
79.05491	57.9
79.52545	5.0
81.03407	14.2
81.07056	90.5
83.04992	12.1
83.08617	16.3
84.86823	4.1
85.02927	10.5
85.06541	28.7
91.05489	61.8
93.07038	63.6
95.04961	21.4
95.08608	68.9
97.02909	5.0
97.06544	21.0
98.21568	6.9
99.08095	8.5
101.06025	64.6
105.07034	100.0
107.04959	8.5
107.08581	62.9
109.02886	5.8
109.06513	22.6
109.10161	39.5
111.08087	17.3
115.05436	6.6
117.07020	32.8
118.78008	3.9
119.08576	73.4
121.06509	12.8
121.10146	37.5
123.08082	10.8
123.11690	15.0
125.09668	12.9
128.06226	9.5
129.06992	29.3
130.07799	5.7
131.04944	5.2
131.08565	64.0
133.10139	54.0
135.08047	13.6
135.11705	19.6
137.09595	12.2
139.11166	5.7
141.06989	12.5
142.07791	12.7
143.08539	44.1
145.06485	8.9
145.10129	57.2
147.08041	8.2
147.11711	32.7
149.09604	10.8
149.13268	14.9
151.11188	8.5
153.01807	6.2
155.08572	20.1
156.09378	6.5
157.10110	38.6
159.08031	7.4
159.11734	40.3
161.09636	9.3
161.13260	17.2
163.04007	5.7
163.11191	14.6
163.14864	7.0
165.06938	4.5
167.08571	6.5
169.10107	27.1
171.11714	39.0
173.09622	9.6
173.13274	27.9
175.11224	12.4
175.14836	12.0
177.12686	11.1
181.10136	7.7
183.11691	28.5
185.13217	33.0
186.13710	4.4
187.11160	10.6
187.14854	15.8
189.12712	7.4
191.14313	5.2
193.05035	4.7
193.12204	9.8
195.11716	11.5
197.13239	23.7
199.14841	18.0
201.12787	8.6
201.16310	5.8
203.14395	8.4
209.13266	15.4
209.15286	7.4
211.14784	13.1
213.12775	7.7
213.16383	15.9
221.15417	5.0
223.14738	10.7
225.16367	15.4
227.14381	7.8
234.11308	5.5
237.16469	8.3
239.18028	7.5
241.15906	7.3
241.19391	23.6
243.17444	8.9
253.19482	13.8
255.21011	7.4
259.17145	6.3
259.20541	9.8
265.19513	17.4
271.20605	17.7
283.20511	29.3
289.21701	15.2
301.21628	39.2
319.22647	68.7
337.10715	5.0
337.23700	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54378	2.9
53.03941	7.9
55.01869	21.0
55.05510	100.0
57.03421	5.6
57.07067	5.8
58.07151	3.6
65.03925	6.2
67.05495	53.0
68.99789	4.9
69.03436	17.3
69.07061	63.1
71.04995	25.7
71.57654	5.6
73.06534	5.8
79.05494	43.0
81.03406	10.7
81.07052	62.6
81.40887	3.6
83.04980	9.6
83.08614	98.7
85.06544	18.9
91.05473	70.9
93.07034	57.6
95.04957	24.9
95.08602	45.9
97.06535	18.6
97.10162	6.0
99.08101	3.8
102.05520	7.0
103.05445	6.8
105.03405	5.5
105.07020	56.7
105.07688	6.0
107.04984	6.9
107.08578	30.8
109.02869	7.1
109.06499	14.8
109.10157	23.7
109.55059	3.3
111.08078	37.6
113.06084	4.5
115.05463	11.9
116.98598	3.5
117.07003	31.2
119.04982	5.8
119.08558	30.8
121.06506	16.7
121.10135	16.7
123.08079	7.1
123.11681	8.1
125.09623	9.2
128.06168	9.1
129.07013	26.9
129.09059	3.2
131.04974	3.8
131.08549	31.6
133.06506	10.1
133.10132	21.7
135.08052	9.4
135.11697	8.6
137.05966	7.9
137.09650	7.9
141.07005	7.0
142.07780	4.6
143.08543	13.9
145.06480	8.5
145.10149	21.6
147.08017	10.3
147.11671	11.7
149.09607	6.2
151.07515	6.9
151.11137	10.5
153.01791	25.0
155.08496	7.4
157.06483	6.4
157.10123	12.8
159.08073	6.7
159.11708	14.7
161.05983	20.1
161.09631	7.1
161.13216	8.2
163.03777	3.6
163.11172	4.4
165.09209	8.0
169.10051	7.6
171.11703	13.2
173.09648	5.3
173.13280	11.2
175.07539	23.3
175.11188	8.1
176.12831	10.3
181.10129	5.5
183.11679	4.8
185.13239	11.7
187.11131	4.7
189.09138	12.4
189.12732	7.6
191.14296	4.7
195.11658	4.5
197.13092	4.3
199.14719	3.6
201.12730	4.2
205.08510	6.9
209.13316	4.6
213.16399	4.4
215.14409	5.2
223.09697	11.8
227.14250	3.9
259.20587	4.0
273.22159	3.5
277.08322	4.0
283.20529	4.8
289.21677	6.1
301.21426	18.2
303.04993	3.8
319.22629	31.2
337.20306	4.7
337.23840	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.4
55.01869	7.9
55.05503	9.6
57.03418	5.1
65.03937	8.7
66.46780	3.5
67.05489	9.6
69.03417	8.3
69.07056	12.4
69.56004	22.1
69.56411	9.6
71.98042	3.8
79.05492	13.5
80.50508	3.6
81.03373	8.8
81.07052	14.6
82.06567	13.6
83.06922	4.7
83.08609	6.1
85.02892	6.7
91.05459	14.6
92.04983	14.5
93.07031	15.5
95.04974	6.9
95.08596	11.2
96.08093	7.0
97.06525	7.6
105.07014	13.5
107.08579	12.6
109.06534	4.8
109.10139	7.8
111.04427	5.1
116.35060	3.6
117.07009	5.6
119.08573	11.4
121.10129	6.5
124.07550	10.2
126.09117	16.2
128.07076	18.2
128.48622	3.8
129.07350	12.6
130.06548	4.2
131.04857	5.3
131.08578	6.5
133.06490	4.2
133.10126	10.5
135.08099	4.7
136.19855	3.7
138.05478	5.4
138.09090	5.6
143.08588	4.9
145.06490	4.1
145.10138	6.4
147.08055	6.3
148.03961	4.3
149.05980	5.2
152.07063	46.9
163.03888	5.4
166.04988	100.0
166.06306	8.0
173.09583	5.7
173.13232	8.1
175.14784	9.6
176.03395	12.7
182.04529	16.4
187.14847	4.5
194.04478	11.7
217.01372	4.1
227.08189	4.4
227.11600	7.2
228.10173	5.8
229.13377	5.1
237.11191	5.0
240.08942	4.4
253.09688	5.7
255.11214	9.8
261.12247	5.3
271.10693	19.4
273.12268	7.0
283.10739	78.7
289.11731	14.7
301.11819	65.9
319.12866	62.5
319.19055	10.3
326.83475	4.6
337.14581	13.7
337.19928	11.7
338.19824	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	337.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86487	8.8
56.96569	14.7
65.13605	9.1
65.42780	8.4
69.03441	16.3
71.30762	18.6
85.02869	9.3
98.97577	15.8
101.00858	19.1
103.02428	22.3
107.39407	9.5
114.98819	8.1
119.01910	39.8
120.94650	8.5
122.76887	9.0
131.01917	54.5
145.03468	61.5
149.02953	9.7
155.01952	15.7
157.03487	30.4
173.02957	71.6
175.04510	24.2
185.02959	14.3
189.02464	17.7
202.10597	9.7
217.01932	75.6
221.04935	14.6
222.30516	10.1
229.01956	33.9
235.03004	35.8
239.06192	11.2
247.02892	13.1
253.03870	9.8
310.05661	10.9
337.08932	100.0
337.11136	90.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58023	4.7
52.80693	5.1
55.05526	6.1
67.05512	10.5
69.03443	5.1
69.07056	5.8
69.50797	45.2
71.04987	4.5
73.08807	6.8
79.05499	48.9
82.06607	24.9
85.02888	16.8
91.05476	16.6
93.07043	68.3
95.04939	14.2
95.08547	6.4
100.07584	8.5
103.05464	8.2
109.02871	7.5
111.08066	16.2
121.06476	16.1
127.03922	5.3
128.07085	100.0
139.07541	62.0
142.08641	14.1
162.59813	4.9
163.03886	16.8
188.09184	12.2
191.03384	7.0
231.89111	5.5
259.02414	5.9
288.10538	6.2
312.17462	5.0
318.11649	11.4
336.14554	32.1
336.18259	6.3
337.01828	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	337.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	100.0
57.03415	3.8
61.02910	3.5
69.03423	10.4
70.98112	17.6
71.31875	4.7
71.95245	2.6
74.28182	2.0
74.97600	4.5
81.03401	7.7
83.04954	4.2
84.96018	9.4
85.02907	18.0
88.99138	16.6
97.02897	10.4
98.97576	60.4
102.97033	2.1
107.00162	6.4
109.02855	2.6
110.97536	14.6
111.04435	2.6
112.99148	6.6
115.00613	2.3
116.98614	52.5
116.99437	2.8
119.01920	4.3
127.03960	2.4
128.98587	36.3
131.00168	11.1
133.01686	9.2
134.99644	34.4
140.98563	4.7
142.96506	8.7
143.00160	2.1
144.98076	2.2
145.01706	4.0
145.03488	3.7
146.99649	48.7
149.01166	11.8
151.02763	4.3
152.98662	2.4
153.00706	4.8
153.01830	5.1
157.01764	2.8
157.03397	3.3
158.99698	13.7
159.68831	2.2
160.97583	7.3
161.01161	4.2
161.02753	2.8
162.99139	4.7
165.00726	33.8
170.96021	3.0
170.99626	9.0
173.02925	3.3
174.99126	8.4
175.02759	5.7
175.04285	2.2
177.00685	19.0
177.04260	2.7
179.02284	2.7
183.01740	5.8
184.97560	3.9
188.97041	31.4
189.00696	24.2
190.98630	4.0
191.02196	2.8
193.00171	17.6
193.03841	4.9
201.00713	3.2
202.98589	14.3
205.00191	8.9
206.98134	27.0
207.01718	23.3
217.00171	6.3
217.02039	3.3
219.01707	15.5
220.99733	14.1
221.05122	3.0
223.01163	11.1
224.99109	4.7
229.01936	2.6
230.98117	30.7
232.99791	3.1
235.01025	4.5
237.02788	35.0
244.99713	14.2
248.99117	15.7
255.03925	5.4
263.00754	57.7
277.02341	9.4
277.05902	10.1
277.09341	4.6
281.01718	15.8
286.02304	3.9
295.03644	3.8
295.06992	39.2
295.10571	7.2
328.35663	2.5
337.04507	4.0
337.08148	10.9
355.09109	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71024	36.8
82.72765	5.0
88.78365	4.4
98.21426	8.6
102.25504	5.1
119.01908	10.9
131.01889	11.2
145.03476	7.9
157.03485	11.1
173.02904	6.6
217.01947	11.4
264.46481	5.7
337.09070	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03935	4.4
55.05262	2.4
55.05508	25.8
57.03151	2.0
57.03432	31.3
57.07061	2.2
62.99784	1.4
65.03921	3.7
67.05500	99.8
69.06719	2.4
69.07065	27.3
71.04968	2.9
79.05488	58.6
81.07050	100.0
83.04974	2.8
83.08622	8.2
91.05474	27.0
93.06477	3.4
93.07038	59.7
95.04961	7.1
95.08600	74.2
97.06528	3.8
97.10175	3.1
99.08077	2.5
105.07038	14.8
107.08582	25.9
109.06501	3.1
109.10145	32.1
117.06991	5.9
119.08567	11.3
121.10143	26.5
123.08038	2.3
123.11679	10.6
131.08575	11.0
133.10121	9.0
135.11696	13.9
137.13234	3.3
145.10089	7.2
147.11679	8.2
149.13278	6.8
159.11670	5.7
161.13269	8.2
163.14809	2.1
173.13269	5.5
175.14861	1.6
183.16345	1.4
192.09491	1.6
201.16473	1.7
229.22113	2.1
243.21056	2.9
261.22156	7.3
290.44788	1.9
303.35822	2.0
317.24786	2.1
335.25769	90.6
336.26123	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	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.46922	3.7
52.46916	3.5
53.03952	6.9
55.05520	24.4
57.03435	25.4
67.05508	88.5
67.70183	4.1
69.07069	21.1
69.34822	22.9
69.35249	16.9
71.55610	4.0
79.05494	34.2
81.07056	100.0
83.05038	4.7
83.08607	9.7
85.06542	5.2
91.05479	26.4
93.07043	54.6
95.04939	6.8
95.08606	67.7
97.06535	3.6
105.07024	13.7
107.08589	28.4
109.10138	29.7
110.34904	3.7
117.06998	8.0
119.08596	14.1
121.10145	26.5
123.11708	12.9
131.08583	11.5
133.10143	8.5
135.11713	16.8
145.10109	6.4
149.13284	10.0
159.11708	7.8
161.13342	4.6
223.60553	3.8
261.22028	7.7
335.22003	8.6
335.25787	99.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	13.9
56.96544	14.3
69.07049	22.8
69.78827	100.0
79.05500	34.5
80.11001	13.2
81.03411	31.1
85.02892	16.6
89.55101	13.6
91.05468	17.1
93.07016	31.9
105.03407	15.0
106.02911	15.7
109.02888	17.5
118.41480	15.4
139.07549	27.5
152.07069	14.7
153.01797	17.9
161.02292	19.2
163.03835	26.5
168.27103	13.4
179.03365	23.9
189.01823	31.4
191.03326	19.4
203.03366	14.9
207.02849	23.1
217.01361	33.5
219.02937	31.2
235.02396	44.3
245.00880	39.9
247.02466	17.2
249.04181	15.7
273.00375	30.7
275.01794	18.5
275.23849	16.3
337.02036	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.38090	1.2
53.03930	4.5
53.04440	1.2
53.58691	1.3
55.01868	1.9
55.05266	1.9
55.05511	26.6
57.03188	1.6
57.03438	23.0
57.07067	1.8
65.03936	3.4
67.05503	100.0
69.07069	19.1
69.36407	8.0
69.36831	4.2
71.05005	1.7
72.61554	1.2
75.86133	1.1
79.05491	51.5
81.07053	82.2
83.04966	2.9
83.08610	8.6
85.06559	1.8
91.05482	22.0
93.07041	49.8
95.04970	5.1
95.08601	63.3
97.06502	2.9
97.10159	4.2
102.02275	1.1
105.07035	15.1
107.08589	23.0
109.06505	1.8
109.09445	2.4
109.10145	22.9
111.08110	1.2
117.07013	3.7
119.08577	12.6
121.10136	20.6
123.08115	1.3
123.11714	7.2
131.08574	9.3
133.10129	6.8
135.11688	12.1
137.09532	1.4
137.13228	2.3
145.10144	4.9
147.11670	5.0
149.13260	5.3
159.11708	3.7
161.12080	1.4
161.13274	4.9
163.14888	2.4
173.13232	2.5
175.14755	1.7
187.14734	2.1
196.03429	1.2
243.21196	1.7
261.22134	4.6
335.25787	63.6
336.26208	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03950	3.2
55.01856	4.0
55.05508	24.0
57.03438	2.6
57.07074	7.4
59.05000	2.7
65.03942	2.6
67.05508	34.1
69.03442	7.6
69.07068	48.5
69.32985	17.2
69.99907	1.4
70.06604	2.2
71.04980	5.3
71.08631	2.2
79.05494	24.1
81.07056	100.0
83.04980	12.3
83.08624	20.2
85.06543	13.0
91.05480	14.5
93.07046	50.1
95.04952	8.3
95.08602	64.1
97.06522	15.7
97.10173	4.8
99.04443	3.6
99.08102	7.7
101.06020	2.8
105.04530	1.5
105.07030	48.2
107.08592	53.0
107.09302	3.4
109.06517	30.6
109.10155	55.6
111.08098	10.5
111.11752	5.7
115.07562	2.2
117.07028	4.8
119.08578	54.9
121.06535	4.0
121.10143	34.3
123.08064	18.7
123.11718	18.3
125.06022	2.2
125.09660	4.9
127.07555	11.0
131.08548	8.1
133.06541	2.2
133.10121	21.4
134.55562	1.5
135.08054	4.9
135.11682	30.9
137.06012	2.3
137.09624	14.1
137.13280	5.1
139.07481	2.2
139.11197	5.6
141.09113	2.3
143.08575	2.6
145.10101	14.7
147.11679	38.7
149.09613	7.5
149.13257	13.5
151.11191	33.2
151.14813	1.9
153.09053	2.2
153.12746	11.0
155.10710	1.8
157.10199	3.8
159.11674	12.3
161.13260	42.9
161.14604	2.1
162.13719	1.9
163.11223	4.3
163.14853	7.1
165.12740	25.0
167.10709	3.8
169.12201	2.3
171.11751	4.7
173.13275	6.7
175.14877	5.6
177.12775	8.3
177.16362	3.8
179.14349	9.0
181.12199	2.7
185.13190	2.6
187.14882	7.2
189.12711	9.2
189.16391	8.4
191.14330	4.0
191.17970	2.6
193.12250	19.9
195.13849	4.4
199.14844	3.2
201.16414	4.7
203.17972	3.4
205.15915	4.9
207.13754	18.5
207.17401	10.2
209.02866	1.8
215.17992	2.0
216.89421	1.8
219.17496	3.7
221.15504	2.0
223.16898	2.3
229.14304	7.5
237.18559	4.3
243.15819	3.6
257.19104	2.8
261.18475	3.9
271.13074	1.6
271.24313	3.7
275.23801	2.6
281.22675	6.9
289.25204	8.0
298.51846	1.5
299.23615	12.7
310.03220	1.6
317.24719	28.3
335.25891	52.3
335.29874	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	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03933	3.0
55.05266	1.9
55.05511	25.8
57.03439	25.2
57.07082	2.2
58.98422	1.4
65.03935	2.9
67.05505	100.0
69.07069	21.2
70.83609	3.3
71.04979	3.0
72.44412	1.6
79.05490	47.7
81.07058	81.3
83.04978	1.7
83.08608	6.6
85.06542	2.4
89.11613	1.6
90.93943	2.0
91.05477	20.1
93.07041	53.4
93.07632	2.7
95.04969	5.8
95.08608	69.4
97.06534	2.6
97.10146	4.5
105.07018	13.3
107.08594	28.2
109.06515	1.7
109.10149	25.8
117.07013	4.7
119.08607	11.7
121.10130	17.7
123.08059	1.8
123.11730	8.5
131.08551	9.3
133.10107	8.6
135.11687	14.2
145.10149	7.0
147.11722	4.1
149.13245	7.3
159.11725	4.4
161.13286	3.7
163.14816	2.5
173.13258	6.9
175.14780	2.0
184.48021	1.7
187.14796	2.5
243.21092	2.9
261.22079	7.0
335.25815	75.1
336.25998	2.4
357.09238	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.3
53.03714	1.6
53.03949	28.9
55.01871	12.6
55.05510	8.5
57.03435	11.9
65.03926	1.6
67.05502	34.7
69.07053	2.9
71.04980	1.6
71.58926	2.5
73.02914	2.7
77.03919	1.3
79.05493	39.4
81.03418	77.7
81.07060	20.8
83.04967	1.7
83.08609	2.2
91.05483	32.7
93.07043	57.5
95.04964	23.6
95.08607	85.1
97.06537	2.3
101.02413	1.6
103.05461	2.6
105.04524	3.0
105.07050	6.5
107.04967	1.9
107.08582	3.0
109.06506	1.5
109.10126	2.8
111.08076	3.5
119.08542	2.8
121.06491	17.8
121.10126	3.2
123.08064	100.0
129.05504	6.1
131.08533	3.4
133.10123	2.5
135.08023	2.4
135.11650	1.6
139.07552	5.4
141.09103	1.6
145.10104	1.9
147.11685	2.0
149.09622	3.0
154.55652	1.4
177.09088	3.5
181.35045	1.3
195.10211	13.3
197.11653	7.4
247.36559	1.3
264.66229	1.3
285.10306	1.9
335.21979	4.9
335.25806	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	335.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	13.4
56.96517	1.7
57.03440	11.4
65.03938	2.2
67.05508	41.8
69.07072	10.4
69.43214	6.3
69.43640	7.7
71.04976	2.4
72.04505	1.9
79.05495	22.5
81.07056	31.0
83.04984	1.8
83.08624	5.1
91.05496	12.7
93.07047	23.4
95.04977	4.5
95.08607	29.8
97.06537	1.9
98.21574	2.8
105.07029	8.8
107.08593	10.6
109.06506	3.2
109.10169	12.6
117.07010	1.8
119.08572	6.3
121.10152	8.3
123.08043	1.6
123.11702	4.6
131.08542	4.0
133.10146	4.1
135.11696	4.5
147.11673	2.2
149.13217	3.0
151.11238	2.0
159.11752	2.7
166.13263	2.0
177.12761	1.9
294.24377	2.5
335.21872	100.0
335.25824	25.1
336.22195	4.5
336.25861	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	335.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
55.05268	1.5
55.05508	20.2
57.03428	13.6
57.07063	2.9
65.03927	3.1
67.05501	73.0
69.07066	24.1
71.04984	2.0
79.05489	44.9
81.07050	64.1
83.04974	2.0
83.08611	9.3
91.05471	25.4
93.07040	47.4
95.04958	5.9
95.08603	50.0
97.06507	3.6
97.10175	2.9
97.41588	1.6
99.08086	2.3
105.07030	16.3
107.08582	21.4
109.06509	1.5
109.10147	17.3
114.75811	1.3
117.07025	3.4
119.08575	11.1
121.10131	18.6
123.11715	7.9
125.09594	1.7
130.19583	1.8
131.08621	6.6
133.10121	11.8
135.08023	1.6
135.11710	11.7
137.13275	2.5
143.08620	1.8
145.10115	4.6
147.11697	5.9
149.13286	3.9
154.42537	1.3
159.11691	3.9
161.13286	2.8
173.13225	2.3
174.88895	1.4
175.14828	1.5
180.13852	1.4
184.30832	1.4
189.85161	1.5
213.91563	1.4
238.18463	1.8
261.21976	2.3
270.89514	1.3
317.24783	2.0
335.21884	100.0
335.25803	49.8
336.22235	5.1
353.21542	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.3
53.03714	1.6
53.03949	28.9
55.01871	12.6
55.05510	8.5
57.03435	11.9
65.03926	1.6
67.05502	34.7
69.07053	2.9
71.04980	1.6
71.58926	2.5
73.02914	2.7
77.03919	1.3
79.05493	39.4
81.03418	77.7
81.07060	20.8
83.04967	1.7
83.08609	2.2
91.05483	32.7
93.07043	57.5
95.04964	23.6
95.08607	85.1
97.06537	2.3
101.02413	1.6
103.05461	2.6
105.04524	3.0
105.07050	6.5
107.04967	1.9
107.08582	3.0
109.06506	1.5
109.10126	2.8
111.08076	3.5
119.08542	2.8
121.06491	17.8
121.10126	3.2
123.08064	100.0
129.05504	6.1
131.08533	3.4
133.10123	2.5
135.08023	2.4
135.11650	1.6
139.07552	5.4
141.09103	1.6
145.10104	1.9
147.11685	2.0
149.09622	3.0
154.55652	1.4
177.09088	3.5
181.35045	1.3
195.10211	13.3
197.11653	7.4
247.36559	1.3
264.66229	1.3
285.10306	1.9
335.21979	4.9
335.25806	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	335.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47711	3.8
67.57388	3.5
68.00775	3.5
69.94839	18.5
75.21709	3.4
94.16584	3.2
119.01894	5.3
128.74365	3.8
131.01907	4.2
135.52707	4.4
158.73943	3.7
161.03070	3.8
187.08452	3.7
276.02710	3.4
277.44125	3.9
303.01373	6.6
335.09738	100.0
335.13583	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	335.0737
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
52.73171	10.3
65.36600	9.6
69.63386	11.7
71.13218	24.6
77.43694	10.4
85.02905	11.9
97.02801	12.9
106.70858	11.2
119.01877	14.0
127.03914	16.4
195.06474	10.3
201.00737	12.1
213.86626	13.5
214.66801	10.3
262.03180	11.0
303.01324	19.0
305.32724	12.0
335.07452	100.0
335.10150	11.5
335.13107	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.05498	3.2
64.34777	0.7
65.03938	5.0
66.70461	0.7
67.05504	6.0
69.03435	1.2
69.07067	100.0
70.07423	0.8
70.70997	1.4
70.71342	1.6
79.05500	3.8
80.05042	1.2
81.07043	6.8
83.08627	1.0
85.06561	1.5
91.05475	2.7
92.05020	3.9
93.07030	4.3
94.06576	4.9
95.04950	2.9
95.08588	2.3
96.08121	1.0
97.06530	17.8
105.07022	3.0
107.08558	1.9
108.04468	2.3
109.06496	1.8
109.10129	1.4
115.05521	0.9
117.07031	1.7
119.08564	1.9
120.04422	1.0
121.05241	1.2
121.06516	1.5
121.10109	1.3
122.06039	8.5
124.07587	2.8
125.05985	1.7
129.06972	0.8
129.98027	0.9
130.06525	0.9
131.04990	0.9
131.08577	1.2
133.10161	1.2
135.08083	0.9
135.11615	0.9
137.05957	2.9
138.05499	6.1
140.07060	8.2
142.08646	0.8
143.07333	0.9
144.08076	2.5
145.08810	3.4
145.10118	2.1
146.09654	2.9
147.08049	0.8
148.04004	1.1
148.91946	0.8
149.09586	0.9
150.05502	72.8
151.05797	1.2
152.03386	0.8
153.01799	1.2
155.08530	1.2
157.08853	2.9
157.10097	1.5
158.09653	1.3
159.10428	1.1
159.11687	0.8
160.07556	1.3
161.08330	2.4
162.09210	1.8
164.03406	1.9
165.04253	1.2
166.04999	30.1
167.07266	1.0
168.06573	1.2
169.39218	0.7
171.06799	1.0
172.07602	2.3
172.11177	4.5
173.08353	2.5
173.09688	1.4
174.09151	1.3
174.12796	6.6
176.03419	7.6
178.04971	1.9
185.08437	1.9
186.05624	1.0
186.07590	1.9
186.09145	1.4
187.09908	1.1
188.07053	1.0
188.10704	1.3
190.08606	1.0
190.12285	4.6
194.04480	3.1
198.07736	1.2
200.07088	1.0
200.10770	8.1
202.12270	8.0
206.11897	0.8
213.10236	1.4
216.10176	4.1
218.08359	1.8
218.11771	26.9
225.10170	1.1
226.08620	1.0
228.10184	14.7
228.12315	1.3
234.11217	3.4
243.07765	1.1
243.11270	1.3
244.09579	1.8
245.12833	1.4
246.11255	22.7
247.11501	0.9
250.34303	0.9
253.19508	1.1
255.11368	1.3
256.09692	1.8
257.09372	2.7
261.12405	1.5
271.10800	3.7
271.20624	1.3
272.09128	4.2
273.12305	3.0
274.10678	1.6
281.18893	1.2
287.10294	8.6
289.11795	8.2
290.10046	1.4
299.10300	4.2
299.19965	2.0
317.11319	21.0
317.21078	1.8
335.12360	11.2
335.22275	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.05505	1.3
56.45109	0.7
56.96563	100.0
57.03438	1.1
60.47143	0.7
61.02915	1.2
65.07416	0.8
66.61351	0.8
69.03433	5.0
69.91902	0.7
70.98116	7.5
71.04990	0.9
74.97588	7.1
74.97933	0.8
79.01842	1.0
81.03418	2.4
83.04967	1.2
84.96040	4.8
85.02895	4.5
86.97583	1.6
87.04477	1.5
88.99161	7.0
92.98651	1.2
97.02891	2.7
97.99178	1.2
98.97583	5.9
98.98518	0.8
100.99133	5.7
101.06006	1.6
102.97036	1.2
103.03961	0.8
107.00175	3.6
109.02894	1.5
110.97566	4.0
115.00648	1.1
116.98588	5.9
119.00173	9.7
119.01897	4.3
128.98595	8.2
130.96544	1.4
131.01900	3.0
133.01743	3.8
133.03447	1.9
134.99663	5.2
137.01219	2.8
137.05972	1.3
143.01875	4.9
144.98070	17.7
145.03519	1.1
146.99654	12.6
147.04402	0.8
148.97571	4.9
149.06563	1.2
151.02736	1.0
153.00728	1.8
153.01833	6.1
154.02209	1.4
155.01949	1.9
158.99678	0.9
161.01279	4.3
161.02960	6.6
162.99138	38.0
165.00749	2.5
166.98657	3.1
170.99731	1.5
173.02916	3.2
173.06601	2.6
177.00702	4.0
179.02307	1.3
181.00195	25.8
185.06595	5.0
186.00728	2.1
186.99115	3.9
187.08220	1.0
189.00665	1.0
191.06123	0.9
191.07637	1.7
199.01276	3.9
201.01988	1.9
203.03770	1.0
203.07680	2.9
204.01794	1.4
205.00200	29.7
215.07645	1.1
219.01637	1.7
221.05080	3.0
223.01244	88.1
224.01627	1.1
228.01782	2.7
228.06747	0.9
229.62639	1.0
231.02956	1.2
234.99069	1.0
237.02876	3.2
241.02280	14.6
246.02876	7.2
247.01219	20.9
257.00870	1.7
259.01151	3.6
265.02335	10.8
275.01254	2.5
275.09723	5.9
277.03000	1.6
280.99414	0.8
285.00372	0.9
285.87137	0.8
288.03961	1.8
293.01749	1.4
293.10806	8.7
303.01337	11.2
304.01712	1.2
305.94580	0.9
309.08563	0.9
317.01730	3.6
335.02908	7.9
335.13110	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	335.0737
Annotation	sn-Glycero-3-phospho-1-inositol
Peak:m/z	Relative Intensity
53.47711	3.8
67.57388	3.5
68.00775	3.5
69.94839	18.5
75.21709	3.4
94.16584	3.2
119.01894	5.3
128.74365	3.8
131.01907	4.2
135.52707	4.4
158.73943	3.7
161.03070	3.8
187.08452	3.7
276.02710	3.4
277.44125	3.9
303.01373	6.6
335.09738	100.0
335.13583	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	334.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47995	2.2
55.01862	5.2
55.05515	14.5
57.03425	7.4
57.07063	7.3
58.70898	1.9
61.01199	1.9
65.03944	2.1
67.05505	39.3
68.18389	2.2
69.03410	2.6
69.07072	14.4
69.32701	22.7
71.04994	2.9
71.08626	11.4
72.04519	76.2
79.05488	24.3
80.05794	2.0
81.07055	43.4
83.08611	4.3
85.06533	5.5
91.05488	18.4
93.07043	27.5
95.04982	19.9
95.08047	3.5
95.08607	39.4
97.06532	5.8
98.98449	2.4
99.08086	7.0
100.07620	2.8
105.07024	18.0
107.08592	19.3
109.06515	28.2
109.10153	12.6
114.09161	19.6
117.06987	4.2
119.08582	9.6
121.06502	6.0
121.10133	10.7
123.08073	3.4
123.11672	2.4
128.10716	9.7
131.08585	9.7
133.10135	11.2
134.22803	2.0
135.08029	4.0
135.11691	4.3
142.12280	5.9
145.10132	5.1
147.11679	7.7
149.09631	3.4
149.13274	7.3
156.13821	4.1
159.11761	3.7
162.45834	2.2
163.11104	2.7
165.12756	100.0
173.13257	11.6
175.11182	6.4
180.13806	4.1
182.15375	13.0
184.13295	2.1
191.14317	7.9
201.12654	5.0
212.16502	11.7
220.16974	12.6
229.19513	4.1
236.17953	1.5
236.20074	41.7
261.22302	2.8
271.20572	3.8
276.75500	2.1
289.21597	7.5
316.26303	6.6
334.24051	3.3
334.27438	32.0
335.25583	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	334.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
55.05513	6.0
56.05041	3.1
57.03442	0.8
57.07072	2.9
60.04525	100.0
61.04903	0.6
67.05504	10.8
68.05031	1.0
69.03432	0.7
69.07069	6.8
71.04997	0.7
71.08637	1.6
72.04523	2.4
73.23423	0.6
74.06081	2.1
79.05483	3.8
80.05016	1.1
81.07056	12.4
82.06586	1.9
83.04990	1.3
83.08620	5.6
84.04504	0.9
85.10178	0.9
90.05530	1.5
91.05493	2.7
93.07030	4.7
95.04951	1.3
95.08604	14.1
95.09171	1.3
96.08160	1.0
96.19431	0.7
97.10175	2.4
102.05535	2.4
105.07055	2.1
107.08598	2.5
109.06504	1.2
109.10152	6.5
111.11743	0.9
116.07095	1.5
119.08591	2.8
120.08833	0.9
121.10156	2.0
122.10551	0.9
123.11723	1.9
125.13304	0.8
133.10168	1.6
135.11697	1.5
137.13274	1.2
138.55899	0.7
141.06816	0.7
147.11676	0.8
161.13278	0.8
162.13594	0.7
221.22720	0.7
239.23781	2.0
250.25285	1.6
262.25314	1.7
263.23798	1.4
280.26352	9.1
298.27390	16.1
299.27612	0.8
316.28473	37.7
317.28595	1.1
334.29501	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	334.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06192	3.2
65.03922	6.8
67.05495	7.2
69.03431	18.7
71.13168	7.5
74.59124	3.5
79.05492	16.4
81.03414	4.4
81.07064	34.8
85.02903	15.5
91.05483	58.2
93.07056	4.3
95.04969	15.6
95.27168	3.2
97.02884	4.7
106.14409	3.2
109.02880	3.4
109.06522	18.7
119.03473	3.1
119.04952	37.5
127.03951	4.7
137.05986	76.0
145.05022	3.5
161.02304	4.1
162.02757	5.6
162.05435	3.4
163.03848	4.3
172.09724	3.6
182.59123	3.2
189.01819	5.2
190.02199	6.4
191.03395	7.5
217.01590	3.4
218.01741	11.6
219.02805	4.5
235.02119	5.5
236.02777	7.0
245.00900	4.8
246.01088	7.5
247.02295	3.8
250.04140	15.2
273.00320	4.3
274.00653	16.6
275.01517	4.3
276.02661	14.1
277.57230	3.5
278.03793	5.1
291.05057	9.3
292.01749	6.4
302.00092	18.6
303.01285	28.2
317.11160	6.1
334.15567	100.0
335.12070	3.9
335.15805	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	334.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	10.2
57.03424	7.8
64.86572	6.1
65.03924	12.5
67.05500	15.4
69.03423	46.7
70.08305	14.3
70.08721	26.6
73.02908	9.4
79.05482	22.3
81.03404	31.6
81.07051	24.2
85.02907	74.1
86.99094	7.6
91.05481	100.0
95.04963	24.2
95.75839	6.7
97.02902	26.7
99.04438	19.6
107.04971	8.2
109.02877	24.8
109.06546	14.3
116.04947	9.7
119.04951	27.6
127.03936	47.8
129.91034	7.5
137.05966	87.2
138.05476	12.7
145.04948	20.6
161.05920	11.1
170.03821	6.8
172.03914	36.9
182.13818	7.0
263.09055	14.2
280.09467	8.3
281.10123	11.2
282.39828	7.9
317.11282	10.8
320.77408	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	333.2786
Annotation	7,10,13,16-Docosatetraenoic acid
Peak:m/z	Relative Intensity
51.96150	2.5
53.03967	2.7
53.11058	2.6
55.05510	21.9
56.05016	2.6
56.96547	4.6
57.07068	13.2
58.06584	2.7
59.44814	2.7
67.05505	30.0
69.07074	19.6
69.77583	14.6
71.08604	4.9
79.05482	10.3
79.17623	2.8
81.07059	41.0
83.04973	4.4
83.08622	22.6
85.06525	3.3
88.07634	17.7
91.05479	12.3
93.07042	24.4
95.07996	3.8
95.08606	65.9
97.06522	4.2
97.10157	13.4
98.98468	28.7
99.08089	11.0
105.07011	21.8
107.08586	42.0
109.06505	3.8
109.10153	64.1
111.08077	6.6
111.11699	3.9
113.09682	13.7
119.08585	26.1
121.10149	42.0
123.08031	3.8
123.11712	20.7
125.09631	21.8
131.08551	8.1
132.10196	6.4
133.10133	41.0
134.95087	3.1
135.11719	23.5
137.09619	6.1
137.13263	6.8
139.11198	5.6
140.01132	3.1
145.10149	11.0
147.11699	17.9
149.09612	3.0
149.13255	17.2
151.11130	4.2
151.14809	5.1
157.10133	5.3
159.11644	18.2
161.13251	13.6
163.11188	6.3
163.14833	10.2
165.12708	6.8
171.11601	3.6
173.13277	10.6
175.14807	13.8
177.12747	6.7
177.16385	11.8
185.13255	4.2
187.14822	6.5
189.12787	3.3
189.16370	13.2
191.14369	3.2
191.17995	4.6
199.14784	2.5
200.74648	2.9
201.16356	13.4
203.17920	7.1
205.15875	8.5
215.17903	5.3
219.17438	11.4
229.19524	8.0
231.21062	6.5
233.18977	15.8
241.03629	2.7
241.19632	4.2
242.24814	12.7
245.19073	4.0
247.20573	7.6
271.23984	3.2
286.27319	3.9
287.27380	8.2
297.25775	8.0
303.26743	22.4
315.26816	98.3
316.27420	3.0
333.20578	7.0
333.24020	7.2
333.27890	100.0
334.29562	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2786
Annotation	Trixagol acetate
Peak:m/z	Relative Intensity
55.05509	25.0
57.07067	11.0
59.19316	10.0
61.06123	9.2
67.05493	36.5
69.07065	56.0
69.37175	100.0
79.05497	11.8
81.07047	44.9
83.08595	15.7
85.72044	12.3
87.66006	10.1
93.07044	31.9
95.08595	94.9
97.10168	12.3
105.07016	16.5
106.66832	13.5
107.08589	43.1
109.10146	81.1
121.10149	57.7
123.11700	35.3
124.01079	12.7
133.10132	22.4
135.11664	29.3
137.13254	14.1
149.13257	18.8
161.92355	9.9
163.14807	18.2
177.16386	13.2
333.28003	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	4.1
57.03447	1.8
57.54867	1.3
65.42920	1.3
67.05486	5.1
69.07050	1.5
70.06583	1.8
79.05474	4.0
81.07043	5.8
85.02888	1.9
88.07601	1.4
91.05480	4.0
93.07044	5.5
95.08598	2.5
97.96376	1.3
98.98458	17.1
100.98901	1.9
105.07030	4.3
107.08571	4.3
117.07021	1.7
119.08553	2.3
121.10114	2.2
133.10086	1.9
135.11688	2.5
137.06032	1.8
145.10098	2.3
149.02373	1.8
167.07074	1.6
176.98959	1.8
193.04955	2.3
205.82167	1.3
229.17311	1.4
255.09027	3.6
273.10394	1.8
287.11588	2.4
302.23917	1.9
333.16959	3.7
333.20343	100.0
333.76068	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	333.2059
Annotation	Cespihypotin V
Peak:m/z	Relative Intensity
55.01865	10.3
55.05510	22.6
57.03434	5.7
67.05495	18.6
69.07064	14.0
71.04989	4.9
71.25017	6.1
71.25345	4.2
79.05488	31.7
81.07062	19.3
82.51900	3.4
83.08607	10.1
85.06532	5.3
91.05488	30.9
93.07042	25.8
95.04989	8.8
95.08617	13.1
97.06502	5.5
98.75395	3.2
98.98445	15.4
105.07023	32.7
107.04949	33.2
107.08575	17.3
109.10161	5.3
115.05452	3.8
117.07014	33.1
119.08575	24.6
121.06470	4.5
121.10146	20.3
124.38831	3.0
128.06232	4.9
129.06982	22.1
131.08577	41.2
133.10124	15.5
135.08022	6.1
139.06494	6.8
139.07529	69.9
141.07013	5.5
142.07800	5.5
143.08548	20.2
145.06456	6.8
145.10138	26.6
146.07118	3.0
147.08017	5.9
147.11703	7.1
149.09621	22.7
152.04977	3.3
155.08617	5.9
157.06464	4.3
157.10130	22.6
159.08096	5.3
159.11699	26.1
161.09650	5.5
161.13324	3.6
163.11244	6.6
167.08585	6.3
167.10693	11.1
169.10146	6.8
171.08057	5.8
171.11713	13.2
173.09587	6.6
173.13261	12.9
175.11250	4.6
177.09166	4.2
177.12773	8.8
181.10143	6.7
185.13223	9.1
187.11203	5.1
187.14864	4.4
195.11696	8.9
199.11247	6.1
199.14806	6.2
203.10666	30.4
213.12726	9.9
219.13777	3.7
227.14270	5.0
227.17947	5.8
231.13898	4.1
237.12738	4.0
237.16486	5.6
245.15421	3.9
251.18095	4.7
267.94293	3.4
269.19016	13.5
273.18558	22.9
274.09717	3.5
279.17422	5.3
279.54819	3.3
287.19998	44.8
289.21762	5.9
297.18423	19.9
315.19601	56.0
333.20587	100.0
333.24274	4.9
350.64832	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	333.2784
Annotation	Trixagol acetate
Peak:m/z	Relative Intensity
55.05505	18.4
57.03432	2.8
57.07061	9.1
59.04994	3.2
62.23301	2.3
67.05496	24.6
69.07066	45.2
71.08626	4.6
73.06560	3.0
79.05492	11.5
81.07049	54.0
83.08627	18.5
85.06535	4.8
91.05478	10.7
93.07047	34.4
95.08601	100.0
96.46510	2.4
97.10166	10.2
98.21618	5.9
98.98469	10.7
102.44839	2.5
103.84579	2.9
105.07019	12.8
107.08594	52.6
109.06486	4.1
109.10152	67.4
111.11708	10.7
117.07050	4.2
119.08558	17.2
121.10136	48.3
123.08056	4.6
123.11703	31.8
131.08597	3.8
133.10118	11.2
135.11690	32.7
137.13235	17.9
140.18462	2.9
147.11670	8.3
149.13240	21.2
151.14775	3.7
153.12892	2.8
157.10121	6.0
159.11787	4.2
161.13280	5.6
163.14798	28.6
167.10678	5.6
170.27057	3.0
170.55501	2.9
173.13231	3.5
175.14830	3.4
177.16412	14.5
181.12227	3.7
185.13297	4.0
191.17953	9.2
195.13879	3.7
201.16370	3.9
203.18115	2.7
205.19545	7.0
209.15318	5.5
223.16922	5.0
229.57376	4.3
237.18578	7.7
249.18637	3.7
263.20026	4.0
273.25778	17.4
287.20001	3.4
315.19327	2.6
315.26779	6.5
333.24060	2.6
333.27869	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	9.3
55.05500	15.8
57.03420	5.5
58.15919	4.0
65.03922	7.6
67.05502	51.5
69.03422	13.5
69.07066	40.7
69.80034	13.7
69.80464	15.7
71.04996	22.7
79.05479	17.8
81.03420	12.6
81.07063	26.9
83.04968	17.9
83.08626	5.8
85.02916	13.7
85.06537	10.1
86.01346	4.0
91.05480	28.5
93.07034	36.4
95.04948	34.5
95.08600	100.0
97.02867	6.5
97.06524	31.5
98.98460	39.5
99.04429	7.7
100.49921	4.0
105.07024	17.9
107.04920	8.6
107.08590	17.2
109.06522	18.8
109.10186	7.4
111.08065	6.2
113.06023	11.2
115.05427	6.8
117.07011	7.2
119.08551	26.2
121.06506	13.7
121.10136	12.3
123.04411	9.2
123.08064	73.5
127.03880	7.1
130.06471	5.8
131.08565	10.7
133.10103	11.3
135.08054	12.8
135.11687	13.9
137.05977	21.8
137.09601	18.2
139.07634	5.4
141.05428	9.8
145.10193	6.0
147.08058	6.3
147.11679	12.3
149.08415	4.4
149.09567	10.8
151.07550	8.1
153.01799	5.9
153.12759	6.7
159.08002	6.4
159.11632	5.7
161.09662	7.7
163.07584	4.8
167.07053	18.8
171.13745	5.9
173.13252	7.2
174.67876	5.3
183.07962	6.0
185.09630	5.3
193.12212	7.4
193.15881	22.8
213.09003	4.8
315.19586	7.0
333.20450	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	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56452	1.1
51.91156	1.3
55.05507	1.9
56.96556	1.7
57.03447	1.4
57.07052	1.4
67.05502	4.3
69.07057	1.9
69.72449	8.7
77.00897	1.6
79.05491	5.0
80.19530	1.2
81.07037	6.4
91.05495	3.5
93.07054	4.8
95.04951	1.9
95.08604	5.4
96.94556	1.1
98.98456	13.7
99.54649	1.2
105.07020	6.2
107.08613	6.2
109.06467	1.7
109.10162	4.2
111.08048	1.3
114.27718	1.1
117.27769	1.2
119.08589	5.0
121.06547	1.2
121.10120	3.6
123.08005	1.3
123.11715	2.3
125.00381	1.1
130.02550	1.4
133.10149	3.0
135.11653	2.6
143.08585	1.2
145.10091	1.7
150.91399	1.1
157.10028	1.7
159.11658	1.7
161.13338	1.3
163.14876	1.7
171.11740	2.0
171.49139	1.1
175.14818	1.5
205.95468	1.3
297.22305	1.5
315.19647	1.9
315.23154	2.8
333.20392	100.0
333.24054	6.0
334.20654	2.9
351.19199	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	17.2
53.59325	6.7
55.01857	19.1
55.05496	23.5
56.96543	12.9
57.03419	21.2
57.07076	16.3
67.05492	24.6
69.03428	41.0
69.07053	29.7
71.04989	58.8
71.57835	16.2
73.02899	9.7
79.05474	28.7
81.03403	24.8
81.07030	47.0
83.04976	13.7
83.08604	8.6
85.02894	100.0
85.06529	15.8
87.64989	7.9
91.05452	43.7
93.07043	56.1
95.04961	19.0
95.08595	34.6
96.63148	7.4
97.02876	32.6
97.06511	14.3
98.98471	52.5
99.04442	15.9
99.08095	12.1
100.98904	7.3
103.05466	12.8
105.07037	52.0
107.04956	11.4
107.08592	38.1
109.02850	18.1
109.06511	16.8
109.10155	18.9
115.05412	10.6
117.06982	14.6
119.04931	14.5
119.08582	42.7
121.06474	23.6
121.10073	11.4
122.03596	8.4
123.04427	11.3
123.08063	9.5
125.05963	13.6
127.03899	21.1
129.07037	9.5
131.08571	33.7
133.06522	14.5
133.10153	13.0
135.08038	10.9
135.11682	34.9
137.02316	12.8
137.05972	49.9
137.09654	9.6
143.08560	16.2
145.05002	15.5
145.06476	10.0
145.10117	13.6
147.04395	12.1
147.08041	18.3
147.11601	9.1
149.09639	12.3
153.01765	14.6
153.05434	17.2
153.12770	60.2
157.10144	9.2
159.08080	11.2
161.05952	12.2
161.09598	11.9
165.01796	10.5
165.06934	19.3
165.12753	26.0
167.07077	42.5
167.08275	8.4
171.08040	13.2
171.10095	9.0
171.13873	13.8
173.09680	21.2
173.13271	9.5
179.06966	18.2
181.06476	10.8
181.08575	20.7
183.07980	9.8
189.12762	17.2
193.08566	10.4
198.06792	9.0
211.05984	9.6
213.09119	17.4
213.12798	7.8
226.06213	9.1
243.06503	10.8
245.09171	18.8
252.09415	16.4
259.11884	22.1
273.11230	14.6
291.14496	46.1
301.10745	32.5
302.12436	37.0
318.10974	9.1
333.12955	20.0
333.16699	49.1
333.20438	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	333.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71795	0.4
53.00301	2.3
53.03920	0.4
53.28216	0.3
55.05486	0.5
65.03886	0.4
67.05493	0.4
69.03423	1.0
69.41032	2.2
69.41451	1.3
71.04973	0.5
77.03938	0.8
79.05481	0.8
81.03406	0.9
81.07068	0.4
85.02890	1.0
91.05448	1.2
93.03358	0.5
93.07019	0.7
95.04977	0.8
97.02893	0.6
98.98462	4.5
101.05986	0.5
103.05447	0.8
105.03373	2.7
105.06976	0.5
107.04932	0.8
109.02882	0.8
109.06535	0.7
111.04430	0.5
117.03324	0.5
119.04967	0.5
121.06489	0.6
123.04410	0.7
125.09654	0.4
131.04909	0.5
133.02831	3.7
134.03587	0.8
137.05974	1.0
145.02869	0.6
147.04376	0.7
149.02364	0.6
151.03893	0.8
153.01828	1.4
153.09074	0.5
159.04439	0.6
161.01125	0.7
161.02345	8.3
162.03043	0.9
163.03899	1.5
165.01802	0.5
167.07024	0.5
171.06555	0.5
171.09973	2.9
173.02304	0.6
175.00316	0.4
177.01898	1.1
177.05421	0.5
178.02571	0.5
179.03368	1.9
181.08575	0.5
187.03891	0.5
189.01828	13.4
189.05580	0.6
190.02441	1.6
191.03369	4.3
197.07219	0.5
201.01787	0.4
205.01263	0.8
207.02890	1.2
217.01308	16.9
218.02016	3.8
219.02821	1.1
221.04474	2.2
229.01343	0.5
233.04536	0.5
234.01563	3.3
235.02356	5.9
237.00414	0.4
243.02672	0.6
245.00826	11.1
246.01424	1.5
249.03940	16.6
250.04189	0.8
261.03928	1.6
263.01886	1.6
267.92236	0.4
273.00281	15.7
274.01010	2.2
277.03433	3.7
289.03400	1.5
291.01404	3.5
300.99786	17.3
301.07050	0.6
302.00226	1.2
305.02939	2.8
315.09558	0.6
319.00790	0.9
333.02405	8.4
333.15173	100.0
334.02731	1.0
334.15506	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.079
Annotation	N1-(2-Hydroxyethyl)flurazepam
Peak:m/z	Relative Intensity
56.96555	4.8
61.02901	2.5
69.03410	3.3
69.92323	3.5
69.92744	1.2
71.95335	0.6
81.03413	1.2
85.02911	5.2
97.02882	3.6
98.97568	5.1
98.98452	4.5
101.00872	1.4
110.97565	1.2
114.69041	0.7
115.74167	0.7
116.98624	3.7
119.01897	4.1
127.03921	1.8
128.98610	2.5
131.01859	2.3
133.03433	2.3
134.99654	1.3
145.03476	2.6
146.99651	3.0
150.01712	1.3
155.01872	1.8
157.03545	1.3
158.99602	1.0
159.05069	0.8
161.03003	0.8
161.55605	1.1
162.03732	1.3
162.05386	0.9
169.03494	0.7
171.02661	2.5
171.04146	6.4
173.02928	3.8
174.99220	3.7
175.04628	0.9
177.00682	0.9
177.02289	0.9
177.06111	1.2
179.02148	1.9
185.02887	1.2
185.04361	0.9
189.00784	1.4
193.00153	1.8
197.03140	1.1
201.02499	1.0
203.04024	1.2
205.00145	1.1
207.01619	1.0
213.02458	1.0
217.01929	1.7
219.01711	1.2
221.05110	2.7
223.01215	2.0
237.02637	2.0
243.06261	3.4
245.05046	1.5
255.03772	1.2
285.04590	2.0
303.05573	1.4
315.20468	0.8
322.10510	1.3
333.07922	100.0
333.11465	7.2
334.08536	0.9
341.07193	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
54.04274	0.6
55.01869	1.0
56.96570	2.8
57.03437	3.1
58.03763	0.7
59.04996	0.5
61.02645	0.4
61.02927	5.3
62.03243	0.4
65.03928	1.7
66.04274	0.8
67.05175	0.4
67.05505	5.3
68.05845	1.9
69.03429	12.3
69.05458	0.3
69.96135	1.5
70.03764	4.1
71.01341	0.9
71.04987	1.5
73.02914	4.1
74.03239	0.5
77.03947	0.3
79.05490	2.0
80.05017	0.3
80.05825	1.3
80.06790	0.3
80.66698	0.3
81.03412	3.5
81.04539	0.7
81.05333	0.4
81.05779	0.5
81.07035	1.1
82.03750	1.4
82.06600	0.3
82.07392	0.7
83.01308	0.3
83.04977	0.7
84.96027	0.3
85.02905	15.0
86.03230	3.9
87.04483	2.6
88.04822	0.6
91.03963	0.8
91.05502	0.4
92.05011	0.6
93.05791	1.2
94.06100	0.7
95.04946	0.5
96.08124	1.4
97.02281	0.6
97.02892	7.6
97.03517	0.5
97.08468	1.2
98.03220	2.5
98.20798	0.5
98.97588	2.1
98.98463	1.3
99.04453	1.1
100.04800	0.7
101.02414	0.6
103.03983	0.3
106.06548	5.7
107.06867	4.3
108.08116	100.0
109.02898	1.7
109.07851	3.7
109.08447	95.7
110.03217	1.2
110.97570	0.4
111.07522	0.4
112.02853	0.4
112.99133	1.1
115.02443	0.7
116.98625	1.6
119.01900	2.2
123.05489	0.5
123.06825	4.5
124.07647	17.8
125.07043	0.8
125.07939	16.7
125.22819	0.3
126.02612	0.4
127.03933	2.7
127.04890	0.5
128.04262	1.2
128.98647	0.7
131.00204	0.9
131.01886	1.7
133.03465	1.7
134.06013	13.5
134.99666	1.0
135.03136	0.7
135.06361	16.7
136.06509	0.6
136.07573	11.9
137.07915	14.0
138.08705	0.4
143.01865	0.5
145.01674	0.4
145.03470	1.8
145.04967	1.1
146.05305	0.4
146.99673	0.7
147.05002	0.6
149.01233	0.8
149.02888	0.7
151.05879	0.9
152.07065	62.2
153.01863	1.6
153.07417	73.8
154.08635	1.4
155.01920	1.3
155.08987	1.2
157.03464	0.5
158.14917	0.3
158.99635	0.5
159.05016	0.6
161.01158	0.5
161.03008	0.8
161.05565	0.8
161.55618	0.9
162.05453	0.9
163.02748	0.5
163.04518	0.4
170.06113	0.5
170.08121	8.8
170.55153	0.7
170.56395	0.6
171.04916	0.8
171.06085	1.6
171.08476	11.0
173.02988	1.9
174.99226	0.7
175.02754	0.5
175.04478	0.6
178.04979	0.8
183.05069	0.3
184.04944	0.8
185.02953	0.8
187.04483	0.6
189.00722	0.7
189.02487	0.4
189.04402	0.4
189.06053	0.8
193.03737	0.6
193.05475	0.5
195.05252	0.4
197.02998	0.3
203.04024	0.6
205.00195	0.5
205.03926	0.3
209.02974	0.4
211.04787	0.3
213.06183	0.4
219.01765	0.6
219.07109	0.8
220.07239	0.5
221.05084	2.2
221.06920	0.4
223.04803	0.8
227.04068	0.4
231.07002	0.4
233.34811	0.3
236.94449	0.4
237.02773	1.0
242.57523	0.4
245.05005	0.4
249.06274	0.4
252.08713	0.8
257.05084	2.8
259.06644	0.4
271.04263	0.4
279.09045	0.4
285.04492	0.5
285.08087	0.3
297.11438	0.5
303.05707	0.6
314.12360	0.4
315.12683	65.7
321.10233	0.9
322.10541	1.3
323.10043	0.8
333.07681	4.5
333.11310	36.3
333.13919	43.8
355.09195	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2629
Annotation	Clathrin A
Peak:m/z	Relative Intensity
55.05501	6.0
57.07058	7.0
58.88453	1.4
61.31954	1.4
67.05502	12.2
69.07065	16.5
71.08614	6.2
71.58416	1.5
71.58848	1.7
75.56322	1.5
79.05479	3.8
81.07051	22.0
82.77408	1.4
83.08606	6.9
85.10162	3.3
89.11108	1.7
91.05488	2.2
93.07028	15.3
95.08595	43.2
97.10162	5.0
98.98468	30.2
100.98911	1.7
105.07021	7.0
107.08594	15.3
109.10144	21.7
111.08086	4.0
111.11719	4.8
119.08572	8.1
121.10143	16.3
123.11710	11.5
125.05977	1.6
133.10103	8.0
135.08028	1.6
135.11688	6.2
137.05931	1.8
137.09712	1.7
137.13237	8.5
139.07549	6.4
147.11671	6.7
148.11996	1.5
149.09647	3.9
149.13239	4.1
151.14838	2.9
153.09026	2.0
161.13274	6.5
163.14796	2.1
166.93970	1.4
167.10683	8.3
175.14813	4.7
176.98911	2.2
184.03603	1.6
193.12204	2.5
205.19522	2.8
207.13780	2.9
216.64951	1.5
221.15298	2.9
285.25778	2.6
331.26318	100.0
332.26675	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	332.134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15382	0.6
53.03944	0.7
57.03434	1.1
61.02922	1.9
65.03938	0.9
67.05495	3.0
68.69722	0.7
69.03436	6.7
69.89935	2.9
69.90353	1.4
73.02921	1.6
76.50941	0.6
79.05495	1.2
80.26252	0.6
81.03416	1.9
81.05801	0.7
81.07069	0.8
85.02909	8.1
87.04459	1.8
91.03959	0.6
93.05772	1.0
96.08132	1.0
97.02881	3.0
99.04489	0.7
106.06565	5.0
108.08120	100.0
109.02909	1.5
123.06805	4.4
124.07592	13.7
125.02386	0.5
127.03909	1.6
134.06026	10.8
136.07571	14.0
152.07069	67.1
153.07567	0.7
154.08620	1.3
170.08154	9.6
260.27454	0.7
312.99347	0.6
314.08432	0.7
314.12344	33.7
332.13409	35.3
333.11542	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	332.1339
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
57.03427	1.9
58.11746	0.9
59.29981	0.8
61.02912	1.5
65.03915	1.6
67.05489	3.7
68.75412	0.8
69.03434	5.5
71.02549	1.9
73.02882	2.0
75.38208	0.9
78.32317	0.8
79.05500	1.1
81.03407	2.8
84.59165	0.8
85.02906	7.3
87.04442	1.6
97.02871	1.7
105.10681	0.9
106.06544	4.5
108.08111	100.0
109.02824	0.9
123.06805	5.2
124.07572	14.9
127.03926	1.2
127.08517	0.8
134.06000	11.2
136.07571	16.0
152.07057	66.4
154.08569	1.6
170.08113	9.6
268.92722	1.0
281.82047	1.1
314.12314	41.7
332.13397	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	331.1747
Annotation	Epijasminoside A
Peak:m/z	Relative Intensity
53.03939	3.3
55.05514	3.0
67.05500	19.1
69.03432	10.3
69.07071	4.3
69.43553	2.0
70.89825	6.8
71.04989	4.5
74.30315	2.1
79.05489	15.7
81.03419	6.8
81.07051	47.8
83.04981	7.4
85.02911	16.8
85.06561	4.8
90.68169	2.3
91.05474	18.1
93.07043	7.9
95.04987	11.0
95.08624	7.3
97.02898	6.6
97.06519	3.6
98.98466	100.0
100.98856	3.4
103.12790	2.3
105.07014	13.6
107.04974	2.6
107.08598	8.0
109.06510	22.7
109.10146	12.1
116.99511	5.6
123.11664	3.8
127.03903	2.4
129.07082	2.4
133.10153	8.7
137.05975	27.2
141.09126	3.7
145.04904	2.4
151.07588	5.3
151.11188	4.2
153.01775	6.4
157.06523	3.3
167.10562	2.3
169.01390	3.4
169.12222	42.3
176.98933	5.7
193.12253	3.0
211.07538	3.0
271.09979	3.2
293.26382	2.6
299.09128	2.5
313.14240	3.4
316.01865	2.4
327.14929	2.4
331.11832	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	331.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23518	1.7
53.03934	3.2
55.01859	3.2
55.05482	3.0
56.24650	1.4
63.00056	1.5
65.03915	3.5
66.84735	1.7
67.05505	10.1
69.03419	3.2
69.07034	2.6
69.25390	9.9
69.25816	8.8
79.05489	8.5
81.03409	3.5
81.07056	36.4
85.02898	3.0
91.05482	30.6
93.07044	6.7
94.04149	2.6
95.04984	9.1
95.08603	4.2
97.02901	2.5
98.20719	4.0
98.98466	93.2
100.98865	2.6
103.05463	4.2
105.04387	1.9
105.07026	9.3
107.04960	8.8
107.08561	4.7
109.02898	4.2
109.06503	25.4
109.10152	4.9
111.04449	1.7
111.29388	1.8
115.05455	3.7
116.06181	2.2
116.99487	3.5
117.06986	3.6
119.04951	16.5
119.08559	4.3
121.06515	10.3
121.10155	3.0
122.03667	9.9
123.08095	1.9
123.11747	3.1
127.03817	3.1
128.06223	4.9
129.06981	17.8
131.04900	7.7
131.08559	4.2
133.06435	2.9
133.10211	2.7
134.03603	2.1
135.08047	7.7
136.05171	4.0
137.05980	87.5
141.06966	3.5
141.09103	4.2
142.07675	1.8
143.04900	2.5
143.08565	3.1
145.06491	5.3
145.10117	4.5
146.03651	2.0
147.04359	2.1
147.07990	2.3
147.11681	2.4
149.05984	15.5
149.09578	1.8
151.03949	3.3
151.07541	72.0
152.06181	9.2
153.01849	5.7
153.05649	1.4
153.07007	11.8
154.07796	2.8
155.08510	2.6
157.06508	14.4
161.05988	13.4
161.09636	3.5
163.03844	2.2
163.07536	19.6
165.06989	28.6
165.09146	5.0
166.07750	3.5
167.07077	6.2
167.08572	16.7
168.05688	7.2
169.06471	10.1
169.09981	1.8
171.08023	3.0
174.06781	3.9
174.99170	3.4
175.07495	4.0
176.98926	6.8
177.05518	2.4
177.06958	3.1
177.08984	2.4
178.07825	8.2
179.08530	3.4
179.10880	1.9
180.05753	1.8
181.06494	19.2
181.10187	2.9
182.07327	9.8
183.08115	10.7
183.11609	2.2
184.05237	2.4
185.05956	7.6
187.07578	2.6
189.09113	27.9
192.09378	3.2
193.06497	7.9
193.10132	5.7
194.07286	2.5
195.08084	25.2
196.05215	7.1
196.08789	3.3
197.05963	12.4
197.09659	4.2
198.06754	5.8
199.07565	4.9
199.14615	1.9
200.08339	1.8
203.08572	2.0
205.06529	2.5
207.08067	2.9
207.10095	3.4
209.05980	5.8
209.09595	4.3
210.06741	14.4
211.07527	18.3
212.04776	2.1
212.08301	8.7
213.05515	8.8
213.09059	2.5
214.06331	4.3
215.06999	2.3
221.05939	12.5
221.09494	9.9
223.07550	11.7
224.08386	5.3
225.01833	3.3
225.05505	5.4
225.09093	13.8
226.06297	3.7
227.07130	10.9
227.10643	26.6
228.07797	7.7
230.05746	4.2
235.07654	2.3
237.05388	3.6
237.09213	2.5
238.06267	11.7
238.09927	2.5
239.07040	5.3
240.07800	4.2
241.05038	3.9
241.08542	4.4
243.06497	2.8
243.10179	3.4
249.09087	4.3
252.07867	2.3
253.08598	16.6
253.12207	12.2
255.06584	5.5
255.10158	27.3
256.07397	4.4
257.08090	4.3
267.10211	4.8
269.08096	5.0
269.11624	2.3
270.08698	3.7
271.02411	3.6
271.09631	5.4
272.10428	3.5
273.00540	2.5
273.07535	3.0
281.07983	2.4
281.11673	4.3
285.11298	13.6
287.12762	33.5
299.01910	12.9
299.09195	5.8
300.99878	4.5
313.14362	6.6
316.02081	7.9
316.09140	4.3
318.36926	2.0
331.04700	26.8
331.11734	100.0
331.15234	6.8
331.22656	3.8
332.12100	3.5
354.54697	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70882	1.8
53.03954	1.9
63.86441	1.7
65.03915	2.3
67.05502	9.7
68.86732	1.8
69.03429	5.6
71.21491	4.6
72.78932	1.7
79.05487	11.1
81.07048	45.1
91.05482	31.3
93.07018	4.5
94.04186	4.8
95.04966	6.1
97.02911	1.9
98.98460	100.0
103.05453	5.1
105.07045	6.7
107.04967	10.9
109.02884	2.9
109.06512	31.4
115.05438	3.0
116.99508	4.0
117.07042	3.0
119.04958	17.3
119.08598	2.4
121.06492	6.4
122.03669	9.0
123.08049	2.9
127.03917	4.1
128.06274	3.0
129.06999	13.6
131.04912	5.4
131.08525	2.5
135.08076	7.1
136.05156	2.4
137.05974	90.4
141.06950	2.9
141.09120	4.9
142.07790	2.9
143.04936	2.3
145.06483	5.3
146.07281	2.0
147.04439	3.0
148.05156	2.8
149.05983	15.9
151.03935	1.9
151.07541	72.7
152.06235	4.1
153.01820	4.0
153.07002	5.5
154.07724	2.7
155.08543	3.4
157.06456	9.4
161.05969	14.2
161.09700	3.4
163.07524	16.7
165.06985	16.4
165.09087	3.5
166.07767	2.2
167.07176	3.9
167.08490	13.6
168.05771	2.4
169.06479	2.9
174.06764	4.0
174.99165	3.4
175.07588	4.1
176.98926	5.6
177.06839	2.3
178.07805	5.6
179.08575	2.1
181.05162	2.1
181.06412	9.3
182.07301	5.3
183.08064	6.6
185.05919	3.8
189.09097	25.0
190.05011	2.6
193.06537	5.4
193.10152	7.2
194.07253	2.6
195.08020	17.1
196.05075	2.9
197.05936	9.4
197.09579	3.1
199.07610	2.7
203.08545	2.5
207.10114	3.5
209.05991	3.4
209.09598	3.7
210.06769	8.6
211.07585	9.5
212.08359	5.6
213.05405	4.2
214.06265	3.2
221.06004	7.1
221.09625	8.6
223.07573	9.2
224.08197	3.2
225.01801	4.6
225.05635	3.4
225.09079	13.5
226.06326	2.6
227.06996	7.2
227.10648	21.5
228.00510	4.3
228.07741	3.6
235.07582	2.6
237.05373	2.9
237.09071	3.8
238.06255	7.7
239.07120	3.1
240.07875	3.0
241.08612	4.8
249.09052	6.0
253.01413	4.1
253.08531	11.2
253.12299	12.7
255.06618	3.3
255.07274	3.4
255.10138	26.1
256.07440	3.1
269.08209	4.4
269.11411	2.8
271.02444	8.3
271.09692	2.5
272.10367	6.0
273.00375	3.9
281.11624	4.5
285.08411	3.1
285.11240	18.0
287.12802	25.6
299.01840	20.7
300.99780	5.3
301.14383	3.4
313.14276	7.3
316.02179	8.4
316.09122	3.5
331.00787	4.3
331.04449	34.2
331.11789	34.1
331.15378	2.6
332.04657	2.0
332.12231	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43064	2.7
53.49711	2.5
53.84682	2.6
60.62325	2.6
67.05494	7.1
69.03430	3.0
69.45514	10.0
69.45935	15.1
79.01801	2.5
79.05483	7.9
81.07050	20.0
87.04500	3.0
87.90013	2.7
91.05479	36.0
93.07018	4.1
94.04186	3.4
95.04951	9.9
98.20737	5.2
98.98470	91.2
100.98872	3.7
103.05464	5.7
104.57959	2.7
105.07020	9.8
107.04935	10.2
109.06531	16.7
116.99539	3.7
117.06997	3.4
119.04964	20.9
119.08561	4.2
120.04099	2.5
121.06500	10.6
122.03639	7.9
128.06190	7.0
129.07002	14.6
131.04930	9.1
133.06490	4.0
135.08041	5.3
136.05205	3.6
137.05986	92.5
141.09073	3.5
145.06506	3.4
148.05405	3.7
148.45570	3.2
149.05977	18.1
151.03897	3.7
151.07539	100.0
152.06218	7.4
153.01828	8.5
153.05524	2.9
153.06926	3.9
155.05972	5.0
157.06430	15.3
161.06007	19.0
161.09590	3.4
163.07553	25.9
165.07016	16.2
165.09140	5.2
167.07167	6.6
167.08553	17.0
169.06424	4.7
169.07651	4.6
174.06773	5.7
175.07542	6.0
176.98965	5.6
177.09125	6.1
178.07745	6.0
179.06059	4.7
181.06467	8.1
182.07256	5.1
183.05504	3.5
183.08081	11.0
189.09076	29.9
193.06323	5.0
193.07840	3.1
193.10133	6.1
194.07355	3.7
195.05600	8.0
195.08005	26.0
196.08871	3.2
197.05896	7.2
199.07527	4.5
203.08525	3.8
208.05272	3.3
209.05672	9.3
209.09534	4.0
210.06783	16.1
211.07582	10.9
212.08385	5.2
213.05327	5.3
221.05861	5.6
221.09593	11.8
222.06793	3.1
223.07544	8.3
224.08266	6.9
225.09100	10.4
227.07040	6.3
227.10670	27.8
228.07765	4.3
229.06190	4.3
234.06563	3.5
237.08954	4.7
238.06239	8.6
249.09122	6.7
252.07825	4.7
253.08556	13.3
253.12294	12.1
255.06386	4.6
255.10196	27.2
256.07278	4.7
256.10501	2.8
266.40286	3.4
267.07709	5.8
267.10245	5.2
269.08203	4.8
270.08578	7.9
271.07056	12.6
271.09714	7.4
277.06006	2.9
281.11652	5.3
283.00467	3.2
285.08533	13.3
285.11273	19.0
287.12775	31.3
295.07199	9.5
299.02014	3.5
299.09189	3.3
299.12619	2.9
313.08206	30.1
313.14337	11.8
316.02325	5.3
316.09146	17.7
331.04416	12.1
331.12021	54.8
331.15488	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	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.2
63.26474	2.1
65.03931	2.9
67.05498	5.1
69.07104	2.2
69.62229	16.1
79.05486	7.6
81.03393	2.1
81.07045	10.0
83.95797	2.1
91.05475	39.9
92.48325	2.1
94.04160	3.9
95.04964	9.2
98.21503	2.3
98.98462	35.8
103.05447	6.1
105.07013	7.4
107.04925	11.0
109.06512	8.5
109.10176	2.3
111.04436	2.2
115.05418	4.6
117.07003	2.5
119.04950	20.6
121.06487	6.3
122.03652	7.6
123.04329	2.1
128.06248	4.8
129.06996	18.9
131.04938	6.5
131.08525	4.3
135.04373	3.3
135.08054	5.8
137.05972	93.1
139.07686	2.1
141.07004	2.8
141.09032	2.5
145.06465	5.6
147.04408	2.4
147.07942	2.1
149.05927	15.9
151.03934	3.1
151.07539	100.0
152.06203	4.9
153.06978	5.1
157.06477	16.7
158.07196	3.3
161.05971	20.5
161.09583	3.8
163.07527	24.6
165.07016	24.3
165.09111	5.1
166.07756	6.0
167.07176	4.0
167.08530	23.8
169.06534	6.0
174.06758	9.6
175.07585	4.8
176.98964	3.1
177.06927	2.6
177.09190	3.1
178.07782	6.8
179.10712	2.4
181.06485	12.4
182.07259	9.3
183.08046	4.0
189.09067	34.1
192.09300	2.4
193.06470	7.5
193.10144	9.0
194.07304	5.6
195.08038	32.3
197.05904	11.0
198.06773	2.4
203.08591	4.8
205.06607	2.7
207.08083	3.3
207.10124	8.9
209.05898	6.8
209.09621	4.6
210.06786	14.0
211.07535	10.6
212.08333	10.0
213.05518	2.2
214.06253	2.9
220.09006	3.6
221.06026	10.2
221.09544	12.6
223.07516	16.6
224.08289	6.5
225.05498	2.3
225.09026	16.8
226.06308	2.3
227.07008	6.5
227.10628	30.0
234.06802	3.5
237.05435	3.7
237.09071	4.2
238.06201	8.1
238.09973	3.2
239.07004	6.6
240.07820	4.8
241.08545	4.7
249.09100	9.1
252.07843	3.2
253.08607	20.7
253.12248	20.6
255.06509	4.4
255.10132	35.9
256.07382	2.2
263.10617	2.7
267.10110	7.7
269.08112	7.7
269.11615	3.2
270.08786	2.7
271.09464	3.5
272.10397	5.0
281.11646	5.8
285.11252	19.5
286.11395	2.4
287.12787	35.8
299.01996	2.8
299.05310	2.1
313.14398	12.2
316.08893	2.7
331.04361	4.0
331.08035	3.6
331.11786	40.5
331.15436	4.8
332.12180	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	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
61.19316	1.7
67.05493	5.5
68.49127	1.8
69.03398	2.4
69.70777	1.7
70.56160	3.6
70.56558	3.8
72.98873	1.8
79.05492	8.2
81.03425	3.5
81.07054	23.6
83.38063	2.2
85.02898	2.8
91.04967	3.0
91.05482	33.4
94.04174	3.7
95.04951	8.1
96.88440	1.8
98.98466	62.5
103.05458	5.5
105.07020	6.6
107.04939	7.7
109.02901	2.5
109.06514	20.4
115.05437	3.9
116.99562	2.4
117.07016	2.1
119.04930	19.6
121.06510	7.7
122.03654	10.0
128.06224	5.6
129.06999	13.5
130.19380	1.9
131.04919	4.0
133.06503	3.4
135.08041	3.7
136.05170	4.8
137.05975	91.0
145.06467	3.8
146.03630	2.3
146.07147	1.9
149.05997	11.4
151.03940	3.6
151.07542	78.1
152.06190	4.8
153.01845	2.8
153.07016	3.0
157.06476	9.9
158.07259	2.2
159.04411	3.3
161.05974	13.5
161.09593	3.9
163.07562	19.9
165.06992	12.1
165.09090	4.8
166.07805	2.9
167.08542	15.5
168.05708	2.3
169.01366	4.1
169.06422	2.0
169.08784	2.2
173.07173	1.7
173.49120	2.0
174.06812	7.4
174.99359	2.3
175.07500	3.4
176.98848	4.7
177.09135	3.0
178.07787	6.8
179.08560	3.1
181.06465	3.2
181.10083	2.0
182.07225	4.8
189.09091	26.3
191.08571	2.6
193.06505	6.7
193.10133	6.7
195.08073	20.7
197.06030	6.3
197.09605	3.3
202.84972	1.8
203.08618	2.0
206.07260	2.2
207.10141	2.9
209.06000	2.9
209.09708	4.6
210.06819	9.3
211.07579	3.1
212.08295	4.7
217.01295	2.6
221.06003	10.0
221.09583	9.1
223.07510	9.9
224.08313	3.4
225.01807	13.4
225.05469	2.0
225.09094	9.9
227.07037	3.1
227.10628	25.3
228.00533	12.6
237.05487	2.2
237.09135	3.2
238.06276	3.8
238.09633	2.6
239.06964	2.7
240.07858	3.8
241.12119	2.1
245.00793	4.5
249.09113	5.0
252.07657	2.2
253.01480	11.2
253.08643	15.9
253.12154	14.5
255.10161	26.4
255.99988	2.4
267.10168	5.3
269.08176	4.5
269.11392	2.1
271.02365	24.7
272.10471	4.3
273.00314	12.0
281.11734	5.0
283.99545	9.3
285.11240	15.7
287.12781	28.5
298.11884	2.6
299.01877	53.3
299.09167	2.0
300.02396	4.8
300.99774	17.5
313.14276	8.5
316.02094	34.3
331.04477	100.0
331.11545	4.5
331.17349	59.7
332.04715	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	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74632	2.7
68.09225	3.0
71.13175	7.2
79.05481	4.2
81.07055	9.4
82.84240	3.7
85.02888	3.2
91.05483	35.3
94.04174	5.5
95.04964	8.1
98.98468	37.7
103.05451	5.3
107.04933	9.5
109.06501	12.2
117.07073	3.5
119.04942	19.7
121.06509	9.0
122.03632	10.4
128.06232	6.2
129.07010	18.5
130.32149	3.5
131.04906	6.4
135.08061	5.4
136.05159	3.5
137.05974	100.0
149.06023	15.1
151.06282	4.9
151.07532	95.7
152.06219	6.5
153.07004	3.6
155.06065	4.5
157.06522	15.0
161.05963	15.6
161.09604	4.9
163.07573	20.8
165.06984	16.7
165.09204	5.0
167.08545	19.3
168.05676	3.4
174.06747	7.2
175.07599	4.3
177.06868	3.7
178.07796	6.7
181.06438	8.2
182.07333	6.3
189.09056	37.7
193.06400	5.6
193.10133	7.1
194.30321	3.1
195.05531	4.8
195.06381	3.1
195.08067	28.8
197.05925	6.0
197.09477	3.3
205.06320	4.3
206.07262	3.7
207.10043	5.8
209.05847	7.8
209.09491	3.4
210.06754	15.6
211.07541	7.5
212.08267	7.3
213.06584	3.9
221.06052	10.4
221.09621	10.8
223.07555	12.8
224.08394	4.5
225.09097	14.3
227.07027	7.0
227.10645	30.1
237.05338	3.7
237.08995	5.5
238.06363	6.5
239.07246	3.2
239.10753	3.9
240.07979	6.7
249.09157	9.1
253.08665	17.7
253.12228	20.9
255.06511	4.4
255.07645	3.2
255.10201	30.8
269.08072	4.8
270.08505	3.9
271.02393	5.8
271.07080	4.9
272.10394	4.4
281.11664	5.5
285.08566	6.2
285.11182	19.2
287.12802	38.8
295.07135	3.5
299.01938	8.5
299.09201	3.2
313.08075	12.7
313.14371	12.4
316.02118	8.5
316.09125	6.3
331.04639	24.4
331.08325	5.1
331.12115	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	331.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18267	1.5
53.03920	2.1
65.03928	3.0
67.05482	4.9
69.03426	3.5
69.07041	1.8
69.38480	14.8
79.05482	10.5
81.03429	2.4
81.07050	25.3
83.04990	2.7
85.02882	2.5
91.05476	33.0
91.86126	1.7
93.07024	3.1
94.04182	3.6
95.04972	8.9
95.08563	1.8
98.98463	80.6
100.98921	2.0
103.05455	6.4
105.07040	4.6
107.04930	7.8
109.02867	2.5
109.06528	18.7
109.37725	1.5
111.04382	2.9
114.96008	1.7
115.05437	4.5
116.99496	4.1
117.07008	2.1
119.04941	21.1
119.08597	3.0
121.06518	8.0
122.03619	8.9
123.04437	2.2
123.11615	1.9
127.03893	1.6
128.06218	5.8
129.07001	19.1
129.71295	1.6
131.04877	8.8
131.08543	3.7
133.06493	2.7
135.08002	4.1
136.05188	4.1
137.05974	100.0
141.07019	4.5
141.09096	3.6
143.04878	2.6
143.08554	2.2
145.06493	3.3
147.08113	2.9
149.05983	17.0
151.03926	4.7
151.07539	98.6
152.06233	6.0
153.01805	2.7
153.06998	6.3
154.07683	2.0
155.08534	2.1
157.06494	17.9
159.08060	2.1
160.05235	1.8
161.05986	12.9
161.09581	4.6
163.03859	2.2
163.07529	20.2
165.05574	2.7
165.06978	21.3
165.09126	5.7
166.07742	2.9
167.07155	2.4
167.08508	19.4
168.05666	4.6
169.06578	3.1
169.08624	2.3
170.07245	2.1
174.06741	7.1
174.99220	3.3
175.07533	5.0
176.98911	6.7
177.07013	2.2
177.09132	3.0
178.07793	7.8
179.08476	4.2
181.06531	10.9
182.07236	7.3
183.08073	4.7
184.08810	2.4
185.05988	2.7
185.09586	2.1
189.09094	29.7
192.09369	2.4
193.06450	9.8
193.10144	9.6
194.07268	4.1
195.08028	25.2
196.05089	2.5
197.05902	8.4
197.09636	2.8
198.06610	2.0
199.07524	2.1
202.07704	1.9
203.08522	3.8
207.08127	2.3
207.10080	3.5
209.05981	8.1
209.09590	3.7
210.06746	13.1
211.07478	10.4
212.08247	8.5
213.05496	3.5
220.08760	3.6
221.05931	10.2
221.09489	8.5
223.07536	12.8
224.08244	4.8
225.05470	3.0
225.09079	10.4
227.07027	6.2
227.10641	30.4
228.07722	2.4
229.08745	1.7
237.05328	2.5
237.09160	3.5
238.06288	8.4
239.07002	4.8
240.07788	4.2
241.04857	3.2
241.08655	4.1
241.12151	2.5
243.06403	2.2
243.10054	3.2
249.09152	4.7
252.07800	3.1
253.08627	15.4
253.12210	18.4
255.06541	4.1
255.10184	31.7
256.07394	2.8
267.10049	3.2
269.08066	5.0
269.11194	1.9
271.02383	3.7
271.09653	6.0
272.10471	5.0
281.11493	4.5
285.11139	19.6
287.12732	36.1
288.09952	2.9
288.13000	3.0
299.01819	6.9
299.09085	5.4
313.07407	2.7
313.14304	10.2
313.17651	2.0
316.02020	5.4
316.05588	2.3
316.09229	3.8
331.04529	13.1
331.07916	3.2
331.11755	47.6
331.15326	4.1
332.12094	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
55.01869	2.6
65.03926	3.7
67.05500	18.5
69.03428	7.6
69.60973	13.0
70.06591	4.6
79.05487	21.8
81.03419	5.8
81.07056	96.2
83.04995	2.8
85.02910	5.8
91.05482	22.9
93.07053	2.7
94.01762	1.6
94.04196	2.2
95.04991	2.8
97.02902	4.2
98.98466	89.6
100.98863	2.6
103.05464	3.0
105.07050	4.1
107.04935	7.8
109.02887	10.1
109.06518	71.1
111.04380	2.1
115.05460	1.8
116.99454	2.9
117.07028	1.9
117.36387	2.0
119.04927	10.3
121.06503	5.0
122.02769	2.1
122.03635	3.6
123.08033	2.7
124.07542	2.2
127.03897	5.7
128.06221	3.9
129.06985	9.0
131.04916	5.9
131.08575	2.1
133.06537	2.2
135.08061	5.0
136.05127	2.2
137.05975	100.0
141.09111	17.3
145.06537	3.5
147.04410	1.9
149.05975	6.9
151.03931	7.9
151.07542	50.4
152.06206	3.3
153.01820	2.6
157.06517	6.8
161.05920	8.3
161.09602	3.7
162.05603	2.0
163.07533	13.7
165.07025	9.2
165.09105	2.2
166.07701	2.2
167.07173	2.1
167.08559	8.7
169.08594	6.6
173.06015	1.9
174.06732	4.0
174.99260	3.1
175.07555	2.8
176.98952	4.7
177.09135	2.7
178.07800	3.3
181.06480	2.6
181.08667	2.4
182.07285	4.5
183.07979	2.1
188.07021	2.5
189.09114	17.5
193.06508	5.1
193.10170	5.2
194.07254	2.8
195.08023	13.4
197.05960	5.8
197.72667	1.8
203.08463	1.9
207.06439	2.2
207.10262	2.6
209.05928	2.2
210.06836	6.0
211.07526	4.0
212.08234	2.6
221.06006	6.3
221.09586	7.8
223.07591	8.2
224.08266	3.2
225.09082	6.5
227.10707	16.7
238.06274	3.3
240.07762	2.8
241.08679	1.8
242.09200	1.9
249.09108	4.8
253.08633	10.1
253.12276	9.7
255.10187	15.8
267.10101	4.7
269.08188	3.5
272.10315	2.1
281.11548	3.5
285.11292	12.3
287.12756	19.6
313.14368	6.1
331.11630	5.2
331.15262	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31283	7.5
79.05515	6.6
81.07043	9.4
91.05466	40.4
94.04164	5.4
95.04967	8.2
98.98444	15.8
103.05465	6.4
106.67503	3.8
107.04933	10.6
109.06525	12.0
119.04932	16.2
121.06472	7.5
122.03654	8.5
128.06293	5.3
129.06999	15.9
131.04913	4.6
135.08006	8.6
136.05173	5.8
137.05975	93.1
145.06432	6.2
149.05972	11.0
151.06314	5.2
151.07533	100.0
152.06273	5.5
157.06490	8.2
161.05977	16.0
163.07565	21.6
165.06969	16.9
165.09137	5.3
166.07687	4.5
167.08559	19.2
174.06810	8.7
175.07539	3.9
181.06482	10.4
181.10106	4.5
185.65471	4.3
189.09128	36.4
193.06456	5.6
193.10095	9.7
194.07286	6.6
195.08063	31.3
197.05942	8.0
197.09508	4.6
207.10107	5.8
209.09647	5.7
210.06735	14.3
211.07480	7.4
212.08359	8.2
221.05925	10.5
221.09590	13.2
223.07593	15.6
225.09100	7.3
227.10655	32.9
238.06161	12.5
249.09006	6.3
253.08609	17.6
253.12222	14.5
255.10184	31.7
267.10266	6.8
281.11823	7.4
285.11157	17.6
287.12762	41.1
313.14349	13.4
313.17908	4.3
346.23810	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	331.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.9
55.05494	1.7
55.26043	1.6
67.05493	13.9
69.03413	4.7
69.92367	10.6
79.05482	16.9
81.03407	5.0
81.06585	3.5
81.07052	69.2
85.02882	4.1
86.09669	2.1
91.05480	21.0
93.07071	2.0
94.04146	2.4
95.04945	6.4
97.02896	2.7
98.98462	80.5
103.05438	5.6
105.07026	5.2
106.06539	4.9
107.04951	11.8
108.04489	3.1
109.02888	9.2
109.05802	3.0
109.06520	49.7
111.04418	2.7
113.68517	1.8
116.99474	3.9
119.04928	6.0
121.06491	7.1
122.03634	4.8
122.05991	3.3
123.08083	1.7
124.07558	13.8
127.03924	4.3
128.06163	3.6
129.06969	11.3
131.04936	3.4
133.06491	2.7
135.08025	5.7
137.05972	89.0
141.09074	12.6
144.08180	1.7
149.05937	10.1
151.03891	4.8
151.07538	45.9
153.01804	3.1
153.07095	2.0
153.74400	1.8
157.06476	3.7
161.05945	18.2
161.07059	2.5
161.09590	4.8
162.05437	9.1
163.07533	14.5
164.06918	2.8
165.07027	9.6
165.09100	2.8
167.08565	8.9
168.06631	2.2
169.08514	8.5
170.08124	2.1
174.06761	4.4
176.98959	6.1
177.64279	2.2
178.07701	2.8
181.06500	3.9
181.08640	2.4
182.07208	2.7
185.04135	3.2
187.08655	3.7
189.06563	8.4
189.09088	20.4
193.06534	4.7
193.10194	3.2
194.07225	2.2
195.08029	13.9
201.10188	5.5
203.08205	4.0
207.10204	5.6
210.06770	5.9
211.07526	5.3
212.08379	2.6
215.08199	13.2
215.11719	5.6
221.05959	2.7
221.09648	5.1
223.07520	5.5
224.08269	2.5
225.08971	4.8
226.06291	2.0
227.10637	14.4
229.09767	11.9
229.13289	4.2
238.06339	3.9
239.07077	2.5
239.11707	2.8
241.09834	2.3
243.07620	2.5
243.11267	6.9
248.16476	2.0
249.08931	2.0
253.08612	7.4
253.12224	4.8
255.06670	2.1
255.10162	13.8
257.09244	10.1
257.12891	7.2
267.11005	5.6
269.08066	2.1
271.10458	6.3
272.10553	2.7
275.13882	4.5
281.11966	2.2
285.11816	16.0
287.12802	18.0
295.10764	3.5
303.13290	4.9
313.11636	19.7
331.13046	100.0
331.17380	6.8
332.13443	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	331.154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.7
55.05506	3.0
65.03929	2.6
67.05498	11.1
69.03434	5.2
70.56518	8.3
79.05488	13.6
81.03410	4.9
81.07055	38.3
83.04987	2.8
85.02882	1.9
91.05476	27.4
93.07054	8.4
94.06583	3.3
95.04970	7.1
95.08597	16.3
97.02895	5.6
98.98463	54.2
98.99113	2.8
103.05459	4.8
103.46263	2.1
105.07054	8.3
106.06596	3.4
107.04967	7.6
107.08616	2.4
108.04517	4.4
109.02840	4.0
109.06519	29.7
119.04961	6.7
119.08585	4.5
121.06525	9.8
121.10162	2.4
122.03619	4.1
122.06024	3.8
123.08042	17.8
127.03932	2.6
128.06256	3.0
129.07008	8.6
129.61372	1.9
131.04909	3.5
133.10165	3.2
134.05986	2.1
135.08043	6.2
136.03935	3.0
137.05974	70.5
141.09088	7.0
143.08560	2.3
145.06474	4.8
145.10196	3.8
147.07935	2.0
149.05989	7.7
151.03923	3.8
151.07541	47.1
151.11040	2.4
153.01836	17.2
153.07063	3.8
157.06500	9.8
161.05977	5.7
161.09608	3.8
162.05545	8.0
163.07553	9.2
164.07011	3.7
165.06990	12.5
165.09161	6.2
167.07155	3.8
167.08571	8.1
169.06462	4.4
169.08762	2.7
174.06903	2.3
175.07568	3.5
175.11281	2.3
176.98856	3.1
177.05492	2.6
177.09152	2.8
178.07840	2.3
179.08572	2.5
181.06512	5.9
181.08714	2.4
182.07358	5.0
183.05734	2.2
183.07999	3.7
189.06570	12.1
189.09062	15.8
193.06601	3.1
193.12184	2.9
195.08037	10.9
196.05203	2.7
197.05957	3.8
201.10243	6.5
203.08205	4.8
207.10220	3.4
210.06810	6.1
211.07501	4.9
213.10385	3.7
215.08195	12.7
215.11870	5.0
221.05965	6.6
221.09697	5.6
223.07541	4.6
225.05702	3.5
225.09239	4.9
227.06972	4.3
227.10611	11.5
229.09776	13.1
237.09108	3.2
238.06537	2.7
239.07001	3.7
241.09610	3.0
243.11224	7.1
253.01323	3.1
253.08678	7.0
253.12265	7.0
255.10054	12.1
257.09256	9.0
257.12817	7.0
267.11133	6.4
269.08273	3.1
271.02417	4.4
271.10617	8.6
281.11652	3.3
285.08685	3.9
285.12091	15.5
287.12823	14.4
295.10843	4.5
299.01682	9.7
299.12613	3.8
303.13287	5.0
313.07916	7.8
313.11923	22.4
313.17758	3.2
316.02216	5.1
331.04654	19.7
331.12717	100.0
331.19226	5.6
332.13040	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	331.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07489	1.5
53.03933	4.2
53.31060	1.7
55.01867	2.4
55.05493	2.5
57.77914	1.5
65.03941	2.3
67.05505	20.9
69.03444	3.8
69.07058	3.2
70.48750	5.8
71.04970	2.0
79.05497	19.7
81.03432	7.9
81.07053	94.2
83.04991	2.0
85.02869	4.1
85.06525	1.7
86.65694	1.6
91.05483	15.0
93.07024	5.9
95.04951	5.7
95.08604	3.3
97.02874	2.8
98.21478	1.9
98.98464	100.0
100.98843	2.1
103.05486	3.3
105.07035	6.4
107.04947	3.7
107.08581	4.6
109.02861	6.5
109.06509	66.8
109.10151	3.2
115.05448	2.6
116.99474	5.2
119.04941	3.1
119.08574	3.6
121.06528	2.0
121.10145	2.8
122.03621	2.2
122.48515	1.9
123.04395	1.8
123.08010	2.6
123.11726	3.3
124.05225	1.8
127.03915	5.9
128.06168	1.7
129.06953	4.9
131.04924	3.2
131.08469	3.2
133.02885	2.2
133.06458	2.0
133.10112	2.6
135.04344	2.1
135.08057	2.2
137.05978	89.8
141.06990	3.2
141.09099	19.4
143.08556	1.9
145.06502	2.4
145.10132	4.2
147.04385	2.2
147.11691	2.9
149.05966	6.8
149.09616	2.0
151.03844	3.3
151.07520	14.7
151.11145	1.6
152.06189	6.1
153.05461	1.7
153.06999	8.0
154.07692	1.8
155.08511	4.6
157.06468	6.2
159.11627	2.0
161.05978	3.5
161.09554	2.9
163.07521	3.7
165.07008	14.1
167.07018	5.7
167.08450	2.6
168.05695	8.4
169.06496	5.7
169.08553	5.8
174.99239	4.4
175.07584	1.9
176.98929	5.8
177.05521	2.5
178.07706	2.0
179.08511	2.6
181.06473	11.3
182.07274	8.1
183.08058	10.5
185.05959	6.5
189.09041	4.7
193.06447	3.6
194.07272	2.8
195.08063	6.3
196.05214	6.1
197.06041	9.5
198.06718	4.9
199.07529	3.3
207.04471	1.9
208.05170	2.3
209.05815	5.4
210.06749	6.9
211.07571	11.8
212.04619	2.2
212.08284	4.9
213.05402	7.6
213.08965	2.6
214.06204	3.5
215.06848	1.6
220.09218	1.7
221.06047	2.8
223.07541	3.2
225.01768	2.6
225.05493	4.3
225.09065	6.9
226.06209	3.5
227.07014	5.1
227.10675	3.3
228.07773	6.7
230.05640	4.0
237.05437	2.0
238.06210	7.5
239.06967	5.4
241.04915	4.4
241.08598	1.9
242.05748	3.4
243.06602	2.0
243.10213	4.7
253.04813	3.4
253.08620	8.3
253.12224	2.0
255.06482	5.6
255.10121	3.2
256.07309	4.7
257.08072	4.4
266.06006	2.0
270.08621	2.9
271.02338	4.6
271.09656	9.1
272.10367	2.9
273.00241	1.8
273.07501	3.5
281.11368	1.9
285.07700	2.0
285.11151	3.9
287.12744	5.0
288.09937	3.0
295.16794	2.0
299.01910	7.7
299.09180	5.4
300.99838	2.2
303.12271	2.0
313.07248	2.6
313.14102	3.3
316.02042	4.8
316.09119	5.9
331.04666	22.9
331.11719	99.3
332.11935	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81645	0.9
52.58746	0.9
52.61975	0.8
53.03945	1.8
55.01877	1.8
55.05507	1.1
57.03418	1.4
62.28278	1.0
65.03925	1.3
67.05503	9.7
69.03429	4.4
69.07063	3.2
70.79167	0.9
71.05009	1.1
71.57272	1.8
74.60903	1.0
79.05494	14.3
81.03407	4.2
81.07053	75.1
85.02895	3.5
91.05473	6.3
93.07043	2.0
95.04972	2.2
95.08589	1.6
97.02901	3.4
97.06512	1.3
98.98459	100.0
100.98887	2.0
105.07032	2.3
107.04945	2.0
107.08543	1.2
109.02878	4.7
109.06511	59.6
109.10139	2.1
111.08067	2.6
116.98786	1.1
116.99473	5.7
119.04935	2.5
119.08611	1.3
121.02905	2.1
121.06504	2.2
123.08078	1.7
127.03917	5.6
129.07025	1.3
133.06494	1.4
133.10123	1.2
137.05969	53.1
140.81360	1.1
141.07028	0.9
141.09082	10.8
145.06546	1.4
145.10127	1.1
147.04350	2.4
149.05981	1.7
151.07576	6.3
151.11200	1.8
153.01842	5.7
155.06064	1.2
157.06529	1.3
157.10086	1.2
161.05978	1.7
161.09602	1.1
165.07019	2.9
167.07164	1.3
167.08546	1.6
169.01361	1.2
169.07411	1.2
169.08739	5.3
174.99240	3.1
176.98943	7.0
179.05992	1.7
181.06494	2.6
183.08104	2.0
185.05846	1.3
185.13268	1.0
189.09128	2.6
193.10159	1.4
195.05553	3.8
195.08086	1.3
197.07161	1.5
210.06873	1.0
211.07570	2.3
221.07054	2.8
225.06607	1.8
225.09166	1.2
227.06868	1.0
227.10640	1.7
229.06038	2.1
239.08107	2.2
241.04826	0.9
243.07014	1.4
253.08545	1.2
253.12440	1.0
255.10266	1.3
265.06125	1.1
267.07465	1.1
271.02478	3.1
271.07135	4.7
271.09671	1.7
285.08658	6.4
285.11441	1.7
287.05447	1.0
287.12787	2.9
288.06122	1.0
295.07129	3.1
299.01727	5.1
300.99786	1.1
301.28979	1.0
313.08118	11.4
314.07642	0.9
316.02057	2.4
323.66589	1.0
331.04437	9.7
331.12091	13.7
331.17325	3.3
332.04666	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	2.5
55.05502	3.6
57.46477	1.2
60.15573	1.2
65.03923	2.0
66.90705	1.4
67.05495	13.3
69.03409	4.4
69.07060	2.5
70.09141	1.2
79.05483	15.4
81.03399	4.9
81.07053	65.3
85.02898	5.6
88.22478	1.4
91.05478	11.6
93.07029	6.6
95.04953	4.0
95.08589	4.6
97.02909	1.6
97.06535	1.8
97.10183	2.1
98.21600	2.5
98.98463	76.7
99.04417	1.7
100.98876	1.8
103.05413	2.3
105.07027	5.6
107.04937	3.8
107.08578	3.3
109.02873	4.2
109.06514	51.1
109.10164	2.7
111.04437	1.3
113.38516	1.4
115.05480	1.4
116.99464	4.1
117.03345	1.4
117.07032	2.9
119.04961	3.2
119.08566	3.8
121.06490	4.7
122.03634	1.9
123.04390	2.1
123.08037	2.8
123.11655	1.9
125.09680	1.4
127.03916	3.5
128.06174	1.7
129.06998	4.8
131.04875	1.6
131.08582	1.7
133.10149	2.5
134.03638	2.0
135.08104	1.7
137.05975	57.9
141.06990	3.2
141.09076	9.9
143.08513	1.7
145.06459	1.6
145.10106	2.3
147.04431	2.1
147.11713	1.7
149.05977	3.9
149.13318	1.6
151.07507	8.9
152.06213	4.7
153.01828	8.7
153.05682	1.2
153.07021	7.5
154.07780	2.2
155.08516	2.9
156.05669	1.4
157.06464	7.4
158.07167	1.8
159.11697	3.4
161.05971	3.4
161.09615	1.6
161.13168	1.5
163.07585	2.0
165.06998	13.7
167.04893	1.9
167.07027	6.2
167.08524	3.5
168.04472	1.3
168.05710	8.3
169.06465	6.5
169.08603	5.0
169.09909	1.7
170.07214	1.8
171.07964	1.6
171.11652	2.3
174.99333	2.4
175.07500	1.5
176.98878	3.6
179.07060	1.3
179.08623	1.4
181.05092	1.9
181.06456	11.2
182.07242	5.5
183.08034	10.6
184.05193	1.8
185.05988	6.7
185.13387	1.4
189.09035	2.0
189.12653	2.0
193.06454	3.3
195.08075	4.8
196.05164	4.8
197.05939	8.9
197.09650	2.1
197.13177	1.6
198.06746	3.3
199.07506	5.7
208.05232	2.5
209.05937	5.6
210.06787	7.1
211.07504	14.8
212.04614	2.5
212.08276	1.9
213.05478	8.6
213.09023	2.5
214.06226	4.1
215.07027	2.1
221.05914	2.7
223.07484	3.5
224.04701	1.7
225.01869	2.6
225.05473	4.2
225.09065	5.2
226.06190	2.8
227.07025	6.6
227.10674	3.3
228.00500	3.2
228.07755	5.2
229.08681	2.0
229.53189	1.6
230.05756	4.0
237.05429	2.3
238.06290	5.1
239.07039	6.6
240.07719	1.5
241.04886	4.1
241.08513	2.6
242.05894	2.3
243.10164	4.4
245.00845	1.8
245.08173	2.2
253.04962	1.9
253.08569	7.1
255.06496	4.9
255.10172	2.9
256.00052	1.4
256.07364	4.2
257.08047	2.9
266.05685	1.8
267.06638	1.6
269.08124	2.1
270.08984	1.9
271.02289	5.7
271.09647	8.5
272.10257	4.4
273.00406	1.7
273.07620	2.8
281.04584	1.5
285.07748	2.5
285.10962	2.9
287.12732	2.1
288.09903	2.9
299.01978	11.9
299.09076	5.4
300.99762	5.9
303.12466	2.3
313.07104	3.2
313.10559	2.7
313.18027	1.7
316.02127	5.8
316.09280	5.1
330.70325	1.3
331.00739	3.0
331.04654	24.0
331.11728	100.0
331.18542	3.8
331.22446	2.2
332.04849	2.6
332.12192	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	331.1286
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
53.03944	1.6
54.42544	1.4
55.01863	5.6
55.05494	2.4
65.03920	2.0
67.05501	13.0
69.03429	4.7
69.07058	1.8
69.76658	3.1
69.77071	8.3
74.70064	1.4
78.27203	1.4
79.05489	13.7
81.07051	32.2
85.02879	1.6
86.42992	1.6
91.05477	23.0
93.07041	8.8
94.04186	2.7
94.06592	3.3
95.04972	10.1
95.08607	15.8
97.02892	3.8
98.98463	61.2
103.05463	3.4
105.07040	5.8
106.06577	2.6
107.04973	6.4
107.05679	1.5
107.08620	2.5
108.04498	4.5
109.02847	3.9
109.06515	28.6
109.10159	1.8
115.05470	2.9
116.99536	3.0
117.07026	3.2
119.04977	8.2
119.08603	4.7
120.04436	2.1
121.06490	8.8
122.03661	2.3
122.06017	3.1
123.04476	3.0
123.08065	13.0
123.11731	1.7
124.07606	1.4
127.03971	1.9
128.06219	3.5
129.06964	7.4
130.04315	1.5
131.04945	3.2
131.08635	4.2
133.02945	1.6
133.06519	1.8
133.10120	2.9
134.05968	2.6
135.08061	3.5
136.03976	3.5
136.05194	2.4
136.47681	1.5
137.05975	66.8
137.09598	2.1
141.09125	4.8
143.08522	3.1
145.06451	2.8
145.10121	3.5
148.05267	1.6
148.07562	2.1
149.05962	8.2
151.03922	4.2
151.07527	37.5
151.08670	2.7
151.11197	2.3
152.06233	2.6
153.01810	22.0
153.07021	3.9
154.07764	2.1
157.06464	7.6
158.09807	1.7
159.08005	3.0
161.06010	6.0
161.09645	4.8
162.05501	11.1
163.07529	9.6
164.07057	3.0
165.06960	9.2
166.07748	2.1
167.07088	4.6
167.08597	8.1
168.05611	2.6
169.06458	3.8
169.08766	2.0
169.10081	2.6
174.99251	2.7
175.11238	2.5
176.07083	2.0
176.98958	3.7
177.09081	2.6
178.07710	3.4
179.08621	2.4
181.06541	4.8
181.08664	4.0
182.07256	3.4
183.08012	2.2
187.08734	5.3
189.06659	8.2
189.09108	13.0
193.10158	4.6
195.08069	12.3
197.05962	3.7
200.09383	2.2
201.10275	7.5
203.08215	3.4
207.02882	2.9
207.10126	1.9
209.05914	2.5
210.06795	6.6
211.07434	5.0
212.08350	2.6
212.10918	1.7
213.10437	2.0
215.08214	11.5
215.11787	4.4
221.06067	5.0
221.09560	3.8
223.07579	4.4
225.09138	4.9
227.10480	9.0
229.06281	2.3
229.09732	14.5
229.13274	2.0
230.05673	2.5
238.06310	4.3
241.04947	2.1
241.08450	2.3
243.07774	2.5
243.11421	8.0
249.09196	2.3
253.08437	7.9
253.12442	3.8
255.06470	2.3
255.10182	10.5
257.09302	11.6
257.12903	5.8
267.10965	4.9
269.08246	2.1
271.02429	3.7
271.10706	6.6
271.13428	2.1
272.10373	1.9
273.00214	2.0
275.13983	4.0
281.08182	2.4
281.11658	2.8
285.11984	14.4
287.12778	16.6
295.10645	4.6
299.01892	5.4
299.09076	3.3
299.12708	2.4
300.99869	2.8
303.13409	6.0
313.07843	6.4
313.11847	20.8
313.17801	2.9
316.02249	5.0
331.04663	17.4
331.12778	100.0
331.19122	4.1
332.13089	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	331.0447
Annotation	3,3'-di-O-Methylellagic acid
Peak:m/z	Relative Intensity
52.08965	0.7
56.96563	1.3
60.53981	0.6
65.03925	0.8
67.05508	3.5
69.03424	1.3
69.07059	0.7
71.04978	0.7
71.58052	0.6
79.05480	3.3
81.03406	1.8
81.07055	15.4
85.02895	0.7
91.05486	5.1
93.07039	1.7
95.04970	1.1
95.08643	1.5
97.02898	0.6
98.98466	41.0
103.05440	1.2
105.07014	3.4
107.04945	2.4
107.08625	1.3
109.02856	1.4
109.06518	9.4
109.10153	1.4
111.04446	0.6
115.05472	1.1
116.98672	1.4
116.99499	2.4
117.07091	0.8
119.04950	1.4
119.08569	2.2
121.06503	2.0
121.10148	1.6
123.04472	0.9
123.08078	1.0
123.11721	2.1
125.06004	0.7
127.03912	0.8
128.06248	1.0
129.07036	1.7
131.04941	2.6
131.08560	1.0
133.06488	0.9
133.10135	1.7
135.04364	0.8
135.08058	0.9
135.11638	0.9
137.02359	1.3
137.05966	15.6
140.01067	0.7
141.03313	0.7
141.07005	1.1
141.09100	1.9
143.08524	1.1
145.06519	1.1
145.10146	1.9
147.04370	0.6
149.05963	1.9
149.09622	0.9
151.07509	4.5
152.06219	2.1
153.01834	1.1
153.07004	4.0
154.07796	1.1
155.04956	0.6
155.08572	1.7
157.06497	2.6
157.10202	0.7
159.04440	0.8
159.08067	0.8
159.11655	0.8
160.16588	0.6
161.01273	0.9
161.06017	1.3
163.07497	1.7
163.11159	0.7
165.07008	6.7
165.09146	0.8
167.07072	2.5
167.08530	1.8
168.05728	2.9
169.02919	1.6
169.06482	2.4
169.08568	0.9
169.09991	0.7
170.07329	0.7
171.04515	0.9
171.08046	1.0
171.11746	0.9
174.99208	1.2
176.04762	0.6
176.98926	2.8
177.05592	1.0
178.07800	0.8
178.36276	0.6
180.05727	1.2
181.01357	1.4
181.06444	4.6
182.07257	2.6
183.04433	1.1
183.08076	2.9
184.05089	0.9
185.05954	2.8
185.09683	0.8
187.03888	1.4
189.01802	0.9
189.09131	1.6
193.06476	1.0
195.02841	0.9
195.08072	3.6
196.05270	1.5
197.02475	0.6
197.05974	3.0
198.06770	2.1
199.07562	2.0
199.11201	0.9
200.01083	1.0
207.10065	1.1
207.11818	0.7
208.05191	2.0
209.05693	4.0
210.06731	3.8
211.03957	0.6
211.07524	5.3
212.04558	0.8
212.08391	1.7
213.01813	1.2
213.05435	2.9
213.09064	0.8
214.02589	1.5
214.06238	2.0
215.03442	1.6
217.01352	1.9
221.05988	1.5
221.09621	0.7
223.07585	1.6
225.01817	15.0
225.05478	2.4
225.09164	2.0
226.06155	1.6
227.07092	2.8
227.10634	1.3
228.00502	10.7
228.07771	2.1
230.05785	1.5
231.02835	0.8
237.05276	0.9
238.06285	3.6
239.07103	1.6
241.01418	0.8
241.04837	1.7
241.08559	1.4
242.02213	0.7
243.02980	1.2
243.06485	1.1
243.10193	1.4
245.00864	3.2
245.08177	0.8
251.07065	0.8
253.01321	11.2
253.08623	2.1
253.12015	0.7
255.06451	2.3
255.10222	1.6
256.00055	4.3
256.07321	1.7
257.08286	1.5
260.03162	3.0
266.05719	0.8
269.08054	1.5
270.01590	1.1
270.08572	1.9
271.02368	23.2
271.05389	1.1
271.09503	4.2
271.12418	0.8
272.02777	0.8
272.10471	1.1
273.00308	9.4
273.07443	1.3
283.99567	5.4
285.00052	1.2
285.07660	1.5
285.10938	1.0
287.12717	1.5
288.02734	0.9
288.09973	1.3
299.01868	50.8
299.09189	2.8
300.02499	2.7
300.99771	14.9
303.12363	0.9
313.07037	1.8
313.18066	1.4
316.02127	30.8
316.08905	7.5
316.12439	1.1
317.02609	1.1
331.04495	100.0
331.11606	40.6
331.15097	1.6
331.18469	1.1
331.22574	1.3
332.04794	3.8
349.15274	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54440	0.3
52.28543	0.3
53.03927	0.4
55.05491	0.5
56.39682	0.3
57.03400	0.4
67.05499	2.0
69.03402	0.5
69.07044	0.6
69.35857	3.2
77.79588	0.3
79.05494	2.6
81.03378	1.0
81.07053	10.6
85.02888	0.5
86.33445	0.4
87.02352	0.3
91.05476	2.3
93.07020	1.1
94.04213	0.3
95.04945	1.0
95.08573	1.2
97.02890	0.4
97.06519	0.3
98.98463	28.7
100.98846	0.6
105.07002	1.4
107.04926	0.8
107.08557	0.9
109.02893	0.6
109.05799	0.5
109.06510	7.8
109.10149	0.7
111.04414	0.4
115.05437	0.9
116.06119	0.4
116.99458	1.4
119.04908	1.0
119.08495	1.1
121.06468	0.6
121.10104	0.5
121.14328	0.3
122.03601	1.0
123.08043	0.5
127.03896	0.5
129.06964	1.1
131.04904	1.6
131.08530	0.7
133.02878	0.4
133.06454	0.3
134.03595	0.5
137.05975	11.3
140.06245	0.4
140.18832	0.3
141.03265	0.6
141.06993	0.5
141.09074	1.5
143.63727	0.4
144.02013	0.5
145.06509	0.3
145.10107	0.6
147.11646	0.5
149.05922	0.4
149.09506	0.4
151.07570	2.2
152.06166	0.7
153.01801	1.4
153.06964	1.6
155.06018	0.7
155.08513	0.6
157.06474	1.4
158.03632	0.6
159.04314	0.5
159.11661	0.8
161.05963	0.6
161.09511	0.5
163.07521	0.5
165.05643	0.5
165.06961	2.2
167.07024	1.0
167.08418	0.8
168.05699	0.9
169.02858	1.7
169.06346	0.7
169.07578	0.5
169.09865	0.6
171.04320	0.5
171.11662	0.4
174.06718	0.4
174.99213	0.9
176.98952	2.1
177.05403	0.5
177.09047	0.4
181.06487	1.8
182.07236	0.9
183.08034	1.9
184.05322	0.4
185.05940	0.9
186.03194	0.7
187.03853	1.1
189.01822	1.5
189.09084	0.5
190.04918	1.4
193.10091	0.4
195.05556	0.9
195.08008	1.0
196.05101	0.5
197.02284	1.2
197.05969	1.2
198.06740	0.9
199.07562	0.6
200.01057	1.1
201.01691	0.4
203.03311	0.4
204.04056	0.6
207.04468	0.4
209.05917	0.7
210.06761	1.3
211.07535	1.9
212.04530	0.4
212.08325	0.6
213.01787	1.1
213.05450	1.2
213.09047	0.6
214.02602	0.9
214.06206	0.7
215.03481	2.0
217.01352	2.1
221.07314	0.4
223.07553	0.6
224.04630	0.6
224.08473	0.4
225.01828	12.3
225.09023	0.7
226.02130	0.6
227.06984	1.0
228.00528	10.6
228.07848	0.7
229.01222	0.5
230.05682	0.7
231.02728	1.0
232.03580	0.9
237.05508	0.6
238.06232	1.3
239.07263	0.5
240.07692	0.5
241.01271	0.4
241.04893	0.8
241.08534	0.5
242.02112	0.9
243.02827	0.9
243.10066	0.8
245.00797	3.4
245.08128	0.5
247.02376	0.9
253.01326	11.4
253.05150	0.6
253.08640	1.2
254.01648	0.4
255.06424	0.6
255.10069	0.8
255.99976	2.9
256.07364	0.6
257.00754	1.0
257.08133	0.6
260.03156	2.3
267.07275	0.4
269.08148	0.4
270.01535	1.0
270.08673	0.6
271.02374	21.1
271.07043	1.3
271.09686	0.9
272.02698	0.7
272.10178	0.5
273.00262	8.6
273.07590	0.4
281.04541	0.6
283.99484	5.3
285.00208	2.0
285.08582	1.0
287.01907	0.6
287.12695	0.6
288.02490	0.4
288.09711	0.5
295.07022	0.8
298.01126	0.9
299.01859	50.7
299.09125	1.2
300.02396	3.2
300.99774	14.4
302.00131	0.5
313.08066	3.8
313.14127	0.4
313.25204	0.4
316.02124	33.9
316.09027	1.0
317.02496	1.1
331.04477	100.0
331.11517	14.7
331.89520	0.4
332.04822	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	331.0448
Annotation	3,3'-di-O-Methylellagic acid
Peak:m/z	Relative Intensity
53.03924	0.8
56.96540	0.6
57.03426	0.8
58.26696	0.5
67.05489	2.2
69.03416	1.7
71.02782	1.2
76.54069	0.6
79.05482	2.8
81.03402	1.3
81.07052	9.0
83.04974	1.1
85.02892	1.1
91.05479	7.8
93.07050	2.1
93.62066	0.6
95.04953	1.8
95.08598	1.8
97.02881	0.8
98.06577	0.6
98.98463	36.1
103.05439	1.2
105.07027	3.1
107.04926	1.4
107.08551	1.1
108.89184	0.7
109.02885	1.2
109.06517	7.2
109.10151	0.7
111.04436	0.7
115.05447	1.1
116.99507	1.8
117.03392	0.7
117.06943	1.1
117.35786	0.6
119.04948	3.8
119.08556	1.3
121.06480	2.4
121.10190	0.7
122.03648	1.3
123.04403	0.8
123.08035	0.8
127.03880	0.6
127.74110	0.6
128.06210	1.5
129.06999	2.9
131.04936	1.6
131.08571	0.7
132.71416	0.6
133.10187	0.9
135.08061	1.3
137.05974	19.7
141.06970	1.8
141.09077	1.7
145.06430	1.6
145.10135	0.8
147.04358	0.8
148.55452	0.6
149.00465	0.7
149.05975	2.2
149.09645	0.8
151.03928	0.7
151.07532	10.2
152.06219	2.1
153.01845	2.3
153.07001	3.3
154.07701	0.8
155.08511	1.3
156.05696	0.8
157.06516	3.8
159.04442	0.8
159.11679	0.8
161.05994	3.2
161.09523	0.7
163.07562	3.1
165.07002	7.3
167.07146	1.3
167.08551	3.3
168.05666	2.1
169.02849	1.1
169.06445	1.8
169.08713	1.0
169.10127	0.8
171.04434	0.7
173.09612	0.9
174.06671	1.2
175.07549	0.8
176.98933	1.9
177.07027	1.0
178.07788	1.5
181.04985	1.1
181.06432	5.2
182.07291	2.2
183.04466	0.8
183.08040	4.2
184.05209	0.7
185.05995	2.4
186.03052	0.9
187.03925	1.3
187.07605	0.9
189.01826	1.4
189.09102	3.9
193.06516	2.1
193.10165	1.1
194.07288	1.2
195.08070	4.3
196.05249	2.6
197.02397	0.8
197.05923	4.2
198.06758	2.8
199.07518	1.9
200.01053	0.9
200.08392	0.7
203.06979	0.9
207.04562	0.7
207.10103	0.8
209.05983	1.9
210.06767	3.2
211.07538	6.1
212.04680	1.2
212.08282	2.1
213.01950	1.0
213.05486	3.9
213.09111	1.0
214.02635	1.5
215.03400	2.7
217.01353	2.7
221.05945	1.5
221.09517	1.3
223.07555	1.9
224.08337	1.1
225.01831	12.0
225.05449	1.6
225.09102	3.9
226.06274	1.4
227.07056	3.2
227.10617	3.2
228.00497	7.9
228.07832	3.0
230.05809	1.4
231.02814	0.8
232.03723	1.0
238.06351	3.1
239.07030	1.7
241.01396	0.7
241.04919	1.7
241.08553	0.8
242.02087	1.2
243.10138	1.6
245.00789	3.6
253.01335	11.1
253.08612	3.5
253.12251	1.5
255.06493	2.1
255.10156	4.3
256.00006	3.1
256.07303	2.2
257.00784	0.8
257.08038	1.3
260.03171	2.7
269.08014	1.1
270.01636	1.3
270.09033	0.8
271.02371	19.8
271.09604	1.9
272.10397	1.1
273.00302	9.3
273.07574	1.3
281.08121	0.9
281.11700	1.0
283.99554	5.5
285.00293	1.6
285.11215	2.7
287.12784	4.3
288.09885	1.3
298.01184	1.0
299.01865	44.4
299.09012	2.5
300.02170	2.8
300.99771	14.3
303.05020	1.7
313.07266	1.1
313.14319	1.5
316.02139	29.1
316.09500	1.1
331.04477	100.0
331.11630	36.4
331.15204	1.9
332.04843	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0447
Annotation	3,3'-di-O-Methylellagic acid
Peak:m/z	Relative Intensity
62.60143	1.3
65.03922	1.9
67.05484	4.7
69.03410	2.7
69.07006	1.2
69.79687	8.3
70.21925	1.6
71.05001	1.6
79.05488	5.4
81.03419	1.7
81.07056	19.5
83.04949	2.4
85.02901	2.7
88.14502	1.4
91.05470	11.9
93.07014	2.1
95.04966	4.0
95.08598	1.8
97.06477	1.8
98.21510	1.9
98.98463	59.9
103.05473	2.7
105.07018	2.7
106.06563	1.3
107.04952	4.9
109.02893	2.2
109.06512	16.0
109.10132	3.5
115.05468	2.4
116.99428	2.2
117.07022	2.3
119.04936	5.9
119.08567	2.9
121.06518	2.5
122.03638	2.7
123.07979	1.4
127.03912	1.7
129.07005	4.2
131.04944	2.4
133.10103	1.7
135.08035	1.6
137.05968	38.7
141.09064	3.5
149.05984	5.5
151.03891	3.0
151.07529	26.4
151.11136	2.2
152.06235	1.8
153.01855	3.0
153.06969	2.0
155.08598	1.4
157.06438	3.1
161.06059	6.5
161.09595	2.1
163.07550	7.5
165.07030	5.2
166.07768	1.6
167.08545	4.8
168.05635	1.8
169.01382	2.1
174.99185	2.7
176.98909	3.7
178.07727	2.6
181.06465	4.1
182.07291	2.1
183.07993	2.0
189.01772	2.0
189.09117	9.5
193.06448	2.8
193.10133	2.4
195.08087	5.4
197.05980	3.2
198.06816	1.6
203.08481	2.1
207.10197	1.5
209.05969	1.2
210.06718	4.1
211.07584	6.1
212.08327	3.1
215.03346	2.3
217.01288	2.6
221.05995	2.6
221.09644	3.7
223.07623	2.7
225.01849	13.3
225.09106	3.4
227.07166	2.0
227.10637	7.3
228.00519	10.9
238.06233	3.5
239.07034	2.5
240.07892	2.1
243.10136	1.5
245.00722	2.4
253.01392	9.4
253.05209	1.7
253.08612	5.2
253.12225	4.1
255.06509	1.5
255.10144	7.9
256.00070	3.7
269.08267	1.7
271.02396	22.6
271.09607	2.5
273.00317	11.7
283.99475	4.5
285.00372	2.9
285.11356	4.7
287.12762	8.8
299.01877	46.1
300.02518	1.7
300.99832	13.2
313.07617	3.0
313.14471	2.1
315.98727	2.4
316.02142	27.6
316.05411	1.1
331.04474	100.0
331.11667	18.1
332.04755	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0445
Annotation	3,3'-di-O-Methylellagic acid
Peak:m/z	Relative Intensity
52.91176	0.5
53.03937	0.4
55.01865	0.6
55.05503	1.0
67.05470	0.9
69.03416	0.7
70.07855	1.0
70.08282	1.6
76.25877	0.4
79.05495	1.6
81.03414	0.6
81.07056	4.6
85.02900	0.6
91.05460	2.0
95.04970	0.7
98.98466	17.7
103.05473	0.5
105.07035	0.6
107.04963	1.0
107.08608	0.8
109.02895	0.5
109.06507	3.3
113.03902	0.6
115.05447	0.8
116.02592	0.6
116.99467	0.7
119.04890	0.5
121.06491	0.6
122.03637	0.5
123.08065	0.5
131.04953	1.6
137.05971	5.9
140.04938	0.5
141.03372	0.8
143.08568	0.5
144.02075	1.1
145.10109	0.8
147.04341	0.6
149.06020	0.9
151.07550	2.0
152.06117	0.5
153.01828	1.5
153.06967	0.7
154.07784	0.6
155.06015	0.7
157.06490	1.0
157.10065	0.4
158.03581	0.7
159.04382	1.2
161.05969	0.7
163.07527	0.5
165.07002	1.3
167.08501	0.5
169.01480	0.5
169.02838	1.7
169.07587	0.6
172.01581	1.2
174.99380	0.5
176.04703	0.5
176.98918	0.7
179.06064	0.8
181.06483	1.2
182.07288	1.0
183.05644	0.7
183.08044	0.9
185.02376	0.6
186.03188	0.7
187.03908	1.7
189.01878	1.9
189.09099	0.7
193.07736	0.6
195.05531	2.4
195.08063	0.8
197.02377	1.4
197.05595	0.5
197.07234	0.9
199.07536	0.6
200.01065	1.6
203.03302	0.6
204.04199	0.8
207.02884	0.7
207.05592	0.5
210.06720	0.9
211.07594	1.2
213.01813	1.2
213.06589	1.4
214.02538	2.1
215.03423	2.4
217.01373	2.4
221.07181	0.8
225.01817	15.8
225.06673	0.7
225.09111	0.9
227.07127	0.6
227.10616	0.6
228.00542	12.0
229.01218	1.0
229.06174	0.8
231.02957	0.8
232.03699	1.1
238.06448	0.5
239.08118	1.4
241.01497	0.6
242.02170	1.0
243.02852	1.5
245.00803	2.8
253.01328	15.3
253.08591	1.8
255.10094	0.5
256.00046	3.8
256.07437	0.5
257.00897	0.8
257.08063	0.5
260.03235	3.2
267.07565	1.0
270.01691	1.4
271.02371	32.2
271.06683	3.3
271.21964	0.5
272.02594	1.0
273.00290	9.7
277.06116	0.6
283.99521	6.5
285.00177	1.7
285.08716	3.1
287.12802	0.9
288.02664	1.0
295.07129	1.4
297.00412	0.5
298.00998	0.8
299.01868	61.2
300.02368	4.7
300.99780	19.5
301.03244	0.9
302.00272	0.6
313.08145	6.9
316.02130	39.3
317.02469	1.4
331.04480	100.0
331.12332	5.3
332.04916	3.7
351.05289	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.7
57.07059	1.2
57.08120	0.5
59.33029	0.5
67.05502	3.3
69.07072	4.5
71.04993	0.5
71.08617	1.0
71.58272	0.8
77.01591	0.5
78.89882	0.5
79.05493	2.3
81.03365	0.8
81.07058	8.8
83.08637	2.7
85.06525	1.5
91.05478	1.3
93.07051	2.2
95.04987	1.0
95.08614	8.3
97.06512	0.6
97.10184	1.7
98.98468	100.0
99.08077	1.0
100.98888	0.6
103.69981	0.5
105.07043	1.7
107.04948	0.6
107.08601	2.2
109.06535	0.5
109.10148	4.2
110.54005	0.5
111.08078	0.6
111.11711	1.4
116.99493	4.0
119.08612	1.9
121.06533	0.6
121.10157	2.2
122.36777	0.5
123.11721	2.1
131.08592	1.0
133.10156	0.6
135.11679	0.9
137.05984	1.9
137.13228	0.9
140.01094	0.8
145.06531	0.7
145.10147	1.1
149.09703	0.6
149.13277	1.1
151.14795	0.9
157.10124	0.8
159.11713	0.7
161.09578	0.6
167.07039	0.8
171.11690	0.6
172.48184	0.6
174.99217	6.2
176.98929	2.8
181.10320	0.6
194.07219	0.6
195.08107	0.6
208.05168	3.1
208.45929	0.5
236.04680	1.0
241.08594	1.0
254.05746	1.3
257.04410	0.6
269.08054	3.9
271.06149	1.2
272.06778	1.0
289.21786	0.6
297.07541	0.9
297.10956	0.5
311.29495	0.8
315.08655	7.2
329.10153	1.8
329.13953	1.6
329.21146	0.7
329.24695	1.7
330.10938	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	330.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
56.90789	0.3
57.40992	0.3
60.94273	0.4
61.02932	0.5
67.05511	0.5
69.03437	1.8
69.27952	4.0
79.05479	0.9
80.87436	0.3
81.03422	0.5
85.02908	2.3
91.05488	0.9
93.06985	0.5
94.06555	0.8
95.04951	0.6
97.02858	1.1
98.98465	10.0
105.07034	3.4
105.07645	0.6
106.06559	1.0
107.07339	3.6
108.08045	0.4
108.40858	0.3
117.05803	0.7
122.09667	11.3
123.10045	0.5
127.03917	0.5
132.08101	0.7
135.06850	0.6
137.05960	1.1
150.09142	100.0
151.07553	0.7
151.09494	1.3
168.10185	5.7
176.98970	0.7
210.06696	0.4
238.05611	0.4
243.51172	0.4
285.03864	0.6
298.79703	0.4
299.01865	0.6
313.03387	0.6
330.17343	0.4
331.04562	1.2
331.11719	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14921	1.0
53.03945	1.6
55.01859	4.5
57.03422	4.7
61.02930	12.2
69.03426	9.8
70.77702	2.0
73.02911	8.9
79.20339	1.0
79.96815	1.0
81.03406	4.3
84.61404	1.1
85.02903	75.2
87.04463	1.3
91.03966	2.6
97.02883	12.8
98.20866	1.6
98.98464	100.0
99.04443	2.3
101.02381	8.3
103.03941	16.7
109.02853	4.4
109.23203	1.0
116.99496	4.5
121.05019	1.3
123.49912	1.0
127.03922	8.6
145.04993	9.5
149.04451	87.0
153.01833	1.3
163.05925	2.2
174.99237	7.8
176.98950	2.1
298.13147	1.2
303.01361	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1753
Annotation	Cropodine
Peak:m/z	Relative Intensity
53.03941	0.8
55.01858	1.0
55.05500	2.2
56.05014	1.2
57.03415	0.6
58.88304	0.5
59.05009	0.7
61.02924	0.7
63.37030	0.5
65.03933	1.1
67.05505	4.8
68.05042	2.7
69.03423	1.0
69.07065	1.0
69.37193	3.7
69.37612	1.4
71.04987	5.5
79.05489	6.3
80.05038	2.6
81.03416	0.8
81.07054	7.4
82.06570	0.8
83.04987	1.2
84.04507	8.6
85.02900	5.1
85.06538	2.5
91.04962	1.0
91.05481	10.0
93.03389	1.1
93.07039	6.7
94.06554	1.9
95.04965	8.7
95.08607	3.8
96.04480	1.5
97.06516	4.6
98.02470	0.8
98.98463	53.4
99.08100	0.8
102.05524	1.6
103.05450	1.4
105.07021	7.3
106.06531	2.3
106.07206	0.9
107.04971	1.6
107.08579	1.4
108.04458	0.8
108.05737	0.6
109.06503	3.3
110.06044	5.1
111.08074	1.3
112.03980	1.0
112.07603	0.8
114.05552	2.7
115.05431	0.9
116.06256	0.8
116.99496	2.4
117.05724	0.5
118.06552	3.2
119.08598	1.3
120.08115	3.0
121.06496	10.4
121.10138	2.2
122.06036	0.6
123.08054	1.8
124.07557	2.7
129.07005	2.2
130.04970	1.1
130.06528	1.2
131.08533	4.7
132.08092	1.5
134.05995	0.8
135.08037	1.7
136.07555	2.4
137.05974	0.7
137.09587	1.4
142.04967	0.6
144.08119	1.1
146.06021	0.8
148.07576	2.5
149.09584	1.4
150.09108	1.3
152.07108	0.6
154.05016	0.7
157.09993	0.6
158.99733	0.6
160.07516	0.6
162.09094	0.8
163.11169	4.3
164.07025	0.8
172.11156	0.7
174.99245	4.4
176.98851	1.3
178.12241	0.6
181.12277	4.3
183.95107	0.6
190.08701	1.1
192.06570	0.8
193.90199	0.6
194.08188	0.7
196.09703	1.9
198.14838	0.9
232.13388	3.0
236.16479	0.9
237.59967	0.6
242.10080	0.8
250.14505	1.0
264.15985	1.2
282.16934	3.3
296.14935	2.2
328.17542	100.0
329.18082	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	327.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.6
53.03943	1.4
55.01851	1.6
55.05511	24.5
57.03437	11.5
57.07068	2.2
65.03936	1.2
66.13691	0.5
67.05504	35.4
67.64960	0.6
69.07068	28.6
70.64190	1.9
70.64572	1.0
71.04987	3.1
79.05492	12.8
81.03420	0.8
81.07059	39.9
83.04965	1.4
83.08617	13.6
85.06538	2.7
91.05482	8.4
93.07043	13.1
95.04951	2.1
95.08609	32.1
97.06516	3.8
97.10175	10.6
98.98466	100.0
99.08099	1.7
103.05473	0.8
105.07031	7.0
107.08597	8.5
109.06533	1.0
109.10160	13.9
111.08086	2.3
111.11732	2.6
113.06033	0.6
113.09635	1.1
116.99509	4.3
119.08578	5.4
121.10143	11.6
123.08059	1.7
123.11723	4.6
125.09616	1.3
125.13312	0.8
131.08536	0.7
133.10143	4.3
135.11687	10.1
137.05968	3.7
137.09628	1.8
137.13269	2.0
139.11209	1.6
140.01128	0.8
144.07803	0.6
147.11662	3.3
149.13293	2.1
150.42870	0.6
151.03917	1.5
151.11160	1.1
153.12761	2.2
157.10057	0.6
161.13275	2.8
165.09148	0.6
165.12682	0.9
174.99217	10.1
175.14845	1.4
179.14313	0.7
197.06158	0.7
207.07994	1.8
217.19453	2.8
222.29053	0.6
223.07629	0.6
235.07568	1.2
235.20560	3.6
239.06599	0.6
241.08734	0.7
251.07068	1.0
251.99887	0.7
252.07962	0.7
253.21605	1.0
267.10165	1.6
277.08582	1.2
290.57013	0.7
295.09616	2.0
299.12817	1.0
309.24280	2.8
327.08691	1.0
327.12302	4.1
327.16019	2.3
327.25330	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	327.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97552	0.5
53.03949	0.8
55.01858	2.5
55.05507	7.8
57.07084	4.2
59.04986	1.6
67.05500	9.3
69.03414	2.0
69.07068	20.1
69.07453	1.0
71.04978	2.5
71.08628	1.3
72.17647	0.7
73.06555	1.3
79.05493	4.7
81.03411	0.9
81.07054	27.2
83.04961	0.8
83.08620	6.5
85.02866	0.6
85.06536	7.5
91.05464	3.4
93.07046	8.9
95.04952	1.2
95.08604	22.5
96.08890	0.6
97.06533	2.6
97.10168	2.1
98.21517	1.6
98.98465	100.0
99.08103	3.9
99.77417	0.6
103.05496	1.3
105.06422	0.8
105.07023	4.8
107.08598	9.4
109.06499	1.3
109.10155	8.8
111.08078	14.3
111.11722	3.0
116.99498	3.1
119.08601	1.7
121.02843	0.7
121.06529	0.6
121.10137	5.6
123.08090	1.2
123.11698	13.4
125.09662	1.5
125.13321	0.9
129.02493	0.6
131.04935	1.1
131.08565	0.6
133.10141	1.4
135.11687	3.7
137.05969	4.3
137.13248	5.1
139.11177	1.4
140.01080	0.7
143.04955	0.9
147.11699	1.7
149.13254	7.3
151.14822	0.7
153.01826	0.8
153.12744	4.1
155.14262	0.7
161.13318	1.0
163.03934	0.8
163.07558	0.9
163.14815	2.5
165.06911	0.7
165.09081	0.8
167.14328	1.5
174.99237	9.5
175.07539	0.8
177.16460	1.0
179.08583	0.7
190.08685	0.8
206.07233	0.8
207.08076	1.1
235.07619	1.3
249.09062	0.8
250.67125	0.7
252.07872	0.9
265.25403	0.7
266.09378	0.7
267.10202	1.9
273.25522	0.7
277.08591	0.9
278.09033	0.6
291.26959	1.7
295.09674	1.9
309.27975	4.2
327.05017	0.9
327.08670	1.0
327.12344	4.0
327.15814	1.3
327.23166	0.8
327.28992	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73586	0.8
55.05506	6.6
57.07064	2.2
59.04978	1.1
67.05501	6.4
69.07066	15.0
69.50875	6.9
71.04981	1.2
75.62301	0.8
78.73617	0.8
79.05502	4.8
79.33184	0.7
81.07056	19.5
83.08638	4.9
85.06532	2.3
91.05476	3.2
93.07044	8.8
95.04961	1.4
95.08608	13.5
97.06517	1.3
97.10182	2.2
98.98465	100.0
99.08086	1.2
105.07010	3.9
107.04955	1.1
107.08595	7.4
109.10147	8.5
111.08068	4.9
111.11736	2.6
116.99463	3.7
119.08572	1.9
121.06548	1.1
121.10152	3.9
122.03599	1.0
123.11702	6.9
125.13261	0.9
133.06389	0.9
133.10107	1.9
135.11681	3.0
137.05977	6.9
137.13255	2.3
139.11113	1.4
140.01057	0.8
147.11707	1.5
149.13275	3.0
151.03964	1.3
153.12712	1.3
154.11380	0.9
161.13278	1.0
163.14867	1.4
165.12766	0.9
171.11699	0.8
174.99205	9.4
179.08556	1.1
189.06973	1.0
195.08060	0.7
203.17929	1.0
207.08002	2.2
223.07559	0.9
234.06731	2.5
235.07536	2.7
249.09164	2.6
262.06290	1.0
265.08945	1.1
267.10199	2.7
276.12231	0.8
277.08539	2.8
283.09689	1.5
295.09641	2.7
297.27942	1.0
299.12744	1.7
309.11279	1.2
309.27777	2.9
321.21030	0.8
327.08582	1.4
327.12262	5.5
327.15616	0.9
327.19540	0.8
327.22858	1.0
332.16748	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.1
53.03941	4.5
55.01865	0.8
55.05502	1.7
57.03442	0.7
57.07067	1.1
65.03937	1.2
67.05497	3.5
69.03425	0.6
69.07055	2.2
71.59032	1.1
72.08160	1.0
77.03944	1.5
79.05507	2.8
81.03426	1.2
81.07047	4.2
83.08618	1.0
91.05479	4.6
93.07043	8.1
95.04966	21.1
95.08610	5.2
97.06521	2.1
98.98463	100.0
103.31515	0.5
103.94531	0.6
105.04494	1.4
105.07021	6.1
107.08582	5.1
109.06507	1.2
109.10165	3.6
109.60783	0.6
111.50560	0.5
115.05463	0.7
116.99501	5.8
117.07019	1.8
119.08583	5.8
121.06493	1.9
121.10151	3.0
123.08073	1.8
123.11717	0.6
129.06975	1.1
131.08551	2.7
133.10123	5.3
135.08070	1.0
135.11667	1.5
137.09592	1.0
140.01035	1.1
141.06989	0.8
142.07750	1.5
143.08572	2.4
145.06465	0.9
145.10100	5.3
147.08011	1.2
147.11682	2.0
149.09619	0.6
152.06209	15.5
153.07001	11.4
154.07396	0.9
156.09325	1.2
157.10100	3.2
159.07997	0.6
159.11690	3.9
161.09637	1.8
161.13231	0.8
168.05725	5.4
169.06482	2.1
169.10129	1.6
171.08058	0.8
171.11702	1.5
173.13252	1.9
174.99236	9.4
175.14807	1.8
181.10176	0.9
183.11659	1.1
185.13217	1.1
187.03040	0.8
187.11165	1.2
187.14850	1.6
195.59448	0.7
197.13252	1.0
199.14758	1.3
201.16400	0.6
209.13176	1.2
211.14763	0.6
215.02512	3.3
225.16245	0.8
227.08594	1.0
227.14447	0.8
228.09328	4.1
229.10088	2.0
233.03618	15.6
234.04057	0.7
235.14839	0.7
251.04678	9.4
257.04462	1.6
309.06763	0.7
309.22198	0.9
310.31088	0.9
327.07806	57.1
327.23099	2.8
327.33743	0.9
328.08099	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	327.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53548	0.6
53.03941	0.7
55.05502	2.2
55.05754	0.6
57.07074	1.1
67.05489	3.5
69.07053	2.8
71.58493	0.9
72.08151	0.7
79.05489	2.4
81.07056	3.4
81.07469	0.5
81.98272	0.6
83.08624	0.7
90.55244	0.5
91.05486	4.6
93.07040	6.1
95.04960	8.5
95.08611	5.5
97.06537	2.1
98.98465	100.0
103.05476	0.7
105.07028	6.3
107.04922	0.7
107.08586	4.5
109.06517	1.4
109.10162	2.3
116.99472	5.3
117.05517	1.6
117.07019	2.0
119.08582	6.9
121.06510	1.6
121.10143	3.9
123.08047	1.3
123.11716	1.1
128.06204	0.7
131.08577	2.8
133.10103	5.0
135.11668	0.9
137.09517	0.6
137.96945	0.6
140.01082	1.4
141.07042	0.7
142.07771	1.7
143.08551	2.0
145.10104	4.4
147.11728	2.2
149.09546	0.7
152.06250	1.1
155.08572	0.8
157.10135	3.7
159.11694	3.7
161.09656	1.4
161.13171	0.7
163.14752	0.7
169.10132	1.6
171.11679	2.2
173.13249	2.0
174.99239	8.7
175.14842	1.7
181.10143	0.6
182.11015	0.8
183.11697	0.8
185.13255	1.6
187.14801	1.1
195.11595	0.6
197.13174	0.8
199.14812	0.9
207.11699	0.8
207.80110	0.6
209.13460	0.8
209.23215	0.6
215.10126	0.6
217.15811	0.7
225.16345	0.6
241.15805	0.6
253.21965	0.7
257.04547	1.3
281.13644	0.7
309.22159	0.8
327.08093	4.1
327.15607	4.7
327.23203	2.5
328.16174	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80750	0.6
52.66224	0.5
53.03938	0.9
55.01878	0.7
55.05270	0.7
55.05513	10.3
57.03440	3.6
57.07062	2.5
65.03945	0.5
67.05508	16.0
69.03415	1.0
69.07068	15.5
71.05000	1.9
71.08632	0.8
71.58167	1.1
79.05495	6.6
81.07058	20.6
83.04989	1.3
83.08620	7.9
85.06539	2.5
91.05493	4.1
93.07047	8.5
95.04973	0.9
95.08607	15.7
97.06514	2.1
97.10154	4.1
98.98469	100.0
99.08093	1.0
105.07038	4.2
107.04930	0.7
107.08603	6.6
108.45110	0.5
109.06489	1.3
109.10159	9.7
111.08086	1.9
111.11726	1.9
116.99530	4.1
119.08622	2.8
121.10148	5.4
121.94419	0.5
123.08038	0.6
123.11714	4.1
125.09686	0.8
131.08585	0.7
133.10144	3.0
135.11678	5.2
137.05986	6.3
137.13240	1.7
139.11107	1.1
140.01097	1.9
147.11714	1.8
149.13245	2.3
151.03885	1.0
153.12782	0.8
157.09999	0.5
159.11690	0.7
161.13237	1.8
165.09171	0.5
165.12726	0.9
171.11771	0.6
174.99240	9.5
175.07600	1.5
175.14783	0.7
178.07748	1.2
179.08607	0.9
189.07076	1.0
190.08630	1.1
191.07158	0.6
195.08188	1.0
206.07326	0.8
207.08089	2.3
208.08621	0.6
209.09662	0.5
217.19556	1.3
223.07500	1.0
225.09193	0.7
234.06871	1.6
235.07529	2.7
235.20677	1.5
239.10970	0.6
240.07776	0.6
244.04240	0.5
249.09106	1.7
251.00032	1.2
252.07681	0.6
253.21484	0.6
263.07095	0.9
265.08560	0.8
267.10135	2.0
268.07269	0.7
269.08066	0.8
277.08630	2.9
278.09015	0.7
281.11508	0.7
283.09781	1.1
295.09735	2.4
299.12750	1.0
309.11316	0.7
309.24442	1.2
309.27710	1.3
327.12363	4.8
327.25421	8.0
328.15768	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1564
Annotation	1-decanoyl-sn-glycero-3-phosphate
Peak:m/z	Relative Intensity
61.90189	2.8
62.80719	2.7
69.37145	24.0
69.37558	6.7
82.76773	2.9
89.56596	3.1
92.23434	3.0
98.98464	39.2
103.68550	2.9
107.04893	4.3
108.29746	3.3
138.80719	3.0
154.97432	3.9
161.05768	9.6
179.06828	6.9
189.08919	4.5
189.52524	3.0
199.07698	3.4
327.15649	100.0
328.16046	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	327.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85707	0.8
55.01868	1.6
66.06820	0.9
69.03412	0.9
70.87328	1.5
70.87710	1.9
79.05486	3.4
81.03394	0.9
81.07043	2.1
91.05463	4.7
94.04176	3.1
94.31245	0.8
95.04944	1.0
98.98461	83.7
103.05459	19.2
105.07024	10.3
107.04940	3.3
109.02930	1.0
109.06509	4.2
115.05454	1.7
116.99483	3.3
117.07008	2.7
119.04951	1.1
121.06490	6.9
122.03665	8.3
123.08067	1.5
128.06198	1.4
129.07005	1.2
131.04919	26.2
133.05470	1.9
133.06483	37.7
134.06827	1.0
135.04399	0.9
135.08038	13.3
137.05969	100.0
138.06339	2.0
140.01031	1.0
143.04926	1.3
145.06487	8.0
147.08047	2.1
149.06052	1.3
150.61034	0.9
151.07518	11.1
157.06494	2.8
163.07533	53.0
164.07912	0.9
165.09081	1.0
171.08031	1.0
174.99171	7.0
175.07558	4.6
177.09085	2.2
187.07457	1.4
189.09035	1.5
197.06026	1.3
202.07706	0.9
203.10556	1.8
206.07350	1.0
207.08055	1.2
209.09700	0.9
235.11162	2.7
245.09538	2.1
248.08321	0.9
249.09073	1.0
263.10739	4.1
264.10843	0.8
265.08630	0.8
295.13275	8.8
311.05533	1.2
327.04816	7.9
327.12219	2.5
327.15924	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	327.1588
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03945	1.3
55.01854	1.1
69.37404	1.3
69.37805	9.4
69.44758	0.9
75.78045	1.0
79.05477	4.2
81.07048	2.4
83.04951	1.1
91.05501	5.0
93.07012	1.3
94.04166	4.2
95.04951	2.3
95.08619	1.7
98.07977	0.9
98.20787	1.8
98.98462	77.8
99.41973	0.9
103.05468	24.2
105.07037	10.4
107.04945	4.1
108.38178	1.0
109.06508	3.9
115.05444	3.0
116.99508	2.6
117.07013	3.7
119.04910	1.6
121.06517	7.1
122.03617	9.4
123.08072	1.4
128.06229	1.0
129.07002	1.4
131.04921	24.4
131.67706	0.9
133.06490	36.4
135.08032	11.9
136.05170	1.0
137.05974	100.0
138.06310	2.1
143.04935	1.7
145.06485	8.2
147.08043	1.7
149.05939	2.0
151.07539	15.7
157.06508	4.1
161.26881	1.0
163.07541	58.0
164.07880	1.8
167.29158	1.0
171.08081	2.4
173.05965	1.3
174.99277	6.0
175.07574	5.4
177.09096	2.7
181.06525	1.1
187.07529	2.0
189.09134	1.9
195.08089	1.0
203.10780	1.3
207.08067	1.4
214.15875	0.9
217.10220	1.3
219.08287	1.1
220.08746	1.7
235.11118	3.5
245.09615	1.6
248.08145	1.1
249.09068	1.2
263.10641	6.1
267.10126	1.4
277.08734	1.1
295.13190	9.0
309.14969	1.1
327.04959	4.2
327.12326	2.4
327.15854	7.7
336.52219	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	16.7
57.07066	9.7
67.05490	26.0
69.07075	36.5
69.59475	36.4
76.49477	5.6
78.06605	4.5
79.05476	8.0
81.07063	56.1
83.08620	13.4
91.05479	15.5
93.07030	18.7
95.08607	100.0
95.09187	10.3
97.10172	9.0
105.07020	22.4
107.08585	29.8
109.10143	48.5
117.07003	7.0
118.81046	5.5
119.08586	41.6
121.10139	23.2
123.11736	11.4
131.08551	29.6
133.10109	24.6
135.11635	14.1
137.13269	14.9
145.10136	27.5
147.11661	18.2
149.13219	9.5
157.10117	7.8
159.11688	20.4
161.13264	21.5
163.14841	16.3
169.57991	5.2
173.13248	23.2
175.14839	12.0
185.13306	6.0
187.14769	41.0
189.16377	13.6
191.17966	10.6
201.16405	19.0
215.17900	7.2
229.19553	20.4
240.44545	5.5
269.22400	6.0
293.38010	6.6
325.28952	84.1
326.29251	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	327.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96085	6.0
61.85259	6.0
69.84956	18.5
69.85368	16.1
76.85344	5.6
77.55022	7.5
85.02901	14.3
87.80103	5.8
97.02921	6.2
98.97592	7.1
98.97805	6.3
98.98473	64.9
102.02659	6.0
113.65549	5.9
116.98631	7.2
118.94717	5.3
120.12526	6.6
134.02469	5.9
153.01836	39.5
164.07089	12.1
174.99135	6.6
201.00742	9.5
219.01674	6.7
327.04663	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.9
55.05505	0.6
55.64805	0.4
57.03447	0.7
67.05498	1.4
69.03429	0.9
69.56242	3.7
71.04987	1.2
79.05485	3.6
81.03413	1.2
81.07047	1.9
84.04460	0.5
85.02872	1.2
87.04472	7.8
91.05478	7.1
93.07040	2.2
95.04950	1.0
98.20746	0.7
98.98462	100.0
103.05454	1.2
105.03400	0.6
105.07023	4.7
107.04955	1.7
107.08615	0.8
108.48393	0.5
109.02883	0.7
109.06503	1.3
115.03908	2.4
115.05462	2.1
116.06143	0.6
116.99479	4.7
117.07015	5.9
119.04904	0.8
119.08573	2.8
121.06511	2.4
128.06230	2.2
129.06999	5.3
130.07877	0.6
131.04915	1.5
131.08528	3.8
133.06468	1.3
133.10147	0.7
135.04402	0.5
137.05988	4.7
141.06993	2.0
142.07780	1.6
143.04930	0.7
143.08533	3.3
145.06509	2.8
145.07492	0.7
147.08044	5.2
149.06001	0.8
149.09671	0.9
151.07527	0.6
152.06255	0.9
153.06990	1.3
154.07784	0.8
155.08533	3.8
157.06479	1.9
157.10136	2.8
159.08044	2.7
161.05971	0.7
161.09619	0.8
165.05527	0.6
165.06992	0.7
165.09109	0.8
166.07790	0.7
167.08571	1.4
169.06435	0.8
169.10146	1.5
171.08054	2.4
173.09570	2.7
174.99203	10.2
175.07474	0.7
177.09131	1.6
178.07704	0.7
179.08591	0.7
179.84302	0.7
181.10175	1.3
181.12250	1.5
183.08116	2.1
185.09590	6.0
187.11215	1.6
189.09111	0.8
192.08691	0.6
193.08737	0.8
195.08043	0.7
197.09706	1.4
199.07538	0.9
199.11230	2.0
201.09053	2.8
203.06944	0.6
203.10646	1.3
207.08075	0.7
209.09605	1.0
213.09149	2.9
215.10590	3.0
219.10316	0.9
225.09203	0.8
227.10664	3.9
231.10121	3.0
233.11749	1.6
237.09184	1.0
243.10112	3.2
245.11719	5.0
251.00075	0.6
255.10190	3.0
261.11209	1.8
263.12781	0.8
267.10220	0.7
273.11279	1.8
291.12308	1.2
295.09714	0.6
309.13480	1.6
327.08426	0.9
327.11908	1.0
327.14664	0.8
327.19269	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2736
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
51.10709	1.8
51.44464	1.7
53.03941	2.4
55.01863	2.8
55.03566	1.8
55.05509	20.3
57.03430	1.7
57.07064	7.7
59.04994	2.6
65.38792	1.7
66.56252	1.8
67.05507	19.3
69.03423	4.0
69.07069	100.0
69.40630	17.0
71.04985	3.8
79.05493	7.3
81.07058	46.5
83.04972	2.8
83.08622	11.6
85.06538	11.4
85.33572	1.8
87.08076	1.6
91.05477	6.1
93.07042	19.8
95.04971	2.9
95.08608	41.2
97.06521	6.8
97.10173	7.4
99.08109	4.8
101.05992	2.2
105.07005	11.0
107.04974	2.8
107.08598	13.2
109.06524	2.7
109.10151	23.4
111.08073	7.3
111.11718	25.7
119.08572	5.8
121.06479	2.6
121.10146	20.9
123.11740	10.1
125.09646	3.7
126.01089	8.4
131.08586	2.9
133.10132	5.4
135.08081	2.4
135.11731	9.0
137.05992	7.4
137.13231	5.7
139.11188	17.4
145.06500	1.7
145.10049	3.7
147.11688	4.4
149.13258	7.8
152.02580	2.2
153.12741	3.3
157.12202	3.3
159.11736	3.1
161.13251	2.7
163.03889	7.5
163.11201	4.2
163.14784	2.4
164.23415	1.6
165.12851	2.3
171.11705	2.7
173.13266	2.5
175.07549	1.9
183.06868	5.9
191.17871	3.1
194.07286	2.3
215.17944	2.7
222.06754	1.9
239.06860	1.7
250.06181	3.1
265.08499	5.7
271.24158	2.1
289.25253	4.9
293.08115	3.4
297.11246	2.6
307.26404	10.0
325.10873	12.3
325.13959	3.4
325.17175	3.8
325.21460	3.2
325.27423	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	17.4
57.03429	2.4
57.07068	5.8
58.91719	1.1
59.04987	3.7
67.05500	11.1
69.03405	2.9
69.07066	100.0
71.01340	1.4
71.05003	7.8
71.08655	1.4
71.31647	2.8
72.87971	1.3
79.05486	7.1
81.03413	1.6
81.07053	40.6
83.04991	1.6
83.08603	8.6
85.06541	3.8
87.26196	1.2
91.05472	5.2
93.07041	18.0
95.04962	4.2
95.08603	33.1
97.06540	6.0
97.10181	2.9
99.08102	4.6
101.06010	2.0
105.07031	7.5
107.04940	1.2
107.08590	15.2
109.06511	3.4
109.10159	15.6
111.08093	3.1
111.11710	23.1
119.08567	6.2
121.06511	1.3
121.10144	15.5
123.08099	2.3
123.11716	9.1
129.12779	2.1
131.08588	1.3
132.04565	1.1
133.10139	3.7
135.11679	10.6
137.05988	2.1
137.13261	5.3
139.11182	16.3
145.10164	2.9
147.11711	3.4
149.13287	4.0
151.14807	3.2
153.12776	4.0
157.12320	1.7
159.11745	2.5
161.13269	3.0
163.11218	6.0
163.14876	2.0
165.12805	3.1
167.14259	1.9
175.14894	1.5
181.12234	2.9
265.08484	1.7
289.25241	4.6
307.26251	13.9
325.10608	4.1
325.14194	2.3
325.27350	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	325.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	14.3
57.03420	0.6
57.07081	3.4
59.04991	1.3
67.05502	5.3
69.03429	1.1
69.07066	100.0
69.87482	2.7
69.87899	1.1
71.04965	0.8
71.08677	0.6
73.02885	0.7
73.06563	0.6
79.05496	2.6
81.07053	16.5
83.04987	0.7
83.08627	3.7
85.06542	1.9
87.53463	0.5
91.05501	1.7
93.07042	5.7
95.04981	0.8
95.08603	23.6
97.02946	0.8
97.05994	0.5
97.06516	3.6
97.10168	2.9
99.08117	1.8
101.06017	1.3
105.07053	2.3
107.08577	3.3
109.06470	0.7
109.10154	5.5
111.08101	1.3
111.11715	24.5
119.08591	2.0
121.10133	5.7
123.11719	2.9
127.47575	0.6
129.12781	1.8
133.10123	0.7
135.11716	2.3
137.13277	0.9
139.11174	19.8
139.12195	1.2
147.11690	1.5
149.13304	1.2
151.14868	2.4
153.12784	1.9
157.12227	3.4
159.11708	0.8
161.13231	0.8
163.03944	2.0
163.14915	0.7
165.12813	1.2
179.14424	0.8
263.23862	1.3
289.25320	0.9
295.26437	0.8
307.26297	4.1
325.27499	2.8
330.42252	0.6
348.18356	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
55.05276	1.3
55.05513	19.5
55.13449	1.4
57.03411	1.5
57.07081	7.1
57.07301	1.4
59.04982	2.6
65.52898	1.5
67.05506	12.4
69.03410	4.7
69.07069	100.0
70.03865	4.9
70.04269	2.9
70.07367	1.5
71.04977	3.9
71.08604	1.6
75.01190	1.3
79.05486	5.2
81.03396	3.9
81.07058	44.5
83.04965	2.7
83.08617	9.4
85.02914	1.9
85.06542	8.5
89.03911	3.4
91.05473	6.4
92.02969	1.4
93.07044	17.9
94.07389	1.4
95.04949	4.2
95.08608	35.6
97.06519	5.9
97.10150	2.0
98.20824	1.8
99.08074	6.3
101.06044	2.6
105.07027	8.5
107.05006	1.9
107.08581	12.1
109.06472	1.9
109.10168	14.7
111.08073	10.4
111.11726	25.5
111.59193	1.5
117.03374	2.6
119.08579	3.8
121.10136	9.1
123.04697	1.5
123.11715	11.9
125.09604	2.7
127.03986	1.5
129.12743	1.8
133.10149	3.1
135.04417	5.9
135.11687	9.2
137.06046	1.5
137.09674	1.4
137.13225	5.0
139.11177	17.7
145.02849	5.0
145.10123	2.2
147.11734	3.2
149.13242	2.3
151.14899	1.9
153.12737	7.1
157.12245	3.6
159.11694	2.4
161.13316	2.7
163.03894	29.6
163.11145	1.6
164.04227	1.9
165.12802	2.6
181.05037	1.6
283.02368	5.0
289.25195	3.5
307.08191	3.6
307.26184	10.5
325.10458	1.9
325.16214	3.8
325.27252	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2006
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03939	4.6
55.01855	2.4
55.05508	8.7
57.03432	6.3
57.07055	1.3
59.78831	0.8
61.11301	1.2
65.03951	1.9
67.05505	17.4
69.03412	2.4
69.07064	4.6
71.01340	1.1
71.04961	1.1
71.58055	1.8
71.58414	1.5
79.05492	38.3
81.03416	3.9
81.07054	100.0
83.04970	4.0
83.08604	4.3
91.05467	10.7
93.07041	20.5
95.04977	5.4
95.08605	17.9
97.06511	2.7
97.10163	1.5
105.07017	6.5
106.09453	1.0
107.04945	2.9
107.08599	8.8
109.06515	53.8
109.10141	3.2
111.08072	10.1
113.61752	1.0
114.19878	1.1
117.06989	2.2
119.08583	4.2
121.06503	2.4
121.10146	16.8
123.08067	7.7
123.11674	1.9
125.09626	1.2
128.06158	1.1
131.08583	5.0
133.06599	1.0
133.10130	5.1
135.08037	2.7
137.09583	1.2
139.07553	1.3
139.11176	4.4
141.09103	2.7
143.08556	1.4
145.10098	1.3
147.11725	1.5
149.09618	4.2
151.11188	1.5
159.08041	1.3
161.09619	3.2
167.10667	7.0
179.10704	1.8
185.11769	1.2
243.17451	1.7
261.18472	2.3
271.16818	2.3
279.19250	1.1
289.17886	6.4
307.19299	1.1
325.19931	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	325.2736
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.05487	0.5
55.05508	14.1
57.07074	4.4
59.05003	1.3
67.05504	4.6
69.03426	1.2
69.07064	100.0
70.56664	0.5
71.04995	0.9
71.08611	0.7
71.09615	1.0
73.02893	0.7
74.20034	0.5
79.05491	3.1
81.03425	1.0
81.07053	16.9
81.07526	1.0
83.08604	4.1
85.06539	1.8
91.05481	1.3
93.07043	5.9
95.04981	0.9
95.08601	23.7
97.06535	2.7
97.10172	2.0
99.08089	2.0
101.06013	1.7
102.36294	0.5
105.07035	2.3
107.08577	4.1
109.06532	0.6
109.10158	6.1
111.08090	1.7
111.11716	25.2
117.03363	0.6
119.08585	2.2
121.10137	5.3
123.11739	2.0
125.09641	0.8
125.13294	0.6
127.11196	0.8
129.12769	1.5
133.10168	0.9
135.04475	1.4
135.11655	2.6
137.13268	1.2
139.11177	18.7
147.11746	0.6
149.13263	1.5
151.14870	2.1
153.12723	0.9
157.12195	3.4
159.11703	1.1
161.13268	1.1
163.03877	4.6
163.11220	0.7
163.14920	1.2
165.12834	1.3
179.14247	0.6
189.16545	0.7
262.83395	0.6
263.23737	1.5
289.25348	1.1
295.36920	0.5
307.26294	4.6
316.82236	0.6
325.27350	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	325.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
55.01873	18.7
55.05511	39.2
57.03431	5.7
67.05507	48.2
69.07067	6.4
70.24545	9.4
71.04994	6.0
73.38002	3.5
79.05495	41.5
81.03437	6.8
81.07061	59.8
83.04997	8.3
83.08630	11.9
91.05486	35.2
93.07050	30.9
95.04977	57.9
95.08623	14.8
97.02886	3.6
97.10178	20.9
105.07026	21.1
107.04959	19.6
107.08568	20.0
109.06515	33.4
109.10155	29.9
111.04493	3.5
111.08114	3.9
115.05459	4.0
117.07025	10.3
119.04937	3.0
119.08551	19.4
121.06548	4.9
121.10093	4.7
122.07304	14.3
123.04503	4.8
123.08044	3.3
125.09631	18.0
128.11024	2.9
131.08595	4.4
133.06477	6.9
133.10179	4.0
135.08067	8.3
137.09621	100.0
143.08620	4.0
147.08055	10.3
149.09618	3.7
161.09650	8.1
171.08122	3.2
189.11240	13.1
195.06808	3.1
233.15385	6.2
261.14865	5.4
287.79257	3.4
290.18875	5.1
348.19778	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01867	4.0
55.05510	1.3
57.03432	2.2
58.27240	0.9
61.02925	1.4
63.45253	0.8
67.05502	2.1
69.03425	17.7
69.45619	4.5
69.46047	3.4
70.06248	0.9
70.06586	4.1
71.04981	6.5
72.93776	2.0
73.02894	1.2
79.05507	2.6
81.03417	21.2
81.07062	4.6
85.02913	4.0
89.03919	1.5
90.94816	1.4
91.05478	13.2
93.07053	1.6
95.04947	1.9
97.02879	3.0
99.04461	6.6
103.05486	1.1
105.07020	1.7
107.04983	1.2
107.08591	2.1
109.02852	2.3
109.06519	3.0
116.04990	1.1
117.03391	2.3
117.05533	2.1
117.07013	1.0
118.06538	6.0
119.04961	1.0
119.08578	1.5
121.10209	1.0
127.03875	1.3
130.04961	1.1
131.04915	1.4
134.16768	1.1
135.04437	4.6
135.08067	1.7
137.05968	14.8
139.03830	1.1
144.95877	1.4
145.02856	2.8
145.07591	7.3
146.06059	1.2
147.09155	9.0
151.07550	2.0
158.97417	2.0
161.06042	1.4
162.07773	1.2
163.03908	23.5
163.07500	2.9
163.08707	1.2
164.07083	7.6
169.06494	1.4
171.31633	1.0
173.07104	11.2
175.07430	1.1
175.08720	6.1
176.98418	1.2
186.96938	1.2
191.08145	100.0
201.09079	2.0
233.09395	2.0
234.99008	3.2
247.02362	1.6
289.11655	1.1
293.11813	1.5
307.07776	1.2
307.09076	1.3
307.12848	27.5
308.12988	1.1
310.11874	0.9
325.03751	4.3
325.14038	18.2
334.76083	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0916
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03932	0.6
55.01859	0.4
55.05504	1.5
55.34139	0.3
57.03423	0.5
57.07064	0.6
60.32840	0.3
63.02369	0.5
67.05499	1.9
69.03082	0.4
69.03424	4.7
69.07067	4.2
71.04968	0.4
71.19058	0.9
77.03973	0.3
79.05494	2.5
81.03384	1.0
81.07051	5.6
81.07751	0.3
83.04969	1.0
83.08621	0.4
85.02885	0.8
85.06532	1.2
89.03909	8.1
91.05461	1.2
93.07045	3.2
93.54382	0.3
95.04948	2.5
95.08604	4.2
95.66831	0.3
97.02884	1.0
97.06499	0.7
97.10194	0.5
99.04448	0.8
99.08078	0.7
105.07032	1.4
105.80328	0.3
107.04956	2.3
107.08597	2.1
109.02862	0.7
109.06519	0.6
109.10146	2.4
111.08075	0.7
111.11717	0.8
117.03377	8.7
117.40603	0.3
119.08574	1.5
121.10121	2.3
123.11723	1.7
125.09551	0.4
127.03905	2.0
131.08551	0.5
131.88016	0.3
133.10098	1.0
135.04410	20.5
135.11696	2.3
137.05940	0.6
139.11200	0.8
145.02840	12.5
147.11670	0.7
149.13222	0.8
153.01828	0.3
153.12737	0.7
159.11673	0.4
161.13211	0.4
163.03896	100.0
163.11166	1.1
163.14877	0.5
164.04250	2.4
173.13277	0.3
175.14815	0.4
181.04980	1.2
201.08981	0.4
206.11017	0.3
233.00871	2.0
265.07025	0.4
266.38928	0.3
280.98508	0.3
307.08090	0.5
307.26337	0.5
325.09372	0.7
325.14117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.1
55.01868	2.1
57.03426	4.3
67.05492	3.3
69.03432	17.5
71.01356	1.3
71.05001	5.6
71.45826	1.4
75.04444	1.2
79.05476	3.9
81.03418	18.0
81.07059	15.3
85.02896	1.4
91.05479	4.6
93.07035	1.4
95.04949	1.7
99.04458	6.3
102.51112	1.1
103.24265	1.1
107.04938	1.3
109.06519	13.9
109.10150	1.5
117.05545	1.5
117.06972	1.5
118.06538	7.5
121.06551	1.1
135.04378	3.0
137.05962	14.2
139.03934	9.1
141.09103	3.0
145.07591	7.2
147.09184	9.9
159.56175	1.0
163.03886	8.9
163.07501	2.0
173.07083	13.1
175.08676	5.3
187.60938	1.0
191.03362	2.5
191.08157	100.0
219.02803	2.0
247.02353	6.4
289.11917	1.6
293.03067	2.0
307.12872	30.3
307.16238	2.2
308.13187	1.2
325.05652	2.6
325.13977	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	323.2577
Annotation	Pacificanone B
Peak:m/z	Relative Intensity
55.05512	33.0
57.03429	5.1
57.07062	12.3
59.05008	2.8
67.05505	37.7
69.03413	9.7
69.07067	100.0
69.34270	10.9
69.34691	17.8
71.01381	3.4
71.04995	34.0
72.97113	2.8
74.20954	2.5
79.05483	21.5
81.03414	10.0
81.06585	4.7
81.07056	95.8
83.04965	16.3
83.08628	14.7
85.06532	9.4
86.55136	3.1
91.05466	14.2
93.07047	48.3
95.04980	14.4
95.08606	58.9
97.06519	14.0
97.10145	7.6
99.08085	12.3
105.07030	32.2
107.08603	43.7
109.06523	8.5
109.09465	3.9
109.10158	43.8
111.08065	11.2
111.11723	18.5
115.71401	2.6
119.08566	24.0
121.06486	4.9
121.10132	35.0
122.44086	2.6
123.08037	7.6
123.11691	30.6
125.09599	3.5
127.11131	4.4
131.08543	8.2
133.10098	16.2
135.11699	25.4
137.05981	6.0
137.09590	8.1
137.13252	5.6
139.11177	10.4
143.08615	2.9
145.10106	8.9
147.11691	16.8
149.09665	4.1
149.13245	24.3
151.11171	13.9
153.12767	6.3
157.10147	3.4
159.11667	8.0
161.06062	4.3
161.13223	6.4
163.11186	10.0
163.14749	4.4
165.12698	6.3
167.14311	5.3
171.64063	2.5
174.87073	2.9
175.14980	3.2
177.12704	3.7
181.12244	4.0
220.74043	2.9
231.08058	5.3
263.10803	3.3
291.10101	7.8
305.24741	16.2
323.12799	9.5
323.25961	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	324.1051
Annotation	Tazarotenic acid
Peak:m/z	Relative Intensity
55.01863	1.4
69.03429	3.3
70.76390	3.1
70.76801	3.1
79.05493	1.4
81.07027	2.7
85.02875	1.9
97.02872	1.7
119.87929	1.3
126.58433	1.5
127.07522	1.9
130.62321	1.5
130.63228	1.6
135.04413	2.8
137.02220	1.6
153.01845	1.8
163.03909	12.1
190.09720	4.2
191.08073	1.8
248.09724	1.3
275.13412	1.4
307.12842	2.3
324.10477	100.0
325.10861	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.9
53.03938	2.4
55.01878	4.0
55.05495	3.4
56.96574	3.8
57.03441	4.9
58.06599	3.4
60.04532	13.3
61.02918	7.8
61.44378	2.1
66.34352	1.8
66.51597	2.3
69.03430	21.5
69.86095	12.3
70.06592	26.9
71.04994	6.5
72.08159	1.9
73.02930	5.3
79.01895	2.5
81.03432	10.8
81.07072	2.8
83.04998	12.3
84.08137	28.0
85.02912	35.6
85.06553	3.3
87.04459	2.6
88.07633	8.7
91.03951	4.4
95.04972	1.7
96.08154	4.5
97.02901	16.8
97.06546	2.9
98.97600	6.7
99.04455	4.8
100.07629	5.2
101.06023	2.9
102.09167	2.7
103.67529	1.8
109.02905	6.0
114.09164	5.5
116.98618	4.5
118.08622	11.8
121.05148	2.2
127.03917	8.2
134.99693	3.5
144.10214	7.7
145.04980	5.7
145.08623	3.3
146.11858	2.2
153.01823	9.5
162.05511	11.9
162.11264	100.0
163.03873	2.0
166.87848	2.2
177.00749	3.3
177.53122	2.2
189.00636	2.2
193.08391	4.1
219.01740	3.9
324.16556	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48950	0.4
52.84228	0.3
53.03933	1.0
55.01851	1.1
55.05484	0.5
57.03424	1.5
63.23643	0.4
67.05495	1.2
69.03428	4.8
69.07041	1.7
69.07387	0.4
69.83283	2.5
71.04987	1.8
72.07732	0.3
73.02905	0.5
79.05491	3.2
81.03414	5.8
81.07041	2.8
81.95348	0.4
83.04975	0.4
83.08579	0.4
85.02882	1.2
85.06538	0.5
89.03907	6.9
91.05475	1.4
93.07040	2.3
95.04966	1.2
95.08598	1.8
95.87369	0.4
97.02911	0.8
97.06511	0.4
98.20852	0.4
99.04455	2.1
105.07027	1.0
107.04939	2.9
107.08575	1.5
109.02853	0.4
109.10128	1.2
111.08083	0.5
117.03372	9.3
117.05430	0.6
118.06541	1.7
119.08566	0.6
121.10114	1.9
123.11689	0.4
127.03889	0.5
133.10147	1.1
133.14621	0.4
135.04414	20.5
135.11690	0.9
137.05956	1.4
145.02840	12.8
145.03972	0.7
145.06503	0.5
145.07622	1.3
145.10091	0.6
147.08130	0.4
147.09088	2.0
149.13181	0.4
159.09100	0.4
163.03894	100.0
163.11147	0.8
164.04254	2.1
173.07120	2.9
175.08658	1.7
179.80875	0.4
181.04973	0.9
186.05458	0.6
191.08151	25.3
292.88303	0.4
307.08173	1.2
307.12872	7.0
325.09836	1.4
325.14026	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2579
Annotation	Pacificanone B
Peak:m/z	Relative Intensity
53.03939	4.4
55.01859	2.8
55.05261	3.0
55.05508	35.2
57.03420	4.8
57.07063	7.3
59.04993	3.5
67.05175	2.4
67.05505	28.7
69.03417	7.7
69.07066	100.0
71.01337	5.0
71.04992	35.6
71.08604	2.1
71.10022	4.4
78.32846	2.0
79.05490	20.9
81.06584	4.5
81.07055	89.5
83.04967	17.5
83.08619	15.4
85.06511	10.3
91.05476	16.3
93.07039	45.8
94.07317	2.2
95.04449	1.9
95.04946	12.7
95.08600	50.6
97.06540	13.6
97.10169	3.2
99.08081	11.0
105.07029	19.6
107.08588	44.3
109.06510	9.1
109.10152	42.8
111.08055	6.6
111.11712	18.7
117.07000	2.2
119.08571	14.8
121.06509	3.9
121.10139	31.9
123.08053	2.7
123.11707	23.9
125.13287	2.4
127.11169	3.4
131.08528	3.6
133.10127	14.3
135.08076	4.2
135.11696	27.4
137.09593	5.2
137.13246	3.7
139.11205	15.7
143.08490	2.5
145.10133	8.5
147.11681	10.5
149.13243	19.1
151.11137	12.7
153.12726	5.5
159.11697	6.0
161.13292	3.2
163.11160	7.3
165.12750	6.2
173.13312	2.6
175.14813	2.7
177.12694	4.1
177.16371	2.4
181.12270	4.5
215.17953	2.4
269.23001	2.5
287.23691	3.0
305.24741	7.4
323.25903	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	322.1283
Annotation	dehydrohistidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
53.03957	0.7
55.01858	0.8
57.03424	3.0
61.02922	3.8
64.48936	0.6
68.46690	0.6
68.69636	0.6
69.03424	9.5
69.54482	4.9
71.04993	1.5
73.02914	4.1
81.03407	3.0
85.02904	11.6
87.04453	2.7
91.03958	0.9
97.02897	4.8
98.21480	1.3
99.04432	1.8
103.05496	0.8
105.07011	0.6
109.02870	2.1
115.05468	4.0
117.05746	1.0
117.07038	1.9
117.39941	0.6
118.06541	0.6
120.08092	2.0
127.03915	2.9
130.06544	4.2
131.04953	3.2
131.07265	0.7
132.08089	8.3
135.04384	0.7
139.03880	2.7
142.03282	0.9
142.06517	38.4
143.07297	9.2
144.08078	19.4
145.06476	0.8
148.04720	0.8
152.06947	0.7
155.03401	2.1
158.06050	3.5
159.06799	1.8
160.07573	100.0
161.07916	2.6
171.65080	0.6
172.07590	1.1
202.02184	1.1
202.08501	0.8
203.03307	0.8
204.03838	0.9
232.03290	1.0
248.02788	1.5
258.01129	1.3
260.02771	1.1
276.02051	1.3
286.00647	1.2
304.01706	7.0
311.34827	0.8
322.12827	89.2
323.13275	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	323.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
70.17561	25.3
70.17982	43.9
70.84969	11.5
75.58263	12.0
116.38755	14.7
143.13979	12.3
224.77505	13.1
228.50394	13.9
242.55534	15.6
323.07443	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2579
Annotation	Pacificanone B
Peak:m/z	Relative Intensity
50.37302	2.6
55.01855	3.9
55.05511	42.2
57.03423	4.0
57.07073	16.1
59.04990	6.0
59.22842	2.5
59.48663	2.7
67.05503	34.1
69.03431	19.9
69.07068	100.0
70.07389	2.9
70.63909	6.0
70.64288	5.2
71.04988	13.9
71.08616	3.1
76.17129	2.6
79.05496	21.8
81.07056	87.5
83.04980	36.3
83.08614	20.2
85.06525	11.6
91.05481	20.6
93.07043	55.2
95.04951	24.3
95.08606	67.4
97.06520	16.0
97.10133	6.1
98.20735	2.7
99.08092	7.6
105.07020	20.5
107.08594	47.7
109.06505	17.9
109.10166	43.5
111.08073	12.0
111.11716	16.0
111.99215	3.1
117.07013	3.8
119.08614	13.3
121.06525	6.5
121.10111	28.7
123.08071	6.7
123.11687	22.6
125.09657	16.7
129.07051	3.2
131.08565	6.5
133.10127	12.9
135.08112	3.1
135.11679	27.2
137.05992	3.7
137.09578	8.2
137.13234	5.3
139.11188	14.7
143.08617	3.7
145.10144	6.2
147.11641	12.0
149.09679	3.5
149.13280	13.0
151.11186	12.0
153.01834	3.0
153.12793	12.6
157.10164	6.3
159.11716	7.3
161.09653	5.3
163.11200	4.4
165.12749	4.9
167.10683	3.5
169.12248	3.3
173.13229	3.3
177.12727	3.0
181.12338	3.0
187.14832	4.2
189.16388	4.8
203.08578	3.1
205.15724	2.8
231.08054	4.9
280.07126	2.9
287.23563	4.0
291.10104	6.6
305.24661	11.9
323.12671	8.4
323.25726	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	321.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
57.03434	1.4
65.03938	1.8
67.01839	1.3
67.05489	4.8
69.03424	3.1
69.07079	1.8
70.75823	3.5
70.76184	3.1
73.02898	1.7
79.01867	1.5
79.05500	1.4
81.03414	4.0
83.04988	1.5
85.02928	3.3
91.05499	8.7
93.07038	1.4
94.06573	3.0
95.04949	3.5
95.08576	1.4
97.02897	3.1
97.69516	1.3
98.97588	2.8
103.05427	1.6
104.04974	1.6
107.04911	1.5
109.02902	1.6
112.07577	5.4
116.98610	2.0
117.03395	2.5
118.06539	5.2
119.04948	5.4
120.08112	2.4
122.06059	3.8
124.07587	3.1
125.02384	1.4
128.04982	2.1
129.03374	1.8
131.04887	1.5
134.06018	2.1
134.99628	2.0
136.07529	3.3
140.07115	3.0
145.02831	3.9
145.07594	7.1
146.05998	5.6
146.08368	3.7
147.04398	13.3
148.07579	2.6
151.03860	1.7
152.07083	7.2
153.01845	9.3
157.02872	3.5
158.09595	1.6
158.99586	1.6
163.03899	4.0
164.07054	2.2
170.09676	1.5
173.02344	9.7
173.07103	33.1
173.10735	1.8
174.07843	6.5
174.09178	2.0
175.03949	5.9
175.12335	1.8
177.05460	1.9
185.02260	1.7
188.54913	4.2
189.10237	16.9
191.03432	3.1
193.01328	1.8
196.09969	3.4
201.01843	14.5
201.10164	2.1
202.11005	7.1
203.03395	8.3
203.11852	6.7
206.08359	8.3
211.12265	6.5
212.10657	1.6
213.01823	2.6
215.03471	1.5
217.01300	2.0
219.02879	3.9
220.10080	1.9
221.04449	3.5
221.10704	2.3
223.08737	2.6
224.09431	1.8
229.01262	9.7
229.13376	3.5
231.02861	13.4
237.10220	2.5
239.11824	9.1
244.12012	14.1
245.12825	2.0
247.02354	11.7
251.56673	2.6
257.00827	26.2
257.12897	15.4
258.07596	3.6
259.02386	14.2
262.13113	6.7
267.11304	17.1
268.18060	1.5
273.06323	1.8
274.07034	2.8
275.01929	20.3
275.13907	12.5
276.02161	1.9
276.48441	1.4
277.03351	8.0
285.00311	15.5
285.12323	29.4
290.12717	6.9
293.14832	1.6
303.01337	100.0
303.13327	22.6
304.01706	5.4
304.08142	20.9
321.02402	9.4
321.09869	4.7
321.14417	38.9
322.09180	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	321.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.0
55.01879	1.1
55.05503	2.0
56.96572	5.1
57.03441	2.1
58.99865	1.9
61.02930	2.6
65.09033	0.8
67.05515	1.4
69.03423	7.6
69.84443	4.3
71.05015	1.2
73.02930	1.5
79.05473	1.2
81.03410	5.0
83.04974	5.7
84.96074	1.2
85.02900	12.9
87.04481	2.0
91.03966	1.6
97.02896	6.5
98.20897	1.3
98.97585	11.5
99.04501	1.7
101.00879	9.1
103.02471	3.7
105.00380	0.9
109.02911	2.4
110.97604	1.4
111.04472	1.6
112.99151	1.8
113.00902	2.7
113.06039	1.0
115.02415	7.1
116.98603	5.8
117.04030	3.4
117.99355	0.7
119.01920	33.4
120.02054	1.7
121.03482	2.1
125.27428	0.9
127.03983	2.6
128.98604	2.3
129.02286	1.0
129.03999	1.6
131.00232	2.7
131.01892	18.9
131.02805	1.0
131.07062	1.0
132.02003	1.3
133.03462	27.8
134.99664	2.0
135.05028	4.9
137.02963	6.0
141.03920	0.9
143.00217	1.2
143.01886	10.8
145.03464	11.1
145.04607	1.1
145.04971	1.0
146.03607	0.8
146.99684	3.0
147.01469	1.5
147.03352	1.4
147.05035	4.0
149.01259	2.0
149.02963	4.0
151.04503	4.5
155.01880	14.1
156.02730	3.0
157.03467	6.4
158.99719	2.7
159.05025	17.3
160.05173	1.1
160.09735	1.8
161.01453	1.0
161.02963	18.8
161.06677	1.2
163.02850	0.8
163.04588	3.7
167.05563	2.2
168.99846	1.7
169.03409	1.0
171.05008	15.8
171.06302	1.2
173.01469	1.2
173.02956	18.0
173.04303	1.3
173.06601	4.3
174.03613	4.9
175.03008	1.3
175.04471	9.0
177.00809	3.7
177.04378	2.8
177.06168	10.4
178.04918	1.1
179.04079	1.2
183.03925	1.2
183.05136	3.5
184.04810	1.2
185.01476	1.2
185.03044	3.6
185.06693	2.3
187.00896	4.5
187.03006	1.1
187.04666	2.4
189.00705	1.8
189.02550	2.3
189.04420	2.0
189.06059	12.9
189.07498	1.1
191.04095	3.5
193.03836	1.3
195.05357	2.4
195.07285	3.1
197.03061	3.2
199.04514	1.3
201.06047	7.4
203.04037	5.4
203.07782	2.5
205.02028	1.6
205.03885	1.6
205.05664	1.0
211.04613	2.6
213.06024	4.6
215.00340	5.9
219.01874	3.0
219.05344	1.3
219.07156	14.7
220.07404	0.9
221.05051	29.1
222.05345	1.4
229.01923	2.7
231.07187	11.7
232.07422	1.1
233.01471	1.0
233.05209	2.1
233.08800	2.4
237.02869	7.9
239.06107	1.0
240.57294	0.8
243.07312	2.8
245.05107	9.3
246.05260	1.3
247.02968	8.8
255.07208	3.9
257.00967	0.8
257.05173	1.9
259.06699	1.5
261.08246	29.5
262.08530	1.7
263.06323	1.6
265.04141	1.6
273.08389	4.0
279.09235	38.5
280.09555	2.0
302.10910	1.7
303.01508	3.4
304.08267	1.6
315.09296	0.8
321.11404	100.0
322.10590	3.5
339.09821	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	321.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29026	0.6
58.21062	0.6
69.84074	2.5
69.84486	1.5
119.01914	1.8
131.01912	1.2
133.03491	1.8
141.06598	1.5
145.03546	0.7
160.09637	0.8
173.02974	1.2
219.07144	1.5
221.05136	1.0
231.07124	1.2
245.05164	0.8
254.15070	0.6
277.03455	0.8
303.01279	1.7
321.11551	100.0
322.12012	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87807	2.7
56.18332	2.4
56.96578	5.8
58.27502	2.5
64.35072	2.7
70.32469	2.5
71.13283	4.3
71.13602	3.2
74.80490	2.5
80.35670	2.3
86.95339	2.9
101.00903	3.1
111.05570	3.9
119.01958	7.8
141.06618	3.7
173.87766	2.5
219.03664	5.0
221.05115	4.9
232.59320	2.7
247.03143	3.3
279.09329	3.3
303.13342	3.3
321.11707	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48067	0.3
53.93539	0.3
56.96571	2.0
61.02921	0.6
69.03419	0.6
70.93714	0.9
83.04957	0.3
85.02907	0.7
98.97601	0.7
111.05551	0.7
115.02470	0.4
116.98610	0.5
119.01925	2.6
123.05549	0.5
128.98662	0.4
131.01897	0.9
133.03452	1.5
134.99660	0.4
141.06569	0.7
142.44202	0.3
143.01878	0.5
145.03462	0.6
147.05038	0.5
151.04549	0.4
155.02013	0.7
157.03470	0.4
159.06313	0.6
159.07663	0.7
160.09662	0.4
161.01334	0.5
161.02954	0.9
173.02995	1.2
177.00752	0.5
177.06041	0.3
187.00920	0.7
195.07266	0.5
203.04109	0.3
219.01605	0.4
219.03525	0.7
219.07169	1.1
221.05089	0.7
223.01295	1.3
231.07259	1.0
233.08766	0.4
270.45819	0.4
289.03857	0.4
303.01044	0.5
303.06030	0.4
321.11572	100.0
322.11829	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
56.05014	1.5
56.96298	1.7
56.96566	23.2
57.03436	4.2
58.66746	1.7
58.99862	2.0
61.02915	5.6
69.03426	8.4
69.66001	1.6
69.83106	9.0
71.04987	2.3
71.77141	1.6
73.02908	2.5
77.00892	2.2
79.05448	1.7
81.03416	4.9
83.04971	3.4
84.96027	3.3
85.02895	14.4
87.04465	2.5
91.02444	2.8
97.02886	5.7
98.21389	3.5
98.97585	17.0
99.04458	3.8
101.00878	16.4
109.02843	2.2
110.97584	2.5
111.04443	2.9
112.74411	1.7
113.00873	3.3
115.02436	11.1
116.98618	12.5
117.03996	3.2
119.01919	100.0
120.01970	3.3
121.01680	2.4
127.03897	6.2
128.98595	6.3
129.03958	2.7
131.00256	2.9
131.01912	25.6
133.01768	2.8
133.02580	2.7
133.03476	35.8
134.99629	6.5
135.05014	4.1
137.02953	37.5
143.01898	7.6
144.99805	4.1
145.01653	3.4
145.03438	9.9
145.04924	2.6
146.99654	8.4
147.03239	3.2
147.05052	2.9
149.01285	3.9
149.02959	9.5
151.04515	9.5
155.01947	9.5
156.02640	2.0
157.03482	6.1
158.99615	5.8
159.03345	2.3
159.05020	9.6
159.06245	1.8
161.01228	4.4
161.02943	30.3
163.04439	2.3
165.00687	3.0
168.99805	9.4
171.01381	3.0
171.05003	8.9
173.01309	2.5
173.02939	20.6
173.06589	4.0
175.04506	9.0
177.00713	9.3
177.02243	2.7
177.04329	4.3
177.06081	7.5
178.05121	1.8
179.03986	3.8
180.99860	1.8
185.03069	3.2
185.06596	1.6
186.99275	3.0
187.00861	25.3
188.64316	1.7
189.00894	2.5
189.02440	15.5
189.04202	2.6
189.06004	9.0
191.02448	2.5
191.04028	13.1
195.05414	3.7
196.04683	2.3
196.99290	4.7
201.00667	2.4
201.02405	6.6
201.04257	2.3
201.06084	3.1
203.03925	4.7
203.07529	2.3
205.01984	9.7
205.03604	2.2
207.03551	2.8
210.02422	2.0
213.05957	3.2
215.00374	32.1
218.03217	1.6
219.01709	6.8
219.03595	14.7
219.07123	3.5
221.05058	15.9
223.01183	3.5
229.01913	9.2
231.03546	3.4
231.07092	3.0
233.01402	5.1
233.05078	15.7
237.02737	15.5
239.06000	2.7
245.04942	4.5
247.02983	58.9
248.03070	4.0
249.04451	5.4
250.90462	1.8
261.04648	3.0
261.08154	19.2
265.04050	10.3
270.04529	5.3
279.09305	25.5
289.03870	7.9
303.01321	7.1
321.06595	4.2
321.11365	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27084	34.7
56.05024	42.4
56.07692	36.9
58.92283	35.7
70.08868	100.0
70.09261	81.0
79.05498	66.4
81.07053	45.0
81.61961	42.0
91.05475	55.1
107.04939	94.9
169.01395	51.3
191.02650	65.5
302.21057	93.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0239
Annotation	Luteic acid
Peak:m/z	Relative Intensity
53.03947	0.5
53.81227	0.5
67.05492	0.6
68.23330	0.5
70.06567	0.8
70.08318	1.7
70.08718	1.1
71.93196	0.5
79.05491	1.0
80.01300	0.4
81.03403	0.8
89.03934	0.8
91.05468	2.3
102.63426	0.5
103.05449	1.4
117.03362	0.8
119.04942	1.7
129.03354	1.4
131.05002	0.7
133.02806	0.5
137.69565	0.5
145.02873	3.6
147.04416	4.8
157.02901	2.8
163.03912	1.6
167.77048	0.6
173.02327	6.3
175.03905	4.6
183.00793	0.9
185.02348	2.0
187.03812	3.3
191.03418	3.5
201.01851	14.1
203.03394	6.6
205.01251	0.9
213.01872	2.1
215.03384	2.2
217.01263	1.0
219.02890	2.8
219.81053	0.6
221.04282	0.6
229.01288	9.2
231.02853	12.3
241.01314	2.1
247.02377	11.6
257.00803	22.3
259.02380	20.0
275.01862	18.1
277.03473	9.6
285.00317	16.6
285.12216	0.8
303.01340	100.0
304.01691	2.0
321.02368	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	319.2268
Annotation	Ichthyouleolide
Peak:m/z	Relative Intensity
53.03938	4.8
54.97481	2.0
55.05500	16.9
57.03436	4.0
57.07066	5.8
59.53399	2.0
67.05506	35.8
69.03431	9.5
69.07070	27.3
71.04991	7.9
71.58571	2.5
79.05495	30.4
81.03429	3.7
81.06581	5.4
81.07056	100.0
81.53015	2.2
83.04995	7.7
83.08618	9.6
85.02850	2.4
85.06558	11.4
91.05475	24.2
93.07043	58.3
95.04948	18.1
95.08606	65.2
97.06524	9.2
97.10181	8.1
99.04442	5.7
99.08112	3.0
101.06059	3.4
105.04507	2.9
105.07030	39.4
107.04939	4.7
107.08600	50.9
107.09299	4.0
109.02869	3.8
109.06522	15.8
109.10165	42.0
111.08095	7.1
115.05391	2.6
117.07036	7.1
119.08588	30.8
121.06522	7.5
121.10149	48.5
123.08086	10.3
123.11702	21.0
124.91603	2.4
125.09621	5.8
127.07580	2.8
129.07021	5.6
131.08574	14.7
133.10138	23.3
135.08112	7.7
135.11700	32.0
136.12030	2.8
137.05968	3.5
137.09601	7.8
137.12321	2.0
137.13225	12.6
139.11200	3.7
141.07004	2.7
142.07797	2.9
143.08609	8.6
144.09435	2.7
145.10130	20.8
147.08083	4.8
147.11716	20.7
149.09621	12.1
149.13254	15.9
151.03899	2.7
151.07512	2.5
151.11201	5.5
153.09102	2.6
157.10144	9.4
159.08047	3.4
159.11685	25.2
161.09602	8.4
161.13275	9.2
163.11186	9.0
163.14894	5.7
165.12701	2.9
167.10695	3.6
169.01152	2.8
169.10107	4.3
171.11687	8.8
173.09518	3.3
173.13297	6.3
175.11223	8.2
175.14853	4.4
177.05486	4.0
177.09152	3.0
177.12717	7.0
177.16406	3.8
181.12207	2.9
183.11705	5.1
185.09610	2.6
185.13341	9.2
187.14799	5.9
189.12750	5.2
189.16397	2.6
191.14264	2.7
193.15991	2.7
195.36688	2.4
197.13234	4.5
199.14859	8.9
203.14247	2.9
207.13739	2.8
213.12881	3.3
213.16402	2.9
225.16333	2.4
227.14287	4.0
227.17931	6.2
231.08092	2.9
232.19632	2.5
239.18091	2.4
255.21129	2.8
259.17130	3.1
273.22244	2.4
276.07797	2.7
283.20654	10.7
283.23917	2.8
301.18338	4.5
301.21622	18.7
301.25024	4.3
319.04514	5.4
319.11765	8.1
319.15427	3.2
319.19009	6.0
319.22696	32.9
319.26370	20.4
319.30008	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	319.2266
Annotation	11R-HEPE
Peak:m/z	Relative Intensity
53.03934	6.1
55.05510	19.5
57.03434	4.1
57.07062	5.7
59.37617	2.4
60.01680	2.4
65.03905	3.9
67.05502	32.4
69.03423	10.5
69.07069	21.3
69.76336	14.3
69.76743	5.7
71.04996	6.3
79.05092	3.6
79.05489	25.4
81.03427	3.7
81.06586	5.3
81.07053	94.0
83.04964	7.0
83.08611	4.3
85.06529	6.4
91.05476	32.1
93.07040	100.0
95.04964	13.8
95.08605	51.9
97.06517	11.9
97.10179	4.7
99.04446	3.0
105.07024	42.6
107.08595	41.4
109.06508	11.9
109.10133	19.4
111.08074	6.4
112.34583	2.9
115.05492	2.6
116.20653	2.6
117.07024	6.8
117.20740	2.7
119.08585	41.9
121.06525	3.4
121.10133	38.3
123.08060	15.6
123.11689	38.3
125.05969	4.9
125.09618	5.4
128.06194	5.2
129.06975	6.5
130.07758	3.5
131.08575	17.2
133.10127	33.6
135.08031	12.3
135.11716	14.4
137.09607	11.7
139.11105	4.3
141.07068	2.7
142.07793	5.0
143.08557	8.0
144.09415	3.0
145.10118	25.9
147.08043	5.8
147.11699	20.6
149.09610	22.7
149.13200	4.4
151.11176	39.1
153.01816	4.9
155.08513	3.8
157.10120	15.9
159.11685	28.3
161.09584	5.0
161.13245	24.8
163.11147	17.7
165.12759	3.7
167.10645	8.9
169.10153	5.2
171.11668	12.9
173.13271	6.9
175.11223	17.3
177.12708	7.3
179.10625	4.4
181.10144	3.8
183.11729	6.0
185.13280	10.4
187.11201	3.2
187.14786	5.2
189.12759	3.8
193.10144	2.9
197.13202	7.8
199.14828	8.7
201.12738	4.9
203.14297	3.9
209.13228	8.4
211.14850	3.3
213.16322	7.2
215.14288	4.4
223.14850	3.3
225.16449	7.4
227.17964	5.1
233.15277	4.0
241.15895	6.6
243.17520	5.7
245.18935	4.8
255.21130	9.3
259.16812	4.7
265.19647	3.4
273.03604	3.0
283.20508	15.5
301.21603	32.0
319.04303	7.2
319.07364	8.6
319.11725	2.8
319.22614	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	319.2266
Annotation	11-oxo-ETE
Peak:m/z	Relative Intensity
53.03934	3.0
55.01849	4.7
55.05511	17.7
57.03434	12.4
57.07055	3.8
59.04972	2.9
62.86003	2.8
67.05177	4.0
67.05504	41.4
69.03434	5.0
69.07063	18.6
69.11943	2.4
69.40747	15.6
69.41171	10.4
71.04987	4.7
79.05498	26.9
81.07054	79.8
83.04990	2.8
83.08612	11.5
85.06547	6.9
88.58215	2.6
91.05473	22.4
93.07037	90.8
95.04964	11.7
95.08601	100.0
97.06507	10.7
99.08073	11.9
105.07027	36.0
107.05003	3.4
107.08587	54.0
109.06510	13.0
109.10145	64.3
111.08080	5.2
112.11461	2.9
114.02832	2.5
117.06995	4.2
119.08589	22.7
121.06480	7.3
121.10136	66.6
123.08056	46.1
123.11707	42.4
127.07542	9.2
131.08540	16.6
131.30653	2.6
133.10120	33.1
135.08063	7.6
135.11667	20.2
137.05983	3.9
137.09587	21.4
139.07545	3.1
139.11209	3.2
141.09126	4.3
143.08598	6.0
145.10100	15.6
147.08017	4.3
147.11708	15.9
149.09608	77.3
149.13222	6.1
151.11168	55.0
153.12737	4.0
157.10063	6.1
159.11647	12.9
161.09654	6.5
161.13272	9.2
163.11191	11.8
163.14825	6.9
165.12715	8.0
167.10561	2.9
169.12265	8.5
169.36441	2.7
171.11740	5.6
173.13257	9.5
175.11067	2.6
175.14839	6.3
177.12743	17.9
179.10675	51.9
179.14276	34.3
183.11693	3.4
185.13251	8.0
187.14809	4.4
191.14268	7.0
196.78877	2.5
197.11728	10.1
199.14847	6.4
201.16367	4.5
203.14378	3.5
205.15875	3.1
227.17961	2.9
241.19478	7.5
244.73022	2.5
245.19012	3.3
255.21060	5.3
257.22610	3.4
259.16852	3.6
273.22165	8.8
283.20657	5.3
301.21634	33.2
319.11737	3.1
319.22668	93.4
320.22665	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	319.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95957	8.0
53.03935	10.6
55.01860	12.6
55.05499	31.8
57.03433	8.5
57.07065	17.5
58.92329	8.2
67.05491	32.2
69.03423	15.7
69.07056	31.3
70.49723	15.4
71.04991	13.7
75.88654	7.1
79.05493	45.5
81.03399	8.8
81.07051	100.0
83.04951	13.5
83.08616	17.3
85.02906	14.7
85.06528	20.5
91.05458	39.7
93.07029	99.9
94.23507	6.6
95.04953	28.4
95.08620	52.2
95.64242	8.8
97.06490	25.8
97.10154	13.5
99.04440	9.5
100.11246	14.7
103.05471	9.2
105.07020	49.2
107.08589	56.9
109.02940	11.3
109.06499	25.6
109.10165	30.7
111.04461	10.0
111.08068	10.2
117.07013	17.4
119.08569	28.1
121.06496	16.6
121.10123	27.0
123.08091	10.2
123.11694	22.4
128.25645	8.2
129.07010	16.5
131.04848	7.5
131.08548	24.4
133.10146	18.7
135.08017	18.4
137.05966	10.4
137.09633	16.8
139.07526	28.2
143.08571	18.0
145.10135	32.7
147.08046	8.7
147.11678	22.3
149.09624	17.1
149.13263	14.8
151.11226	13.7
153.01843	8.8
157.10123	21.1
159.11697	21.7
161.09685	10.2
163.11230	8.2
163.14743	7.7
171.11693	11.7
173.13194	11.3
184.16962	14.0
255.21185	11.6
266.61166	8.5
283.20612	14.9
301.21649	37.0
319.04300	15.0
319.12079	11.1
319.22589	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91603	2.2
53.03933	7.0
55.01868	10.8
55.05266	3.1
55.05513	43.5
57.03428	5.9
61.02931	4.6
64.85816	2.2
65.03938	15.2
67.05505	28.8
68.86240	1.9
69.03432	21.8
69.07064	21.4
69.22714	2.3
70.04044	8.3
71.01350	2.2
71.05006	12.5
73.02925	2.7
79.05498	31.2
81.03421	9.6
81.05772	3.1
81.07052	31.8
83.04983	26.5
83.08617	35.0
84.70322	2.7
85.02903	19.4
85.06542	5.9
86.09682	2.6
87.04458	4.6
91.05479	21.0
92.05001	11.6
93.07043	27.9
95.01327	13.8
95.04958	17.6
95.08600	10.2
96.08118	6.7
97.02899	9.6
97.06528	28.2
99.04460	3.4
103.03957	2.8
105.07021	13.7
107.03626	2.3
107.04991	10.4
107.07942	2.4
107.08591	8.0
109.02902	5.7
109.06525	19.1
111.04431	17.3
111.08066	13.4
113.02394	2.6
113.06022	4.5
115.05460	2.9
117.07011	5.2
119.08627	5.3
121.06508	5.2
121.10145	4.4
122.06024	5.2
123.04433	22.7
123.08098	3.9
124.07613	6.3
125.02341	2.7
125.05986	14.2
126.09155	19.4
127.03921	5.9
127.07512	4.4
128.06195	2.3
129.09109	5.8
131.08539	2.2
133.02858	2.3
133.06519	4.5
133.10152	5.4
135.04417	9.0
135.08089	3.0
137.05977	39.6
138.09158	5.2
139.03905	9.1
139.07530	5.3
145.10081	3.9
147.04381	2.8
147.11679	3.3
148.03928	2.8
149.06006	7.7
150.05486	2.8
151.03909	2.9
151.07535	8.8
151.11174	2.8
152.07074	48.3
153.01854	3.0
155.07021	14.8
157.05026	2.8
157.07545	3.0
157.08690	5.0
157.09894	3.2
161.02312	2.8
161.09694	2.9
163.03914	15.3
163.07600	4.5
163.11171	3.4
166.04996	100.0
171.13864	5.2
173.08226	2.4
176.03407	15.7
177.05479	3.3
179.10719	5.3
182.04512	16.3
185.06996	2.7
189.01837	4.9
191.03397	3.1
193.12213	3.3
194.04521	10.0
199.08694	3.3
200.10811	6.0
201.01816	2.3
207.02962	3.6
211.08817	3.7
211.13300	33.7
212.09390	6.5
217.01523	2.6
218.97299	2.3
223.13268	17.9
225.10284	5.7
225.14957	3.7
227.08076	3.3
227.11804	8.4
228.10182	6.8
229.14404	33.1
233.09236	6.0
235.13295	3.1
239.08295	2.7
239.12749	2.5
240.09000	8.5
241.09753	3.3
241.14365	8.4
247.13359	5.7
253.09650	5.6
253.14302	3.0
255.11249	8.5
257.09225	5.2
257.12964	3.8
259.07217	6.9
259.11926	2.9
261.12357	4.8
263.01840	3.1
265.14331	24.6
270.09979	3.2
271.10876	12.4
271.15671	2.8
273.00177	2.8
273.12332	5.2
277.12939	9.4
283.10773	79.4
283.15405	38.9
284.11389	4.0
289.11807	14.1
300.99948	3.1
301.11832	63.6
301.16458	47.3
302.12326	6.8
319.00815	17.7
319.12805	53.9
319.16125	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	319.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	7.0
53.03942	7.8
55.05516	11.5
57.39338	5.1
65.03940	5.0
65.97717	5.0
67.05509	9.1
68.91925	5.1
69.03423	15.1
70.63367	4.6
71.04970	6.2
71.56799	9.8
79.05492	30.8
81.03410	11.4
81.07043	5.1
83.04967	15.8
85.02904	21.4
91.05500	15.6
93.07037	22.3
95.04947	14.6
109.06525	6.3
111.04479	10.7
111.08073	14.7
127.03925	7.1
128.76299	5.4
133.02809	6.9
137.02292	6.9
139.03854	5.1
139.07544	15.3
152.07098	9.1
156.10181	8.0
157.08704	5.6
157.10550	10.4
161.06076	5.4
163.03957	15.2
165.34920	5.5
166.05032	13.1
182.51642	5.3
189.01750	8.7
191.03308	5.9
207.02946	11.0
217.01244	11.4
221.00909	5.6
226.11072	6.0
227.11838	9.9
234.99001	6.2
235.02333	10.1
245.00839	9.6
245.05081	4.8
247.02373	6.5
255.11330	13.6
263.01755	7.5
270.10046	18.6
271.10568	5.5
272.11545	18.2
273.00433	8.2
273.12286	9.5
277.12946	9.1
283.10852	11.3
301.11841	100.0
302.12369	14.2
319.00848	36.0
319.04321	11.8
319.12784	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	7.0
53.03942	7.8
55.05516	11.5
57.39338	5.1
65.03940	5.0
65.97717	5.0
67.05509	9.1
68.91925	5.1
69.03423	15.1
70.63367	4.6
71.04970	6.2
71.56799	9.8
79.05492	30.8
81.03410	11.4
81.07043	5.1
83.04967	15.8
85.02904	21.4
91.05500	15.6
93.07037	22.3
95.04947	14.6
109.06525	6.3
111.04479	10.7
111.08073	14.7
127.03925	7.1
128.76299	5.4
133.02809	6.9
137.02292	6.9
139.03854	5.1
139.07544	15.3
152.07098	9.1
156.10181	8.0
157.08704	5.6
157.10550	10.4
161.06076	5.4
163.03957	15.2
165.34920	5.5
166.05032	13.1
182.51642	5.3
189.01750	8.7
191.03308	5.9
207.02946	11.0
217.01244	11.4
221.00909	5.6
226.11072	6.0
227.11838	9.9
234.99001	6.2
235.02333	10.1
245.00839	9.6
245.05081	4.8
247.02373	6.5
255.11330	13.6
263.01755	7.5
270.10046	18.6
271.10568	5.5
272.11545	18.2
273.00433	8.2
273.12286	9.5
277.12946	9.1
283.10852	11.3
301.11841	100.0
302.12369	14.2
319.00848	36.0
319.04321	11.8
319.12784	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01884	2.0
55.05513	8.8
56.05051	0.8
57.03444	1.6
61.02942	0.9
63.31948	0.6
65.03939	10.2
67.05501	4.3
69.03438	3.8
69.07075	3.2
70.06320	3.4
71.01367	0.7
71.05007	2.6
76.41764	0.6
79.05500	8.3
80.05018	1.1
81.03436	2.7
81.05804	1.5
81.07069	6.7
83.04980	4.6
83.08610	6.0
85.02911	3.1
85.06544	0.9
87.04498	0.8
91.05496	4.0
92.05006	12.0
93.03413	1.1
93.07051	5.7
94.06564	1.2
95.01338	2.4
95.04967	4.1
95.08610	1.7
96.08131	10.4
97.02906	2.1
97.06529	6.6
103.05492	0.9
105.07039	2.5
106.06551	0.7
107.04943	2.3
107.08602	2.6
108.08166	0.7
109.02867	1.0
109.06518	3.2
110.06079	1.0
111.04433	3.3
111.08090	2.5
113.05984	1.5
113.07161	0.7
117.07041	1.0
119.08615	0.7
120.04491	2.1
121.06525	1.1
121.66863	0.6
122.06053	2.5
122.09676	1.1
123.04417	4.7
123.08092	0.9
124.07597	8.4
125.06023	1.9
125.08308	1.0
126.09158	15.8
127.03908	0.7
129.07031	0.9
130.06575	0.8
133.06503	1.3
133.10120	1.3
134.06018	1.2
135.04459	1.7
135.08035	1.0
137.02353	1.3
137.05946	6.0
138.05508	1.4
138.09158	5.4
139.03946	1.4
146.06029	1.1
148.03947	3.1
149.05989	1.4
150.05539	3.3
151.07552	1.8
152.07069	47.1
153.07379	1.4
155.07147	1.5
157.08803	0.9
163.03905	3.7
163.07515	0.9
164.03355	1.3
166.05000	100.0
167.05310	3.1
169.07603	1.1
170.08366	0.7
171.09225	1.4
174.09195	1.0
176.03426	16.4
177.03914	0.9
178.04926	0.9
182.04498	16.9
182.08287	1.3
182.09712	1.0
183.09180	1.2
184.06140	0.9
184.07620	1.0
184.09932	1.7
185.08372	1.7
185.10725	1.9
187.08702	0.8
194.04485	11.5
194.08267	0.9
197.07092	0.9
198.07845	2.6
198.09409	0.9
199.08594	4.1
200.10803	3.6
207.02742	1.2
209.10622	1.4
211.08629	3.4
211.13388	5.5
212.09262	5.5
213.06465	0.9
213.10182	2.3
215.08076	1.4
215.11511	0.7
217.01320	0.9
223.13297	2.5
225.06577	1.1
225.10184	5.1
226.08751	1.2
226.10849	1.5
227.08128	2.9
227.11763	8.5
228.10141	4.4
228.12186	1.1
229.14526	4.2
230.08162	1.3
231.07643	2.8
233.09193	5.4
237.10197	1.4
239.08185	2.3
240.08887	7.1
241.09683	2.6
242.10440	1.9
243.11287	2.1
244.08482	1.3
245.00873	0.9
245.09213	0.9
245.12708	0.8
247.02267	1.4
253.09706	5.3
254.08101	2.3
255.08450	0.9
255.11256	8.1
257.09195	5.4
257.12860	3.1
259.07199	5.5
259.11960	1.1
261.12305	4.7
263.01892	1.1
265.14294	3.9
270.09888	3.2
271.10791	19.8
272.09033	3.0
273.00278	1.1
273.03741	1.1
273.08719	2.4
273.12247	4.3
275.13806	1.0
277.12936	6.3
281.74915	0.7
283.10782	72.9
283.15265	7.4
284.11160	3.0
288.10989	2.5
289.11829	11.3
290.12531	0.7
291.13281	1.0
301.11835	59.5
301.16321	5.8
302.12378	6.0
319.00714	2.9
319.12799	48.8
320.13281	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	319.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
55.01849	2.8
55.05505	9.1
57.03429	2.1
61.02924	0.9
61.47736	0.8
61.58901	0.8
64.63636	0.9
65.03933	10.5
67.05510	6.8
69.03422	6.2
69.07076	4.8
70.06570	1.1
70.26656	4.0
71.04990	2.5
76.06592	0.8
77.03927	1.0
79.05484	7.7
80.68916	0.8
81.03391	3.2
81.05806	2.2
81.07059	6.8
83.04984	6.4
83.08620	6.5
85.02894	4.8
85.06548	1.0
85.27861	1.0
91.05473	6.4
92.04991	11.2
92.77510	1.1
93.07039	6.6
94.06580	1.5
95.01295	2.4
95.04972	4.3
95.08629	1.7
96.04490	1.1
96.08121	8.9
97.02850	2.8
97.06536	6.5
99.04428	1.2
105.07005	2.8
107.04931	1.9
107.08586	2.4
109.06483	4.9
110.06008	1.7
111.04416	3.1
111.08097	4.2
117.07001	1.8
119.08586	2.0
120.04454	1.8
120.07935	0.9
121.06457	1.3
122.06004	2.5
123.04406	5.3
124.07584	7.9
125.05975	2.6
126.09153	13.0
127.03907	1.8
127.07568	1.2
129.06995	1.1
129.09091	0.9
131.08513	1.5
132.04466	1.2
133.10147	1.0
134.05971	1.8
135.04439	1.3
137.05981	6.7
138.05495	1.5
138.09117	3.8
139.03889	2.9
139.07530	1.0
140.07043	1.0
148.03958	2.7
149.05910	3.5
150.05466	1.8
150.09125	1.4
151.03923	0.9
151.07501	1.2
152.07063	49.6
155.07022	3.2
157.08646	1.7
157.09790	1.7
163.03864	3.8
163.07559	1.1
163.11201	0.9
164.03371	1.8
166.04994	100.0
167.05319	2.1
167.07132	1.4
171.09216	1.7
174.09039	1.2
176.03419	15.5
178.04994	1.0
182.04491	17.5
184.07562	1.5
184.09906	2.7
185.06972	1.1
187.08627	1.2
189.01700	1.0
193.12309	1.1
193.16129	1.1
194.04469	12.2
198.07834	3.3
199.08626	2.0
200.10783	5.1
201.10287	1.3
210.09290	0.9
211.08629	3.6
211.13380	5.8
212.09370	6.7
213.10071	2.0
214.10889	1.5
215.07918	1.6
223.13257	3.1
225.10248	4.4
226.10834	1.6
227.08038	3.0
227.11705	6.6
228.10188	6.0
229.09692	1.0
229.14449	5.1
231.07681	1.2
233.09084	5.6
235.02408	1.4
239.07985	2.4
240.08768	6.6
241.09648	4.3
242.10570	2.2
243.11241	1.1
245.00801	1.2
245.09212	2.0
247.02325	1.3
253.09749	5.1
253.14331	1.9
255.11287	8.2
257.09256	5.7
257.12793	2.2
259.07239	4.9
259.11795	1.5
261.12366	3.1
263.01852	2.4
265.14276	4.1
270.09869	2.4
271.10776	15.5
272.09012	1.6
273.00211	1.9
273.08823	1.2
273.12234	3.2
277.12943	3.6
283.10767	71.2
283.15302	8.7
284.11084	4.0
288.11121	2.0
289.11804	10.9
290.12119	1.0
301.11826	61.2
301.16296	8.6
302.12289	4.8
319.00635	3.9
319.04291	1.5
319.12799	51.6
320.13025	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1022
Annotation	Opuntioside I
Peak:m/z	Relative Intensity
53.03938	3.6
55.01861	2.9
55.05510	20.9
56.05820	1.0
57.03424	3.4
57.48271	1.2
61.02917	1.2
65.03945	6.7
67.01853	2.5
67.05509	6.3
68.99792	1.0
69.03429	33.8
69.93179	5.2
71.04978	2.4
72.42162	0.9
73.02930	1.8
79.03590	1.0
81.02985	1.6
81.03419	21.7
83.04980	100.0
85.02900	22.9
93.03404	5.8
95.04991	1.2
95.51392	1.1
97.02894	11.3
97.06521	7.4
99.04454	3.0
107.04934	1.4
109.02885	11.0
111.04440	47.5
121.02865	7.1
127.03911	9.1
129.05470	2.0
139.03896	34.4
139.07562	2.1
145.04958	1.7
157.04968	20.4
157.08656	1.3
161.02292	1.4
163.03906	1.0
189.01776	1.7
190.74820	1.0
247.02434	2.3
255.08681	9.6
263.01807	1.6
273.00342	1.7
273.09686	2.4
283.08118	3.4
295.16281	1.1
301.09177	2.9
319.00842	7.2
319.10147	3.3
319.13284	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01860	2.1
55.05508	3.0
55.05720	0.6
57.03433	0.6
57.34102	0.6
65.03931	2.9
67.01860	0.8
67.05508	4.5
68.99783	6.5
69.03413	1.9
69.07060	3.1
69.40470	2.3
69.40899	3.2
71.04973	1.2
75.82883	0.6
77.07615	0.5
79.01847	1.0
79.05487	3.4
81.03407	1.9
81.05779	0.7
81.07053	5.2
83.04973	2.4
83.08610	1.6
85.02893	1.3
85.06531	1.2
89.03893	1.4
91.05478	4.8
93.03386	1.3
93.07056	4.0
95.01321	0.9
95.04944	3.6
95.08598	2.2
96.08116	2.2
97.02874	1.6
97.06510	1.4
99.08083	0.9
103.05455	1.0
105.03391	0.7
105.07043	3.3
107.04935	1.3
107.08599	1.9
108.02104	1.4
109.02882	5.7
109.06526	1.6
109.10130	0.8
111.00796	6.8
111.04443	2.4
111.08073	0.9
115.05442	1.1
117.03373	1.7
117.07045	1.1
119.08576	2.3
121.06519	3.0
121.10148	1.8
123.08078	0.6
124.07590	10.8
125.02333	0.9
127.03919	1.4
128.06194	0.6
131.04913	0.8
131.08575	1.7
133.02794	0.7
133.06512	1.8
133.10121	1.6
134.03603	1.4
135.04367	1.8
135.08075	1.0
135.11656	0.7
137.02324	7.3
137.05954	5.8
139.03928	1.2
141.05461	2.3
141.07007	1.2
143.08557	1.5
145.10092	1.7
147.04399	1.3
147.07993	0.9
147.11691	1.4
149.05974	43.2
149.09502	0.9
151.03908	44.6
151.05034	4.7
151.07510	1.7
152.04170	0.7
152.06233	0.8
152.44466	0.7
153.01820	28.8
153.05505	1.3
153.06966	4.0
155.04910	0.7
157.10074	1.1
161.02489	0.8
161.05981	2.3
165.01830	8.2
166.02576	1.2
167.03323	0.7
167.07057	0.7
171.04385	1.0
173.09549	0.9
173.13318	1.1
175.03923	0.8
177.05464	55.3
179.03386	4.6
181.06476	5.8
183.02895	2.5
189.01711	0.8
189.05510	2.7
191.14265	0.9
195.02863	1.7
195.07999	0.8
199.03946	1.6
203.03433	1.7
207.02895	1.1
209.05981	2.6
209.15442	0.9
213.09114	3.6
217.04959	9.1
221.04480	1.0
224.08221	0.7
226.06348	0.9
227.03468	1.1
227.07115	0.8
231.02901	0.7
233.83899	0.6
241.08521	3.5
241.30759	0.7
244.03687	1.7
245.04422	10.6
255.02892	1.4
263.05502	1.9
269.08008	0.8
273.03903	11.3
273.11157	6.6
290.04214	3.1
301.03506	1.7
301.07574	0.9
301.10727	4.4
301.18314	0.6
301.21576	1.4
319.04474	100.0
319.22556	4.4
320.04764	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01047	4.3
55.01880	7.4
55.05510	7.4
56.96295	5.6
56.96566	86.3
57.03429	13.9
57.97408	4.2
61.02923	26.3
69.03414	17.9
70.63390	11.9
70.98102	4.5
73.02910	13.6
81.03400	6.4
83.04982	9.5
84.96007	4.7
85.02911	27.9
97.02893	20.2
97.06544	6.4
98.97581	31.6
99.04459	7.5
100.99134	5.0
103.02434	7.1
110.01305	7.4
110.83545	4.3
110.97561	6.3
112.51854	3.9
116.98615	25.9
117.01869	3.8
119.00124	4.6
119.01869	37.4
121.01627	5.3
126.02644	4.2
126.97081	4.6
127.03905	16.5
128.02309	27.0
128.98611	18.6
131.01903	10.8
133.01614	6.6
133.03505	4.8
134.99693	10.6
135.03186	7.6
137.02834	9.9
139.03906	6.6
143.00145	5.2
144.98141	5.4
145.03468	18.5
146.99670	21.1
147.01369	7.6
149.01170	5.1
149.02979	5.0
153.01836	37.4
155.01930	4.9
157.04852	9.4
158.99666	6.2
160.13344	16.3
160.97597	6.5
161.01195	8.3
161.02980	20.4
162.01814	6.6
162.99168	9.8
163.04529	5.7
165.00714	12.2
170.99782	9.2
173.01436	4.8
173.02992	12.1
174.66568	3.8
174.99097	5.4
177.00713	12.0
177.02277	5.9
183.02524	4.7
184.03023	6.1
189.00729	9.8
190.98627	13.6
191.03874	10.1
192.02812	6.3
193.00226	15.4
199.03758	5.0
203.03920	4.9
204.52864	4.6
206.98206	9.0
207.01749	5.3
207.03491	9.3
207.05389	5.1
208.99677	24.1
213.03354	22.5
213.53535	12.6
214.03593	5.6
217.01945	9.1
219.01810	16.7
220.04207	18.9
220.99571	4.7
221.05125	7.6
222.03845	12.3
230.54634	5.3
237.02820	9.8
243.03380	5.6
257.04947	4.8
262.14545	4.8
263.00638	5.6
301.08755	6.1
301.11887	9.4
319.09964	100.0
319.13397	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.045
Annotation	5'-Hydroxymorin
Peak:m/z	Relative Intensity
55.01863	1.3
55.05491	0.7
64.80189	0.2
65.03928	0.5
67.05499	0.6
68.99440	0.3
68.99786	3.7
69.03413	0.6
69.07057	0.5
71.01360	0.3
71.04989	0.3
71.57652	0.4
79.01828	0.6
79.05481	0.5
81.03423	2.1
81.07047	0.9
83.04994	0.6
83.08599	0.8
85.06532	0.3
91.05480	1.0
93.03363	0.7
93.07032	0.9
95.01337	0.8
95.04986	1.4
95.05470	0.3
95.08615	0.4
97.02892	0.4
97.06522	0.2
103.05474	0.4
105.03375	0.3
105.07017	1.0
107.01313	0.4
107.04948	0.5
107.08604	0.5
109.02885	1.7
111.00779	1.1
111.04446	0.8
113.02340	0.3
115.05453	1.5
119.04976	0.4
119.08590	0.3
121.02837	1.7
121.06477	0.6
123.00789	2.1
123.04436	1.8
125.02357	1.5
127.03945	1.4
131.08566	0.4
133.02831	0.8
133.06444	0.5
133.10127	0.4
135.04358	0.5
137.02348	18.4
137.03403	1.5
138.02702	0.4
139.00232	0.7
139.03955	0.3
141.01855	0.4
142.02603	0.3
143.04887	0.7
145.06482	0.4
147.04433	2.3
149.02342	0.5
150.03163	0.4
151.00264	0.5
151.03922	0.4
153.01825	8.2
160.07547	0.2
161.02394	0.3
161.05994	1.2
163.03835	0.6
165.01819	2.0
166.02600	0.3
169.01326	9.7
169.02785	0.5
171.02962	0.5
171.04375	3.5
173.13307	0.5
175.03909	1.7
177.05434	0.5
179.03375	0.9
181.01321	2.2
182.02005	0.4
183.02914	0.7
185.00780	0.6
189.05510	2.0
195.02881	0.9
199.03877	3.8
201.05461	0.5
203.03401	1.4
207.02956	0.5
217.04941	4.3
221.04463	0.6
227.03395	2.7
229.05051	0.4
235.05956	0.5
236.31053	0.3
244.03612	0.5
245.04468	8.4
246.04771	0.3
248.03078	0.3
249.04066	0.5
255.02969	1.8
255.05307	0.3
257.04385	0.4
263.05536	1.7
272.03162	0.3
273.03934	16.5
274.04242	0.4
283.02457	0.5
284.03052	0.4
290.04205	0.9
291.04916	0.8
300.99988	0.5
301.03433	9.5
302.03845	0.8
319.04480	100.0
319.22742	1.3
320.04922	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	319.0446
Annotation	5'-Hydroxymorin
Peak:m/z	Relative Intensity
53.03939	0.4
55.01865	1.4
55.05498	0.9
57.03413	0.3
58.18920	0.2
65.03930	0.6
66.34279	0.2
67.05503	1.2
68.99442	0.2
68.99788	4.0
69.03416	0.4
69.07076	1.0
69.37415	0.5
69.37814	1.7
70.58315	0.2
71.01324	0.4
71.04976	0.4
79.01836	0.5
79.05478	0.9
81.03417	1.9
81.07044	1.8
82.67123	0.2
83.04957	0.6
83.08607	0.7
85.02899	0.5
85.06515	0.6
91.05494	1.4
93.03396	0.6
93.07037	1.1
95.01326	1.0
95.04971	1.2
95.08588	0.8
97.02876	0.6
97.06520	0.2
103.05402	0.3
105.03381	0.4
105.07030	1.1
107.01314	0.5
107.04952	0.7
107.08566	0.6
109.02886	1.7
109.06474	0.3
109.10140	0.4
111.00781	0.9
111.04417	0.5
111.08098	0.3
113.02411	0.3
115.05447	1.3
117.07022	0.3
119.04918	0.5
119.08579	0.7
121.02869	1.8
121.06480	0.7
121.10108	0.4
123.00788	1.5
123.04427	1.4
125.02341	1.0
125.09629	0.2
127.00272	0.3
127.03909	0.9
128.06212	0.3
129.07010	0.3
131.04927	0.4
131.08553	0.6
132.51489	0.2
133.02846	0.8
133.06462	0.5
133.10103	0.6
135.04350	0.3
135.08006	0.4
135.11729	0.2
137.02342	18.3
137.03407	1.7
138.02728	0.3
139.00241	0.5
139.03908	0.4
141.01802	0.8
142.02525	0.3
143.03371	0.4
143.04907	0.9
143.08563	0.3
145.06435	0.5
145.10118	0.6
147.04390	2.0
147.11697	0.4
149.02368	0.4
149.05968	0.3
150.03098	0.6
151.00266	0.8
151.03903	0.6
153.01817	8.8
154.02267	0.2
157.02834	0.2
159.11667	0.4
161.02312	0.4
161.05984	1.2
161.13321	0.2
163.03928	0.7
163.11223	0.3
165.01846	2.6
166.02536	0.2
169.01320	9.4
169.10260	0.3
171.02896	0.8
171.04408	3.7
173.06065	0.2
173.13261	0.2
175.03865	1.3
175.11172	0.2
177.05476	0.7
179.03351	1.1
181.01309	2.6
182.02061	0.3
183.02910	0.7
185.00822	0.7
185.13181	0.3
187.03871	0.3
187.11198	0.3
189.05473	2.3
193.05045	0.2
195.02850	0.9
199.03894	4.0
199.14735	0.3
203.03374	1.4
203.81099	0.3
207.02859	0.6
211.02370	0.3
217.04979	4.5
221.04454	0.6
227.03389	2.5
229.04948	0.5
231.02879	0.4
232.03569	0.3
235.02359	0.3
235.05994	0.5
244.03612	0.4
245.04440	8.3
246.04732	0.4
249.03897	0.6
249.91208	0.2
255.02892	1.7
256.03635	0.2
263.05563	1.1
272.03149	0.3
273.03925	17.1
274.04324	0.9
274.07150	0.2
283.02386	0.9
284.03067	0.3
290.04111	1.0
291.04932	0.4
301.03430	11.1
301.21661	0.7
302.03888	0.9
319.04465	100.0
319.22583	1.6
320.04825	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2474
Annotation	Cannabigerol
Peak:m/z	Relative Intensity
55.05513	20.4
57.07077	6.4
67.05503	23.1
69.07065	37.8
71.58587	5.4
79.05486	13.0
81.07048	42.9
83.05008	4.0
83.08607	15.6
85.06512	2.9
91.05482	12.2
93.07042	27.3
95.08602	62.6
97.10146	3.0
105.07022	26.7
107.08594	45.3
107.54880	3.2
109.06552	4.0
109.10155	34.8
111.11709	6.9
119.08594	39.0
121.06499	3.2
121.10137	44.8
123.08058	4.2
123.11694	18.9
125.09601	5.3
131.08559	8.9
133.10132	30.0
135.08028	8.3
135.11668	15.4
137.09677	3.1
137.13283	14.6
145.10106	14.2
147.08066	3.9
147.11691	23.1
149.09579	2.9
149.13222	9.2
151.14873	3.4
153.09131	7.5
157.10098	5.5
159.11693	10.2
161.13269	11.8
163.11258	3.9
163.14822	12.4
165.09065	3.8
171.11737	4.8
173.09669	3.7
173.13321	9.0
175.14807	9.7
177.16383	5.9
179.10696	5.3
181.12190	3.9
185.13295	5.7
187.14851	13.1
189.16373	13.5
191.17924	3.5
193.12218	6.8
195.13678	3.8
197.13135	3.7
197.74786	2.8
201.16368	7.6
203.17943	9.2
207.13809	8.8
211.14874	4.8
217.19594	3.8
221.15352	7.2
229.15942	3.4
233.15390	6.8
247.16876	10.9
257.22638	7.6
261.18478	13.0
286.06256	3.3
299.23703	8.8
316.00558	3.6
317.06403	4.9
317.21063	5.2
317.24750	100.0
318.24976	4.0
325.51166	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	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.05503	1.2
57.03416	1.3
61.02930	1.6
65.03921	0.8
67.05491	0.8
69.03432	4.4
69.07059	1.4
69.62260	2.9
69.62671	1.4
70.06593	0.8
81.03416	2.1
82.06551	0.7
85.02908	7.9
86.09689	1.8
87.04437	0.7
89.98972	0.8
93.07033	2.0
94.68831	0.6
95.08581	1.0
96.04487	3.6
96.08121	2.6
97.02876	2.9
97.05270	2.6
97.06535	1.4
99.04428	0.8
100.07599	1.0
109.02864	1.6
109.06532	1.3
110.06042	6.9
110.09690	4.4
111.08073	1.3
120.08092	1.3
121.06476	1.4
125.08397	1.8
126.09163	10.8
127.03902	1.9
138.09134	26.0
139.07550	2.0
145.05000	0.7
153.01837	1.5
154.02187	1.2
155.18253	0.7
156.10197	100.0
157.10567	2.0
167.42902	0.6
168.08688	0.6
168.10216	1.0
180.10207	1.1
198.11212	0.9
222.11189	1.2
276.04370	0.6
277.81741	0.8
301.11792	1.4
317.57959	0.7
318.11508	0.8
318.15610	1.1
319.00888	1.2
319.12665	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01875	0.7
55.05516	4.0
57.06824	0.7
57.07077	8.6
57.81998	0.4
58.06599	1.3
59.05005	0.7
59.58100	0.5
60.04514	0.5
67.05503	12.2
69.03430	1.3
69.07063	1.9
70.06594	15.4
71.04986	0.8
71.08624	3.1
71.17242	1.0
71.17600	0.6
79.05499	2.4
81.07056	6.8
83.04972	1.1
83.08611	0.9
85.06535	1.0
85.10163	0.5
88.07630	19.8
91.05482	3.4
93.07039	4.4
95.04964	6.3
95.08601	4.8
97.06525	1.5
100.07617	0.5
102.09175	12.0
103.05461	0.5
105.07038	4.9
107.04948	0.7
107.08595	8.5
109.06525	4.5
109.10158	19.4
110.10468	0.6
111.08032	0.6
112.33071	0.4
113.09585	0.6
117.07018	0.9
119.07716	0.6
119.08577	12.5
121.06493	2.1
121.10152	1.7
123.08075	6.7
125.05948	0.5
125.09600	0.7
131.08582	2.3
132.10205	0.5
133.06490	1.2
133.10130	2.2
135.08054	2.9
135.11627	0.9
137.06012	0.8
137.09613	14.4
139.07466	0.5
143.08537	1.3
145.10112	2.0
147.08078	1.4
147.11676	1.3
148.40552	0.5
149.09598	1.5
150.11263	0.7
151.07544	14.7
153.05457	1.3
155.08466	0.8
156.09277	0.5
157.10191	0.9
159.08037	0.8
159.11690	1.1
161.09570	2.4
161.13310	0.5
163.11168	1.2
165.09074	1.4
167.07101	0.9
171.11647	1.3
173.09631	1.1
173.13268	1.1
175.11212	0.8
177.09039	0.8
177.12712	0.6
177.86734	0.4
181.08586	1.1
181.12151	0.7
183.11632	0.7
187.11397	0.5
189.12778	6.0
191.10602	0.9
199.11295	0.6
203.14253	0.7
207.13805	5.0
212.23711	1.1
215.14307	1.1
221.15346	1.1
237.14960	1.3
243.13849	1.8
247.99803	0.5
248.40146	0.5
256.26349	34.8
261.14902	0.7
262.14340	3.5
281.18945	0.7
299.19965	2.0
300.29065	3.2
317.21127	10.0
318.30023	100.0
338.62125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.211
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03943	6.1
55.05506	19.5
57.03427	5.1
59.05008	2.8
62.03364	2.3
62.71572	2.5
65.03939	4.1
65.70165	2.8
67.05507	25.3
69.03427	10.7
69.07057	10.9
69.41078	23.7
71.04984	11.5
79.05490	24.9
81.03410	4.9
81.07063	51.7
83.05009	4.2
83.08611	6.2
85.06539	6.7
91.05480	41.9
93.07041	100.0
95.04957	18.5
95.08606	31.1
97.02842	3.1
97.06529	10.8
99.04456	9.9
103.05470	3.5
105.07025	53.6
107.04942	6.2
107.08588	37.2
109.02937	3.3
109.06539	15.7
109.10154	22.9
111.04451	2.6
111.08079	6.3
112.56596	2.8
115.05476	6.3
117.07012	20.4
119.04948	17.6
119.08579	35.3
121.02872	3.2
121.06505	9.4
121.10136	36.7
123.08086	10.7
123.11687	3.7
125.09678	4.2
125.80154	2.4
128.06238	6.5
129.07007	12.9
130.07825	6.6
131.04897	3.3
131.08566	34.6
132.09372	13.5
133.10129	61.6
135.08057	9.5
135.11716	9.4
137.05968	8.8
137.09590	11.6
141.06958	4.7
142.07788	15.8
143.08559	29.9
144.09319	2.9
144.27867	2.7
145.10120	53.2
147.08073	4.8
147.11688	19.1
149.09618	31.6
151.11194	5.2
153.01834	8.1
155.02373	4.0
155.08527	13.6
156.09297	6.7
157.08920	5.0
157.10115	48.0
159.08081	4.1
159.11697	29.7
161.09633	12.4
161.13277	7.6
163.03917	3.3
163.11153	12.2
165.07054	3.3
165.09103	6.4
167.08417	3.0
167.10683	5.8
168.09326	3.6
169.10132	18.0
170.10872	5.4
171.08099	2.9
171.11665	23.9
171.74339	2.4
173.09587	6.1
173.13268	11.0
175.07617	3.9
175.11176	12.0
175.14886	3.0
177.09178	4.2
177.12776	5.1
181.10126	4.6
182.10922	4.0
183.11655	19.0
184.05190	3.2
185.13309	16.4
187.11253	6.2
187.14862	6.3
189.09000	2.7
189.12712	2.5
191.10744	4.6
191.14359	4.0
195.11627	5.4
196.12469	4.6
197.13229	20.8
199.11215	3.2
199.14740	5.4
201.12762	6.3
201.16367	3.2
203.14354	2.8
205.12227	5.9
209.13217	4.5
210.06740	2.9
211.14818	15.5
212.15614	3.2
213.12747	4.0
213.16405	5.7
215.14355	8.2
219.13762	3.4
221.13162	4.1
223.14815	9.9
225.09158	2.9
225.12697	4.2
225.16309	15.0
226.17113	3.1
227.14317	7.4
229.15898	3.1
239.14366	3.5
241.15921	8.4
243.13803	3.3
243.17438	5.0
253.19482	5.5
257.00986	4.4
259.16934	13.5
263.18015	3.5
271.20511	9.9
281.18921	12.6
285.07437	3.4
287.20029	6.2
299.12949	2.8
299.16660	4.6
299.20032	53.9
317.02875	12.0
317.06277	3.7
317.10400	3.9
317.13806	8.7
317.17331	5.1
317.21112	92.9
317.24570	4.6
318.21301	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	316.2844
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.05503	4.8
56.05029	3.9
57.03449	0.7
57.07075	2.1
60.04523	100.0
61.04863	0.9
67.05510	7.6
68.05028	0.7
69.07064	3.9
70.03207	2.8
70.06585	1.0
72.04521	1.9
74.06062	3.2
77.81831	0.6
79.05500	3.4
80.05012	1.1
81.07057	9.1
82.06580	1.5
83.08203	0.7
83.08595	3.4
83.60500	0.6
87.04474	0.8
89.48759	0.7
90.05554	1.2
91.05482	2.2
93.07038	3.7
94.06585	1.0
95.04937	0.8
95.08605	7.0
97.10168	1.6
100.07655	0.7
105.07027	1.9
107.08600	1.9
109.10141	3.4
111.11670	1.1
112.07610	0.8
117.70504	0.7
119.08594	1.0
121.10131	2.0
133.10149	1.7
135.11673	0.7
137.13229	0.7
185.31409	0.7
190.95120	0.6
250.25356	2.0
262.25031	1.0
268.26331	1.0
280.26324	12.9
281.26657	0.7
298.27341	11.8
316.28424	25.2
316.32126	1.5
317.28989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11398	0.6
55.01872	1.0
55.05509	4.9
56.05035	4.2
57.03426	0.8
57.07072	1.9
58.25613	0.8
60.04525	100.0
63.61868	0.6
67.05503	9.8
69.07065	4.2
70.06599	1.9
70.71834	0.9
70.72200	2.1
71.04967	0.7
72.04515	2.5
72.46243	0.7
74.06072	1.9
79.05502	4.3
81.07048	9.9
82.06579	1.7
83.08623	3.3
83.98493	0.6
86.06085	0.7
87.04475	6.6
88.07638	0.8
90.05569	1.3
91.05481	3.2
93.07074	3.5
94.06580	0.9
95.08617	7.7
96.08141	1.4
97.10201	1.3
105.07076	0.9
107.08618	2.0
109.10165	3.1
119.08581	2.3
121.10176	2.0
123.08096	0.9
123.11735	2.0
128.79210	0.7
133.10133	1.5
135.11678	1.2
137.09616	2.1
145.10141	0.8
149.87856	0.7
151.07632	0.7
162.58421	0.7
163.00037	0.7
167.95235	0.7
189.12679	1.0
222.83904	0.7
233.22728	0.8
250.25258	2.1
256.26395	3.0
262.25366	1.5
267.87747	0.9
280.01709	0.8
280.26328	12.4
298.27377	11.5
316.28494	30.4
317.21072	2.1
317.28784	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.1
55.05506	19.5
57.03427	5.1
59.05008	2.8
62.03364	2.3
62.71572	2.5
65.03939	4.1
65.70165	2.8
67.05507	25.3
69.03427	10.7
69.07057	10.9
69.41078	23.7
71.04984	11.5
79.05490	24.9
81.03410	4.9
81.07063	51.7
83.05009	4.2
83.08611	6.2
85.06539	6.7
91.05480	41.9
93.07041	100.0
95.04957	18.5
95.08606	31.1
97.02842	3.1
97.06529	10.8
99.04456	9.9
103.05470	3.5
105.07025	53.6
107.04942	6.2
107.08588	37.2
109.02937	3.3
109.06539	15.7
109.10154	22.9
111.04451	2.6
111.08079	6.3
112.56596	2.8
115.05476	6.3
117.07012	20.4
119.04948	17.6
119.08579	35.3
121.02872	3.2
121.06505	9.4
121.10136	36.7
123.08086	10.7
123.11687	3.7
125.09678	4.2
125.80154	2.4
128.06238	6.5
129.07007	12.9
130.07825	6.6
131.04897	3.3
131.08566	34.6
132.09372	13.5
133.10129	61.6
135.08057	9.5
135.11716	9.4
137.05968	8.8
137.09590	11.6
141.06958	4.7
142.07788	15.8
143.08559	29.9
144.09319	2.9
144.27867	2.7
145.10120	53.2
147.08073	4.8
147.11688	19.1
149.09618	31.6
151.11194	5.2
153.01834	8.1
155.02373	4.0
155.08527	13.6
156.09297	6.7
157.08920	5.0
157.10115	48.0
159.08081	4.1
159.11697	29.7
161.09633	12.4
161.13277	7.6
163.03917	3.3
163.11153	12.2
165.07054	3.3
165.09103	6.4
167.08417	3.0
167.10683	5.8
168.09326	3.6
169.10132	18.0
170.10872	5.4
171.08099	2.9
171.11665	23.9
171.74339	2.4
173.09587	6.1
173.13268	11.0
175.07617	3.9
175.11176	12.0
175.14886	3.0
177.09178	4.2
177.12776	5.1
181.10126	4.6
182.10922	4.0
183.11655	19.0
184.05190	3.2
185.13309	16.4
187.11253	6.2
187.14862	6.3
189.09000	2.7
189.12712	2.5
191.10744	4.6
191.14359	4.0
195.11627	5.4
196.12469	4.6
197.13229	20.8
199.11215	3.2
199.14740	5.4
201.12762	6.3
201.16367	3.2
203.14354	2.8
205.12227	5.9
209.13217	4.5
210.06740	2.9
211.14818	15.5
212.15614	3.2
213.12747	4.0
213.16405	5.7
215.14355	8.2
219.13762	3.4
221.13162	4.1
223.14815	9.9
225.09158	2.9
225.12697	4.2
225.16309	15.0
226.17113	3.1
227.14317	7.4
229.15898	3.1
239.14366	3.5
241.15921	8.4
243.13803	3.3
243.17438	5.0
253.19482	5.5
257.00986	4.4
259.16934	13.5
263.18015	3.5
271.20511	9.9
281.18921	12.6
285.07437	3.4
287.20029	6.2
299.12949	2.8
299.16660	4.6
299.20032	53.9
317.02875	12.0
317.06277	3.7
317.10400	3.9
317.13806	8.7
317.17331	5.1
317.21112	92.9
317.24570	4.6
318.21301	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	315.0708
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02353	0.5
53.03956	1.0
53.65062	0.5
55.01846	0.5
57.03431	0.8
65.80869	0.4
69.03426	4.2
71.04985	0.6
71.50032	0.9
79.01845	4.8
81.03417	7.6
85.02901	4.3
93.56810	0.4
97.02899	3.0
99.04426	0.8
106.84676	0.5
107.01309	2.5
109.02880	4.2
113.69404	0.5
125.02358	5.0
127.03904	4.9
137.06000	0.6
143.03386	8.1
153.01825	100.0
153.02808	3.6
154.02094	0.8
171.02869	5.0
242.53891	0.5
260.77280	0.5
283.09695	0.8
297.05954	3.4
304.11264	0.5
315.07117	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0712
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02369	0.9
51.97482	0.4
53.03934	1.2
53.75537	0.4
55.01861	1.0
56.96554	0.8
57.03422	1.2
59.53112	0.3
61.02909	1.1
61.93946	0.4
65.92803	0.4
69.03080	0.5
69.03423	6.9
70.06600	0.5
70.89673	0.3
71.04994	1.0
71.20261	0.9
73.02899	0.9
79.01855	5.7
81.03413	9.8
83.04955	0.4
85.02893	5.5
86.99295	0.4
95.04963	0.4
97.02892	4.5
98.97561	1.1
99.04453	1.2
101.02351	0.4
107.01308	2.6
108.08076	0.6
108.37086	0.4
109.02878	6.2
116.98624	0.6
119.01955	0.8
122.07172	0.8
125.02343	4.4
127.03910	7.4
131.01866	0.8
137.05931	0.5
143.00163	0.5
143.03394	8.6
145.04977	0.6
153.01823	100.0
153.02811	3.8
154.02161	1.3
161.03014	0.4
161.06023	0.6
163.03909	0.4
164.07054	1.7
170.99007	0.5
171.02876	5.6
173.02934	0.5
189.00194	0.4
189.04056	0.5
195.08002	0.4
198.98563	0.6
213.00093	2.4
213.05986	0.4
231.01140	1.0
234.98534	0.4
237.02753	0.4
243.01224	0.4
245.04994	0.4
251.09532	0.4
255.10083	0.5
283.09686	1.9
296.73114	0.4
297.06067	3.7
315.07098	0.9
315.10294	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	316.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35049	1.4
56.96557	7.2
64.63605	1.3
70.06582	3.7
71.22592	2.0
71.22929	3.0
91.05800	2.2
97.02881	4.2
98.97575	16.9
113.03466	3.0
116.98609	19.3
119.01918	12.5
120.02016	2.2
121.01642	2.8
125.45880	1.4
134.99649	25.0
137.02965	7.3
138.09056	1.3
140.00165	1.8
149.97165	2.6
153.00629	7.3
153.01797	1.8
155.01402	2.2
165.00735	1.4
177.00960	29.3
178.01080	6.4
179.00693	7.9
180.00919	2.0
192.98724	1.7
193.01727	1.3
194.94806	2.1
197.00630	1.9
201.00969	2.5
203.02463	2.2
204.02681	2.3
207.96172	1.8
216.98749	1.9
217.04033	2.3
218.03578	1.6
219.01988	38.4
220.02049	11.6
221.01767	12.4
222.01950	2.3
225.00862	3.5
232.96497	3.8
234.03531	3.2
234.99832	5.7
242.03629	2.2
243.02005	4.7
249.97231	2.4
250.97083	3.0
251.51491	1.9
252.94669	4.3
256.02051	1.7
256.96652	5.7
257.96725	2.9
259.00052	1.9
260.99768	4.7
261.03049	100.0
262.02994	9.6
263.02863	4.0
264.03104	3.3
267.95102	1.6
273.97488	1.8
274.06714	2.2
274.97391	10.9
275.97571	1.6
277.00906	3.4
278.01059	2.2
279.00687	16.8
279.03476	2.7
284.04614	4.8
291.95291	2.1
291.98309	4.4
292.07742	5.0
292.95334	2.2
292.98193	9.2
298.06140	3.0
301.00858	3.2
302.01074	2.9
303.00775	3.5
310.46271	3.5
310.95981	6.6
311.46085	3.7
315.95230	2.3
316.07443	27.0
319.96545	2.7
333.96457	4.5
334.08508	2.2
336.56113	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	2.6
69.56696	3.8
69.57111	1.7
79.01866	4.9
81.03421	5.1
83.04967	0.7
85.02899	4.1
97.02891	6.7
98.20814	1.5
107.01324	1.9
109.02872	3.3
114.32125	0.8
125.02333	4.8
127.03883	4.0
131.04832	0.8
131.54099	0.7
143.03383	9.3
153.01828	100.0
153.02846	4.2
154.02136	1.6
171.02876	2.4
191.03363	1.1
205.04999	2.1
207.02884	2.5
221.04448	1.5
233.04449	2.1
249.03856	1.0
297.06174	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
56.11426	0.5
56.11736	0.5
57.03432	0.8
61.02916	0.5
67.47537	0.4
69.03120	0.5
69.03429	5.2
69.26574	5.6
69.26908	0.6
79.01859	5.9
81.03412	8.7
81.07061	0.9
85.02899	5.6
95.08603	0.8
97.02900	4.9
99.04422	1.3
107.01300	2.2
109.02883	5.6
125.02338	4.6
127.03909	6.3
143.03383	8.2
153.01825	100.0
153.02806	3.6
154.02173	1.4
171.02893	4.6
215.86986	0.5
283.09589	0.6
297.06042	3.8
315.06909	0.7
315.12369	0.9
316.12592	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0707
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02375	1.0
55.01878	0.6
61.02899	0.5
69.03432	9.1
70.08273	2.5
73.71985	0.5
79.01853	4.2
79.31854	0.5
81.03410	2.1
85.02903	1.1
85.41519	0.5
97.02889	2.4
107.01318	1.4
109.02876	1.9
125.02350	3.7
127.03922	6.0
143.03372	8.5
152.04559	0.5
153.01830	100.0
154.02194	1.7
171.02890	2.3
191.03447	1.4
207.02992	1.1
207.23178	0.5
233.04567	1.2
237.03946	1.8
297.06018	1.0
309.03421	0.6
319.28729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.0
69.03419	9.0
69.77454	2.1
69.77865	0.8
79.01844	4.0
81.03382	0.6
83.08006	0.5
85.02925	0.5
90.52965	0.5
97.02873	2.2
107.01304	1.4
125.02322	3.6
127.03895	4.9
143.03389	7.7
153.01817	100.0
154.02176	1.1
163.03873	0.7
171.02815	1.2
191.03401	1.1
193.04979	0.5
205.04958	1.0
207.02971	1.0
212.35753	0.5
237.03799	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
53.03942	1.1
55.01863	0.6
55.05532	0.4
57.03431	1.1
69.03434	4.5
70.94035	0.9
71.04984	0.9
73.02928	0.5
79.01852	5.6
81.00963	0.4
81.03419	10.2
85.02909	4.9
88.51450	0.4
91.05495	0.8
95.51803	0.4
97.02896	2.7
99.04438	0.8
105.07027	1.0
107.01327	2.9
109.02886	4.9
125.02362	5.0
127.03926	6.3
135.11621	0.5
139.01501	0.4
143.03398	9.0
153.01828	100.0
153.02820	3.8
154.02161	1.1
162.05482	1.1
165.12791	0.4
169.07697	0.5
171.02888	4.3
187.43402	0.5
195.02966	0.8
199.96584	0.4
247.13608	0.4
274.01822	0.6
297.06046	3.4
315.07339	0.6
315.12793	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00792	0.4
51.02385	0.8
52.32777	0.3
57.03442	0.6
61.02922	0.7
65.50910	0.3
69.03428	6.9
69.45940	3.4
79.01854	5.1
81.03413	2.3
85.02904	1.7
86.08132	0.3
87.57127	0.3
92.09131	0.4
97.02885	3.7
99.04450	0.5
101.82295	0.4
105.13981	0.4
107.01310	1.6
107.05035	0.3
108.22129	0.4
109.02878	2.2
121.42482	0.3
125.02338	4.9
127.03932	4.8
143.03386	8.9
147.04488	0.4
147.06947	0.3
153.01823	100.0
154.02179	1.4
159.04433	0.8
163.03925	0.5
171.02914	1.9
177.05530	0.5
179.03409	0.5
191.03400	1.7
205.04964	1.5
207.02919	1.1
209.04498	0.6
221.04355	0.6
233.04436	1.2
237.03987	0.9
279.04865	0.3
297.06042	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.6
53.03938	0.8
55.01877	0.5
57.03415	0.7
69.03427	4.1
69.60986	3.7
79.01851	5.3
81.03416	8.4
85.02905	5.2
87.80117	0.5
97.02889	3.5
99.04433	0.6
107.01328	3.0
109.02884	5.7
125.02362	5.4
127.03899	6.3
137.05911	0.7
143.03398	8.0
153.01825	100.0
154.02168	1.5
171.02855	5.9
182.35454	0.5
223.07632	0.5
297.06064	4.0
315.07147	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63865	0.5
51.02376	0.7
53.03943	0.5
57.03436	1.2
59.51401	0.5
69.03425	4.3
70.04865	2.5
79.01862	5.4
81.03413	8.1
85.02904	4.7
91.05463	0.5
96.08090	0.4
97.02869	2.8
98.20882	0.5
99.04463	0.8
107.01329	2.8
109.02879	5.2
110.09636	0.6
119.60950	0.4
120.04447	1.5
125.02335	5.3
127.03938	4.7
136.07527	1.3
138.09206	0.7
143.03381	8.5
149.22226	0.5
152.44902	0.5
153.01830	100.0
153.02808	3.7
153.11613	0.5
154.02165	1.3
154.08632	1.2
162.05492	8.0
164.42342	0.5
166.08653	1.4
171.02898	4.5
197.06186	0.5
283.09637	0.5
297.05966	3.3
297.11929	0.5
314.79016	0.5
315.07211	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	11.7
57.03433	30.6
57.07074	87.0
64.54583	1.2
67.05505	14.6
69.07064	15.0
71.08627	57.3
78.29433	1.3
79.05482	4.3
81.06638	2.0
81.07050	19.7
83.08623	17.9
85.10178	25.9
89.06014	4.8
91.05470	2.1
93.07030	3.6
95.08604	31.9
97.10142	7.6
103.07565	2.2
107.08585	1.9
109.10143	13.5
113.13275	1.6
121.10149	1.6
123.11730	6.8
129.06989	1.4
137.13225	2.8
139.04973	1.5
155.08513	1.8
209.09450	1.7
212.37505	1.4
237.16258	1.5
239.03087	1.4
239.23712	4.3
257.24765	6.5
286.31412	1.6
295.16959	4.5
312.53485	1.5
313.18124	3.1
313.27353	100.0
314.27649	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0707
Annotation	Norbergenin
Peak:m/z	Relative Intensity
53.03931	1.3
55.01854	0.4
57.03426	0.9
63.28515	0.3
69.03428	6.0
70.16801	0.4
70.92176	0.6
70.92505	0.6
71.04976	0.6
79.01852	6.9
81.03415	8.5
85.02905	5.0
86.22484	0.3
97.02885	3.8
99.04468	0.4
105.15145	0.4
107.01304	3.4
109.02876	5.4
122.61368	0.4
125.01488	0.5
125.02346	5.8
127.03910	6.2
129.70668	0.4
143.03392	8.7
153.01822	100.0
154.02150	1.1
168.86151	0.4
171.02885	4.5
297.06036	3.5
315.07068	0.6
315.13992	1.1
316.39059	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	9.3
57.03436	27.3
57.07074	80.4
67.05163	1.9
67.05499	18.1
68.10766	1.4
69.07065	12.7
70.71293	3.0
70.71613	1.4
71.08631	46.9
79.05486	2.1
81.07058	23.3
83.08608	16.7
85.10180	31.5
89.06017	4.6
91.05463	1.4
93.07018	2.2
95.08601	32.7
97.10159	8.6
99.11727	1.5
103.07574	3.4
105.06986	1.3
109.10154	14.8
123.11700	5.7
125.13295	1.5
126.41119	1.1
131.08534	1.4
137.13263	2.0
163.55309	1.2
171.65825	1.4
177.79979	1.2
188.87347	1.3
212.06438	1.3
239.23755	5.6
257.24844	7.2
313.27353	100.0
313.36462	6.9
314.27618	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	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47670	1.1
55.05508	11.4
55.31064	1.0
56.41614	1.0
56.63990	1.2
57.03158	1.3
57.03431	29.9
57.07072	89.1
66.93745	1.1
67.05499	19.5
67.22321	1.1
69.07063	17.6
69.40910	10.6
71.08624	50.4
79.05489	2.2
81.07053	23.1
83.08614	17.2
84.70595	1.2
85.06525	1.7
85.10174	27.8
89.06013	5.2
91.05456	1.7
93.07030	2.6
95.08601	30.9
97.06541	1.1
97.10165	9.5
99.11725	2.5
103.07565	4.7
105.07001	1.5
107.08598	1.3
109.10159	13.1
111.11698	1.6
121.10112	1.6
123.11703	6.2
125.09530	1.1
133.10089	1.6
137.13199	2.4
151.14856	1.2
189.06079	1.1
221.22661	1.4
239.23674	4.7
241.29269	1.1
257.24777	6.7
275.25818	1.7
313.27350	100.0
314.27737	3.7
339.82309	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	1.2
53.08472	1.0
55.05511	11.8
57.03439	24.2
57.07077	78.1
58.07713	0.9
59.42627	1.0
59.45343	1.1
63.00147	1.0
67.05506	16.8
69.07071	15.4
69.44654	6.3
69.45073	3.2
71.04990	1.2
71.08633	49.0
72.08937	1.2
75.04478	1.5
79.05481	2.5
81.07056	22.1
83.08624	18.5
85.06548	2.3
85.10183	29.5
89.06020	2.8
91.05496	1.8
93.07067	5.2
93.32403	1.2
95.08610	31.7
97.10165	8.3
99.11718	2.3
103.07562	3.7
105.07019	1.7
107.08611	2.2
109.10155	13.8
111.11707	2.9
117.41458	1.0
123.11687	4.9
125.13248	1.9
133.11673	1.2
137.13199	1.4
138.80183	1.2
207.93803	1.1
208.83998	1.2
239.23732	6.3
257.24774	7.6
272.06195	1.2
299.13821	1.2
313.27380	100.0
314.27725	3.2
326.53433	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2371
Annotation	13(S)-HpODE
Peak:m/z	Relative Intensity
55.05498	50.1
56.96572	21.8
57.03436	45.9
57.07066	36.8
61.20630	22.3
62.78928	22.2
67.05495	100.0
69.03430	27.9
69.07069	59.0
70.06595	25.0
79.05470	74.4
81.07046	97.2
83.08617	46.5
85.06583	25.2
91.05470	64.7
93.07033	79.6
95.04961	27.9
95.08591	72.1
98.94402	22.5
105.07043	56.6
107.08612	46.3
109.10161	54.1
119.08579	37.7
121.10147	52.9
121.56561	27.5
123.11650	28.7
133.10146	44.4
135.11694	31.3
143.08528	31.7
145.10124	42.6
149.63194	26.2
170.48572	23.1
173.13388	28.4
177.65677	24.4
183.40088	24.6
231.10742	32.0
268.26434	56.6
295.22720	52.1
313.10593	34.3
313.21500	90.5
313.31970	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	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33150	1.5
55.05508	12.0
57.03437	23.4
57.07073	75.9
59.74030	1.6
67.05502	15.9
67.09808	1.5
69.07072	13.9
69.37110	12.9
69.37515	2.5
71.08630	51.0
79.05477	1.9
81.07047	18.2
83.08617	18.1
85.06504	1.7
85.10176	27.5
89.06022	4.8
90.98192	1.6
93.07031	4.2
95.08601	29.5
97.10168	7.5
100.83060	1.4
103.07569	3.7
109.10139	14.6
123.11690	6.7
137.13255	3.1
149.39148	1.4
175.83557	1.5
182.03668	1.8
182.07434	1.6
239.23691	4.9
257.24792	8.3
313.27368	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1795
Annotation	Crocetinsemialdehyde
Peak:m/z	Relative Intensity
51.00997	4.9
53.03938	13.2
55.01862	8.6
55.05497	17.2
55.57573	4.6
57.03419	5.6
57.07088	6.8
67.05508	38.9
68.48257	4.7
69.03108	6.5
69.03432	50.3
69.07050	16.4
69.82735	15.4
69.83154	17.3
71.01342	5.1
71.04993	15.6
71.72972	5.0
79.05478	36.3
81.03401	22.8
81.07053	58.1
83.01370	5.3
83.04956	14.2
85.02921	27.4
85.06527	9.7
91.05470	51.7
93.07037	29.0
95.04958	30.7
95.08588	18.9
97.02872	7.5
97.06514	5.5
98.21481	9.9
99.04434	7.2
100.45981	4.8
103.05422	7.1
105.07026	54.4
107.04929	17.1
107.08626	25.1
109.02898	7.6
109.06520	35.5
109.10143	17.4
110.41351	4.8
111.04478	7.0
115.05476	8.9
117.07003	15.7
119.04961	9.8
119.08561	33.9
121.06519	14.1
121.10140	28.5
121.59589	6.1
123.08035	6.9
125.06022	7.8
127.03943	9.5
128.06207	11.4
129.06990	18.2
131.08603	27.6
133.06482	8.6
133.10141	24.8
135.08035	11.9
135.59074	4.7
137.05972	31.4
141.06992	14.2
142.07762	16.3
143.08559	28.4
144.09344	6.7
145.06470	15.9
145.10129	29.9
147.08049	23.1
147.11679	8.6
149.05965	7.3
149.09631	14.1
151.07523	19.2
151.11162	10.7
153.01788	6.0
153.06973	7.9
155.08505	20.2
156.09341	7.1
157.06532	7.9
157.10147	25.1
159.08037	19.9
159.11682	10.6
161.09593	13.7
163.07484	6.8
165.07013	12.7
166.07878	7.8
167.08539	17.6
168.09271	7.4
169.10130	23.0
169.12202	16.7
171.08051	15.3
171.11664	19.3
173.09584	19.4
173.13338	7.6
175.07492	12.0
175.11136	7.1
178.07845	6.2
179.08563	18.0
179.10730	5.7
180.09286	6.2
181.10098	17.1
182.10876	12.4
183.08006	7.6
183.11667	22.8
185.09615	17.5
185.13312	12.3
186.70943	5.2
186.72899	5.1
187.11215	10.7
189.09222	6.5
189.12668	11.4
192.09311	14.5
193.10120	23.5
193.11868	5.3
195.08150	9.7
195.11671	17.0
196.08876	6.4
197.09587	19.7
197.13260	21.7
199.11214	13.1
201.09169	6.2
201.12753	14.5
203.14330	6.8
204.09203	7.4
205.10103	6.4
207.11664	31.8
208.08832	8.6
209.09657	11.2
209.13159	8.5
210.10335	11.0
211.11182	21.5
212.11865	5.9
213.12758	12.6
219.11723	11.6
220.12375	8.5
221.13258	6.7
222.10364	11.1
223.11195	16.0
223.14757	9.0
225.09137	8.5
225.12846	33.1
225.16382	7.8
229.12279	5.8
234.14046	8.4
235.11110	11.5
236.12006	5.4
237.12778	9.9
237.16351	9.7
239.10634	10.0
239.14307	7.6
239.17992	18.3
243.13760	6.1
247.11205	9.7
249.16388	13.5
251.14325	7.4
252.14970	9.6
253.12317	12.2
253.15852	11.3
265.12289	5.6
265.15845	16.2
267.17477	63.2
271.13324	8.8
277.15778	18.1
285.18427	13.2
295.16968	100.0
313.07028	12.9
313.18140	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
62.62906	0.6
65.03915	2.2
67.05495	2.9
71.57336	1.0
79.05487	5.2
81.03427	1.1
81.06583	1.0
81.07050	16.2
91.05478	46.3
92.05821	0.8
93.07037	2.0
94.04192	3.3
95.04971	8.4
95.08604	0.9
97.02882	1.0
100.96258	0.7
103.05457	3.0
105.07013	3.1
105.07738	0.6
107.04944	4.6
107.08568	0.9
109.02899	0.9
109.05813	0.7
109.06514	11.1
111.04451	0.8
115.05443	1.9
117.07000	1.1
119.04935	28.6
121.02892	0.9
121.06471	1.4
122.03629	6.9
123.08080	1.2
128.06212	11.3
129.07005	25.4
131.04932	3.1
131.08549	1.2
133.06488	2.6
134.56618	0.6
135.04561	0.8
135.08069	1.0
136.05173	6.3
137.05971	80.5
138.06274	1.0
141.09103	2.5
143.04900	1.1
143.08623	0.9
145.06447	4.5
146.07210	1.6
147.08040	0.9
149.05995	0.9
151.07535	100.0
152.06227	0.8
152.07893	1.4
153.01813	1.1
156.05688	2.8
157.06483	15.2
159.04417	0.8
159.08163	0.7
161.05977	3.3
161.09578	2.1
163.07541	3.5
165.06998	2.6
173.05980	1.4
174.06743	12.1
175.07529	7.0
177.09050	0.9
178.07799	6.5
179.08551	0.8
181.06458	1.3
182.07306	1.0
189.09103	57.5
190.09581	1.8
191.08572	0.9
192.09337	1.7
193.06514	1.7
193.10114	6.7
195.08075	1.3
197.05922	1.0
198.06776	0.9
202.07719	1.9
203.08527	3.3
206.07217	1.3
207.08087	1.0
210.06754	1.9
211.07602	1.2
212.08240	0.8
219.08109	1.6
219.11702	0.7
220.08812	1.8
221.06044	0.8
221.09619	11.0
223.07562	1.5
224.08348	1.0
225.09109	1.9
231.08284	1.0
234.06715	0.9
237.09058	1.3
238.06346	0.9
238.09753	1.1
239.06949	0.7
249.09113	8.0
250.09715	0.8
253.08684	1.8
253.12196	10.7
266.09540	0.9
267.10352	0.9
269.08081	3.6
272.10300	0.9
281.11710	6.1
284.10400	1.8
295.06052	1.1
295.12967	0.8
295.17279	0.9
296.06396	0.8
313.07135	3.8
313.10880	1.4
313.14316	26.2
313.17993	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.7
55.01864	4.8
56.96606	2.9
57.03432	5.5
61.02918	9.0
63.08689	2.9
67.05517	3.3
69.03437	24.0
69.07053	8.9
69.57240	2.8
71.23892	6.0
73.02915	4.2
79.05482	8.8
81.03419	8.6
83.27332	2.9
85.02910	100.0
87.08121	15.1
91.03954	4.9
91.05465	10.3
93.07053	8.6
95.04981	5.4
97.02889	26.9
99.04439	6.9
105.09139	3.2
109.02869	10.7
110.06033	2.9
113.25746	2.6
121.06535	4.5
127.03912	21.8
133.08566	3.9
135.28270	2.8
137.05957	4.6
139.07515	3.3
145.04977	26.8
151.07484	3.6
153.01846	3.6
163.05983	5.7
189.67912	3.0
312.17883	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	312.3258
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
51.10511	0.3
54.84829	0.3
55.05500	0.5
57.07075	4.9
60.65022	0.4
63.97045	0.4
69.07071	0.7
70.83460	1.0
71.08643	1.7
72.04511	4.4
79.33058	0.3
81.07052	0.5
85.10159	0.8
92.29629	0.4
95.08564	0.4
100.07598	0.4
102.09180	2.8
116.10738	3.7
130.12253	1.2
144.13847	0.5
158.95622	0.4
184.64392	0.3
312.32587	100.0
313.32956	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	313.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.50414	0.7
65.03928	1.9
67.05502	1.2
69.33197	7.0
79.05489	3.8
81.07053	6.9
91.05477	41.5
94.04163	2.7
95.04964	7.3
97.02888	0.7
103.05467	2.0
105.07022	2.0
107.04981	4.0
109.06509	6.5
115.05402	1.2
117.07023	0.7
119.04933	22.8
121.06490	1.7
121.09949	0.6
122.03652	6.7
123.08038	1.2
128.06212	9.5
129.06990	20.5
130.07330	0.8
131.04915	2.0
131.08549	1.3
133.06462	1.5
135.07994	0.9
136.05188	4.8
137.05972	64.1
141.09088	0.8
143.04935	1.3
144.05544	0.7
145.06487	3.8
146.07388	0.8
149.05957	0.8
151.07532	100.0
152.07857	1.7
153.01930	0.8
156.05681	2.0
157.06497	11.1
158.07233	0.7
161.05948	2.1
161.09560	1.3
163.07491	4.2
165.06984	1.9
167.08582	0.9
172.26852	0.7
174.06770	12.6
175.07545	5.8
176.08379	1.2
177.09119	0.8
178.07761	3.2
189.09096	49.7
192.09349	1.4
193.10115	4.6
197.06076	0.8
200.95561	0.7
202.07831	2.0
203.08578	2.9
206.07291	1.8
207.07884	0.9
209.05942	0.7
210.06821	0.9
218.05316	0.7
219.08067	1.3
220.08766	1.3
221.06152	0.7
221.09615	9.9
225.09129	1.1
231.07953	0.8
237.09229	0.8
238.06302	0.9
238.09894	1.6
241.08632	0.6
249.09076	6.9
253.08359	0.8
253.12218	9.8
254.12592	0.7
263.10663	1.3
268.70499	0.6
269.08127	2.5
272.10400	1.8
281.11703	6.4
284.10486	1.4
313.07132	0.7
313.14282	21.9
314.14706	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2578
Annotation	AS 183
Peak:m/z	Relative Intensity
53.03936	2.2
55.01867	3.5
55.05511	78.0
57.03436	33.4
57.07074	38.1
67.05503	14.8
69.07067	89.1
69.32261	2.8
69.32663	10.0
70.07391	1.3
71.04982	1.4
71.08629	20.0
73.02902	2.1
73.06552	1.4
79.05482	9.3
81.06650	1.5
81.07056	17.9
83.04972	2.2
83.08618	70.4
85.10177	7.8
85.66409	1.2
91.05439	1.2
93.07050	14.3
95.08602	15.9
97.06522	7.9
97.09539	2.6
97.10168	47.0
107.08591	9.1
109.10153	6.1
111.08087	3.2
111.11710	14.0
115.07582	1.2
121.10136	10.0
125.09612	3.5
125.13259	3.6
129.05458	1.7
135.11688	8.1
139.11198	3.1
149.13232	5.0
153.12675	1.5
159.82831	1.2
163.14790	1.5
209.11676	2.8
219.21130	2.1
237.11197	2.8
237.22134	1.7
307.57809	1.3
311.25803	100.0
312.26169	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
55.01864	3.6
55.05263	3.0
55.05510	32.7
57.03436	2.8
57.07071	17.3
59.04990	3.2
67.05501	22.6
69.03429	4.2
69.07066	100.0
69.51061	14.4
71.05000	2.8
71.08614	5.8
76.46645	1.7
79.05486	12.2
81.03398	2.6
81.07056	70.6
83.04992	2.7
83.08616	33.6
85.06541	16.2
85.10187	2.6
89.87068	1.6
90.38212	1.7
91.05473	9.5
91.06004	1.7
93.07034	25.0
95.04978	2.4
95.08604	65.4
97.06528	6.5
97.10181	11.6
99.08102	13.2
103.05457	2.1
105.07024	4.8
107.04964	2.6
107.08587	20.2
107.61629	1.5
109.02840	1.9
109.06498	3.4
109.10150	41.1
111.08089	9.0
111.11722	15.8
112.15684	1.7
119.08585	3.1
121.10129	10.0
122.03680	2.0
123.11715	17.4
125.09653	2.3
125.13272	4.9
131.08543	3.0
135.11707	9.8
137.05948	10.7
137.13242	6.7
139.11208	2.8
149.09637	3.6
149.13268	10.1
151.14833	5.8
153.12749	8.9
157.10060	1.6
159.88416	1.8
161.05995	1.9
163.14870	3.8
165.16336	2.5
167.14308	1.9
170.80075	1.8
171.30577	1.7
173.13243	2.0
177.16444	2.1
179.17966	1.9
187.07506	3.3
190.07864	4.1
191.08556	6.3
194.62413	1.5
205.19580	1.7
219.08035	6.9
219.21208	2.2
247.07535	3.1
251.10701	6.5
253.08585	3.5
261.09198	2.7
264.31570	1.8
265.08688	3.7
275.27350	3.0
279.06958	1.9
279.10159	9.9
293.28302	6.3
311.09293	2.9
311.12823	11.5
311.29379	24.0
312.09445	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2578
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03941	2.1
55.01870	2.3
55.05507	67.1
57.03436	30.7
57.07074	29.8
67.05504	10.9
69.07065	73.4
69.31098	9.1
69.31527	4.3
71.04967	1.4
71.08627	20.7
73.02916	1.7
79.05491	6.6
81.07052	13.1
83.04970	1.2
83.08614	66.0
85.10190	6.9
91.05527	1.2
93.07041	9.5
95.08608	9.5
97.06528	5.7
97.10165	46.2
107.08588	5.3
108.68398	1.4
109.10159	4.3
111.08093	2.6
111.11697	11.7
121.10143	9.5
123.11662	1.9
125.09610	3.0
125.13236	1.9
135.11682	7.4
137.13278	2.9
139.11174	1.6
149.13260	2.7
153.12801	1.6
163.14830	1.7
209.11778	1.5
219.21146	2.5
224.48628	1.3
311.25797	100.0
312.26117	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04461	1.8
52.41280	2.1
54.90108	1.9
55.01874	13.1
55.05510	16.1
57.06796	2.5
57.07072	36.5
67.05492	12.3
68.99745	2.3
69.07053	6.2
70.06599	3.7
71.03140	3.9
71.04980	2.8
71.08639	3.6
79.05483	8.0
81.07042	9.9
83.04969	15.3
83.08619	6.9
85.68797	2.0
88.07629	2.9
91.05476	5.6
93.06517	2.1
93.07032	11.3
95.04965	21.8
95.08607	8.4
95.77937	2.1
97.06538	6.2
97.10175	4.0
99.04441	2.5
105.07032	6.7
107.04936	7.0
107.08614	12.6
109.02883	6.5
109.06527	4.5
109.10132	2.6
111.04451	32.4
117.06971	4.3
119.08556	5.4
121.06485	3.0
121.10114	6.0
123.08059	3.6
125.05961	7.9
125.09618	4.7
131.08575	3.1
133.10117	3.4
135.04398	3.2
135.11723	2.2
145.10124	3.7
147.08073	2.3
149.02367	13.7
149.09610	8.1
153.05470	17.9
159.11731	2.2
163.11183	13.9
181.05006	4.7
181.12215	7.4
189.11102	2.3
191.10692	11.1
193.04959	19.5
193.08603	2.4
196.62534	10.3
197.12903	2.8
200.20036	3.5
209.11734	100.0
210.11998	3.1
210.64032	2.3
223.13243	12.1
224.65652	7.7
225.15904	2.5
237.11206	69.1
255.12224	10.1
275.20020	10.2
293.17758	4.5
293.21021	32.9
311.24805	26.6
311.74829	11.2
313.12262	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2214
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
53.03948	1.4
53.86826	0.9
55.01873	7.1
55.05509	12.2
57.07074	29.8
58.07363	0.9
67.05501	10.2
68.99782	2.1
69.03423	1.3
69.07057	5.3
70.54527	3.1
71.01363	1.2
71.04979	1.6
79.05495	8.9
81.03412	1.7
81.07044	6.8
83.04977	15.8
83.08614	7.7
85.02903	1.7
85.06538	1.4
88.07643	1.2
91.05460	6.1
93.07041	9.3
95.04962	15.3
95.08594	3.6
97.02886	1.3
97.06523	3.7
97.10152	6.1
99.04445	1.9
101.02361	1.0
105.07018	5.2
107.04962	4.7
107.08596	10.0
109.02857	5.4
109.06502	1.8
109.10150	2.7
111.04432	30.2
111.08062	3.4
117.06966	1.5
119.08551	4.3
121.06503	0.9
121.10138	6.1
123.08128	1.5
125.05996	7.8
125.09621	5.1
131.08575	3.8
133.10115	2.9
135.04407	3.6
135.08072	2.1
135.11687	3.2
137.09604	1.8
139.07463	0.9
139.11176	1.0
145.10085	5.5
147.08041	0.9
147.11717	2.1
149.02348	3.2
149.09610	10.4
149.13329	1.2
153.05458	17.8
153.09152	1.0
153.12735	1.6
159.11688	1.9
163.03920	1.5
163.11168	9.9
173.09645	1.2
175.07642	1.2
181.04958	5.3
181.12253	10.9
189.11145	4.5
191.10678	13.4
192.17519	0.8
193.04930	4.5
193.08681	1.4
195.10132	0.9
195.88689	0.9
196.62706	1.0
205.12216	1.3
209.11716	100.0
210.12109	3.2
216.03366	0.8
219.10201	1.2
223.13293	16.5
237.11211	68.9
238.11598	2.7
248.28265	0.8
255.12227	10.4
257.18964	1.0
275.20047	15.6
293.17438	3.5
293.21097	11.3
294.21591	1.1
311.18402	1.4
311.24570	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01868	26.9
55.05508	100.0
57.03437	6.4
57.07072	7.1
59.05005	10.2
67.05508	52.5
69.03427	9.6
69.07066	25.9
69.47966	30.9
69.48372	10.8
71.04990	8.5
71.08615	16.3
79.05492	47.9
81.03420	13.6
81.07050	50.4
82.35093	4.9
83.04987	44.1
83.08613	55.3
85.02907	6.4
91.05486	34.7
93.07046	40.8
95.04979	69.0
95.08598	21.6
97.06524	6.6
97.10170	39.0
99.04461	8.6
99.08092	9.2
104.26370	5.5
105.07023	21.0
107.04961	13.1
107.08584	39.8
109.06496	9.4
109.10171	20.7
111.04443	57.4
111.08084	23.4
117.07069	10.8
119.08569	9.6
121.10172	21.2
123.08051	8.2
125.09618	30.3
131.08569	21.1
133.10149	8.7
135.08073	11.1
135.11717	19.3
142.19302	5.6
145.10136	26.0
147.11641	9.8
149.09627	30.3
151.30342	5.3
153.12721	10.3
155.08484	5.4
159.11620	7.8
163.11183	70.8
165.12708	6.9
181.12238	13.1
189.11191	13.7
191.10680	11.7
193.12222	7.6
195.13878	9.4
223.13260	37.3
237.14801	7.7
265.15955	5.9
275.20032	54.7
293.21121	94.4
306.48605	6.5
311.16455	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2214
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01860	17.1
55.05270	5.8
55.05514	94.3
58.96527	4.5
59.25963	4.0
63.77254	4.3
65.03918	4.9
67.05498	38.2
69.03436	6.1
69.07058	26.8
70.10425	20.7
71.04982	7.0
71.08624	27.0
73.14979	4.7
79.05487	40.1
81.03424	32.8
81.07054	54.4
83.04994	26.1
83.08612	59.2
91.05482	28.2
92.03160	5.2
93.07056	37.6
95.04962	51.5
95.08591	14.9
97.06524	5.7
97.10175	42.7
98.21392	6.1
99.08099	27.9
104.63971	5.0
105.07014	21.4
107.04950	6.8
107.08607	39.7
109.06504	9.6
109.10155	21.2
110.57800	5.9
111.04434	12.0
111.08109	10.1
113.09721	5.4
117.07037	12.3
119.08560	16.3
121.10139	12.4
125.09618	37.2
131.08566	8.4
133.10196	7.2
135.08078	6.7
135.11670	13.3
145.10124	13.5
147.11676	8.3
147.94308	6.5
149.09630	17.0
149.13242	5.1
157.10152	7.5
163.11205	62.8
177.12793	8.1
189.11229	14.0
193.12257	20.5
195.13828	31.3
211.13324	15.3
223.13246	12.9
247.20575	7.8
257.18961	8.9
275.20059	31.6
293.21109	100.0
325.22186	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	311.2214
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
50.28699	5.8
55.01864	28.5
55.05511	85.9
57.07073	12.5
67.05501	50.6
69.07055	34.5
69.24377	22.9
69.24809	55.6
71.04996	11.1
71.08636	12.0
74.04008	6.2
79.05492	56.1
80.05788	6.2
81.03408	17.9
81.07057	61.6
83.04991	47.6
83.08617	69.2
85.02935	6.8
91.05470	30.3
93.07034	52.1
95.04973	81.4
95.08595	19.4
97.10169	37.9
99.08084	9.7
104.64113	6.0
105.07015	25.2
107.04964	16.1
107.08596	43.3
109.10123	15.2
111.04422	57.1
111.08073	18.4
117.07003	17.4
119.08575	25.1
121.06506	8.3
121.10115	17.6
123.08057	8.4
125.09624	28.4
129.06949	6.7
131.08539	10.7
133.10162	13.6
135.07986	7.7
135.11694	11.0
145.10092	28.1
147.07990	8.0
147.11696	12.6
149.09648	36.1
151.11253	7.7
153.09039	8.5
153.12779	9.3
161.09579	10.2
163.11160	65.4
165.12833	8.3
181.12276	23.0
189.11220	19.5
191.10686	13.5
195.13751	15.9
198.79361	6.3
209.11732	16.3
211.13272	6.7
223.13202	38.1
257.18893	8.6
275.20111	46.0
293.21088	100.0
320.95041	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	311.1639
Annotation	Nafenopin
Peak:m/z	Relative Intensity
53.03957	6.8
55.01859	3.5
55.05513	7.6
59.04999	14.5
67.05500	6.5
69.03426	18.4
69.07076	6.1
69.75598	13.4
69.76017	6.0
71.04977	3.7
79.05482	13.5
81.03401	3.1
81.07069	4.7
83.01344	3.8
83.04960	14.8
91.05492	23.5
91.20892	2.3
93.07037	12.0
95.04977	8.2
98.20691	3.1
103.05478	9.3
105.07047	20.5
107.04949	13.1
107.08606	7.4
109.02895	5.4
109.06512	3.7
109.10158	5.8
115.05452	9.4
117.07009	6.9
119.08582	10.5
121.06526	11.9
121.10206	3.0
122.07288	5.3
123.08098	3.5
125.05930	3.0
128.06232	6.4
129.06996	10.1
131.04955	10.4
131.08563	7.6
133.06505	4.7
133.10103	4.4
135.08008	6.3
137.05989	8.2
141.06982	5.5
142.07791	9.8
143.08595	12.0
145.06479	7.4
145.10085	13.5
147.08046	6.2
149.09650	5.8
153.06998	7.0
154.07797	3.5
155.08559	13.8
156.09351	6.6
157.10120	13.2
158.07245	4.7
159.08076	7.0
159.11707	7.1
161.06024	6.4
161.09592	4.0
163.07617	4.6
165.06941	16.5
166.07787	11.1
167.08582	14.8
168.09389	3.6
169.06468	4.4
169.10126	10.7
171.08081	6.8
171.11671	7.7
172.08849	3.8
173.09628	8.2
175.07475	3.3
175.11086	3.4
178.07770	6.5
179.08546	16.7
180.09314	10.7
181.06581	2.8
181.10182	11.4
182.10898	3.2
183.08061	6.7
183.11717	8.4
185.09636	11.1
185.13306	3.1
187.11198	8.0
190.07968	3.7
191.08571	12.1
192.09283	16.3
193.10132	20.9
194.07373	3.5
194.10933	8.5
195.08130	13.6
195.11662	20.4
196.08913	6.5
197.09598	10.3
197.13269	6.3
198.10489	4.5
199.11180	11.1
202.07690	6.2
203.08609	9.9
205.10193	9.6
206.10872	4.2
207.08180	6.7
207.11684	22.4
208.08920	13.7
208.12418	6.1
209.09575	24.2
209.13194	3.5
210.10365	10.5
211.07495	3.6
211.11194	8.7
212.11967	2.7
213.12766	5.5
216.09215	3.2
217.10156	26.7
218.07298	3.3
218.10738	4.3
219.08076	8.6
219.11705	7.7
220.08806	7.5
221.09697	13.1
221.13268	5.1
222.10384	9.9
222.14001	4.5
223.11166	22.0
223.14801	6.9
224.08290	3.8
224.12015	4.7
225.08980	6.7
225.12708	8.8
227.10716	5.0
229.05276	4.0
231.11736	4.0
232.12476	18.0
233.09618	6.5
233.13303	6.0
234.10449	5.9
235.07462	3.9
235.11143	36.1
235.14822	4.0
236.11908	6.9
237.09142	7.7
237.12717	11.0
237.16371	6.1
238.09825	4.4
239.10678	3.6
239.14072	3.4
241.12244	6.6
241.16095	3.2
242.33801	3.0
245.09560	18.9
247.10909	3.7
247.14957	12.7
248.11969	3.6
249.12784	11.8
250.13544	13.9
251.10718	12.4
251.14284	16.4
253.12265	5.0
255.17345	3.5
260.11954	34.6
263.10672	9.8
263.14456	6.4
265.08502	3.8
265.12320	6.4
265.15912	27.3
269.11676	5.2
269.15582	2.9
271.13220	4.7
275.14273	46.7
278.09946	2.6
278.13022	9.1
281.15414	4.5
282.96774	3.1
283.16888	15.0
293.15341	64.7
311.12781	40.8
311.16415	100.0
312.13083	3.8
312.16672	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1639
Annotation	Nafenopin
Peak:m/z	Relative Intensity
53.03940	6.4
53.85350	2.2
55.01875	2.6
55.05506	9.6
56.96558	5.3
57.03430	2.5
57.07076	3.7
59.05002	19.5
60.70286	2.2
65.03941	3.2
67.05506	13.0
69.03428	19.3
69.07073	11.1
69.52971	5.5
69.53394	9.7
71.04996	3.7
79.05490	20.2
81.03405	6.6
81.07050	18.8
83.04985	7.9
83.08643	3.4
84.08128	1.9
84.19188	1.9
84.96024	4.2
85.02909	5.0
85.06551	3.5
91.05465	17.3
93.07036	29.7
95.04977	9.1
95.08608	11.0
97.02905	4.0
97.06559	3.2
98.97591	2.8
99.04485	3.4
100.57851	1.7
103.05454	5.2
105.07015	17.8
107.04960	9.7
107.08599	12.5
109.02866	5.4
109.06512	8.5
109.10162	11.0
109.86131	1.8
111.04436	2.7
111.08102	3.2
112.00771	1.9
115.05429	2.9
117.07024	3.2
119.08554	12.9
121.06517	8.8
121.10128	20.6
123.04439	2.9
123.11687	3.6
125.06000	2.2
125.09641	4.3
127.03925	3.5
128.06235	3.6
129.06985	8.1
131.04909	3.2
131.08575	9.8
133.06477	5.2
133.10155	4.7
135.04387	3.1
135.08012	4.3
135.11714	2.0
137.05972	20.9
139.07532	3.0
142.07814	5.5
143.08537	10.6
144.98114	2.6
145.06470	6.3
145.10081	9.6
147.04414	2.9
147.08044	5.5
147.11736	2.7
149.05989	7.1
149.09583	10.0
151.07538	4.1
153.01819	2.8
153.06990	3.2
154.07799	3.4
155.08566	11.8
156.09285	3.9
157.10146	5.4
159.08014	8.8
159.11664	4.1
161.05991	10.8
161.09605	5.0
162.99161	5.4
163.07533	4.6
163.11223	1.9
165.07031	10.8
165.09071	2.3
166.07698	4.2
167.07169	2.7
167.08592	6.9
168.09332	2.7
169.10176	6.4
170.10963	3.2
171.08127	4.8
171.11731	3.6
172.08803	2.9
173.09636	5.9
175.07487	2.1
177.05414	2.4
178.07817	5.0
179.08598	9.1
180.09375	5.9
181.06482	3.2
181.10094	7.6
183.08095	2.7
183.11710	7.6
185.09668	7.5
185.13278	2.7
187.07576	6.3
187.11191	2.1
189.07010	2.2
190.07820	5.3
191.08533	10.9
192.09291	9.6
192.73453	2.1
193.10201	9.4
194.07219	3.7
194.10913	5.5
195.08099	8.7
195.11713	11.4
196.08975	3.8
197.09657	4.8
197.13312	6.3
199.11137	3.3
201.12744	3.1
202.07687	2.0
203.08572	3.2
204.09456	2.4
205.10175	5.6
206.10887	2.9
207.08069	3.0
207.11690	13.6
208.08917	7.1
209.09586	10.2
209.13358	3.6
210.10361	5.3
211.07628	3.4
211.11183	5.6
213.09171	2.1
213.12883	3.9
217.10159	5.0
218.07278	2.3
219.08067	17.7
219.11612	2.8
220.08792	5.0
221.05972	3.9
221.09622	6.0
221.13260	3.0
222.06903	2.0
222.10423	5.6
222.14188	2.5
223.07526	2.6
223.11174	17.1
223.14841	4.7
224.08372	2.9
225.05363	2.4
225.09123	3.4
225.12697	6.2
227.10655	2.8
232.12495	2.5
233.09720	6.7
235.07536	6.2
235.11137	13.9
236.08272	6.0
236.11821	3.7
237.09106	6.4
237.12732	4.0
239.10745	3.3
239.14217	2.0
240.07761	1.9
241.12183	2.0
243.06917	3.5
245.09531	3.0
247.01241	2.8
247.07605	4.4
248.08403	2.3
249.12798	5.5
250.13554	5.7
251.10693	20.6
251.14360	6.8
253.08623	3.6
253.12286	4.0
259.01288	5.4
263.10577	3.1
263.14386	2.5
264.07889	3.1
265.08618	2.2
265.12396	5.5
265.15903	13.6
271.13199	3.3
275.14334	3.9
277.02289	2.6
278.12946	2.5
279.10181	13.4
280.10880	3.8
280.14053	2.1
281.08160	2.9
281.15286	3.1
283.10300	2.3
283.13263	8.4
283.16879	6.4
293.15417	20.7
293.24792	2.1
296.06741	2.5
296.10364	5.1
311.05545	6.0
311.09113	5.1
311.12778	42.7
311.16406	100.0
312.16748	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	310.2528
Annotation	Holaromine
Peak:m/z	Relative Intensity
53.03931	0.6
54.94894	0.6
55.05509	2.8
57.07070	2.4
57.24317	0.5
58.91951	0.5
64.14853	0.6
64.79053	0.5
67.05505	2.8
69.07081	2.8
70.04066	1.7
70.06249	0.7
70.06594	6.6
77.31516	0.6
79.05493	6.7
80.88280	0.6
81.07065	4.7
83.07352	1.6
91.05480	5.0
93.07048	6.7
94.06578	0.9
95.04940	1.1
95.08589	1.2
96.08130	3.1
105.07040	8.0
107.08575	3.7
109.08878	1.0
111.04438	1.0
112.62500	0.7
115.05453	1.0
117.07037	2.8
118.06536	1.2
119.08587	6.9
120.08105	2.0
121.10120	0.9
122.09666	6.6
128.06236	1.0
129.07018	6.5
130.07828	0.8
131.08571	8.7
132.08006	0.7
133.09157	0.6
133.10094	2.7
134.09631	1.0
135.11679	0.7
136.11206	1.7
137.11969	2.1
141.06926	1.1
142.07819	0.8
143.08554	5.7
144.09315	1.6
145.10110	6.5
146.09671	3.5
147.10461	0.5
147.11665	0.7
148.11220	1.0
149.13258	0.6
150.12759	1.3
151.07460	0.6
153.05466	0.6
155.08551	1.2
156.09366	0.7
157.08928	1.0
157.10114	6.3
158.09650	1.3
158.10847	0.7
159.10535	0.8
159.11725	1.0
160.11177	1.6
161.13263	2.1
162.12753	1.8
164.14392	0.5
169.10075	1.1
170.09613	0.7
171.10384	0.9
171.11703	2.1
172.11163	1.0
173.13243	6.9
174.12788	5.9
175.14883	0.9
183.11740	0.9
184.11198	1.5
185.11876	0.7
185.13292	1.9
186.12799	6.8
187.13455	0.7
188.14375	2.2
190.15895	1.0
196.11145	0.8
197.11990	0.6
198.12805	1.9
199.14853	1.5
200.14326	1.7
204.17477	0.7
208.11246	0.7
209.11723	4.0
210.12750	0.8
211.13487	0.8
212.14281	4.3
214.15987	0.6
224.14383	2.2
226.15880	5.1
227.17903	0.8
228.17401	2.7
229.31747	0.6
237.11203	2.8
238.15860	2.9
240.17435	6.0
241.18153	1.6
242.18837	0.8
252.17471	3.0
254.19107	3.6
255.19781	0.7
266.19070	2.1
280.20529	3.1
281.21365	1.0
308.23654	1.4
310.25281	100.0
311.25711	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	311.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46312	0.7
56.69922	0.8
61.89258	0.7
69.76466	4.1
69.76878	1.5
98.21473	1.7
101.97131	0.9
109.85255	0.9
149.02092	28.7
177.83095	0.8
185.02802	1.0
185.04245	11.6
311.07343	100.0
312.07779	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	311.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.3
55.05472	2.2
57.03418	6.3
58.61657	1.5
61.38084	1.7
61.47781	1.6
64.83212	1.5
69.03132	1.6
69.03435	16.3
70.06570	1.6
71.04999	2.5
71.56744	2.9
73.02909	4.4
79.05444	2.2
79.83876	1.5
81.03418	8.4
83.04948	2.2
85.02900	11.6
91.05467	5.9
94.51668	1.9
97.02888	13.7
103.05449	4.4
105.06956	2.0
107.04935	3.3
109.02837	3.4
110.84843	1.6
111.04414	3.3
115.03915	2.2
115.05465	2.5
116.98664	1.9
117.06937	2.9
119.04928	2.8
120.08096	1.9
121.06506	1.7
121.08431	3.8
127.03922	8.9
129.05493	3.8
131.04912	8.0
133.07581	2.1
135.04408	2.6
137.05974	33.4
141.06967	3.6
141.56569	1.7
145.06500	3.3
147.04460	5.7
147.13167	1.6
147.45508	1.8
149.02086	31.9
149.05914	9.9
149.30843	1.8
151.03917	2.3
153.01825	4.2
161.05959	2.5
161.07115	11.8
162.03043	2.9
163.07494	3.8
167.07086	4.0
169.06401	4.5
175.07507	3.3
176.04674	2.2
177.05484	11.7
179.07016	4.8
185.04355	8.8
187.07495	2.8
188.04576	2.3
191.06975	13.2
197.06039	4.0
203.07216	3.2
207.06549	2.8
215.07031	4.1
217.08609	3.2
218.08675	1.7
221.08183	2.4
223.04364	2.4
229.08612	5.6
257.08414	2.8
258.74222	1.9
273.67911	2.2
275.09760	3.4
293.10455	2.4
311.07367	100.0
311.10876	3.5
312.07709	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2786
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03946	2.9
55.01836	3.4
55.05266	2.6
55.05510	36.0
57.07075	12.8
59.04990	2.4
60.24742	2.0
64.26554	1.9
67.05508	41.7
69.07066	64.2
71.04987	7.1
71.08625	6.1
71.31735	4.7
79.05489	14.5
80.29483	2.1
81.03423	2.4
81.07056	100.0
83.04985	4.2
83.08625	21.9
85.06549	8.0
85.10190	3.6
91.05473	8.8
93.07051	26.0
95.04965	15.8
95.08602	86.8
97.06528	5.1
97.10168	19.2
99.08073	6.3
105.07023	10.6
107.08594	23.3
109.06511	3.6
109.10155	43.3
109.10846	4.0
111.08071	7.1
111.11725	11.1
114.94040	1.8
119.08575	8.3
120.22229	2.0
121.10173	18.9
123.08054	5.5
123.11697	26.8
125.09660	3.1
125.13231	2.3
133.10103	4.9
135.11694	12.2
137.09680	4.7
137.13268	10.9
139.11148	4.4
147.04385	4.7
147.11713	8.2
149.13268	12.5
151.11168	2.0
155.10667	2.0
161.13264	2.7
163.14809	5.6
175.14850	2.3
177.16364	3.0
179.17967	2.9
228.65121	2.0
273.25742	8.6
277.08624	3.5
291.26987	9.5
309.11096	2.5
309.22330	2.9
309.27872	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	309.2785
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
55.05505	35.4
57.03410	3.1
57.07072	29.7
59.04978	3.4
67.05509	32.8
69.03427	3.9
69.07065	60.0
70.04066	3.3
71.04981	8.5
71.08641	17.9
77.83354	2.5
79.05479	21.3
81.06583	5.5
81.07051	100.0
83.04959	9.6
83.08635	19.0
85.06538	9.7
85.10162	3.5
88.36872	2.8
91.05473	9.3
93.07034	30.6
95.04948	12.2
95.08602	77.2
97.06523	7.4
97.10167	13.3
98.20785	6.3
99.08090	6.2
100.11234	6.4
105.07013	15.7
107.08571	27.9
109.06506	8.9
109.10155	39.9
111.08064	8.7
111.11726	13.2
119.08570	14.6
121.10123	20.8
123.08051	7.6
123.11697	29.7
125.09636	3.5
133.10109	13.2
134.31059	3.1
135.11723	13.7
137.09598	5.3
137.13193	12.4
139.11122	3.8
145.10130	3.4
147.04366	3.7
147.11670	6.5
149.13243	11.5
151.11217	3.6
155.10614	4.1
161.13266	5.5
163.14706	5.3
182.15431	11.7
198.35873	2.7
210.14949	15.1
273.25665	6.1
277.08652	8.2
281.11914	3.5
291.26785	9.6
309.11240	8.9
309.16687	4.6
309.28030	18.1
324.66687	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61193	1.7
53.03928	3.4
55.01873	4.7
55.05264	2.8
55.05510	40.5
57.03424	7.6
57.07080	14.1
57.71795	1.9
59.04984	3.1
65.03947	2.4
67.05504	45.3
67.45060	1.7
69.03411	8.2
69.07067	84.1
69.37161	17.5
69.37572	3.8
70.04066	2.9
70.07364	2.2
71.04976	9.1
71.08625	6.9
73.06544	4.0
79.05494	20.3
81.03400	5.2
81.07050	100.0
82.07402	2.2
83.04980	7.4
83.08616	34.4
84.41199	1.8
85.02880	6.2
85.06542	13.9
85.70473	1.8
91.05481	19.1
93.07045	47.0
95.04981	9.2
95.08605	92.3
97.06541	12.9
97.10186	10.9
99.04393	3.0
99.08080	6.5
105.07040	15.8
107.04932	2.3
107.08591	42.5
109.02830	3.1
109.06489	6.6
109.09472	3.0
109.10152	44.3
111.08090	18.1
111.11723	13.3
116.98647	3.1
119.04935	8.3
119.08578	15.8
121.06426	2.4
121.10139	21.2
123.04453	2.2
123.08083	6.1
123.11693	39.7
125.09586	6.4
125.13293	3.2
127.11169	2.5
129.07013	4.0
133.10126	9.1
134.99666	3.4
135.11696	20.8
137.05930	3.4
137.09558	3.0
137.13248	13.7
139.11113	2.2
145.02919	2.4
145.10059	3.9
147.04425	35.2
147.08032	3.2
147.11673	13.1
147.47220	1.7
149.13252	24.7
151.11189	3.0
153.12730	15.9
159.11661	4.9
161.09570	2.1
161.13232	4.6
163.11185	2.9
163.14780	6.8
165.05492	2.5
165.09166	1.9
165.12840	2.9
167.08537	2.7
167.14339	5.2
169.10213	3.1
173.13022	2.0
175.14809	3.8
177.05431	6.0
177.16451	3.7
178.07803	4.7
179.08524	2.8
187.14893	3.0
189.06952	7.8
190.07660	3.3
191.08426	2.3
195.08090	2.1
202.07692	3.0
203.08504	2.3
205.06445	6.5
206.07251	14.2
207.08006	2.7
217.06436	5.7
218.07147	4.3
219.08046	2.3
221.09563	7.1
223.07527	2.8
225.16251	2.3
233.05838	2.1
234.06754	16.8
235.07353	6.0
249.09117	17.6
250.09563	2.8
251.06924	6.2
252.07356	2.1
262.06238	7.9
263.06784	2.2
265.08530	2.9
266.09326	4.2
273.18683	2.2
273.21866	2.0
273.25803	3.4
277.05746	2.9
277.08606	36.0
278.09058	6.5
279.06668	2.6
281.11703	18.5
291.26767	6.6
293.08261	2.2
294.08847	7.5
295.09048	2.1
298.14331	3.0
309.11185	41.6
309.27850	18.8
310.11710	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.7
55.12815	6.1
56.96562	14.6
57.03429	12.6
64.13619	5.6
67.05502	42.4
69.03438	34.9
70.04066	24.1
70.06580	6.7
70.68773	12.7
70.69173	12.0
73.02892	7.4
81.03413	13.7
83.04988	19.1
85.02909	41.4
85.06543	24.1
87.04475	11.2
88.76545	6.0
91.05484	9.4
95.04961	31.6
97.02889	21.9
98.20877	6.1
99.04427	7.8
109.02887	8.1
113.05296	6.3
113.05993	39.2
116.98622	11.8
120.08106	94.2
127.03933	14.3
127.98851	7.0
131.07036	100.0
135.26492	6.2
137.05963	19.6
149.02135	14.4
149.06009	7.4
153.01839	10.7
167.54677	6.6
177.05478	10.0
199.02849	6.5
279.07410	8.5
310.18207	7.0
311.07288	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	309.2786
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
51.25863	1.5
52.20946	1.7
55.01871	2.2
55.05512	35.3
57.07080	14.5
59.04990	2.1
63.14925	1.6
65.03963	2.3
67.05505	33.3
67.05840	3.5
69.03419	2.6
69.07067	64.5
70.74293	3.7
70.74661	4.1
71.04993	4.8
71.08631	6.7
79.05492	14.8
81.07054	100.0
83.04985	7.9
83.08611	24.2
85.06538	7.2
85.10184	3.1
91.05462	11.9
93.07039	28.5
93.07564	3.3
95.04964	9.1
95.08603	80.6
97.06541	7.0
97.10172	12.7
99.08091	3.5
105.07028	15.7
107.08578	26.5
109.06512	5.5
109.10153	38.9
111.08087	11.1
111.11710	10.6
113.88161	1.8
119.04993	2.4
119.08577	9.4
121.10133	13.1
123.08065	2.5
123.11704	43.1
125.09612	2.3
127.07529	1.8
133.10062	8.1
135.11688	14.9
137.09575	4.0
137.13239	10.6
139.11246	3.5
147.04410	4.1
147.11696	7.3
149.13261	14.8
151.14839	2.1
153.12759	4.4
161.13274	6.1
163.14841	6.3
165.12653	1.9
167.14287	3.0
175.14799	1.8
177.16444	2.6
179.17976	3.1
189.16454	2.8
198.17006	1.7
198.80948	1.7
234.06825	1.9
273.25809	8.2
277.08621	4.1
281.11816	2.5
291.23062	1.5
291.26678	8.3
309.11011	4.0
309.27841	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	309.2786
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
52.88426	0.6
53.03948	1.9
55.01859	2.0
55.05509	23.8
56.36312	0.7
57.03432	3.8
57.07075	8.9
59.04997	4.5
65.03943	1.1
67.05502	19.5
69.03414	4.8
69.07064	100.0
69.71748	2.3
69.72157	1.9
70.07395	0.6
70.38454	0.6
71.05003	3.2
71.08630	3.2
73.06554	3.1
79.05486	8.6
81.03421	1.1
81.07052	56.6
82.07386	1.0
83.04982	2.9
83.08613	18.8
84.71416	0.6
85.02888	0.7
85.06536	10.3
85.10174	1.3
91.05479	5.3
92.74352	0.6
93.07040	22.6
94.07345	0.7
95.04984	1.8
95.08602	50.2
96.08939	0.8
97.06526	9.6
97.10169	5.1
98.98463	8.1
99.08091	4.3
101.06039	0.7
105.07022	4.8
107.08589	23.4
107.09296	1.3
109.06512	1.5
109.10152	22.5
111.08075	15.7
111.11716	22.7
115.07571	1.0
117.98752	0.6
119.04958	2.0
119.08584	3.7
121.10143	12.3
123.08077	2.0
123.11703	21.7
123.12580	1.1
125.09636	3.6
125.13291	2.4
127.11203	1.4
129.12782	1.8
133.10149	2.2
135.11691	13.5
137.09636	0.8
137.13249	6.4
139.11189	8.3
147.04419	6.1
147.08057	0.6
147.11732	2.4
148.04828	0.7
149.09740	0.6
149.13249	13.4
149.14360	0.9
151.14806	1.1
152.67046	0.6
153.12737	14.2
157.12302	1.3
161.13257	2.1
163.14815	3.4
165.12788	1.2
167.14336	3.5
175.14839	0.9
177.16507	2.0
203.17990	1.0
249.09254	1.1
273.25992	1.1
277.08786	0.9
281.11716	0.7
291.26855	5.1
309.11273	2.1
309.27878	15.4
309.31241	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85021	8.4
55.05507	31.4
57.03430	13.4
57.07072	15.3
67.05487	35.1
69.07059	31.7
70.04080	14.0
71.04963	10.9
71.58004	13.2
72.59200	8.6
74.65791	8.5
79.05489	42.3
81.07059	84.3
83.08608	12.6
91.05476	54.3
93.07053	68.7
95.04975	61.6
95.08596	65.0
97.06522	21.4
97.10173	10.9
105.07037	93.7
107.04961	16.6
107.08587	48.6
109.06525	17.5
109.10155	36.2
117.07020	17.3
119.08586	61.0
121.06527	12.6
121.10155	100.0
121.48476	10.2
123.08059	13.4
123.11766	12.2
125.37971	10.1
128.06233	12.9
129.06979	13.8
131.08568	43.4
133.10139	52.1
137.09663	10.4
143.08578	22.1
145.10133	52.0
147.11633	19.2
149.09531	14.3
155.08551	12.6
157.10188	30.0
159.11671	48.7
161.13200	12.5
169.10135	21.4
171.11713	23.4
173.13263	14.2
175.14813	15.5
183.11731	16.6
185.13272	17.2
187.11116	10.9
187.14825	20.9
195.11650	11.8
199.20943	10.8
203.79295	9.5
209.13196	11.4
213.16464	10.8
225.16516	12.5
281.48666	8.9
291.20712	10.1
309.21783	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2211
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
50.06085	4.6
52.78334	3.6
53.03937	11.0
55.01863	7.3
55.05268	4.0
55.05497	26.8
57.03412	6.1
57.07071	7.6
65.03925	7.6
67.05175	5.1
67.05504	56.1
69.03420	5.1
69.07070	29.2
69.46130	8.3
69.46453	37.1
71.04965	4.3
79.05476	40.2
81.07044	63.1
83.04978	6.8
83.08597	12.3
85.06506	6.4
91.05470	48.5
93.07038	79.3
95.04968	63.9
95.08606	58.0
97.06528	18.1
103.05467	5.7
105.07029	91.4
107.08596	49.2
109.06516	13.3
109.10146	31.2
115.05439	6.4
117.06998	19.8
119.08579	75.5
121.06470	15.3
121.10143	100.0
123.08056	13.7
123.11693	9.2
127.55946	4.3
128.06190	6.5
129.06985	17.4
130.07852	8.2
131.08565	40.0
133.10136	54.0
135.08011	9.7
135.11681	14.6
141.06973	9.5
142.07756	19.1
143.08557	41.3
144.09335	7.8
145.06526	6.1
145.10118	41.6
147.08009	8.8
147.11687	13.4
149.13229	5.4
155.08542	18.9
156.09283	14.4
157.10138	40.5
159.08081	5.6
159.11676	47.2
161.09631	7.9
161.13206	7.0
165.07033	5.3
167.08543	8.5
168.09261	8.1
169.10127	24.3
170.10876	5.9
171.11728	24.8
173.09586	8.2
173.13237	20.9
175.14880	12.1
179.08612	6.7
181.10112	10.6
182.10956	5.9
183.11757	20.3
185.13234	11.1
187.11168	8.9
187.14792	18.0
192.09222	4.8
193.10141	6.6
194.10889	5.8
195.11723	11.6
196.12494	5.9
197.13246	17.9
199.14790	17.0
206.20340	4.9
207.11636	11.6
209.13187	11.9
211.14787	17.0
213.16400	7.3
215.14336	6.0
220.12469	6.0
221.13301	7.1
223.14784	9.6
225.16432	7.9
227.14386	4.7
235.14795	12.4
237.16371	5.9
239.14240	6.1
239.17986	5.1
251.17845	5.1
253.15846	8.9
261.16483	4.6
263.17935	5.5
265.19650	5.8
281.22534	5.8
291.20615	12.2
291.23520	10.5
297.69537	4.4
309.21967	98.5
309.24936	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.62609	7.7
53.03927	9.4
53.96199	6.7
55.01866	15.8
55.05497	41.1
57.03448	9.5
67.05501	88.4
69.03452	11.2
69.07062	29.6
70.04073	7.8
71.04996	10.8
71.10737	19.0
71.11102	9.1
79.05487	56.5
81.07053	98.8
83.04990	17.9
83.08604	13.5
85.06566	8.3
91.05467	58.2
93.07014	51.5
95.04961	21.3
95.08602	31.1
97.06532	8.6
104.62697	8.3
105.07037	63.9
107.04925	16.1
107.08591	66.1
109.06495	14.3
109.10146	86.3
111.04472	12.2
111.08084	10.9
117.07066	11.1
119.08586	27.0
121.06475	19.3
121.10137	16.8
123.08084	13.2
123.11732	19.2
129.06947	9.5
131.08543	21.5
133.10133	100.0
135.08000	9.1
135.11694	14.0
139.07436	8.4
145.10129	15.3
151.11180	49.3
161.09621	13.7
171.11797	13.7
193.12242	9.7
235.13301	7.7
245.19115	14.3
273.18454	33.3
280.77951	9.7
291.19482	55.1
309.20660	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	309.2057
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03934	6.4
55.01867	11.5
55.05510	58.1
57.03434	10.2
57.07050	4.6
67.05501	52.8
69.03407	5.9
69.07059	36.5
71.02874	8.2
71.04975	7.7
79.05494	48.5
81.03433	18.5
81.07055	100.0
83.04983	18.4
83.08627	29.6
85.02908	6.0
85.06551	5.7
89.81595	4.1
91.05467	25.6
93.07039	38.0
95.04964	20.4
95.08610	43.9
96.21595	3.9
97.06525	13.3
97.10169	40.8
105.07034	21.7
107.04965	5.9
107.08583	29.9
109.06550	7.8
109.10151	22.2
109.10876	3.3
109.99601	3.9
111.04453	15.1
111.08080	10.6
117.07005	10.3
118.23969	4.1
119.08574	17.8
121.06476	8.6
121.10133	15.7
123.08062	35.0
123.11663	5.2
125.09617	38.9
129.07051	5.3
131.08563	11.3
133.06438	4.9
133.10139	11.4
135.08067	5.6
135.11674	14.3
137.09624	17.2
145.10098	13.7
147.04378	9.6
147.08009	8.7
147.11665	7.2
149.09599	7.9
149.13264	6.9
151.11162	4.0
153.12752	4.2
157.10194	4.8
163.11122	24.0
165.09113	12.5
175.11009	3.9
181.12254	7.7
185.13391	4.6
189.11208	18.5
191.10622	9.2
193.12219	13.6
206.07344	4.1
211.13275	4.8
263.19769	4.2
273.18414	18.5
277.08749	10.2
291.19528	49.8
291.26733	5.2
309.11023	5.0
309.20697	10.7
309.27927	6.8
318.26736	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03930	4.9
55.01858	7.8
55.05263	4.2
55.05508	39.3
67.05498	28.9
69.03419	4.8
69.07056	14.2
70.04068	5.4
71.07095	3.8
71.57996	6.3
79.05490	22.9
81.03387	3.9
81.07059	28.3
83.04942	4.4
83.08607	16.0
91.05466	14.4
93.07037	16.4
95.04958	10.8
95.08614	11.1
97.10158	23.6
98.59403	3.6
105.07010	10.0
107.04957	8.7
107.08591	15.0
109.10144	10.1
111.08044	4.1
117.07018	7.2
119.08572	11.7
121.06548	5.9
121.10123	7.8
123.08071	11.0
125.09615	13.9
129.06975	4.8
131.08560	6.3
131.30928	3.3
133.06439	3.7
133.10118	7.8
135.08017	4.7
135.11685	4.2
143.08543	5.3
144.87187	4.2
145.10153	5.7
146.50919	3.3
147.08092	5.0
147.11618	5.6
151.07622	4.0
157.09923	3.9
165.09113	7.1
181.12340	4.5
189.11189	14.7
201.64940	3.3
203.14406	4.2
218.93010	3.6
272.95761	4.5
273.18393	15.1
291.19531	100.0
309.20663	7.3
312.65714	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	309.2057
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03914	6.0
55.01868	8.7
55.05505	24.7
59.05003	6.3
60.34321	5.7
61.13376	6.6
67.05509	43.2
69.07080	14.7
70.83035	19.9
79.05481	48.9
80.14144	6.9
81.07053	95.6
83.04964	41.7
83.08608	14.7
85.02917	9.6
91.05473	25.5
93.07027	32.9
93.49706	5.9
95.04958	14.6
95.08553	11.5
99.04433	8.2
105.06998	15.5
107.04930	7.6
107.08581	17.9
109.06517	14.7
109.10118	13.1
111.04424	52.6
111.08078	17.6
117.07011	25.9
119.08571	43.5
121.06505	12.8
121.10178	16.1
123.08044	9.0
125.09626	8.9
131.08580	21.3
135.08055	9.6
135.11687	12.8
145.10153	21.6
147.08060	15.1
149.09657	9.1
152.84212	6.5
153.12767	10.4
157.10237	10.1
161.09570	9.7
163.11179	20.2
171.15973	6.4
181.12274	23.1
191.10681	19.1
200.72838	7.7
212.04367	5.9
249.14787	9.4
273.18430	46.2
291.19495	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03941	11.2
55.01861	16.2
55.05507	40.4
57.03409	15.2
57.07072	10.9
67.05503	66.8
69.07056	30.4
70.04057	15.0
71.57983	14.6
79.05486	59.3
81.03380	12.1
81.07058	100.0
83.04964	35.0
83.08611	22.9
91.05476	36.0
93.07037	51.9
95.04966	39.4
95.08611	29.8
97.06531	12.4
97.10146	17.8
99.04519	13.1
105.07024	42.7
107.04922	20.0
107.08577	29.1
109.06510	10.9
109.10137	27.8
111.04417	46.5
111.08077	13.2
114.64984	9.4
117.07019	23.7
119.08527	49.3
121.06512	12.5
121.10126	24.6
123.04468	9.9
125.09637	16.8
131.08603	22.2
135.07999	10.5
135.11684	21.0
143.08574	19.1
145.10138	26.9
147.08113	15.8
147.11653	10.0
149.09605	14.5
153.12779	12.0
161.09550	13.2
163.11191	27.0
169.57462	12.7
173.09697	14.5
173.13263	18.0
191.10641	13.0
249.14899	10.2
254.94655	10.5
255.17566	10.6
273.18497	42.2
291.19522	83.8
303.81149	9.9
309.20636	69.0
310.25278	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01875	14.0
55.05505	24.5
57.03403	3.4
62.98653	2.7
65.53870	3.0
67.05497	33.1
69.03428	4.1
69.07076	14.5
71.04986	4.9
71.08669	2.5
71.19736	5.2
76.52412	2.5
79.05487	39.1
81.03407	8.0
81.06582	6.1
81.07053	100.0
83.04980	24.9
83.08609	15.1
85.02900	11.6
91.05483	14.9
93.07039	23.5
95.04954	20.9
95.08614	21.7
97.06510	6.1
97.10165	19.9
99.04423	3.4
99.08078	3.8
103.47005	3.1
105.07014	12.0
107.04962	4.7
107.08600	19.3
109.06514	9.6
109.10161	12.9
111.04438	38.4
111.08062	12.6
117.06989	7.9
119.08573	19.7
121.06479	6.6
121.10147	14.5
123.04511	3.2
123.08067	36.6
124.41290	3.4
125.09583	14.3
125.28177	3.2
129.07013	4.6
131.08571	11.6
133.10139	3.5
135.08076	8.5
135.11716	9.9
137.09601	3.7
143.08571	3.4
145.10091	16.3
147.08017	6.6
147.11699	3.7
149.09592	7.9
153.12749	11.5
157.10123	7.1
163.11150	21.4
165.09058	4.0
173.09564	3.3
173.11665	3.0
181.12128	15.8
189.11261	11.4
191.10666	16.9
223.13214	5.5
227.12781	9.6
273.18439	19.6
291.19547	51.0
291.22830	4.9
309.20688	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	309.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	8.7
55.05503	15.5
57.03423	8.3
62.13473	7.3
67.05496	60.3
69.07062	42.3
69.40898	68.0
69.41309	11.6
79.05494	46.2
81.03419	52.0
81.07050	100.0
83.04964	10.7
83.08588	11.1
84.28056	7.6
91.05470	17.8
93.07050	31.8
95.04968	62.4
95.08586	65.9
97.06543	14.6
97.10186	15.5
103.04013	9.4
105.07011	19.1
107.08578	21.3
109.06551	10.8
109.10137	11.4
119.08590	10.3
123.04381	11.8
123.08038	15.0
133.10139	19.4
135.11844	7.8
151.11177	27.9
277.21616	13.4
291.19669	9.2
309.24918	10.7
309.29819	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.86935	2.5
55.01870	11.4
55.05511	25.5
57.03426	3.9
57.07046	3.7
67.05500	33.6
69.07065	12.5
69.48659	18.8
71.04993	6.5
79.05127	2.5
79.05498	25.0
81.03408	8.9
81.07052	100.0
82.07391	3.5
83.04974	19.1
83.08615	16.3
85.02888	7.1
85.06538	3.6
91.05483	17.0
93.07048	23.2
95.04955	17.1
95.08601	18.7
95.85287	2.4
97.06532	5.7
97.10172	20.9
99.04449	3.4
105.07023	16.9
107.04929	5.6
107.08591	13.0
109.06519	8.6
109.10145	17.3
111.04429	31.7
111.08065	9.7
117.07001	8.2
119.08592	15.7
121.06511	5.2
121.10149	14.5
123.08054	29.0
123.11672	2.2
125.09639	12.1
131.08545	9.7
133.06477	2.8
133.10092	4.6
135.08006	5.1
135.11682	11.3
137.09599	3.4
145.10065	11.5
147.08043	7.8
149.09622	4.1
153.12756	9.7
157.10074	2.5
161.13257	2.6
163.11174	20.4
165.09081	5.2
173.09686	3.7
181.12242	16.0
189.11226	10.5
191.10669	10.7
209.11617	2.3
223.13321	7.6
227.12776	8.7
255.17439	3.0
273.18527	14.9
291.19562	42.6
292.20139	3.0
309.20694	9.3
309.25769	2.3
309.32834	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	309.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68868	2.8
52.97277	2.5
53.03961	3.2
55.01875	5.0
55.05518	3.3
57.03430	10.8
60.74570	2.3
61.02942	4.6
62.54420	2.3
67.05489	2.8
69.03413	7.7
70.04079	2.4
70.05843	3.9
70.06264	8.7
71.04991	30.9
73.02898	4.9
74.49119	2.2
75.04484	13.1
81.03424	5.7
81.07064	2.5
83.04951	3.7
85.02902	100.0
87.04455	3.7
87.42020	2.8
91.05486	9.9
91.30312	2.1
93.07058	3.4
95.04959	2.8
97.02895	7.4
98.20797	2.9
99.04442	4.3
105.06979	4.0
107.08575	2.5
109.02855	7.1
109.06449	2.4
111.04455	4.1
117.07011	2.8
119.04942	12.8
121.06523	2.5
123.04515	2.6
123.08102	2.5
127.03915	4.5
128.06310	2.6
129.05478	20.0
131.06879	6.4
143.08649	3.4
146.05945	2.6
147.04404	58.0
147.06441	8.7
153.01845	5.3
165.05333	2.4
176.07098	3.9
177.07419	7.6
209.04506	4.3
245.11584	3.1
263.13467	3.0
309.11481	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	309.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.8
53.54131	1.1
55.01875	1.2
55.05501	4.3
57.03439	13.7
58.48391	0.9
59.05005	1.7
61.02911	2.9
67.05489	1.8
69.03412	4.9
69.07050	2.1
71.01344	3.1
71.02652	2.6
71.04989	30.2
73.02907	5.8
75.04476	14.4
78.60991	0.9
79.05478	1.5
81.03410	5.1
81.07046	1.6
83.04993	6.5
85.02901	100.0
87.04462	1.9
91.05470	3.6
93.07062	1.6
95.04955	2.0
97.02885	7.0
97.06519	1.2
99.04440	2.0
101.06007	2.4
103.03903	1.5
105.07013	3.0
107.04891	1.0
107.08573	1.0
109.02884	2.1
109.06503	1.2
109.10151	1.7
111.04437	3.3
119.04950	9.4
119.08560	1.3
127.03909	3.8
129.05472	20.3
137.30734	1.0
147.04407	31.9
147.06421	8.0
147.07492	0.9
147.08099	1.0
153.01816	1.4
172.06900	1.1
234.06685	1.9
235.07506	1.0
277.08575	4.3
278.09583	1.0
281.11749	2.4
291.08472	2.2
309.11169	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03937	3.6
55.01875	12.5
55.05515	30.7
57.03431	6.2
67.05499	29.4
69.07051	7.5
70.00686	12.0
71.04984	4.8
79.05490	32.5
81.03407	10.0
81.07055	100.0
82.98837	3.0
83.04987	24.5
83.08619	16.1
85.02905	9.5
85.06511	2.3
91.05468	19.2
93.07050	24.7
95.04967	18.5
95.08605	17.7
97.06483	7.3
97.10162	15.6
99.04449	3.8
105.07024	15.4
107.04935	8.5
107.08606	19.2
107.84550	2.5
109.06539	6.5
109.10120	10.6
111.04443	25.4
111.08074	8.0
117.07008	11.0
119.08583	19.6
121.06496	8.4
121.10138	10.7
123.08067	35.0
125.09621	15.7
131.08559	10.0
133.10124	4.4
135.08057	5.2
135.11697	8.3
137.09595	5.0
143.08557	4.5
145.10097	13.4
147.08035	11.1
149.09610	4.1
153.09097	3.3
153.12730	11.2
155.78093	2.8
159.11658	4.5
161.09662	5.9
163.11221	19.3
165.09131	4.7
171.11667	4.7
173.09557	3.5
181.12233	12.8
189.11189	8.5
191.10617	12.9
193.12315	3.2
197.83269	2.5
223.13318	9.9
227.12766	9.7
239.97926	2.4
245.18958	3.8
249.14835	4.1
255.17340	3.3
273.18570	20.1
291.19522	43.7
295.97104	2.7
309.20483	6.4
309.32831	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01858	0.8
55.05505	3.3
57.03417	1.1
57.07067	0.9
59.04988	0.8
62.08755	0.3
65.03931	1.1
67.05502	2.8
69.03422	2.3
69.07063	5.2
71.04995	0.7
71.09878	0.6
79.05485	1.8
80.25114	0.3
81.03415	2.5
81.06583	0.4
81.07050	6.2
82.07376	0.4
83.05013	0.4
83.08610	2.4
85.02924	1.6
85.06534	1.2
89.56351	0.3
91.05478	13.7
93.07048	2.8
95.04961	0.9
95.08609	5.3
97.02889	0.6
97.06508	0.8
97.10173	0.8
99.04427	0.7
99.08070	0.7
100.11231	1.3
105.07003	1.2
107.08578	3.2
109.02863	1.3
109.06521	0.6
109.10159	3.1
111.08052	1.4
111.11703	1.1
119.04935	27.0
119.08592	1.1
120.05254	0.4
121.10132	2.1
123.08084	0.3
123.10954	0.4
123.11691	2.2
125.09657	0.4
127.03944	0.7
131.08586	0.3
133.10149	0.6
135.11653	0.6
137.05978	0.5
137.13228	1.4
139.11194	0.6
147.04402	100.0
147.11719	0.6
148.04764	1.4
149.13235	1.4
151.07581	0.4
163.14812	0.8
165.05496	1.1
177.16396	0.4
178.07765	0.3
182.15433	1.7
189.07028	0.3
206.07271	0.6
210.14828	0.7
211.14769	0.3
219.08113	0.4
219.22424	0.3
221.09656	0.5
221.48250	0.3
234.06779	0.9
249.09334	0.8
265.08658	0.4
266.09354	0.4
277.08606	1.5
281.11734	0.8
291.08649	1.4
291.23083	0.3
291.26810	0.9
291.72617	0.3
294.08878	0.6
309.11060	1.4
309.14709	0.4
309.27771	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.01863	1.2
55.05503	2.5
56.96576	1.5
57.03184	1.0
57.03436	10.6
59.04999	1.6
61.02920	2.2
65.03904	0.7
69.03423	3.5
69.07039	0.6
69.68816	4.3
71.01356	2.5
71.04993	28.8
73.02918	5.1
75.04483	13.0
79.05487	1.1
81.03430	4.4
83.04985	6.5
85.02902	100.0
86.03249	0.7
87.04447	3.5
91.05476	7.4
93.07045	0.6
95.04974	1.4
97.02892	5.6
97.06544	0.6
98.97578	3.8
99.04458	2.4
101.06055	1.3
103.03939	0.9
105.07042	0.9
109.02883	2.3
111.04440	3.4
116.98635	2.2
119.04939	7.5
123.04478	1.1
127.03876	4.4
128.98654	1.6
129.04518	1.1
129.05476	21.6
134.45233	0.6
134.99663	1.3
145.04968	1.3
146.99640	1.3
147.04414	29.0
147.06450	9.4
165.05443	1.2
165.07619	0.7
168.09512	0.6
170.99574	0.7
189.00885	0.8
213.06526	0.6
219.01779	1.0
225.64813	0.6
237.02898	2.9
248.08191	0.7
291.08505	0.9
291.13046	0.7
309.11005	1.0
327.07568	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0605
Annotation	Fulvic acid
Peak:m/z	Relative Intensity
53.40298	1.7
55.01855	2.4
68.37622	1.3
70.04086	3.0
70.06595	1.5
71.20557	2.8
79.05495	2.5
81.03397	1.9
85.82004	1.3
91.05438	1.7
93.03422	1.6
93.07035	2.5
94.66100	1.5
95.04974	7.5
97.02904	1.5
103.79489	1.4
107.04986	2.7
109.02914	1.7
115.05434	10.2
119.04957	2.6
125.02335	2.9
127.03934	1.8
127.05373	1.9
133.02814	1.8
139.05426	3.2
143.04915	10.3
145.06473	3.0
147.04375	5.6
153.01859	22.0
153.03055	3.2
155.04898	13.3
159.04446	2.4
161.05962	6.6
163.03908	5.9
170.13876	1.5
171.03009	2.3
171.04402	42.5
173.06021	2.0
175.03867	3.0
177.05432	3.1
179.03386	8.1
181.01302	7.8
182.09984	1.8
183.04356	7.8
189.05440	21.9
191.03323	2.6
199.03897	43.8
201.05457	4.4
203.03348	9.6
205.04982	4.8
207.02879	1.8
211.03865	4.1
217.04951	33.5
219.02841	5.3
219.06529	4.4
227.03375	23.8
229.05023	15.1
231.02762	3.0
235.02609	2.6
235.06029	3.8
245.04459	33.5
248.24968	1.6
249.03899	4.3
255.03940	4.3
263.05499	5.7
273.03931	100.0
274.04318	2.9
291.01624	1.9
291.04977	52.2
309.02319	3.8
309.06042	6.8
309.14334	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	70.4
70.27036	23.7
70.27428	22.0
77.00893	10.3
77.29472	9.8
80.07224	10.0
82.01184	11.2
84.08131	45.4
88.24573	8.4
98.97621	48.2
101.00845	11.1
112.99966	9.0
114.36872	8.6
116.98610	33.0
117.31254	9.5
119.01911	44.6
124.99171	12.8
134.99696	14.5
137.02869	10.7
143.00189	47.2
145.03453	23.6
156.70183	8.8
157.03450	33.0
160.37796	11.5
161.01242	52.5
161.02983	12.0
162.00182	10.7
162.01729	8.9
169.01842	9.2
170.99710	15.5
173.83763	12.4
185.01369	15.3
189.00693	29.6
213.00757	11.8
214.96669	10.1
221.05127	50.6
231.01872	14.3
239.06107	100.0
249.02835	24.2
263.03122	21.3
263.06100	96.8
267.03702	17.0
279.05603	35.9
281.07242	79.8
291.03848	44.1
296.10654	10.9
309.04886	79.3
327.07806	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2217
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
55.05504	1.0
57.07068	0.8
65.12498	0.5
66.04720	0.5
67.05491	1.4
69.07060	2.5
70.04063	2.1
70.07392	0.6
70.09931	3.0
79.05480	2.0
79.90719	0.5
81.07058	4.5
82.07387	1.3
83.08623	0.9
91.05472	1.8
93.07024	2.3
94.04178	2.4
95.08619	4.2
96.08937	1.8
98.21362	0.8
105.07022	1.1
107.08569	1.1
108.08922	0.9
109.06490	1.2
109.10127	1.3
110.10493	0.8
119.08581	1.3
121.10150	1.2
122.03646	8.1
122.10489	1.0
123.11655	0.9
124.12048	0.6
135.11597	0.7
137.05971	100.0
137.13263	1.2
138.06290	1.9
147.11682	0.8
148.11989	0.6
152.11499	0.5
155.14296	0.5
164.15170	0.8
172.16939	1.5
177.05370	0.6
184.16994	1.9
220.03726	0.5
272.24496	1.3
290.25558	0.9
291.23312	1.5
308.22968	0.7
308.26541	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98243	0.2
55.01858	1.0
55.05510	7.7
56.01295	0.3
56.05032	0.3
56.55616	0.2
57.07073	2.3
67.05500	2.4
68.40270	0.3
69.07068	7.2
70.04063	1.0
70.50835	0.2
71.08623	0.9
71.58498	0.3
72.04507	0.5
79.05489	1.4
81.07055	2.1
82.06574	0.5
83.04978	0.2
83.08616	3.6
85.05284	1.4
85.10181	0.3
86.06059	0.8
91.05421	0.3
93.07030	1.1
95.08585	1.1
96.08103	0.6
97.10200	1.2
98.06050	13.4
107.08587	0.5
109.10145	0.6
110.09703	0.5
112.07613	1.5
121.10191	0.3
126.09144	0.5
135.11687	0.2
140.10648	0.3
154.12289	0.3
181.78743	0.3
308.29465	100.0
309.29785	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	308.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	18.6
55.05523	9.5
56.05029	11.8
57.07077	17.7
58.06593	2.3
58.99582	19.6
60.04525	2.1
61.02914	6.5
64.47363	1.6
68.05019	5.4
68.99790	16.4
69.99297	6.4
70.04059	6.5
71.01344	2.2
71.57413	2.5
71.57813	1.9
73.02927	16.0
74.99052	8.2
76.02222	4.6
76.91599	1.8
81.03395	1.8
82.06577	4.7
83.04913	1.9
83.07355	19.8
84.04497	2.3
84.08141	15.4
85.02914	2.1
86.00660	1.8
86.99066	16.2
87.00826	50.2
90.39967	1.9
93.00092	3.8
94.41869	2.1
100.07612	92.7
102.98550	12.4
105.00058	4.4
105.01858	20.2
116.01605	1.9
117.07054	1.6
120.99560	100.0
129.01831	5.6
133.01312	8.0
134.06364	8.9
136.07523	1.9
139.00580	2.4
140.05286	4.8
141.06052	4.1
142.06833	6.5
147.04402	4.7
148.00642	16.3
157.01279	7.3
160.27229	1.9
172.04289	8.5
173.98584	45.3
175.02419	9.9
175.11055	2.1
176.07301	2.2
187.06525	2.1
204.06897	24.5
206.99533	5.3
222.07964	2.3
257.86813	2.0
308.10211	2.6
309.11359	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77877	3.1
53.03941	5.5
55.01861	3.8
55.05497	11.0
56.96556	6.7
57.03421	5.0
61.02913	6.7
62.32535	3.8
69.03428	19.8
69.23739	7.4
69.24139	34.9
70.04076	23.0
73.02901	3.8
76.02221	5.5
81.03425	5.9
83.04971	25.9
85.02907	37.5
87.04469	3.5
95.04975	5.6
97.02877	15.6
100.30161	3.1
109.02857	9.7
111.04431	100.0
112.04755	3.4
127.03905	43.0
128.10699	5.2
139.03824	3.4
140.04263	4.4
145.04939	6.3
146.06000	11.3
146.11774	17.0
153.01794	7.9
169.05016	3.2
182.99654	17.9
198.50230	2.8
201.00679	68.6
219.01781	22.6
225.78754	3.8
227.03966	5.1
291.05093	3.5
308.15164	5.9
309.02728	8.8
327.03775	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	307.2629
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
50.62970	3.0
53.03946	4.6
55.05506	37.8
57.03440	3.3
57.07057	10.5
59.04991	8.1
67.05498	34.6
69.03419	3.8
69.07064	100.0
71.04974	15.4
71.08633	5.0
79.05494	17.8
81.07053	93.8
83.04981	5.6
83.08614	19.0
85.06538	8.4
90.54331	2.7
91.05480	21.6
91.34006	3.0
93.06477	6.1
93.07040	86.9
95.04966	23.2
95.08608	83.9
95.09132	1.6
97.06523	15.2
97.10164	12.0
105.07018	22.6
107.08592	46.7
109.06517	7.2
109.10152	38.7
111.08080	7.4
111.11722	12.9
117.07030	4.2
119.08591	19.7
121.10145	41.2
123.08035	5.0
123.11704	25.0
125.09595	5.7
125.13305	3.6
131.08601	5.4
133.10114	17.7
135.11687	33.1
137.09677	4.1
137.13274	24.1
139.11160	11.0
144.04204	3.4
144.09332	3.8
145.10107	8.3
147.11694	9.8
149.13255	31.7
159.11694	10.3
161.13222	9.3
163.14812	3.5
175.14749	4.0
177.16425	4.4
179.14351	5.6
184.02606	3.3
222.41814	3.0
248.19771	3.2
264.83862	3.2
271.24283	5.1
279.26703	3.3
289.25229	11.8
307.26276	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	307.2625
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03950	3.9
55.01869	3.5
55.05518	24.7
57.03436	3.8
57.07063	9.8
59.04976	12.6
67.05500	34.4
68.10780	3.1
69.03433	4.6
69.07069	100.0
69.28270	20.8
69.28687	5.3
70.04076	3.9
71.01359	2.7
71.04992	11.1
71.08652	3.0
79.05489	28.3
81.03397	4.1
81.07058	97.8
82.07395	2.4
83.04984	7.1
83.08630	17.7
85.06540	5.9
90.05489	2.4
91.05472	16.2
93.07045	51.8
93.07630	3.4
93.08752	2.3
95.04978	9.3
95.08607	76.1
97.06519	15.9
97.10196	5.7
99.08095	3.5
105.07014	20.3
107.08598	54.9
109.06522	10.1
109.10158	40.5
111.08093	5.6
111.11703	14.8
117.06981	2.9
119.08585	17.2
121.02881	7.9
121.06508	5.3
121.10143	27.1
123.08086	4.4
123.11712	22.8
131.08604	6.6
133.10120	15.5
135.11697	40.8
137.13261	23.8
139.11148	13.8
145.10179	4.1
147.11679	10.6
149.13257	20.8
151.11256	3.5
159.11697	11.1
161.13274	7.3
163.14790	3.7
167.14372	4.0
173.13324	4.5
175.14899	4.9
177.05489	3.0
177.12772	3.8
177.16388	5.4
187.11142	3.5
189.16441	3.1
213.05406	2.5
218.27109	2.4
219.66481	2.6
225.39003	2.6
263.66913	2.7
271.23987	3.5
275.20026	3.9
289.18207	3.3
289.25278	8.4
307.09644	4.7
307.26385	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	307.263
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
53.03939	5.8
55.05501	14.3
67.05494	29.6
69.07080	31.8
70.04063	4.6
72.38054	4.6
79.05476	20.1
81.06586	6.1
81.07057	100.0
83.08607	9.9
91.05474	14.5
93.07051	35.9
95.08054	6.2
95.08606	68.2
97.10178	5.5
105.07030	22.1
107.08592	42.6
109.06535	4.8
109.10156	29.7
111.11771	4.6
119.08560	18.4
121.06535	4.3
121.10132	31.4
123.08003	5.7
123.11725	33.0
125.09689	5.7
133.10118	16.5
135.11661	20.3
137.06004	18.6
137.09660	4.5
137.13243	16.4
138.06281	9.5
139.11163	13.1
145.10178	7.4
147.11664	15.3
149.13242	32.4
161.13213	14.0
163.14827	19.3
165.12708	5.3
168.82582	4.4
175.14799	16.8
177.16379	8.4
179.14368	7.0
186.46561	4.7
189.16505	4.3
197.15370	9.6
215.17921	5.1
231.21098	13.1
260.13181	4.2
271.24207	29.4
276.97626	4.6
289.25314	26.8
307.26263	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.263
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
54.13085	4.2
55.01874	5.0
55.05514	22.5
57.07056	9.4
59.04980	7.6
64.77792	5.7
67.05495	43.5
68.19597	4.3
69.07066	40.9
70.04060	12.1
71.04983	6.8
71.08619	7.9
71.58094	5.9
77.75573	4.1
79.05477	25.6
81.06593	5.7
81.07056	100.0
83.04989	7.1
83.08598	17.2
91.05469	13.3
93.07051	39.2
95.04973	14.9
95.08608	78.0
97.10182	6.9
105.07011	26.1
107.08607	45.1
109.06492	17.7
109.10179	40.5
111.08057	5.0
111.11715	11.3
117.07025	4.6
119.08567	28.9
121.06534	5.4
121.10155	34.2
123.11703	39.7
131.08543	7.6
133.10159	24.1
135.11656	23.5
137.05968	22.4
137.09657	7.1
137.13249	20.7
138.06311	15.4
139.11180	10.7
145.10167	11.2
147.11659	16.0
149.13263	33.7
151.11208	8.2
151.14746	6.2
159.11674	9.6
161.13234	9.2
163.14862	23.1
165.12735	21.2
175.14763	12.0
177.05478	8.4
177.16322	5.9
179.14326	11.2
197.15266	5.5
215.18040	9.5
231.21103	15.9
271.24182	20.2
285.10504	5.8
289.21692	8.8
289.25232	23.4
307.09872	5.3
307.19022	7.7
307.22742	11.3
307.26340	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46357	8.3
50.65940	7.7
53.03939	17.4
55.01861	52.4
55.05507	44.8
57.07074	9.1
57.21088	8.9
59.14519	8.3
67.05513	69.2
69.07055	38.6
71.51834	8.9
71.57603	13.8
74.31700	8.1
79.05499	62.1
81.03405	30.3
81.07048	100.0
83.00051	7.8
83.04987	20.9
83.05418	8.3
83.08625	12.3
91.05475	53.8
93.07047	52.2
94.74393	8.6
95.04971	29.9
95.08593	55.4
95.87556	9.4
97.06524	92.3
97.10166	18.8
105.07030	62.4
107.04940	33.2
107.08590	44.2
109.06502	9.7
109.10126	20.4
117.06988	14.9
119.08559	35.5
121.06514	16.3
121.10146	15.7
123.08100	10.4
125.09676	22.6
131.08528	19.7
132.12016	9.8
133.10121	33.5
135.08015	10.0
135.11688	15.9
147.11694	17.5
149.09612	33.5
153.09106	9.0
159.11713	18.5
163.11180	17.4
177.05420	10.6
177.12758	11.7
179.14296	15.9
219.17393	10.8
236.23878	9.3
247.20360	9.0
275.19998	56.5
307.18875	7.3
307.22900	13.1
307.26306	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	307.19
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03939	9.4
55.01876	12.6
55.05509	38.6
56.67970	9.2
65.92620	7.8
67.05489	35.1
69.07053	26.4
70.04057	16.7
71.58139	8.4
71.58546	10.7
79.05489	65.0
81.03397	9.5
81.07057	100.0
83.04994	12.7
83.08622	14.7
91.05472	51.5
93.07030	41.1
95.04951	27.0
95.08587	30.9
95.64044	7.5
97.10154	25.8
97.91892	9.7
105.07015	43.3
107.04947	17.2
107.08569	29.2
109.02870	19.6
109.06502	37.9
109.10128	18.6
111.04462	9.7
111.08090	9.1
117.07018	21.4
119.08556	37.3
121.02873	16.2
121.10158	13.5
123.08030	14.3
123.11653	12.4
125.09618	9.9
131.08554	20.7
133.10124	25.9
135.08018	31.9
135.11653	10.1
137.05986	46.7
137.09639	11.6
138.06293	41.8
141.38127	9.1
143.08600	12.4
145.06596	8.7
145.10133	15.5
147.07976	8.8
147.11639	10.3
149.09540	13.5
157.10011	9.0
159.08047	14.5
159.11755	7.5
161.09570	10.1
163.07561	12.7
165.12724	12.7
169.10114	10.3
177.05515	11.1
179.10722	22.6
189.09154	10.5
243.17395	21.3
261.18533	21.7
271.16730	10.8
289.17987	46.0
289.20953	11.5
307.23019	13.3
317.38058	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	33.6
55.01863	20.9
55.05500	11.7
61.52027	8.7
63.71984	8.9
67.05489	49.2
69.07060	55.8
69.34601	100.0
79.05470	25.0
81.03429	78.2
81.07047	35.2
81.08528	10.2
83.04974	13.8
91.05473	27.7
93.07034	32.8
95.04970	55.6
95.75135	8.4
105.07006	37.3
107.08581	13.7
109.06512	15.2
111.04429	15.9
117.07018	23.9
118.97813	8.6
119.08565	11.9
129.06975	12.9
131.08569	33.6
133.06445	10.4
133.10138	20.3
137.05975	16.4
145.06441	25.2
145.10109	27.7
151.11160	80.8
155.08495	12.4
173.09599	19.2
177.25224	8.5
187.11169	22.2
191.06973	20.5
201.16438	9.8
229.15958	12.2
243.17386	43.0
245.19052	10.7
261.18503	23.6
271.16974	24.5
289.17889	41.9
309.60712	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	307.1901
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
51.56998	4.9
53.03941	34.8
55.01861	24.4
55.05502	16.1
56.83059	4.4
57.07049	5.8
64.38365	5.3
66.04681	4.5
67.05505	46.0
69.07067	49.7
70.11942	15.7
70.12360	12.2
79.05485	35.4
81.03420	100.0
81.07046	41.9
83.04969	20.6
91.05485	35.1
93.07059	30.1
95.04958	52.5
95.08582	10.1
97.06518	6.5
98.20805	7.4
101.12900	5.1
103.67236	4.7
105.07021	26.5
107.08599	10.5
109.06490	12.0
109.10135	8.1
110.31076	5.9
111.04415	28.3
117.06998	29.6
119.08573	13.4
121.06480	9.7
123.04452	6.2
123.11675	10.6
128.06227	6.2
129.07002	20.0
129.62227	4.6
131.08565	47.2
133.06529	7.1
133.10161	25.5
135.04362	8.6
137.05960	21.2
139.07507	10.3
141.06972	7.1
143.08522	12.7
145.06453	18.2
145.10124	19.3
147.08084	7.0
151.11180	89.6
155.08618	11.5
157.10124	9.9
159.08003	10.7
159.11681	13.7
163.07578	14.6
163.11139	8.4
165.05508	7.2
169.10110	18.2
173.09644	26.7
176.70380	4.9
177.09131	6.3
177.12619	10.2
180.11523	4.5
187.11215	12.5
187.14880	6.1
191.07010	17.3
201.09169	9.4
201.16360	12.4
205.12189	11.8
215.17911	9.0
225.16388	16.0
229.15761	7.9
243.17487	58.1
245.19049	12.0
247.16966	8.7
261.18503	38.0
271.16806	35.5
289.17926	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72931	12.0
55.01853	16.4
55.05501	35.5
60.11359	13.1
67.05492	56.8
69.07055	27.0
70.18554	55.9
79.05498	75.3
79.21879	11.9
81.07055	100.0
82.98316	14.2
85.06524	13.9
91.05479	52.0
92.12273	13.9
93.07014	24.5
95.04938	36.6
95.08596	71.8
105.07043	30.1
107.04967	77.9
107.08595	25.2
109.06454	24.7
109.10115	24.3
119.08579	28.6
121.02864	18.3
121.10143	19.8
123.04318	13.6
123.08072	18.2
145.02863	23.5
149.09619	44.0
159.11707	15.7
177.05460	38.3
203.24207	13.5
293.44928	12.5
307.17560	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
70.63567	13.8
70.63944	28.3
84.04539	7.4
101.00869	10.4
119.01943	29.1
119.03220	8.4
155.01825	8.8
173.02950	11.1
183.98363	7.7
210.86011	7.4
259.45660	8.7
307.10431	100.0
309.92258	8.0
312.38434	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	307.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	22.6
65.37811	13.4
67.61087	17.2
70.27697	35.4
70.28087	28.5
74.99903	15.0
76.79905	14.0
82.86620	13.5
119.01932	36.4
127.23990	14.7
131.01842	15.9
145.03444	18.6
173.02831	15.3
221.41743	17.0
247.06726	25.6
263.63626	14.8
293.41550	16.9
307.07733	100.0
307.10126	87.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	0.8
69.93918	0.7
69.96550	0.9
71.45455	1.7
77.34418	0.9
98.97595	1.7
101.00881	2.2
103.00729	0.8
103.02442	1.5
119.01926	10.1
121.01683	1.8
121.03482	1.0
131.01898	3.2
133.03479	3.7
137.02881	1.9
139.02783	1.0
145.03455	4.1
149.03055	1.0
155.01903	2.5
157.03485	2.8
161.02974	2.6
162.99121	1.0
163.04587	4.0
168.14819	1.1
173.03017	3.9
175.04523	2.3
181.05586	2.9
203.03984	1.2
205.05579	5.2
211.02812	0.8
217.05591	4.7
221.05074	2.8
237.02837	0.9
241.05600	1.0
245.04974	1.0
247.06752	2.3
259.06750	1.0
265.07779	2.3
307.10172	100.0
308.10315	2.0
312.30212	0.8
326.75140	0.9
327.29736	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.3
55.01855	5.5
55.05494	7.6
56.96558	41.0
57.03430	18.0
59.05007	3.2
61.02923	21.8
67.05493	13.7
68.05005	2.4
69.03078	3.0
69.03430	53.6
70.03758	2.7
70.06573	2.4
70.10577	8.9
71.04993	9.5
73.02921	16.1
74.06069	1.9
77.00865	3.0
81.03418	41.2
83.01390	1.9
83.04974	25.5
84.04488	4.8
84.08146	2.7
84.96024	5.6
85.02901	100.0
85.06534	14.7
86.03239	3.0
86.06026	3.8
87.04438	10.3
91.03941	6.0
95.04951	5.0
97.02289	3.8
97.02886	55.6
97.96793	2.6
98.06052	3.4
98.12227	1.7
98.21484	2.7
98.97570	35.2
99.04443	16.4
100.99184	4.5
101.00873	7.1
101.06002	4.2
103.02438	5.2
103.07561	2.1
103.48446	1.8
104.07089	2.3
105.67384	1.9
108.04221	2.6
109.02863	13.7
110.97555	7.2
111.04433	8.6
112.02855	3.0
112.99102	5.5
113.06020	5.3
114.05458	2.0
115.02402	5.0
115.03939	2.6
116.07122	4.3
116.98625	28.6
119.00166	4.7
119.01911	41.8
120.02003	4.3
121.01613	3.1
121.03490	2.2
125.29086	1.7
127.02367	1.6
127.03910	20.8
128.98599	13.5
130.08623	2.7
131.00214	10.8
131.01880	18.7
131.03532	2.7
131.05507	2.4
131.07004	6.9
133.01697	4.2
133.03456	26.0
133.05255	3.7
134.03534	2.0
134.99628	12.3
137.02925	8.3
139.03871	2.3
143.00108	4.0
143.01883	9.0
145.01689	4.3
145.03424	19.2
145.05034	11.7
145.05983	3.9
146.99683	16.5
147.01366	2.5
147.03143	2.9
147.05040	6.2
148.03801	4.6
149.01215	11.3
149.02934	5.8
149.06581	6.3
151.02927	1.9
151.04515	5.2
151.06288	4.5
153.05753	7.7
155.01848	11.4
157.01651	2.2
157.03433	16.8
157.04472	2.1
158.03700	2.1
158.04976	6.1
158.99660	7.4
159.03233	4.9
159.05023	8.1
161.01196	7.4
161.02965	20.1
161.05623	4.4
161.06615	5.1
161.55685	3.0
162.06355	4.4
162.99149	3.2
163.02821	15.5
163.04224	11.0
163.06366	2.5
165.00720	4.5
166.04834	2.3
167.02274	2.7
167.05577	3.7
168.03563	2.3
168.06351	4.4
169.03374	4.3
170.06161	3.4
170.99660	2.4
171.05109	10.2
172.05142	2.1
173.01283	5.2
173.02953	21.0
173.06577	5.3
174.03494	9.1
175.02788	5.7
175.04488	21.2
177.00717	11.3
177.02721	1.7
177.04166	11.2
177.05988	4.8
177.54214	2.0
178.04997	4.9
179.02356	3.1
181.03831	8.1
183.04115	2.8
184.04918	5.2
185.02980	5.6
185.06598	7.7
187.01003	3.4
187.02744	4.6
187.04527	10.8
187.06145	3.5
189.00740	5.1
189.06091	8.8
189.36171	2.2
191.02286	3.2
191.03990	4.0
191.07675	2.4
193.03693	4.1
195.01711	3.2
195.05315	3.0
195.07085	4.0
199.04558	4.4
201.00650	2.8
201.05956	4.0
203.03938	6.2
203.07652	9.7
205.02040	2.2
205.03769	5.8
205.05589	4.7
205.07333	2.5
208.99681	2.1
211.04433	4.6
213.05937	2.6
215.00386	3.7
215.04002	3.4
215.07669	6.3
217.03801	3.1
217.05568	3.9
217.07491	4.9
219.01743	13.7
219.07130	5.4
221.03148	2.4
221.05084	23.3
223.04640	3.1
225.06007	2.8
226.06027	6.8
229.01698	2.5
231.07198	9.4
233.08760	3.8
237.02798	36.2
243.08334	2.1
245.05145	11.8
245.08585	3.5
247.02951	7.1
247.06691	10.9
255.03923	4.5
257.05032	6.2
259.06747	11.1
260.06714	2.4
265.08072	12.1
273.07910	2.4
275.04242	2.8
283.06653	2.7
295.07095	4.5
301.07553	2.7
305.10791	17.6
306.11041	4.3
306.14529	2.0
307.07581	36.6
307.12561	8.7
315.09256	5.6
316.09076	2.3
319.08670	3.1
321.10568	12.1
325.07990	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	307.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35700	1.5
56.96553	9.4
71.56060	2.5
77.15783	1.4
84.96023	1.5
90.58844	1.3
97.02895	1.8
98.97569	11.9
101.00877	2.5
116.98637	9.3
119.01917	14.7
128.98579	1.8
131.01849	1.8
134.99684	6.6
137.02980	4.7
143.00156	8.6
145.03438	6.5
153.00836	2.5
158.99626	2.1
161.01215	7.7
161.02957	3.5
167.79510	1.6
177.00896	15.0
179.02348	2.3
185.02962	1.9
198.03204	1.8
205.00040	2.8
217.04105	3.4
217.96303	3.0
219.02007	19.7
223.53024	2.2
225.00923	1.9
230.94331	2.4
232.53426	2.2
243.02086	5.6
259.97540	8.3
261.03067	100.0
262.03287	3.0
284.04651	7.3
288.69839	1.8
301.98532	4.7
302.98523	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	100.0
59.99107	12.7
67.05496	1.3
69.07023	1.3
69.37312	3.2
69.37725	8.5
74.82673	1.1
85.07675	1.5
86.06058	20.9
87.45181	1.2
92.54638	1.2
95.04916	1.3
102.03735	3.0
106.06547	67.0
107.40898	1.1
116.05308	45.8
137.05971	4.0
142.12263	1.5
145.04295	12.5
201.10556	45.6
202.10817	1.5
208.05411	4.8
250.10124	3.3
306.16373	4.0
306.27982	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	306.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30045	0.5
64.91140	0.5
66.04711	0.7
69.07077	1.3
70.87558	1.4
79.05498	1.1
81.07031	0.9
84.92026	0.5
87.62425	0.5
91.05446	0.5
94.04173	3.4
103.43353	0.5
107.08567	1.3
109.10159	0.8
114.09168	0.9
122.03647	8.1
133.10100	0.7
135.11667	1.2
137.05972	100.0
138.06291	1.1
153.12709	1.1
170.15388	2.7
182.14041	0.5
182.15353	2.5
306.20612	0.7
326.30914	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01854	1.0
55.05512	8.6
57.07067	1.4
65.03928	0.6
65.94617	0.3
67.05505	12.3
69.07066	8.8
71.08615	0.5
71.58573	0.5
72.04554	0.5
74.97569	0.3
79.05495	3.7
81.06583	0.6
81.07055	10.5
82.06569	0.4
83.04982	0.4
83.08617	2.4
85.05281	2.8
86.06067	1.0
91.05474	1.1
93.07032	2.3
95.04949	0.6
95.08602	5.7
96.08125	0.6
97.10170	0.9
98.06053	18.3
99.06837	0.5
101.11324	0.3
105.07004	0.7
107.08588	1.0
109.10173	2.3
110.09718	0.6
112.07609	2.1
119.08570	0.5
121.10129	0.9
122.09664	0.4
123.11698	0.4
124.11245	0.5
126.09170	0.7
135.11719	0.5
137.05951	3.6
140.10690	0.9
151.85948	0.3
152.10762	0.5
154.12239	1.3
168.13878	0.6
172.37210	0.4
177.05623	0.3
182.15404	0.6
194.15378	0.5
196.17070	0.6
208.16934	0.9
222.18523	0.6
236.20062	0.4
306.27905	100.0
307.28268	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.9198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04519	16.8
55.05531	14.9
56.96562	55.4
60.28227	14.9
69.07052	14.6
71.58295	32.1
90.94821	18.6
91.68286	17.9
95.08537	17.8
98.97542	29.9
114.27814	15.5
116.98602	53.1
132.95784	18.7
134.99660	100.0
137.05952	32.4
153.00681	18.2
177.05493	22.5
220.88292	21.2
240.90971	38.7
242.90895	25.4
257.43643	17.6
283.98547	31.5
285.84113	18.0
287.27472	16.9
301.88947	30.0
306.27902	30.3
306.92047	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	305.1747
Annotation	Tanzawaic acid F
Peak:m/z	Relative Intensity
51.43694	8.5
55.01873	18.0
55.05501	34.7
67.05496	18.6
68.75902	7.9
70.13655	24.5
70.14052	19.7
79.05497	62.0
81.07065	14.3
91.05504	26.5
93.07036	45.8
95.04989	12.8
105.07050	18.8
107.04967	90.0
107.08628	14.1
107.63950	9.9
111.04436	100.0
117.07023	31.3
119.08607	19.3
121.06487	21.7
121.10150	21.9
123.89813	9.0
128.06250	10.9
129.07010	38.5
131.08594	26.1
133.10127	16.1
137.05975	21.1
139.07533	21.3
143.08595	33.8
145.10098	25.6
149.09627	38.0
155.08611	15.1
157.10127	24.9
159.11633	11.6
167.58571	8.3
169.10107	13.7
171.11618	11.0
175.11235	9.7
177.12796	32.6
181.10060	9.7
185.09590	20.9
187.11186	12.9
199.14867	28.0
203.10710	71.8
223.15024	16.7
241.15849	50.5
245.15456	15.2
246.89058	11.0
259.16928	39.0
269.15399	32.1
287.16403	53.8
305.17505	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	305.1745
Annotation	Tanzawaic acid F
Peak:m/z	Relative Intensity
55.01859	23.4
55.05506	24.6
57.03588	7.6
59.04954	9.2
67.05492	21.8
70.13690	50.8
79.05482	57.8
81.07056	23.4
91.05475	42.9
92.88364	10.6
93.07044	39.3
95.08592	11.0
99.45737	8.1
103.05482	8.6
103.95038	8.0
105.07014	21.1
107.04935	38.6
107.08600	18.9
111.04443	100.0
117.07000	41.1
119.08594	20.7
121.06450	10.6
121.10125	36.9
128.06184	20.2
129.07001	55.4
131.08556	41.4
133.06538	13.4
133.10112	29.5
135.11687	11.9
137.05971	21.7
139.07585	17.7
141.06996	13.4
142.07774	20.5
143.08527	59.2
145.10118	20.9
147.08061	12.4
149.09599	33.9
155.08566	19.0
157.06477	11.5
157.10112	52.8
159.08151	11.5
159.11682	19.2
167.08580	18.8
171.08051	34.5
171.11690	29.4
173.09576	12.8
177.12805	24.5
181.10106	29.9
183.11678	14.6
185.09665	34.3
185.13338	11.8
189.09059	10.2
199.07434	11.6
199.11244	30.5
199.14893	20.8
203.10699	65.0
209.13214	12.1
213.09035	10.2
213.16324	13.3
227.10622	23.6
227.14377	36.1
231.63087	9.5
241.15817	68.9
243.17377	25.8
245.15421	26.3
249.35748	8.9
251.14322	17.8
259.16916	69.0
261.18573	9.8
269.15378	88.8
287.16364	95.9
305.17462	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58111	0.4
55.01849	0.5
55.05496	0.5
57.03418	2.1
58.99581	1.1
61.02917	2.3
63.98698	0.5
65.03941	3.3
68.05025	2.4
69.03432	5.3
70.10645	0.5
71.01342	0.5
73.02906	1.6
81.03393	1.1
85.01122	2.1
85.02900	15.2
85.63103	0.5
87.04443	1.0
91.03936	1.0
93.98434	0.5
97.02886	3.3
98.00631	1.9
98.20641	0.8
99.02666	4.1
99.04439	0.9
103.03939	0.9
108.28235	0.5
109.02893	1.1
112.02199	0.5
113.02962	3.4
114.03775	0.5
118.03263	0.7
126.03735	28.4
127.03873	2.1
127.04540	2.5
144.04778	100.0
145.05075	2.2
174.05865	0.5
186.05821	3.3
188.94998	0.5
219.06866	0.5
229.37056	0.4
235.56717	0.5
254.20956	0.5
306.10004	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	305.1593
Annotation	Creoside I
Peak:m/z	Relative Intensity
55.05509	12.6
56.96555	10.9
57.03435	11.8
57.41981	8.0
67.05490	13.1
69.03426	30.0
69.90368	57.7
71.04990	34.0
72.07257	10.5
79.05487	14.9
81.03418	24.2
81.07016	11.8
83.04994	15.9
83.08618	10.2
85.02903	33.3
91.05480	15.5
95.04970	38.9
97.02895	17.8
97.06522	9.1
97.10178	11.2
97.41087	8.3
103.05463	10.2
107.08593	39.9
109.02880	11.4
111.82240	8.7
125.09618	62.7
127.03914	27.8
131.04936	10.8
136.07588	16.9
137.02330	100.0
137.03320	12.6
139.04993	10.8
143.08716	9.8
143.10654	44.6
145.06517	9.3
149.02313	11.1
149.05977	24.6
153.01823	91.0
167.10704	22.5
225.68416	9.1
231.02582	11.5
231.06612	13.7
259.06036	14.1
287.00934	10.9
287.14148	15.7
305.02097	44.5
305.10556	11.7
305.15125	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	305.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
54.77583	1.4
55.01857	5.3
55.05492	1.7
56.96563	100.0
57.03428	7.2
61.02911	7.8
61.12597	1.6
67.05510	2.3
69.03421	21.7
70.14487	1.6
70.36651	1.5
70.98122	11.7
71.01318	1.8
71.04981	4.9
71.48032	3.6
71.95252	3.5
73.02899	6.2
73.80267	1.9
74.97588	2.8
79.01820	2.2
80.02166	1.8
81.03409	16.2
82.71802	1.6
83.04948	3.6
84.08131	2.5
84.10476	1.5
84.96029	7.0
85.02902	42.6
85.06525	3.3
86.06063	1.8
87.04433	3.0
88.99149	9.0
89.55118	1.8
91.03947	3.3
97.02889	27.2
97.30627	1.6
98.06025	2.0
98.97580	54.5
99.04454	6.2
101.00877	5.0
102.96996	2.5
104.70839	1.8
107.00220	4.2
109.02872	5.5
109.94767	1.6
110.33710	1.7
110.97559	5.6
111.04431	2.7
112.99151	2.8
115.02401	2.5
116.97821	3.7
116.98615	51.4
119.01919	16.6
121.01665	2.2
124.95456	2.6
124.99132	2.8
125.02356	12.9
125.03104	2.0
127.03915	12.4
128.98587	12.8
129.03955	2.4
131.00143	6.8
131.01886	13.0
131.05557	11.1
133.01674	3.5
133.03462	12.4
134.99649	34.1
136.06163	3.2
137.02934	2.8
139.03975	1.7
140.98520	1.9
141.01143	2.0
142.96516	9.8
143.00194	8.3
143.02046	3.2
143.03389	40.0
144.04779	4.1
144.06525	2.5
145.01675	2.7
145.03447	7.9
145.04921	4.5
146.99617	13.8
147.05064	3.0
148.03827	3.2
149.01207	6.5
149.02977	2.1
149.06589	26.4
151.02740	2.5
151.04477	3.8
151.47372	1.7
153.00661	4.8
153.01820	16.8
154.02106	2.7
155.01865	6.9
157.01740	3.2
157.03415	4.9
158.99644	9.4
159.05038	4.2
160.97559	8.6
161.01241	14.7
161.02966	10.8
161.06606	11.0
162.99165	5.6
165.00693	8.5
166.04765	2.7
167.05534	3.4
170.96149	2.5
170.99625	4.3
172.97574	3.6
173.01549	2.1
173.02975	11.5
173.06577	9.3
174.99095	5.6
175.02794	3.0
175.04523	5.5
177.00740	10.9
177.04330	4.4
178.98582	2.2
179.02231	5.2
179.07639	5.4
184.97551	2.7
185.01289	4.1
185.02942	4.1
185.06584	12.4
187.04428	3.2
187.08167	2.4
188.97069	19.5
189.00702	9.0
189.06096	3.1
190.98628	16.3
191.02232	4.4
191.03880	2.4
193.00175	9.1
197.06619	5.4
199.04556	2.1
201.00745	1.8
202.98628	12.9
203.02238	8.3
203.04065	4.6
203.07599	20.9
205.00188	7.3
206.98122	21.5
207.01750	5.5
208.99718	4.5
209.06641	2.5
211.01228	2.2
215.07652	24.3
216.07913	2.1
217.00168	2.1
217.09154	5.1
219.01733	9.6
220.99702	11.5
221.03178	3.7
221.05054	18.2
223.01230	2.4
224.07217	2.0
224.99117	2.5
227.07617	2.4
230.98134	15.9
232.99632	10.1
235.01271	3.5
237.02748	15.3
239.00732	2.7
239.07506	5.4
244.99763	5.8
245.05089	6.9
245.08730	3.8
248.99182	7.5
255.03995	1.9
257.08694	2.8
263.00787	17.7
268.76309	1.9
275.09760	6.4
281.01810	13.4
281.04849	2.1
295.07050	8.2
305.01752	4.9
305.05371	6.1
305.11993	98.5
306.11566	2.4
323.06415	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	305.0652
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
52.31654	1.0
53.03926	1.2
55.01851	2.6
55.05495	1.1
64.60770	0.9
65.03912	4.3
67.01850	2.2
67.05482	2.1
68.99781	5.5
69.03418	4.0
69.07027	1.0
69.42925	6.8
71.04974	0.8
79.05485	1.4
80.93479	0.9
81.03413	1.8
81.07043	3.3
83.08558	1.1
85.02921	0.9
85.13561	0.8
85.50863	0.9
89.03931	0.9
91.05513	1.8
93.03370	1.4
93.07028	1.4
95.04971	5.2
95.08613	1.7
97.02877	3.1
97.06451	0.8
97.10178	0.9
98.20827	1.9
102.58691	0.8
103.05408	1.5
105.03375	2.7
105.07033	2.1
107.08595	2.2
109.02876	1.7
109.06555	1.0
111.00777	1.2
111.04437	6.7
115.05505	0.8
116.98650	1.1
119.08565	1.7
121.02881	12.9
123.04417	59.2
124.04739	0.8
124.07561	2.3
125.09609	2.2
127.03911	2.7
129.07005	2.4
133.02835	3.4
133.06453	0.9
133.10136	1.6
135.04395	3.8
135.11691	0.9
137.02310	3.6
139.03860	5.5
139.05424	1.4
147.08029	1.3
149.02332	63.8
150.02980	2.7
151.03868	2.9
153.01819	100.0
154.02251	1.0
157.06528	3.9
160.05159	1.1
161.02312	6.5
163.03963	1.2
163.07611	1.2
167.03406	11.2
167.04791	1.4
171.02876	1.8
171.04333	0.9
173.05940	1.3
175.03859	1.0
175.07527	2.1
179.03365	3.8
185.05945	9.9
191.08170	1.2
195.02876	14.0
203.03366	2.5
203.06955	1.0
206.08736	0.9
213.05443	13.3
217.04813	1.4
231.06519	49.0
241.04893	6.1
258.05179	2.2
259.05997	50.0
259.14258	1.0
262.36197	0.8
287.05426	12.5
287.13809	2.5
287.16611	1.2
305.02179	1.9
305.05603	20.1
305.11340	0.8
305.14749	2.0
305.17841	1.2
307.69299	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.8
57.03416	3.3
58.64756	2.3
60.04514	11.5
60.24700	2.6
61.02927	5.6
62.78213	2.3
68.42022	2.2
69.03426	18.6
69.07069	52.8
71.08636	27.9
73.02920	2.7
76.87325	2.3
81.03423	12.7
84.04512	3.5
84.39572	2.5
85.02905	86.8
86.02425	10.5
96.08130	5.7
97.02895	52.6
97.06554	5.8
98.21481	10.3
103.03932	8.5
109.02847	14.7
110.47523	2.5
114.09164	22.6
116.99596	2.8
118.97938	2.5
123.04432	3.8
127.03921	16.8
137.02353	10.7
138.09134	6.8
142.07573	5.6
142.08636	94.5
145.04955	5.7
156.10225	4.9
184.09692	100.0
189.01874	3.3
201.01903	2.5
208.09700	18.0
217.01270	5.7
223.07568	8.9
229.95599	3.4
245.00888	7.1
248.02719	3.0
249.03900	9.9
250.10782	11.6
258.00858	3.3
291.01474	3.5
304.01697	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	304.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
55.05496	0.7
56.96553	0.9
57.03413	0.7
60.07569	0.4
61.02910	0.6
67.05501	0.5
68.05017	0.8
69.03428	3.4
69.07054	0.5
69.75597	1.8
69.76009	0.8
70.06589	0.6
71.04982	0.5
73.02901	0.6
79.05488	5.3
80.05012	1.0
81.03407	1.2
81.05788	3.8
81.07053	4.2
82.06570	1.0
85.02901	4.4
86.06055	0.9
87.04440	0.5
91.05495	0.4
94.06555	1.1
95.04981	0.5
96.04484	1.9
96.08128	9.9
97.02884	2.0
98.06038	0.4
99.04443	0.5
100.07613	0.4
106.06548	1.0
109.02831	0.6
109.05292	0.7
110.06033	1.0
111.88720	0.4
112.07598	1.5
116.98602	0.5
124.07584	100.0
125.07915	1.4
127.03885	1.6
141.05429	0.4
142.08621	15.5
143.03450	0.5
153.01860	0.9
174.02698	0.5
181.09311	0.4
202.02118	0.6
258.01157	1.1
276.02158	1.0
286.00540	0.5
289.35855	0.4
304.01718	5.3
304.05261	0.9
305.12109	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02134	2.0
53.03938	5.6
55.01866	6.6
56.96562	100.0
57.03429	9.2
61.02919	15.0
67.05494	2.7
69.03426	36.6
69.03764	3.2
69.77509	4.5
69.77921	10.1
70.06596	3.7
70.97763	2.8
70.98106	12.2
71.04996	3.2
71.95255	3.6
73.02924	10.6
74.97602	4.4
77.06475	2.1
81.03412	17.9
83.04991	3.5
84.96043	5.8
85.02901	83.2
87.04497	7.2
88.99171	9.0
91.03957	2.9
92.76712	2.2
93.07043	2.5
97.02884	58.2
98.97577	34.5
99.04455	7.2
101.00838	2.7
107.00220	3.1
109.02889	11.6
110.97588	4.3
111.04456	2.5
116.98611	39.9
119.01939	12.2
124.99168	3.0
125.02346	73.2
127.03928	18.1
128.98619	11.4
131.00192	6.6
131.01930	6.2
133.01631	3.7
133.03484	2.9
134.99635	34.9
135.00517	3.1
135.05074	2.7
141.01143	4.2
142.01416	2.2
142.96550	8.6
143.00191	6.8
143.03384	87.3
144.98064	2.3
145.04991	6.0
146.99635	14.4
149.01300	4.7
149.06624	4.3
153.00728	4.1
153.01837	29.8
155.01900	2.9
157.03526	2.5
158.01280	2.8
158.99672	8.2
160.97595	11.6
161.01247	15.4
161.03000	8.5
161.06638	8.4
162.99118	5.2
163.02747	2.4
163.32693	2.3
165.00652	13.6
167.02275	2.5
172.97598	3.6
173.02992	5.7
174.99199	5.9
175.02779	2.3
175.04361	2.9
177.00714	10.7
179.02225	4.2
179.07695	3.3
183.01822	2.5
184.97540	3.8
185.01292	2.4
185.02904	2.6
185.06609	4.4
186.99344	2.3
187.04558	4.3
188.97072	22.8
188.98520	2.7
189.00751	7.8
190.98616	16.7
191.02283	5.0
193.00137	11.6
195.01888	2.5
201.00764	7.6
202.54808	3.0
202.98679	11.9
203.02304	6.5
203.04045	4.1
203.07710	9.7
205.00177	12.0
206.98138	16.8
207.01793	8.0
208.99677	5.2
211.01228	2.6
213.92944	2.6
214.98795	3.7
215.05882	2.2
215.07735	9.4
219.01715	11.2
220.99768	8.2
221.05164	6.7
223.01381	5.7
230.98145	12.1
232.99738	8.7
234.99138	6.8
235.01259	3.8
237.02742	12.3
244.99677	24.1
245.05270	5.0
248.99290	7.1
263.00754	51.1
275.02197	2.6
275.09729	2.8
277.02722	3.9
281.01822	12.4
295.07050	9.0
305.02161	5.9
305.05637	5.1
305.12042	78.4
317.01773	3.9
323.06522	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	304.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.8
57.03428	6.2
59.42770	2.2
60.04523	11.6
61.02924	6.7
69.03426	22.5
69.07068	63.2
70.40854	8.4
71.05019	2.6
71.08629	27.1
73.02904	3.9
81.03425	13.0
84.04508	7.6
85.02902	87.5
86.02423	10.1
96.08152	6.2
97.02889	59.8
97.06521	8.3
99.04474	6.2
103.03956	6.6
109.02867	19.0
114.09172	21.1
127.03926	17.9
130.17422	2.2
138.09131	6.0
142.08627	100.0
142.09749	4.8
145.04919	3.4
156.10223	2.7
161.02319	2.8
179.38441	2.2
183.49139	2.4
184.09682	97.4
189.01889	2.2
208.09711	18.7
217.01297	5.0
220.09604	3.9
238.10661	4.5
245.00989	2.5
249.03972	6.3
250.10809	12.5
258.01315	2.4
266.72458	2.2
270.19672	2.5
276.02151	2.8
304.01669	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	303.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.5
55.01613	0.7
55.01866	3.6
55.05505	4.2
57.07052	1.2
61.56426	0.8
65.03925	2.5
67.01830	0.8
67.05502	7.1
68.99772	2.6
69.03412	3.4
69.07061	5.8
69.66573	1.0
69.66970	4.6
71.04988	4.0
71.17359	0.7
79.05489	4.5
79.99596	0.7
81.03398	1.2
81.07058	9.0
83.04964	2.7
83.08601	1.1
85.06521	3.3
85.98865	0.7
91.05479	9.3
93.07049	7.1
95.04954	4.9
95.08619	6.2
97.06529	3.6
99.04462	1.5
99.08083	1.2
103.05469	6.1
105.07028	7.2
107.04939	2.4
107.08591	5.1
109.02872	1.3
109.06545	1.7
109.10138	3.7
111.00813	2.0
111.04410	2.0
115.05455	3.2
117.07007	3.1
119.04924	4.3
119.08567	4.8
121.02840	2.7
121.06493	4.5
121.10137	4.3
123.04417	2.5
123.08051	1.4
123.11680	2.4
127.03825	1.0
128.06189	1.8
129.06985	1.5
131.04930	7.6
131.08572	2.9
133.02805	1.4
133.06491	1.4
133.10104	3.6
134.03615	0.8
135.04391	1.4
135.08055	1.4
135.11655	2.3
136.05156	0.8
137.02332	7.5
137.05997	7.3
137.09541	1.3
139.03906	2.5
141.06952	3.0
143.04936	1.7
143.08563	1.9
145.06496	5.8
145.10117	3.1
147.04413	5.3
147.11702	4.1
149.02356	1.4
149.05975	4.8
149.09621	1.1
149.13206	1.2
150.82846	0.7
151.03951	1.2
151.07539	9.0
151.11174	1.1
152.06174	1.3
153.01823	17.4
153.05461	4.2
153.06967	7.4
155.04919	3.0
155.08574	5.2
157.06522	1.8
157.10095	1.7
159.04402	2.3
159.08075	1.1
159.11691	2.6
161.05983	3.5
161.09525	1.2
161.13220	1.5
163.03929	3.2
163.07564	4.9
163.11227	1.2
165.01834	5.7
165.05489	3.1
165.06990	13.3
165.09137	1.0
167.07111	1.1
168.05731	5.5
169.06485	3.4
169.10089	1.8
170.07315	0.9
171.08098	0.9
171.11716	1.2
173.05988	6.0
173.13220	0.7
174.11519	1.1
175.07579	1.1
175.11189	1.0
175.14790	1.1
177.05452	3.2
177.08995	0.8
179.03438	1.3
179.06949	1.6
181.06461	5.7
181.08075	0.8
182.07239	2.6
183.02829	2.3
183.04448	2.7
183.08061	14.6
184.05022	1.4
185.05972	2.9
185.09636	0.9
185.13350	1.4
187.03943	1.9
187.07513	2.0
189.05490	3.4
189.09099	0.8
191.03354	4.9
191.07005	2.1
193.04958	4.9
193.06450	1.8
193.10088	1.1
196.05153	4.9
197.05991	5.6
197.09525	1.6
197.13136	0.9
199.07520	2.5
199.14752	1.4
200.08221	2.5
201.05470	11.1
201.09143	1.7
205.04926	4.7
207.04388	3.3
207.06322	1.2
210.06799	2.1
211.07520	15.7
211.10910	0.8
211.14833	0.8
212.08144	1.7
213.05479	3.1
213.09077	1.4
214.06213	1.1
215.07005	1.4
215.10655	2.8
217.04947	2.8
219.02847	2.2
219.06470	12.7
221.04280	1.7
221.09494	1.6
225.05354	1.4
225.09048	2.7
226.09738	0.9
227.07001	3.6
228.04155	1.7
228.07730	2.7
229.01468	0.9
229.04947	15.6
229.08514	1.4
230.05667	1.8
233.04367	1.1
233.08104	1.0
234.05057	1.0
235.06003	12.5
239.07013	5.1
239.10698	1.9
240.07829	0.8
242.09363	0.9
243.06622	3.7
243.10164	12.4
243.17198	0.8
244.07370	1.3
245.08102	1.4
247.06052	9.2
249.09109	2.0
253.08417	1.5
255.06267	1.1
256.07083	2.3
257.00891	1.5
257.04428	5.3
257.08063	2.0
257.11810	2.2
259.09589	1.2
261.07501	2.3
267.10190	3.4
267.21002	1.2
271.09613	18.0
272.10199	1.6
274.04724	1.5
275.01797	1.3
275.12726	2.8
285.00464	1.6
285.03891	2.6
285.11154	8.8
285.18909	1.0
285.22098	3.3
288.09824	4.4
303.01385	8.0
303.04947	100.0
303.12219	23.3
303.19711	1.8
303.23114	8.2
303.26501	1.6
304.05270	5.4
304.12659	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.3
65.03916	0.7
67.01863	0.4
68.99789	3.3
70.73019	1.1
81.03403	1.1
81.07024	0.9
93.03407	0.9
95.04958	1.1
99.08118	0.7
103.05471	0.4
105.07015	0.4
109.02855	1.5
111.00818	1.8
114.13832	0.3
117.07016	0.6
121.02878	3.6
123.04423	0.5
127.03867	0.6
131.04967	0.4
135.04370	0.8
137.02332	8.9
137.03299	0.6
139.05359	0.4
145.06494	1.2
147.04347	0.4
149.02309	0.5
153.01820	12.9
155.04900	1.1
161.05940	1.1
163.03880	1.9
165.01820	4.8
167.03412	0.4
173.05983	1.8
179.03452	0.6
183.02866	1.5
183.04440	1.3
187.03847	0.9
191.03401	0.4
195.02843	0.8
197.30367	0.5
201.05466	4.7
205.05157	0.4
205.75093	0.4
211.03946	0.6
213.05515	0.5
219.06516	0.8
228.04134	0.6
229.04939	12.1
239.03423	0.5
247.06032	1.0
257.04453	6.1
269.01062	0.4
274.04791	1.4
285.00598	0.5
285.03943	3.0
290.15012	0.4
303.04968	100.0
304.05334	3.3
309.24576	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32421	0.4
53.03946	0.5
53.97213	0.4
54.83694	0.5
56.96561	2.2
68.99770	0.4
69.03426	0.6
69.93934	0.9
69.94338	1.7
70.06569	0.4
71.04974	0.7
79.05489	1.3
81.03438	0.8
84.04477	0.4
84.82687	0.4
85.02894	1.5
86.94140	0.4
89.03916	1.1
91.05469	1.4
95.04944	0.5
97.02897	1.0
98.97583	5.6
107.04929	0.9
109.02904	0.6
116.98613	5.2
117.03375	1.5
119.04967	0.6
121.02859	0.4
125.97581	0.4
127.03930	1.9
134.99658	4.6
135.04373	1.0
137.02286	0.5
137.05894	0.5
141.05383	1.4
142.08650	0.4
145.02817	3.5
146.99596	0.8
147.04404	1.8
153.00726	1.0
153.01866	1.9
157.02841	1.7
158.99652	2.4
159.04228	0.5
163.03920	1.3
173.02351	7.3
175.03897	1.2
177.00677	5.9
177.05481	0.6
183.00739	0.8
185.02409	1.3
191.03453	2.9
195.01755	0.7
200.02319	0.8
201.01823	15.9
202.02216	0.5
203.03459	2.6
213.01825	1.3
217.01317	0.4
219.02994	2.3
229.01294	11.6
229.04837	0.8
231.02887	1.8
237.02769	0.8
241.01373	0.7
247.02364	11.0
253.90796	0.4
257.00821	21.6
258.01111	0.8
259.02289	3.1
275.01846	19.1
279.07126	0.5
285.00302	15.8
286.00815	1.4
303.01364	100.0
303.04788	6.5
303.10471	6.4
304.01733	4.8
321.02487	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.3
55.01868	16.1
56.96558	45.8
57.03427	30.8
61.02929	55.3
69.03428	52.5
69.70122	12.0
69.70528	32.7
70.98121	6.5
71.04998	13.6
73.02913	41.3
76.90260	5.1
81.03408	15.3
84.96056	6.7
85.02905	87.9
87.04450	5.4
91.03983	6.3
91.78644	4.9
96.01556	5.6
97.02880	48.8
98.06081	5.6
98.21416	8.0
98.97581	100.0
99.04411	8.2
109.02886	12.7
110.01305	13.3
110.97588	16.4
116.98616	59.7
119.01821	45.2
123.04477	6.2
125.01786	7.1
127.03928	37.5
128.02303	47.8
128.98575	30.9
131.00142	8.4
131.01889	20.7
134.02304	6.9
134.99661	19.0
137.02850	14.4
142.96463	7.8
143.00194	6.6
145.04974	10.1
146.99615	27.9
152.02286	10.0
155.02873	12.0
158.99640	23.6
160.97609	7.4
161.02881	17.8
162.01796	13.3
165.00746	5.9
165.06963	6.2
168.05704	5.5
169.02583	7.7
170.03311	8.8
170.99643	16.0
173.01158	7.5
173.02850	10.6
174.01877	7.8
174.99081	7.2
177.00710	23.9
177.02252	11.2
182.03355	15.8
183.02310	17.6
184.97569	7.2
189.00688	30.5
191.03867	53.8
192.02878	21.2
193.00194	10.7
199.00862	9.5
200.04401	39.6
200.54617	6.6
201.00485	7.0
201.02055	6.6
202.98607	10.6
203.53712	6.5
204.02838	14.6
207.01862	10.8
209.04916	8.0
211.55162	9.0
213.03455	41.9
213.53571	7.3
219.01797	29.7
221.04948	6.7
222.03903	14.3
223.05107	5.3
230.98189	8.7
235.01147	8.8
237.02797	19.0
247.02341	9.0
248.99121	7.2
256.58417	6.3
257.00861	13.4
263.00781	10.5
275.01797	8.2
281.01956	5.5
285.00394	12.9
303.01349	83.3
303.05035	16.9
303.10400	22.8
305.01816	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	303.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
65.03922	0.8
67.05492	0.3
68.99503	0.2
68.99792	2.7
69.03411	0.3
69.56957	2.0
81.03397	1.1
83.70871	0.2
84.90084	0.2
93.03380	0.9
95.04932	0.7
98.20752	0.5
103.05469	0.3
107.01212	0.3
107.04993	0.3
109.02875	1.4
111.00799	2.0
116.51657	0.3
117.06984	0.6
121.02849	2.3
123.04422	0.9
127.03931	0.7
131.04936	0.4
135.04338	0.6
137.02335	7.6
137.03375	0.3
145.06476	0.9
146.85994	0.3
149.02289	0.6
153.01825	11.8
154.02098	0.5
155.04941	1.1
157.06517	0.3
161.05957	0.9
163.03915	1.4
165.01830	4.9
166.02592	0.9
173.05959	1.4
179.03404	0.6
183.02873	1.6
183.04436	0.9
187.03877	1.0
191.03334	0.4
195.02931	0.6
201.05421	4.8
205.04938	0.9
211.03932	0.5
213.05476	0.3
215.03239	0.3
219.06421	0.5
228.04118	0.6
229.04945	10.8
230.05347	0.4
239.03502	0.5
247.05977	1.2
257.04449	5.6
274.04745	1.6
275.05594	0.3
285.03931	2.4
303.04971	100.0
304.05331	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	303.0497
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01858	0.4
59.04205	0.4
65.03939	0.6
67.01857	0.6
67.05505	0.4
68.99789	3.2
69.96172	2.1
81.03406	1.1
93.03414	0.9
95.04944	1.1
109.02863	1.4
111.00796	2.5
115.05462	0.4
117.06962	0.4
121.02864	2.2
123.04417	0.7
127.03896	0.8
128.06238	0.4
137.02332	8.0
145.06490	1.0
149.02318	0.9
153.01828	11.9
155.04890	1.7
159.04311	0.4
161.06042	0.5
163.03925	1.5
165.01852	4.5
166.02576	0.6
173.06003	1.6
177.05478	0.5
183.02875	1.7
183.04449	1.0
187.03935	1.0
201.05469	4.6
203.33833	0.4
205.05006	0.6
211.03993	0.5
219.06589	0.8
228.04204	0.6
229.04939	9.9
230.05405	0.5
239.03418	0.7
247.06006	1.7
257.04459	5.8
261.22910	0.4
274.04712	1.5
285.03967	2.1
303.04974	100.0
304.05362	3.5
304.29892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	0.6
65.74602	0.4
68.99793	3.2
70.21349	1.8
70.21693	0.4
76.29616	0.4
81.03406	0.8
82.05952	0.4
91.38636	0.4
93.03380	0.6
95.04955	0.8
109.02874	1.4
111.00792	2.2
116.23532	0.4
117.07018	0.6
121.02863	2.3
123.04411	0.6
131.04875	0.5
135.04427	0.6
137.01364	0.6
137.02344	8.3
137.03381	0.4
145.06480	1.2
149.02318	1.1
153.01828	10.0
155.04840	0.9
161.05931	0.7
163.03917	0.9
165.01851	3.6
166.02563	0.5
173.05957	1.7
183.02895	1.4
183.04424	1.0
187.03938	1.3
195.03003	0.5
201.05489	4.8
205.04950	0.5
211.03885	0.5
215.03407	0.5
219.06439	0.4
228.04219	0.8
229.04926	9.7
247.06046	1.5
257.04440	4.9
274.04694	1.4
277.08810	0.5
285.03961	2.2
303.04971	100.0
304.05298	4.4
314.22650	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	0.4
55.01857	0.8
56.96547	0.4
65.03943	0.4
67.01866	0.5
67.05506	0.5
68.99788	2.5
69.03419	0.5
70.89925	1.0
71.96026	0.4
79.05501	0.4
81.03407	1.0
81.07052	0.6
91.05443	0.6
93.03385	0.7
95.04973	1.2
95.08616	0.4
98.97581	0.7
104.30341	0.4
105.03376	0.4
105.07030	0.6
109.02853	1.5
109.10155	0.9
111.00789	1.9
117.07030	0.4
121.02853	2.5
123.08092	0.5
127.03902	0.5
131.04947	0.8
135.04398	0.7
137.02339	7.8
137.03387	0.5
145.06451	0.9
149.02333	0.7
153.01826	13.4
153.59026	0.3
154.02255	0.5
154.07803	0.4
155.04884	1.2
161.05952	0.9
163.03912	1.2
165.01837	4.2
166.02574	0.6
173.05995	2.0
183.02884	1.4
183.04453	1.0
183.08026	0.4
187.03915	1.2
193.15860	0.9
201.05429	5.0
211.03915	0.7
213.05409	0.4
219.02835	0.4
228.04076	0.6
229.04938	11.6
239.03336	0.6
243.10336	0.4
247.06012	1.3
257.04453	5.6
271.09891	0.4
274.04715	1.4
275.05496	0.5
279.24625	0.4
285.03900	2.7
291.09921	0.6
291.60129	0.6
301.02292	0.4
303.04974	100.0
304.05328	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	303.0495
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03951	0.2
55.01860	0.4
65.03924	0.6
67.01868	0.4
67.05489	0.3
68.99785	2.4
69.03445	0.5
70.13654	0.5
70.14069	0.8
81.03410	0.7
92.63104	0.2
93.03416	0.3
95.04958	0.7
96.99764	0.2
105.03400	0.2
107.04908	0.3
109.02857	1.1
111.00813	1.9
117.06989	0.5
121.02867	2.2
123.04406	0.9
127.03924	0.5
131.04910	0.7
135.04395	0.6
137.02341	7.9
137.03410	0.5
145.02762	0.3
145.06471	0.5
149.02322	0.7
153.01819	10.5
154.02232	0.3
155.04918	1.2
155.06021	0.3
155.44919	0.3
160.05215	0.2
161.05986	1.0
163.03902	1.0
165.01826	3.3
166.02563	0.4
173.05962	1.4
177.05490	0.3
179.03391	0.4
183.02869	1.3
183.04424	0.9
184.98410	0.2
187.03903	1.4
191.07129	0.3
195.02975	0.3
201.05453	4.8
205.04910	0.5
207.02924	0.4
211.03902	0.4
213.05502	0.5
219.06535	0.6
228.04163	0.7
229.04950	8.6
230.05319	0.4
239.03310	0.3
246.05261	0.3
247.06035	1.0
257.04440	4.4
274.04752	1.3
275.05219	0.4
276.17514	0.2
285.03882	2.0
286.04486	0.3
303.04977	100.0
304.05331	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
57.43040	0.2
65.03928	0.9
67.01848	0.6
67.05473	0.3
68.99786	3.0
69.03408	0.3
69.70084	1.7
73.35928	0.2
81.03400	0.9
93.03379	0.9
95.04938	0.9
107.04942	0.3
109.02894	1.2
109.66172	0.2
111.00790	2.5
117.06983	0.3
121.02846	2.7
123.04419	0.9
127.03921	0.5
131.04916	0.4
135.04359	0.5
137.02332	8.7
137.03392	0.5
145.02878	0.3
145.06494	1.3
149.02335	0.9
153.01822	12.5
155.04916	1.3
157.06604	0.2
159.04462	0.5
161.05984	0.7
163.03865	1.2
165.01831	4.5
165.03123	0.4
166.02560	0.7
171.02811	0.2
173.05975	1.7
177.05475	0.4
179.03299	0.4
183.02870	1.7
183.04413	1.4
187.03880	0.9
191.03400	0.5
195.02968	0.4
201.05458	4.5
205.04941	0.5
211.03896	0.4
213.05533	0.3
219.06544	0.6
228.04115	1.0
229.04944	10.9
230.05434	0.4
239.03409	0.6
247.06065	1.2
247.28333	0.3
251.35779	0.2
257.04471	5.7
258.04968	0.3
274.04697	1.8
275.05420	0.5
285.03925	2.3
303.04965	100.0
304.05286	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	303.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
59.49331	0.2
63.29822	0.2
65.03923	0.9
67.01857	0.6
67.05489	0.5
68.99786	3.9
69.03403	0.4
70.22028	1.0
79.40680	0.2
81.03423	1.3
93.03405	1.0
95.04958	1.2
105.03377	0.5
107.04922	0.4
109.02888	2.1
111.00787	3.0
111.04453	0.4
115.05437	0.6
116.55834	0.2
117.06992	0.4
121.02876	3.4
122.67936	0.2
123.04425	1.2
127.03893	0.9
129.06979	0.5
131.04918	0.7
133.83786	0.3
135.04385	0.6
137.02336	12.1
137.03395	0.8
139.05365	0.3
145.02820	0.3
145.06459	1.5
149.02359	1.2
153.01819	16.6
154.02199	0.4
155.04901	2.1
155.06049	0.4
157.06528	0.3
159.04381	0.5
161.05989	1.2
163.03888	1.9
165.01839	5.7
166.02579	0.7
173.05960	2.5
177.01813	0.3
177.05484	0.4
179.03349	0.7
182.53563	0.2
183.02867	1.9
183.04414	1.6
184.04964	0.3
187.03838	1.7
191.03391	0.5
191.07082	0.4
195.02907	0.6
200.04657	0.3
201.05460	6.7
205.04948	0.6
207.02777	0.4
211.03831	0.6
213.05537	0.6
217.04903	0.3
219.02753	0.2
219.06551	0.6
228.04221	1.1
229.04941	14.5
230.05261	0.6
232.03816	0.3
239.03467	0.6
245.04576	0.3
246.05287	0.3
247.06024	1.6
257.04431	7.3
258.04938	0.4
274.04733	2.4
275.05344	0.6
285.03952	3.1
303.04965	100.0
304.05319	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01643	0.6
55.01862	1.2
55.05492	0.6
65.03935	1.0
66.69112	0.5
67.01839	0.6
67.05486	2.1
68.99790	3.4
69.03410	1.8
69.07061	0.9
70.06575	1.4
70.55876	1.1
70.56270	1.3
71.04975	1.4
74.60354	0.5
76.84200	0.5
79.05467	1.8
81.03404	1.5
81.07051	4.6
85.02874	1.1
85.06517	0.7
89.22002	0.7
91.05453	1.7
93.03379	0.6
93.07027	1.1
95.04953	2.5
95.08590	2.6
97.06512	1.2
99.08084	0.8
103.05521	0.7
105.07024	1.3
107.04940	1.5
107.08541	1.0
109.02843	2.2
109.06543	1.1
111.00780	2.3
114.05531	1.1
117.06971	0.9
119.08551	0.7
121.02869	3.5
121.10098	0.9
123.04429	1.4
123.08038	1.5
127.03899	1.7
128.79314	0.6
129.07054	0.8
131.04921	0.9
131.06897	0.7
133.08437	1.1
133.10078	1.1
135.04401	0.7
136.07542	0.7
137.02339	8.7
137.03325	1.2
137.05948	1.1
141.09151	0.9
143.77040	0.6
145.02780	0.9
145.06447	1.3
145.10042	0.8
147.04391	0.8
149.02316	2.1
149.06006	0.7
151.07468	0.6
153.01834	12.6
155.04854	1.6
157.10252	0.7
159.09105	1.7
160.09515	2.7
161.05936	0.9
163.03877	1.9
165.01830	4.9
166.02631	0.7
173.02290	1.5
173.05980	1.9
183.02800	1.7
183.04404	1.5
183.08023	1.1
187.03879	0.9
201.01791	2.1
201.05481	5.3
203.03442	0.7
205.04962	1.3
207.02953	0.7
211.07571	0.9
213.05394	0.9
219.02940	0.8
228.04028	0.9
229.01247	2.1
229.04944	12.4
231.02814	1.3
239.03461	1.2
247.02348	1.3
247.05974	1.2
255.11223	0.6
257.01056	3.5
257.04425	6.8
259.02502	0.6
271.09567	1.0
274.04599	1.3
275.01785	2.6
275.05389	1.1
285.00256	3.8
285.03357	4.0
285.11890	2.5
286.12674	1.5
303.01315	15.3
303.04916	100.0
303.12384	2.6
303.22812	0.8
304.01822	1.3
304.05225	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	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01857	0.8
56.94157	0.4
63.65551	0.4
65.03935	0.9
67.01842	0.7
67.02211	0.4
67.05475	0.8
68.99780	3.3
69.03419	0.8
70.23219	1.2
71.04963	0.5
74.65842	0.4
81.03411	0.9
81.07046	1.4
91.05466	1.0
93.03381	0.7
95.04969	1.4
95.08611	0.8
97.06509	0.5
99.08091	1.8
105.07005	0.7
107.04974	0.6
109.02866	1.3
111.00804	1.7
117.07019	0.6
121.02869	2.0
123.04417	0.7
127.03909	1.2
131.04924	0.9
135.04474	0.6
137.02338	8.9
137.03349	0.5
145.02817	0.8
145.06473	1.1
147.04437	0.5
149.02333	0.9
149.06013	0.9
153.01822	11.2
155.04932	1.6
161.05930	0.9
163.03889	1.8
165.01819	4.5
165.06967	1.1
173.02373	1.4
173.06017	2.3
183.02870	1.5
183.04411	1.3
183.08138	0.7
185.06006	0.5
187.03912	1.4
191.03362	1.2
201.01764	3.8
201.05428	5.6
203.03409	0.5
205.04976	1.0
211.07613	1.2
219.02872	1.0
219.06415	0.7
225.09323	0.5
229.01466	2.2
229.04941	11.3
229.62820	0.6
231.02704	0.6
243.10085	0.4
247.02403	2.2
247.06003	1.2
257.00821	5.1
257.04453	6.6
259.02435	0.7
271.09476	0.9
274.04709	1.9
275.01868	4.0
275.05023	0.6
285.00284	3.6
285.03903	1.9
288.10062	0.6
303.01358	23.3
303.04984	100.0
304.02054	0.7
304.05273	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01862	0.4
58.16464	0.2
65.03935	0.5
67.01841	0.5
67.05492	0.4
68.99786	2.4
69.03416	0.3
70.70522	0.8
74.56536	0.2
81.03402	0.8
81.07057	0.5
93.03405	1.2
93.07047	0.3
95.04959	1.0
97.85448	0.2
109.02888	1.2
110.03618	0.3
111.00791	2.0
112.09834	0.2
115.05462	0.4
116.61594	0.2
117.07053	0.5
119.08568	0.3
121.02850	2.3
123.04427	1.0
127.03874	0.4
131.04947	0.6
133.06476	0.3
135.04408	0.3
137.02341	8.6
137.03392	0.5
145.06476	1.0
149.02309	0.7
153.01822	11.1
155.04848	1.3
157.35068	0.2
161.05974	0.6
163.03899	1.1
165.01833	4.3
166.02625	0.9
173.05968	1.6
179.03349	0.3
183.02875	1.6
183.04402	0.9
187.03860	0.9
191.03380	0.4
195.02884	0.7
201.05475	4.3
205.04953	0.4
212.50101	0.2
213.05484	0.3
219.02855	0.3
219.06493	0.6
221.08630	0.2
228.04153	0.7
229.04955	10.3
230.05298	0.4
239.03378	0.8
247.06006	1.3
257.04410	5.3
258.05069	0.4
267.03125	0.3
274.04767	1.6
275.05530	0.3
285.03903	2.3
303.04971	100.0
304.05307	4.0
322.38748	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03941	0.4
54.96622	0.3
55.01867	0.6
55.05492	0.5
57.58218	0.3
65.03936	0.6
67.01856	0.7
67.05510	0.5
68.99791	3.0
69.03426	0.5
69.07076	0.4
71.09767	0.8
71.74460	0.3
79.05502	0.4
81.03401	1.2
81.07040	0.9
83.04963	0.4
83.30360	0.3
90.17554	0.3
91.05476	0.6
93.03372	0.8
93.07023	0.4
95.04974	1.6
95.08588	0.9
103.05473	0.4
105.03425	0.5
105.07042	0.7
107.04929	0.3
109.02866	1.3
109.10152	0.4
111.00788	2.4
111.36926	0.2
117.07024	0.8
119.08585	0.5
119.51877	0.3
121.02859	2.8
123.04417	0.8
127.03912	0.7
128.79182	0.3
131.04919	0.9
131.08640	0.3
133.10072	0.5
135.04390	0.5
137.02339	9.3
137.03392	0.6
145.02853	0.6
145.06476	0.9
146.94090	0.3
147.11687	0.4
149.02318	0.6
149.05949	0.3
153.01825	13.6
153.38841	0.3
155.04889	1.7
155.08591	0.3
157.06483	0.4
159.04379	0.4
161.05959	0.9
163.03905	1.5
163.05034	0.3
163.07544	0.4
165.01828	4.7
166.02585	0.4
173.02380	0.3
173.05965	2.0
173.13301	0.3
175.07610	0.4
177.05420	0.8
179.03418	0.9
183.02882	2.2
183.04439	1.1
183.08061	0.5
187.03831	1.4
195.02931	0.7
197.05794	0.4
201.05457	5.1
205.04973	0.9
211.03935	0.5
211.07648	0.4
213.05560	0.3
217.04967	0.4
219.06557	0.8
228.04160	0.8
229.04958	11.2
239.03418	0.4
246.05423	0.3
247.06169	1.6
257.04440	6.4
258.04990	0.3
271.09671	0.6
274.04752	1.7
275.05435	0.5
285.03976	3.3
285.22092	0.4
286.04385	0.5
303.04977	100.0
304.05280	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	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
55.01875	0.4
55.05519	0.7
55.14109	0.3
60.86307	0.3
63.13219	0.3
65.03931	0.6
67.01860	0.5
67.05489	1.2
67.74425	0.3
68.99786	2.5
69.03425	0.8
69.07072	0.4
69.66872	2.5
71.01340	0.4
71.04964	0.5
79.05487	0.8
81.03403	0.9
81.07046	1.8
81.97870	0.3
83.04951	0.5
83.08615	0.4
89.65224	0.3
91.05471	1.3
93.03387	0.4
93.07045	1.7
95.04962	1.5
95.08591	1.4
97.02886	0.3
97.06562	0.5
103.05456	0.9
105.07056	1.6
107.04951	0.5
107.08565	1.0
109.02852	1.7
109.06523	0.6
109.10142	1.0
111.00813	2.4
111.08076	0.4
115.05433	0.6
117.07006	0.6
119.04925	0.4
119.08557	1.2
121.02878	3.0
121.06484	0.7
121.10167	1.0
123.04403	1.0
123.08019	0.5
123.11710	0.4
127.03876	0.7
129.06955	0.4
131.04916	1.5
131.08522	0.8
133.10104	1.1
135.08031	0.5
135.11664	0.4
137.01364	0.6
137.02347	8.2
137.03349	0.6
137.06026	0.8
145.06433	1.4
145.10118	0.7
147.11693	1.3
149.02306	0.6
149.05960	0.5
151.07529	1.1
151.11157	0.3
153.01823	11.8
153.05322	0.4
153.07013	0.8
155.04898	1.2
155.08632	0.5
159.04428	0.4
159.11670	0.7
160.05164	0.4
161.05981	0.9
163.03893	1.8
165.01837	4.3
165.07008	1.9
166.02559	0.7
168.05739	0.6
169.06493	0.5
171.11656	0.5
171.64709	0.3
173.05975	1.7
177.05460	0.5
179.03458	0.5
181.06525	0.7
183.02866	1.4
183.04369	1.1
183.08104	1.8
185.05933	0.4
185.13264	0.5
187.03911	1.0
193.06438	0.7
195.02795	0.7
196.05223	0.5
197.13168	0.6
201.05482	5.1
203.14273	0.3
205.05113	0.3
210.81627	0.3
211.07550	1.5
213.05467	0.9
219.02888	0.5
219.06552	1.0
228.04115	1.0
229.01518	0.4
229.04941	10.8
230.05479	0.3
239.03470	0.6
243.10103	1.7
247.06068	1.3
257.00699	0.5
257.01544	0.5
257.04416	5.6
271.09717	1.9
272.10336	0.4
274.04688	1.2
275.05280	0.4
285.00800	0.6
285.03891	2.6
303.04965	100.0
303.22974	1.9
304.05374	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	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33662	0.4
68.99764	2.7
69.26432	2.5
69.26851	2.3
69.78164	0.4
70.69338	0.4
74.51261	0.4
81.03424	0.9
90.40367	0.5
93.03368	0.5
95.04947	0.9
103.05548	0.4
105.03410	0.4
107.04939	0.5
109.02850	0.7
111.00784	1.1
117.07036	0.4
121.02856	3.8
123.04436	0.5
127.03902	0.5
133.02930	0.5
135.04367	0.7
137.02339	8.0
145.02805	0.7
145.06425	1.0
149.02309	0.7
153.01817	9.8
155.04916	1.2
155.76421	0.4
161.05910	0.5
163.03879	1.7
165.01840	4.0
169.01291	0.8
173.05952	1.7
183.02837	1.3
183.04411	1.8
187.03865	1.2
192.97664	0.5
195.02969	0.6
201.05473	4.4
205.04842	0.5
211.03903	0.6
228.04147	0.6
229.04947	10.2
239.03287	0.7
247.06081	1.3
257.04474	5.1
274.04742	1.9
275.05399	0.7
285.03983	2.6
303.04968	100.0
304.05273	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47610	1.2
52.65093	1.3
56.96563	4.9
71.56989	2.8
78.29620	1.2
98.97581	4.7
116.98625	6.2
119.01894	7.4
133.50854	1.4
134.99670	5.3
137.02948	5.1
177.00955	20.6
178.01083	5.5
179.00751	6.3
217.04146	2.7
218.03951	1.5
219.02014	34.5
220.02156	8.0
221.01768	13.0
222.02010	2.3
225.01068	1.8
235.00027	1.4
243.02127	3.5
244.02344	1.6
261.03064	100.0
262.03159	35.3
263.02921	6.9
277.00943	2.3
278.97714	1.9
279.00699	6.5
279.03619	1.8
279.97308	1.6
284.04727	4.6
284.99805	2.5
285.04684	2.0
301.01047	5.6
302.01187	1.3
303.00995	6.2
303.05487	7.1
304.01169	1.7
320.98160	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	303.0133
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
52.12659	0.2
53.03939	0.3
55.01852	0.3
55.05512	0.4
55.46569	0.2
63.01693	0.2
65.03935	0.4
67.05490	0.6
68.99785	0.8
69.03416	0.4
69.07055	0.3
71.04967	0.4
71.56711	0.2
77.03931	0.3
79.05495	1.0
81.03400	0.5
81.07044	2.0
81.93649	0.2
85.02905	0.4
85.06493	0.3
85.87118	0.2
89.03909	0.9
91.05469	1.9
93.07041	0.5
95.04936	0.5
95.08607	1.0
97.02876	0.3
97.06527	0.3
99.04465	0.2
99.08089	1.5
103.05441	0.7
105.07002	0.5
107.04962	0.6
107.08620	0.2
109.02864	0.5
109.06504	0.2
111.00780	0.5
111.08064	0.2
113.02474	0.2
115.05424	0.2
117.03382	1.5
117.07001	0.4
119.04937	0.5
119.08587	0.5
121.02852	1.0
121.06489	0.4
123.04433	0.4
123.08039	0.2
127.03911	0.5
129.03354	0.5
129.07043	0.3
131.04900	0.6
131.08527	0.2
133.02869	0.4
133.06487	0.2
135.04352	0.5
137.02330	1.8
137.05983	1.3
141.09082	0.6
143.08617	0.2
145.02840	3.3
145.06494	0.2
146.05989	0.2
147.04401	2.2
149.02332	0.4
149.05972	0.3
151.03900	0.3
151.07539	0.5
151.74249	0.2
153.01816	2.6
153.05391	0.3
153.06982	0.4
155.04939	0.4
155.08519	0.4
157.02861	1.3
159.04352	0.2
161.05992	0.2
163.03877	1.6
163.07478	0.3
165.01846	0.8
165.06975	1.0
168.05684	0.3
169.01312	0.5
171.02838	0.3
173.02342	6.2
173.05957	0.4
175.03880	1.7
177.01814	0.3
177.05421	0.3
179.03403	0.2
183.00749	0.5
183.02858	0.4
183.04349	0.2
183.08060	0.9
185.02280	1.2
187.03836	0.3
189.01868	0.4
191.03387	2.5
195.22214	0.2
197.05908	0.3
199.07651	0.2
201.01817	13.8
201.05402	1.2
203.03362	2.1
205.01254	0.2
205.05074	0.2
207.02838	0.4
211.00304	0.4
211.03906	0.2
211.07565	0.8
213.01831	1.7
213.05394	0.3
215.10553	0.2
217.01364	1.1
217.04990	0.3
219.02927	2.4
225.09018	0.2
227.06868	0.3
229.01324	9.8
229.04791	2.1
231.02887	2.1
239.07034	0.4
241.01302	1.0
243.06441	0.3
243.10217	0.7
247.02373	9.6
247.06078	0.4
248.02989	0.2
257.00790	21.9
257.04184	0.8
258.01178	0.5
259.02356	3.0
271.09653	1.1
274.04547	0.5
275.01852	18.4
276.02335	0.6
285.00293	15.7
285.03741	0.7
285.11966	0.7
286.00940	0.9
288.09933	0.4
298.29395	0.2
303.01331	100.0
303.04916	25.1
304.01645	2.7
304.05276	0.8
321.02341	0.5
321.92169	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.6
55.01857	1.9
55.83074	1.5
57.03434	2.4
61.02927	2.3
65.03944	3.7
66.84711	1.5
67.05499	41.3
69.03419	18.8
69.07064	17.5
80.27542	1.5
81.03413	6.1
85.02905	44.3
90.08920	1.5
94.06557	2.1
95.04969	56.7
97.02889	44.5
99.04471	2.0
103.03954	3.2
109.02869	11.0
112.07604	33.5
113.06042	4.1
114.75784	1.6
124.07575	2.2
127.03918	7.6
136.07648	1.7
140.07060	100.0
145.04964	2.5
150.09157	1.5
154.08612	6.4
178.08708	2.9
182.08122	64.4
206.08116	13.6
218.07990	2.1
229.01367	3.0
236.09181	1.8
248.09248	9.3
275.01764	1.9
302.11810	2.9
303.01447	12.9
309.45749	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11386	2.4
54.87601	2.2
57.03425	5.0
57.78083	2.4
61.02915	4.0
66.44510	2.3
67.05499	38.3
69.03432	13.0
69.07066	17.2
70.17049	5.0
70.17441	5.3
73.02893	2.8
81.03409	7.6
85.02900	50.9
91.05510	2.6
91.42735	2.2
94.06571	2.9
95.04964	61.7
97.02879	46.8
103.03913	5.1
109.02879	9.1
112.07591	38.2
113.06021	3.1
122.05994	3.4
124.07610	2.4
127.03949	8.7
134.17311	2.4
136.07597	4.0
140.07062	100.0
145.04961	4.4
154.08650	6.6
178.08652	4.1
182.08125	71.7
206.08069	21.5
248.09152	9.1
271.77924	2.8
276.09186	2.9
303.01324	10.9
303.04547	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.3
55.01873	40.7
55.05262	2.9
55.05510	38.2
57.03437	60.2
59.04988	2.4
60.02142	2.8
61.02926	3.1
65.03912	1.5
67.05506	37.2
68.06242	1.6
69.03438	7.4
69.07069	14.9
69.93957	3.8
69.94340	3.8
70.04201	2.5
71.04985	4.7
73.02915	17.3
76.60658	1.9
79.05068	2.3
79.05492	34.0
80.06268	2.5
81.03428	8.1
81.07057	26.9
82.04192	7.3
83.04980	21.5
83.08624	15.3
85.02914	3.0
85.06541	3.6
87.04475	1.9
91.05479	25.2
93.07053	22.8
94.04209	1.9
95.04969	14.7
95.08589	9.4
95.55424	1.6
97.02881	2.1
97.06526	13.6
97.10169	21.6
98.07321	16.7
98.20834	2.1
101.06033	4.9
105.07027	14.0
107.04981	4.5
107.08596	18.3
109.06538	4.1
109.10168	8.1
111.08089	5.3
113.06036	2.1
116.04716	47.0
117.07011	5.0
119.08591	12.1
121.06537	2.0
121.10161	7.0
123.08093	4.6
125.06092	1.6
125.09636	23.9
129.05484	100.0
129.07028	4.8
131.08572	6.9
133.10155	8.1
135.08035	6.4
135.11679	4.8
137.09616	3.8
143.07043	23.6
145.10112	5.6
147.11690	7.7
149.09592	2.3
157.08612	51.5
157.10011	3.6
163.11136	3.7
164.11992	2.4
165.12762	2.8
170.58714	1.9
171.10201	16.5
175.11206	4.2
185.11748	4.3
189.11208	24.7
193.12285	2.5
199.13289	8.8
200.14081	10.1
210.12567	2.4
227.12755	7.1
230.66402	1.6
255.15833	1.9
301.03503	4.4
301.06863	2.1
301.16483	29.2
301.25357	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34846	6.6
53.22424	7.7
53.63045	7.5
53.86473	6.8
55.01866	50.5
55.05511	38.3
57.03422	56.2
67.05501	59.6
69.07033	11.4
73.02911	15.5
79.05490	36.1
81.07050	34.3
83.04967	20.6
83.08591	14.2
91.05475	30.6
93.07027	25.2
95.04950	24.4
95.08598	23.7
97.06544	10.7
97.10146	33.4
98.07295	14.7
98.20762	14.5
100.50950	6.9
102.51043	8.2
105.07030	22.3
107.08575	21.7
109.06513	9.2
109.10154	14.9
116.04689	32.4
117.07034	9.7
117.65493	8.5
119.08509	13.2
121.10134	13.9
125.09618	28.7
129.05466	100.0
129.06918	11.7
133.10074	14.3
135.08032	8.8
143.07042	22.7
145.10091	15.3
151.11237	9.7
157.08560	41.7
157.09789	8.4
164.83298	9.0
171.10208	10.7
189.11151	22.6
200.14102	11.4
227.12640	11.0
301.03366	31.3
301.06555	9.4
301.16504	33.4
301.21552	18.9
301.25250	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.03931	5.3
55.01851	5.9
55.05505	14.8
57.03424	5.5
57.07070	4.4
59.04995	3.0
65.03929	2.9
67.05505	17.0
69.03415	5.3
69.07066	16.2
70.04169	7.5
70.04578	3.4
71.04980	5.9
77.03885	1.9
79.05133	1.7
79.05492	18.5
81.03413	4.1
81.06025	2.1
81.07053	40.1
83.04963	5.1
83.08603	7.3
85.02913	11.4
85.06533	5.5
91.05474	35.3
91.34167	1.6
93.07037	44.4
95.04995	10.1
95.08600	26.6
97.02883	2.7
97.06509	6.4
97.10137	4.5
99.04416	4.1
99.08076	2.8
103.05423	2.2
105.06376	3.1
105.07029	31.9
107.04944	8.7
107.08577	22.9
109.02896	1.9
109.06501	6.2
109.10152	18.8
111.04413	2.8
111.08062	7.5
115.05483	3.2
117.07010	7.8
119.04938	6.5
119.08569	26.0
121.06509	8.1
121.10144	18.9
123.04428	2.8
123.08088	3.5
123.11691	7.5
125.05934	1.8
125.09613	3.7
128.06213	4.5
129.05482	3.0
129.06969	7.9
131.04956	2.3
131.08580	16.9
131.78029	1.5
133.06462	2.2
133.10124	18.3
135.04436	1.8
135.08011	4.9
135.11658	8.0
137.06010	8.2
137.09618	4.4
137.13316	1.9
139.07552	5.2
139.11168	3.0
141.06996	8.2
142.07788	6.8
143.08565	14.7
145.10123	26.9
147.08014	3.0
147.11690	12.3
149.05951	5.7
149.09584	5.4
149.13252	2.0
151.07643	2.6
151.11215	3.8
152.06180	14.4
153.06985	26.9
154.07637	2.4
155.04906	2.6
155.08569	6.2
156.09323	3.3
157.06497	3.5
157.10130	16.4
159.06749	1.9
159.08047	3.7
159.11681	30.2
161.09584	5.2
161.13232	6.5
163.11211	3.6
163.14880	4.6
165.07018	18.5
166.07686	1.8
167.07138	3.0
167.08537	6.3
168.05724	6.4
169.06470	12.3
169.10110	7.6
170.07274	9.0
170.10855	3.3
171.08052	3.3
171.11688	12.5
172.12483	2.3
173.09650	2.8
173.13293	12.3
175.11153	4.1
175.14845	2.8
176.06252	2.3
177.05469	4.0
177.06956	4.0
177.12755	2.4
179.08733	1.8
180.05698	2.7
181.06470	38.3
182.07178	7.5
183.04398	6.2
183.08092	8.9
183.11629	6.0
184.05270	2.9
185.09561	3.9
185.13293	16.6
187.07530	9.3
187.11162	3.1
187.14777	10.1
189.05333	1.7
189.12775	4.8
191.10901	1.7
193.01471	1.7
193.06456	3.9
195.08142	10.6
195.11617	3.7
196.05132	3.7
197.05974	13.3
197.13242	4.6
198.06744	22.8
199.07520	6.4
199.14915	9.8
201.12776	3.9
201.16396	3.6
203.14348	2.1
208.05177	5.0
209.05975	8.3
209.13226	4.7
210.06693	3.3
211.07521	7.9
211.14752	5.5
212.08199	4.2
213.05237	2.5
213.09113	19.3
213.12794	2.3
213.16374	13.6
215.07008	4.8
215.14331	3.5
223.07510	8.6
223.14847	5.0
225.05484	5.6
225.09007	2.6
225.16420	7.3
226.06207	20.7
227.06944	7.5
227.14287	4.3
227.17932	20.7
239.07050	3.0
240.07501	3.8
241.08559	20.0
241.15930	2.9
241.19531	2.0
242.09186	5.5
243.06563	3.7
243.17427	4.5
245.15302	2.1
251.07054	4.7
255.11252	3.3
255.17406	2.0
255.21048	5.8
258.08853	4.8
265.19553	6.8
269.08099	6.8
271.20764	2.1
272.10214	3.1
273.11142	2.6
283.09872	2.3
283.20575	20.0
286.08148	4.2
301.03522	13.4
301.10696	100.0
301.18243	3.7
301.21555	60.6
301.24512	2.1
302.11243	11.4
302.21896	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	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01871	35.6
55.05511	38.2
57.03148	3.4
57.03435	62.6
57.07067	2.7
59.04993	1.5
60.02151	2.0
61.02911	3.8
65.03921	1.8
67.05498	32.9
69.03431	9.4
69.07071	15.5
69.52019	12.7
70.04209	3.3
71.04984	4.6
73.02922	17.6
78.18938	1.4
79.05059	2.9
79.05490	38.4
80.06268	2.7
81.03413	7.0
81.07058	30.3
82.04186	6.9
83.04982	19.9
83.08612	14.3
85.06544	3.2
87.04449	2.8
91.05483	23.0
93.07039	24.0
95.04957	15.4
95.08612	13.5
97.02945	2.4
97.06533	12.0
97.10164	25.3
98.07305	10.6
98.21458	3.4
99.08047	1.7
101.06003	4.4
105.07032	14.8
107.04941	4.6
107.08592	17.1
109.06499	3.9
109.10154	7.8
111.08064	7.2
115.05382	1.5
115.07555	1.7
116.04704	42.6
117.06998	6.7
119.08578	10.7
121.06519	2.3
121.10145	9.7
123.08072	7.9
123.11736	2.2
125.09625	27.0
129.05478	100.0
129.07008	5.5
131.08566	7.4
133.10124	11.0
135.08022	5.7
135.11691	6.6
137.09630	2.1
143.07036	27.9
143.08359	2.1
143.08533	1.9
145.10100	8.3
147.08057	2.8
147.11676	6.7
149.09631	3.4
149.13338	2.7
153.09082	2.1
157.07312	2.3
157.08607	47.6
157.10002	4.9
157.32529	2.0
159.11615	1.8
163.11185	6.6
165.12750	2.4
171.10120	13.6
171.11516	2.4
175.11192	4.2
181.12201	2.7
184.12396	1.6
185.11748	5.4
187.14877	2.1
189.11217	25.0
191.10660	2.5
192.11453	1.7
199.13295	9.9
200.12396	1.6
200.13989	8.7
223.13223	2.0
227.12804	9.1
240.23224	2.5
279.74780	1.6
301.03497	6.7
301.13412	1.8
301.16489	28.3
301.21628	5.6
301.25287	4.3
301.29007	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.9
55.01630	2.9
55.01871	37.3
55.05506	37.6
57.03436	56.4
61.02919	3.5
67.05503	29.6
69.03419	8.5
69.07073	12.6
70.04204	2.7
71.04984	4.3
73.02914	20.5
77.95766	1.7
79.05070	2.5
79.05489	31.4
81.03411	8.9
81.07047	22.9
82.04192	7.7
83.04977	19.1
83.08624	9.3
84.58815	1.9
85.02894	2.5
86.15991	2.2
87.04435	2.0
91.05471	21.9
93.07038	16.5
95.04963	16.0
95.08595	8.3
97.02852	4.3
97.06522	12.6
97.10162	21.7
98.07293	8.0
98.21631	3.2
101.06023	4.0
105.07048	12.1
107.04969	4.2
107.08598	14.5
109.06505	3.1
109.10132	5.9
111.04395	2.7
111.08067	3.5
116.04710	40.0
116.05460	1.3
117.06993	4.7
119.08560	9.6
121.06458	3.6
121.10103	7.8
123.08070	4.6
125.09641	22.9
129.05475	100.0
129.07013	5.5
131.08542	8.7
133.10086	9.5
135.08035	5.1
135.11725	3.5
137.09613	3.1
139.04951	1.8
143.07024	23.1
145.10112	4.5
147.08189	2.3
147.11682	8.5
149.09599	4.1
153.09079	3.4
157.08598	40.5
157.09930	2.9
159.11461	2.4
163.11159	3.4
165.12711	2.7
171.10152	13.9
175.11215	3.7
185.11691	4.7
189.11195	21.7
199.13269	6.6
200.14015	9.6
220.53229	1.8
227.12733	9.2
301.03302	5.4
301.13998	2.3
301.16571	23.1
301.19861	2.4
301.21426	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.8
54.35312	1.6
55.01871	39.0
55.05507	35.0
57.03435	57.2
61.02902	3.3
63.04325	1.5
65.03936	3.0
67.05499	36.3
69.03430	11.3
69.07063	17.3
69.80065	1.4
69.83621	11.9
70.04201	1.6
71.01336	2.0
71.04975	6.6
73.02916	17.3
79.05059	2.9
79.05489	39.0
80.06264	2.4
80.41084	1.5
81.03409	11.8
81.06589	2.0
81.07050	32.1
82.04187	6.3
83.04974	21.8
83.08621	14.7
85.02879	7.3
85.06538	4.5
91.05477	42.3
93.07043	29.5
95.04961	17.7
95.08593	17.5
97.02892	3.0
97.06531	12.4
97.10169	23.0
98.07291	10.2
99.08063	3.1
101.06014	6.0
105.03426	1.6
105.07035	21.2
107.04952	10.8
107.08592	19.8
109.02850	1.6
109.06509	6.5
109.10146	11.6
111.04427	4.6
111.08062	6.4
115.05443	4.0
116.04709	36.4
117.07008	7.0
119.04933	9.7
119.08572	18.1
121.06531	7.6
121.10147	12.8
123.08063	9.5
123.11687	2.8
124.92168	1.5
125.09626	22.5
126.10475	1.6
128.06227	2.6
129.05473	95.7
129.06876	8.5
130.07729	2.5
131.08562	12.5
133.06439	2.5
133.10107	13.5
134.03668	2.2
135.04434	2.3
135.08022	7.7
135.11656	5.9
137.05991	7.9
137.09564	3.9
139.07504	3.7
141.06990	9.2
142.07727	4.1
143.07037	21.0
143.08578	5.5
144.05762	2.0
145.06448	3.2
145.10088	10.9
147.04413	3.4
147.08008	3.5
147.11681	9.6
149.05963	4.8
149.09628	4.8
151.03906	1.9
151.07568	1.9
152.06186	17.5
153.06990	27.7
153.09084	2.5
153.12715	1.8
154.06290	2.1
154.07739	3.1
155.08563	5.2
157.06473	2.9
157.08589	39.3
157.10097	9.8
159.07990	2.3
159.11646	5.0
161.05963	2.3
161.09677	2.5
161.13161	2.0
163.11195	9.7
165.07001	20.7
165.09090	2.3
165.12755	2.1
166.07640	2.1
167.07162	2.0
167.08514	6.4
168.05682	7.6
169.06512	10.5
169.10130	2.0
170.07262	7.4
171.07980	2.7
171.10185	9.6
171.11705	5.6
173.09599	2.5
173.13213	3.6
175.11200	6.4
175.14685	2.0
176.06152	1.7
177.05519	1.9
177.07018	3.8
179.08733	1.8
180.05699	2.7
181.06480	34.6
181.12210	1.8
182.07347	7.5
183.04433	5.7
183.07988	11.3
185.05991	2.4
185.09589	3.0
185.11728	2.8
185.13268	4.9
187.07481	11.0
187.14874	1.9
189.11203	21.6
189.12726	2.6
191.10635	2.1
193.12202	2.7
194.07236	2.5
195.07974	11.8
195.11664	1.8
196.05206	3.9
197.05962	12.5
197.13263	2.8
198.06711	21.3
199.07501	4.9
199.11295	1.9
199.13252	8.5
199.14856	3.7
200.14055	6.3
203.14229	1.9
208.05087	3.0
209.06029	10.0
210.06570	2.9
211.07547	6.7
211.14799	1.7
212.08269	2.2
213.09114	15.8
215.07063	3.9
221.05968	2.4
223.07561	8.7
223.14885	2.2
225.05492	4.6
225.09048	2.6
225.16377	2.3
226.06235	20.8
227.07022	7.9
227.12740	8.6
227.17934	5.1
239.07021	2.2
240.07825	3.0
241.08580	21.7
242.09320	3.3
243.06511	5.0
251.07025	4.7
255.21074	3.2
258.08856	5.3
269.08075	6.9
272.10495	3.8
273.11270	2.6
283.20563	4.0
286.08270	4.2
301.03510	17.3
301.07169	4.2
301.10684	100.0
301.16113	18.3
301.21515	17.5
302.11124	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	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.5
53.03929	4.2
55.01870	43.5
55.05268	2.8
55.05512	39.1
56.96565	4.1
57.03437	60.5
60.02143	2.7
61.02916	3.4
65.03934	2.3
67.05190	2.4
67.05508	36.0
69.03426	12.2
69.07076	21.1
70.13033	2.6
71.04989	6.5
71.58569	3.7
72.77242	2.1
73.02912	17.6
79.05500	36.5
80.45126	2.4
80.45732	2.4
81.03400	9.8
81.07057	44.7
82.04182	7.4
82.04640	2.5
83.04981	21.3
83.08620	15.9
85.02891	10.7
85.06529	3.0
87.04440	2.5
91.05479	43.1
93.07037	38.2
95.04959	24.4
95.08600	19.6
97.02892	5.1
97.06533	13.3
97.10172	27.8
98.07285	10.9
101.05997	3.5
105.07031	26.4
107.04945	11.6
107.08603	23.0
109.06489	8.7
109.10144	16.8
111.04449	5.8
111.08067	9.5
115.05448	2.9
116.04704	44.6
117.06986	9.0
119.04951	8.3
119.08569	18.8
121.06421	5.2
121.10146	15.7
123.08054	9.1
123.11678	3.6
125.09623	24.1
126.62609	2.4
127.03899	2.4
127.07504	2.6
128.06242	5.2
129.05479	100.0
129.07007	7.5
131.08591	14.4
131.09384	2.7
133.10132	16.5
135.08041	4.5
135.11668	8.1
137.05959	5.3
137.09610	3.9
139.07501	3.6
141.07011	5.3
142.07777	3.4
143.07014	22.6
143.08580	4.9
145.06491	4.4
145.10146	13.9
146.06941	2.2
146.59178	2.4
147.08047	4.3
147.11678	10.6
149.05920	4.9
149.09625	6.8
149.13261	3.0
151.11220	3.9
152.06230	12.4
153.07014	18.6
153.08975	2.7
155.08543	3.7
157.06546	2.9
157.08580	48.9
157.10089	10.9
158.11018	2.7
159.11652	6.7
161.09438	2.5
161.13231	3.1
163.11162	9.2
164.11928	2.8
165.07034	15.8
165.09105	4.2
165.12766	2.4
165.99448	2.2
167.08490	5.2
169.06435	6.8
169.10193	2.5
170.07269	6.1
171.08031	2.7
171.10197	13.5
171.11537	3.4
173.09590	2.8
173.13229	5.0
175.11137	4.9
180.05702	3.3
181.06502	31.1
181.12282	3.8
182.07219	5.7
183.04428	6.7
183.07997	7.0
185.09631	2.8
185.11661	4.2
185.13168	5.2
187.07513	8.2
188.02576	2.6
189.11195	20.0
189.12651	3.6
193.06584	2.8
193.12166	2.9
195.08031	7.3
196.05170	4.5
197.05971	9.4
198.06784	18.9
199.13234	6.2
199.14859	4.5
200.14053	8.4
201.16464	2.9
201.36951	2.8
205.12366	3.0
208.05266	4.0
209.06064	7.1
210.06618	5.2
211.07480	7.2
212.08244	2.8
213.09155	12.6
215.07140	2.6
223.07539	4.7
225.05476	4.1
226.06230	16.8
227.07042	4.5
227.10844	2.7
227.12802	9.9
239.07208	2.5
241.08574	19.3
242.09132	2.4
243.06552	4.6
255.11182	2.9
255.21095	3.7
258.08820	4.3
269.08032	8.0
272.10605	2.7
286.08408	2.8
301.03552	25.5
301.07193	4.2
301.10687	78.6
301.16409	26.3
301.21582	14.8
301.24966	5.4
302.11322	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	301.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37213	1.5
53.03950	1.7
55.01868	33.2
55.05508	36.1
55.64725	1.4
55.90171	1.8
57.03435	56.4
57.07057	1.6
61.02918	2.9
67.05177	2.5
67.05503	32.1
69.03415	7.1
69.07068	13.9
70.04174	1.8
71.04974	3.4
71.58681	2.6
73.02914	13.2
79.05063	2.6
79.05489	30.4
80.06290	2.0
81.03416	8.1
81.06581	2.7
81.07047	30.5
82.04187	7.5
83.04986	18.8
83.08616	14.0
84.05762	1.6
85.02898	2.7
91.05470	23.3
93.07044	20.8
93.80121	1.5
94.07848	2.5
95.04961	14.5
95.08589	8.8
97.02892	2.4
97.06528	8.9
97.10168	18.3
98.07298	9.6
101.06005	3.0
104.93427	1.5
105.07010	11.4
107.04950	3.4
107.08593	14.2
109.06502	3.2
109.10173	5.1
111.04426	2.0
111.08077	3.6
116.04704	41.4
117.07020	5.3
119.08585	10.9
121.06508	2.4
121.10152	7.6
123.08061	4.0
125.09615	21.9
129.05469	100.0
129.06990	3.7
131.08531	5.4
133.10118	9.2
135.08095	5.0
135.11707	5.3
137.09573	3.5
139.11176	1.8
143.07028	24.2
145.10089	3.5
147.08116	1.9
147.11673	7.0
149.09639	3.1
153.09087	1.9
157.08617	42.5
157.10095	6.3
163.11166	4.7
165.12761	2.2
171.10161	12.9
173.09689	2.6
175.11191	2.6
181.12202	2.2
185.11699	3.7
189.11214	23.3
199.13217	8.3
200.14043	9.5
208.87018	1.6
227.12779	11.8
301.03568	7.7
301.06631	2.2
301.16467	26.4
301.21588	2.8
301.25266	3.1
324.04657	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.3
55.01865	13.3
55.05511	53.5
57.03431	50.4
57.07082	5.2
67.05177	7.2
67.05505	95.3
69.03406	5.8
69.07069	39.0
69.37141	20.2
69.37576	22.6
71.01331	5.2
71.04984	10.7
73.02917	4.8
79.05492	75.9
81.03417	16.4
81.07063	65.3
81.92031	3.9
83.04989	29.0
83.08612	17.3
85.02879	15.3
87.04491	5.5
91.05479	40.5
93.06473	6.6
93.07042	84.3
95.04951	15.1
95.08633	36.3
97.02861	9.8
97.06514	18.9
97.10153	27.4
97.20065	4.4
104.83263	4.7
105.07063	22.6
107.04998	20.6
107.08585	39.5
109.06577	6.1
109.10146	37.4
111.04438	15.7
111.11716	15.6
116.04710	8.5
117.07016	12.4
119.08603	25.8
121.06493	8.9
121.10135	100.0
123.08047	4.8
125.05979	9.2
125.09644	14.6
129.05486	18.6
129.06999	10.0
131.08571	12.9
133.10156	6.8
135.11681	38.3
139.07620	5.6
139.11200	30.3
145.10124	38.9
147.11668	6.5
149.09604	17.2
152.69350	5.1
153.12711	9.6
157.10155	5.6
159.11678	4.9
163.11172	45.6
173.09616	10.0
181.12250	23.1
182.56520	4.1
182.64973	4.3
185.11713	12.7
189.11183	5.2
191.10703	11.4
199.13159	7.2
209.11778	11.2
227.12781	29.0
243.28453	4.1
245.13823	65.5
257.13760	10.7
264.47339	4.4
301.03458	23.6
301.06357	4.4
301.16702	56.3
301.19901	5.4
301.21469	7.4
301.24811	4.5
302.66867	4.2
312.25235	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	301.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	7.9
55.01874	10.2
55.05503	8.8
56.96546	2.7
57.03421	5.4
57.07056	2.2
61.02913	1.7
65.03921	3.5
67.05499	20.4
69.02775	2.0
69.03432	10.9
69.07084	9.2
69.25340	18.7
69.25747	3.2
71.04989	4.4
78.54235	1.9
79.05487	30.0
81.03416	15.7
81.07050	20.1
83.04959	5.8
83.08603	6.8
85.02898	31.4
85.06526	5.7
89.03910	2.0
91.05477	35.5
93.07040	100.0
95.04955	17.5
95.08596	22.3
97.02872	4.1
97.06506	8.2
98.17328	1.7
98.20762	2.7
98.97592	2.1
99.04439	5.4
100.98060	1.7
103.05470	2.4
105.03352	2.1
105.07018	13.8
107.04948	8.4
107.08589	13.5
107.55708	1.6
109.02850	5.1
109.06528	4.2
109.10146	9.7
111.04429	1.9
111.08086	17.6
115.05401	3.2
117.06999	6.2
118.96194	1.7
119.04898	7.1
119.08593	10.9
121.06511	10.5
121.10119	9.8
123.04419	6.3
123.08054	3.4
123.11681	5.6
125.09619	1.9
127.03878	3.3
128.06206	3.1
129.06981	5.0
131.08537	7.8
133.06508	2.6
133.10149	9.9
135.08026	3.2
135.11684	6.7
137.05945	6.2
139.07532	19.1
141.06956	4.5
143.08510	5.5
143.31686	1.7
145.02771	2.8
145.10097	7.8
147.08023	3.3
147.11607	5.1
149.05948	5.4
149.09592	3.2
149.13219	4.4
151.07567	2.1
152.06174	11.9
153.06979	19.5
154.07669	1.9
155.04932	2.4
155.08569	3.5
157.06450	2.9
157.08708	1.7
157.10103	5.9
159.08043	2.3
159.11731	4.3
161.09546	2.2
161.13217	2.5
163.07501	2.5
165.06978	17.2
165.09052	4.0
167.07202	2.3
167.08559	4.8
168.05672	4.9
169.06512	8.8
170.07246	4.9
171.07997	4.3
171.11665	6.3
173.13249	4.7
175.14769	2.1
176.06235	2.1
177.05444	6.8
180.05713	3.3
181.06482	26.1
182.07202	4.2
183.04488	3.5
183.07971	7.2
183.11681	2.1
185.13252	4.4
187.07516	7.7
194.07256	3.2
195.08008	8.9
197.05893	6.5
197.13158	3.3
198.06679	13.9
199.07399	4.3
208.05199	4.9
209.05922	4.8
210.06767	2.2
211.07512	6.5
212.09422	2.7
213.05376	1.9
213.08879	11.2
213.16307	2.5
215.07018	4.0
223.07497	5.0
225.05284	3.3
226.06203	16.3
227.06987	6.2
227.11795	7.0
227.18027	3.1
239.06850	2.1
239.17850	2.1
240.08919	3.8
241.08676	16.9
243.06509	4.2
245.04301	1.9
251.06941	5.3
254.05641	2.1
255.11307	31.5
255.21031	2.2
258.08926	4.6
269.07999	4.9
272.10379	3.1
273.03827	3.1
283.10693	11.4
283.20496	5.7
286.08347	2.7
301.03467	17.4
301.06992	4.1
301.10666	75.1
301.21570	18.4
301.25223	7.1
302.11118	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	301.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.7
55.01882	8.3
55.05491	4.4
57.03417	5.3
62.32330	1.7
66.01775	1.5
67.05496	13.5
69.03424	12.6
69.33708	16.7
70.69339	1.4
71.04987	2.9
71.35278	1.6
73.02898	2.9
79.05489	40.1
81.03413	23.9
81.07041	2.4
82.39475	1.5
83.04942	2.9
83.08607	5.1
85.02902	54.9
86.89897	1.4
90.46187	1.9
91.05479	29.6
91.31276	2.0
93.07039	100.0
95.04968	17.6
95.08579	10.5
97.02886	6.1
97.06484	3.4
99.04449	6.5
105.04507	2.5
105.07013	3.7
107.04942	3.4
107.08569	2.3
109.02868	4.5
109.06509	2.8
111.04436	2.8
111.08069	18.5
117.06997	2.3
119.04903	2.1
119.08567	4.1
121.06533	9.2
121.07265	2.2
123.04430	6.5
127.03967	7.8
130.45448	1.5
135.07997	1.9
137.05962	2.7
139.07533	38.4
145.04961	5.1
145.06471	2.4
145.10130	1.9
147.08005	2.0
153.07019	3.5
159.08000	2.0
162.18022	1.6
163.07526	2.3
165.06914	1.7
165.09100	1.9
171.53607	1.5
173.06030	1.8
173.09607	1.6
181.06473	3.3
185.19719	1.7
186.97855	1.6
198.06696	1.9
205.08591	3.7
208.05209	1.5
217.04941	2.8
217.08546	4.0
241.08485	2.3
258.08987	1.7
301.03360	4.1
301.10593	7.4
301.21591	2.5
302.04089	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	2.2
51.31385	2.1
53.03927	9.3
55.01869	10.4
55.05495	8.0
57.03415	6.1
61.02900	2.4
67.05493	19.5
69.03411	8.2
69.07053	7.1
70.27207	9.8
71.05002	3.3
79.05072	2.6
79.05488	37.5
81.03397	21.3
81.07034	8.7
83.04953	3.9
83.08605	8.6
85.02901	54.7
91.05472	41.5
93.07039	100.0
95.04979	17.8
95.08611	16.2
97.02876	6.3
97.06488	6.4
97.10158	2.3
97.58334	1.8
98.20826	2.8
99.04436	7.1
105.04498	2.5
105.07012	8.4
107.04932	4.2
107.08555	8.2
109.02841	4.7
109.06477	3.8
109.10108	4.3
111.04421	3.5
111.08090	16.9
117.07015	4.2
119.04920	6.4
119.08542	6.0
120.94579	2.1
121.06496	13.4
121.10109	6.1
123.04394	8.3
123.08007	2.4
127.03877	6.5
129.07014	5.7
131.08546	3.8
133.06490	2.3
133.10089	6.0
135.04391	2.4
135.08022	3.2
135.11688	2.2
137.05928	7.3
139.07530	33.5
141.06961	3.7
143.08484	3.1
145.04907	5.7
145.06488	3.8
145.10059	5.9
147.07973	3.2
147.11624	3.3
149.05905	3.1
151.07460	2.7
152.06160	7.4
153.06990	18.3
155.08522	4.2
157.06453	3.0
157.10097	4.1
159.11708	3.5
165.06932	12.3
165.09033	2.6
166.07799	2.7
167.08496	4.0
168.05765	5.2
169.06430	6.3
170.07198	6.9
171.08055	3.4
173.13228	2.2
177.05495	2.7
181.06480	20.3
182.07201	4.4
183.04405	6.3
183.07970	3.8
185.05994	4.3
185.09531	2.8
185.13223	2.5
187.07507	3.9
195.07991	5.6
197.05943	7.2
198.06822	12.5
199.07440	2.6
199.14861	3.7
209.05940	4.9
210.06708	2.2
211.07474	6.1
213.09117	14.6
215.06984	4.9
217.08720	3.3
223.07460	5.2
226.06291	12.9
227.07004	3.4
241.08612	14.2
243.06313	3.0
251.06877	3.2
255.20952	2.1
269.07919	5.2
272.10468	3.5
273.11304	3.1
283.20560	2.7
286.08417	2.8
301.03568	10.8
301.07312	3.1
301.10632	72.0
301.18277	4.8
301.21622	11.9
302.11166	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	301.128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52390	3.2
53.03935	9.0
55.01854	10.7
55.05489	10.7
57.03429	6.3
57.20235	3.9
59.91570	2.9
62.52947	3.2
64.97028	2.9
67.05503	19.2
69.03416	11.2
70.82530	10.7
79.05489	42.6
81.03410	25.4
81.07068	5.7
81.98767	3.3
83.04982	5.8
83.08611	7.0
85.02896	51.7
85.06532	8.2
85.30577	3.0
89.38973	4.1
91.05479	35.8
93.06483	5.3
93.07044	100.0
95.04958	15.8
95.08588	9.4
97.02882	36.5
97.06509	7.0
99.04448	12.3
105.07032	4.6
109.02871	10.3
109.06494	5.9
111.08069	22.9
121.06479	15.5
123.04415	5.4
123.44411	3.1
127.03905	17.3
137.05971	6.4
139.03781	3.6
139.05423	3.1
139.07532	43.5
147.08029	4.2
147.75999	3.1
156.01137	3.4
161.06108	3.8
239.76692	3.5
301.10748	9.3
302.00540	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	301.128
Annotation	Icariside D2
Peak:m/z	Relative Intensity
53.03943	9.4
55.01869	13.7
55.05498	6.4
57.03435	3.0
67.05506	11.6
69.03430	15.6
69.07067	3.1
71.55947	2.2
78.64548	1.7
79.05494	39.8
81.03417	25.1
81.07053	4.0
81.71201	1.9
83.04958	2.3
83.08641	9.0
85.02902	49.2
90.40727	1.7
91.05482	28.7
93.07043	100.0
94.07384	2.1
95.04978	19.8
95.08596	6.8
97.02895	7.4
97.06538	5.8
99.04450	8.0
102.78458	1.7
103.03944	2.9
103.05452	2.8
105.04517	2.0
105.07024	3.1
107.04977	2.7
109.02886	5.6
111.04464	4.5
111.08085	20.4
117.07055	2.9
121.06502	11.1
123.04434	5.7
127.03932	6.3
137.05972	5.0
139.07547	30.2
141.56714	2.2
145.04962	3.8
149.06020	2.4
167.07011	1.9
181.04919	2.7
189.09052	1.8
210.33344	2.1
217.08488	2.4
301.10989	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84996	1.3
53.03940	7.1
53.17456	1.3
55.01878	8.9
55.05503	3.4
57.03423	3.8
65.03915	2.0
67.05495	15.4
68.06580	1.3
69.03428	10.0
69.07062	4.2
69.37222	5.9
69.37651	9.3
71.01316	2.1
71.04963	2.8
73.02920	2.4
79.05489	21.2
81.03413	19.1
81.07037	7.8
83.04951	2.7
83.08619	4.0
85.02903	25.5
85.06538	3.1
91.05473	30.6
93.07040	100.0
95.04956	12.9
95.08583	9.0
97.02873	5.3
97.06521	3.4
99.04450	6.2
105.07041	7.2
107.04935	2.5
107.08601	3.2
109.02879	4.1
109.06547	1.6
109.10132	3.8
111.04460	3.9
111.08081	18.9
115.05530	1.8
117.07017	4.2
117.13281	1.3
119.04979	2.4
119.08531	3.8
121.06486	11.7
121.10155	1.9
123.04420	6.1
127.03916	5.8
128.06236	2.6
130.03108	1.5
131.08578	3.2
133.06497	2.9
133.10149	2.5
135.08009	2.1
135.11653	2.0
137.05994	4.4
139.07538	21.1
141.07011	2.3
141.74005	1.5
145.06474	1.9
145.10110	2.7
147.08047	4.1
149.06001	2.3
152.06163	3.1
153.06985	6.9
157.08595	1.9
159.11691	2.1
163.07579	2.2
165.06975	4.0
167.08615	2.1
169.06564	2.1
169.10188	1.6
170.07266	2.1
171.08125	2.0
175.07568	1.7
181.06427	8.8
182.33826	1.6
183.08061	4.0
183.11665	1.7
187.07607	2.4
189.08987	2.0
195.08102	2.5
197.05968	3.6
198.06656	3.6
205.08450	1.6
211.07602	2.3
213.09077	5.0
223.07602	2.6
226.06250	5.3
241.08672	5.3
243.06551	2.6
269.08069	1.7
301.03378	5.5
301.10596	23.3
301.13608	1.9
301.21646	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	301.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27321	2.6
53.03929	9.1
54.71750	2.4
55.01857	10.9
55.05495	10.4
57.03435	7.1
65.03954	2.6
67.05521	20.2
69.03416	14.2
69.07056	8.0
69.25387	30.9
71.04965	3.4
75.01006	2.6
79.05068	3.5
79.05495	49.2
81.03413	17.7
81.07039	25.6
82.99879	2.6
83.04968	5.8
83.08603	8.6
85.02906	56.7
91.05469	40.1
92.05029	3.9
93.07047	100.0
95.04973	15.8
95.08593	17.5
97.02885	8.8
97.06510	8.6
98.21526	5.1
99.04447	9.0
105.07005	15.5
107.04958	6.3
107.08579	10.8
109.02888	4.4
109.10174	7.8
111.04498	3.4
111.08089	18.1
117.07006	6.6
119.04897	3.6
119.08568	13.3
121.06496	16.1
121.10140	5.6
127.03912	6.5
131.08521	9.0
133.10127	9.0
135.08089	3.0
135.11647	3.9
137.05966	6.1
139.07544	35.2
143.08539	10.3
145.10107	9.7
145.11423	2.7
147.08014	5.2
147.11710	5.6
149.05905	4.9
149.09578	4.4
151.07501	5.5
152.06166	6.0
153.01834	3.5
153.06976	10.2
155.08572	3.1
157.10030	6.9
159.11687	12.2
161.09599	3.8
165.05695	3.1
165.06970	12.7
167.07260	2.8
167.08615	2.8
169.06436	5.2
170.07231	5.2
171.11691	6.0
173.13327	4.9
181.06503	13.3
182.09682	3.7
185.13304	8.0
195.08112	3.3
197.05856	4.9
198.06441	3.9
198.07979	5.9
199.12321	5.5
199.14781	6.7
203.09250	3.2
205.08621	3.1
210.09142	7.8
211.08638	8.2
212.09441	12.0
213.10394	5.9
213.16307	5.1
217.05054	3.0
222.16550	2.7
225.16377	4.2
226.07394	8.3
227.11783	21.3
227.14125	5.4
227.17920	9.3
239.08232	4.0
240.08913	12.0
241.09924	33.2
241.15814	3.8
247.09634	3.6
255.11314	66.7
283.10764	51.6
283.20557	11.0
286.08279	3.0
301.03445	8.8
301.10614	41.6
301.21664	34.2
302.10840	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	299.2004
Annotation	Abieta-8,11,13,15-tetraen-18-oic acid
Peak:m/z	Relative Intensity
50.74097	1.9
55.05503	7.6
67.05499	8.3
69.03424	3.0
69.07086	4.2
70.06552	2.0
70.87335	5.6
71.04995	3.0
71.08556	1.9
76.87092	2.1
79.05492	9.0
81.03416	2.4
81.07051	10.7
81.28662	2.3
83.04964	3.9
83.08631	4.5
91.05466	37.9
93.07039	10.4
95.04974	3.3
95.08613	13.4
97.06513	1.9
105.07022	28.6
107.08572	12.1
109.06485	4.2
109.10142	9.2
115.05481	4.1
116.06233	7.4
117.07042	4.2
119.04931	8.4
119.08598	21.7
121.10156	11.7
123.08071	2.9
123.11696	4.0
125.09602	2.7
128.06250	3.1
129.07013	9.0
131.08560	44.0
133.10153	9.2
135.08040	2.4
135.11665	2.2
137.05946	2.6
142.07791	3.0
143.08553	5.4
145.06393	2.3
145.10107	8.2
147.11656	3.1
149.09592	4.8
155.08530	4.9
156.09407	3.2
157.10118	8.0
159.08043	100.0
159.11687	5.6
161.09613	5.6
161.13222	3.3
169.10101	5.9
171.11671	8.6
175.07513	1.9
175.11224	5.2
181.09996	2.3
182.10857	3.2
183.11658	6.5
185.13106	3.0
187.11179	2.7
189.12660	4.1
192.09459	2.5
195.11600	2.3
197.13287	8.3
199.11137	4.3
201.12645	1.9
207.11726	3.6
213.12805	2.3
221.13281	4.2
223.14809	2.3
225.12715	6.5
239.14204	3.7
253.19466	3.5
257.18750	2.9
263.17944	5.0
281.18991	26.2
284.06732	3.4
285.10107	3.1
299.06036	2.5
299.09204	6.1
299.14688	2.2
299.20020	50.5
300.20218	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0917
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
53.03942	16.8
54.46165	2.6
55.01865	8.0
55.05308	3.2
55.05512	41.0
55.52502	3.0
57.03438	9.2
59.10517	3.0
64.23091	3.0
65.03939	29.6
67.05502	12.9
68.21498	3.5
69.03430	60.4
70.06549	4.9
73.02904	3.3
79.05507	6.2
81.03418	100.0
83.04980	90.2
85.02902	29.6
89.92249	2.8
91.05484	5.1
93.03403	53.8
93.07033	17.9
95.04981	7.8
97.02888	33.9
97.06522	17.9
99.04456	12.4
109.02869	44.6
111.04430	45.0
111.08119	6.6
121.02858	47.5
121.06542	5.4
127.03927	26.3
130.99548	3.6
139.03900	83.5
139.07550	10.7
155.08658	3.5
157.04973	35.4
165.95587	3.1
189.01814	6.4
213.05582	5.0
218.02126	3.8
229.19479	3.9
255.08669	36.5
273.00217	6.4
283.08188	16.0
300.99759	5.6
301.03323	4.7
301.09503	8.0
301.12454	33.9
302.00720	19.7
302.03555	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
53.68831	1.0
55.01859	2.4
59.25271	1.1
67.05492	1.5
69.03439	2.4
69.85983	1.2
71.57312	1.8
79.05476	1.5
81.03403	2.9
85.02896	3.7
91.05464	3.4
93.07047	6.2
97.02876	1.8
97.06516	5.0
99.04492	1.2
109.02895	1.9
111.08042	1.8
127.03929	2.4
137.05949	1.3
139.07483	3.3
139.08562	1.5
153.01849	2.1
240.17186	1.4
245.00887	1.5
246.01546	1.8
273.00241	1.6
300.99704	3.7
301.12558	100.0
302.00436	5.8
302.12839	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1123
Annotation	Picein
Peak:m/z	Relative Intensity
53.03931	8.3
54.42169	1.8
55.01880	9.6
57.03423	3.9
65.03938	23.1
66.34756	2.2
67.05495	8.3
69.03426	43.3
71.01337	2.7
71.05002	3.0
71.12265	1.9
71.12605	4.5
73.02900	2.0
79.05482	16.0
81.03416	55.1
81.07050	36.4
83.04986	2.3
85.02892	24.9
85.06537	5.2
89.17988	1.8
91.05476	100.0
93.03376	2.3
93.07042	7.7
95.01340	2.6
95.04953	17.8
96.04451	2.7
97.02879	15.8
97.06488	2.3
99.04473	12.1
101.02310	2.2
105.06985	3.1
107.04975	3.7
109.02870	35.8
109.06508	22.4
111.04429	6.7
114.89698	1.9
115.05462	2.4
119.04944	24.4
121.06490	3.7
127.03909	29.8
127.07567	3.9
133.06470	2.8
135.04416	4.2
137.02350	26.1
137.03342	2.6
137.05962	41.7
143.03395	2.2
143.08595	2.0
145.04973	11.3
145.06473	2.5
149.05930	2.5
153.01855	4.7
155.02232	3.3
155.07024	8.2
161.06024	3.0
171.08327	2.0
177.91866	2.2
211.07492	2.0
237.45454	2.2
281.10236	2.7
299.06085	5.6
299.11261	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	299.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	12.4
53.03939	10.7
55.01867	17.7
55.05506	67.7
57.03434	35.1
57.07055	9.9
59.05006	10.0
67.05502	71.0
69.03413	13.5
69.07063	22.1
69.64658	50.6
71.01356	19.3
71.04954	11.9
73.26228	7.3
79.05486	53.1
81.03429	23.4
81.07050	79.4
83.04997	16.8
83.08617	36.0
91.05481	72.3
93.07040	50.4
95.04966	24.4
95.08612	33.9
97.06522	9.7
97.10148	18.4
98.20689	7.2
99.00819	55.7
105.07029	64.8
107.04970	10.7
107.08604	29.8
109.02876	21.8
109.06572	11.5
109.10157	31.5
111.08082	12.6
117.07024	10.9
119.08589	34.1
121.06532	9.0
121.10159	10.7
123.08093	7.8
123.11728	12.6
127.03905	13.2
131.08533	10.8
133.10115	100.0
135.08060	10.8
137.09615	9.0
139.07542	8.0
143.08560	14.1
151.11125	33.6
157.10135	9.2
161.09636	46.2
161.13257	11.0
171.08070	7.8
179.10698	34.0
189.09116	25.9
197.11792	9.8
201.31099	7.6
207.10144	9.5
209.59070	7.5
225.11224	42.0
243.12297	9.1
248.24513	6.7
254.55287	7.5
271.15442	8.4
299.09265	7.9
299.14841	81.1
299.23602	16.2
299.27188	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	299.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90851	2.8
52.82227	2.9
53.03933	10.0
55.01855	8.8
57.03421	6.3
65.03941	18.0
67.05495	10.8
69.03429	39.1
70.88311	5.7
70.88717	5.2
71.04971	3.9
73.02895	3.6
75.54705	2.6
79.05479	16.5
79.23938	2.4
81.03410	52.6
81.07059	32.7
85.02907	25.4
85.06554	3.9
91.05477	100.0
93.07044	7.7
95.01321	3.5
95.04958	20.2
95.08607	3.3
96.04504	3.1
97.02892	15.1
98.47305	3.2
99.04462	6.3
105.07006	3.9
107.04945	5.7
109.02872	26.2
109.06535	21.8
111.04430	6.2
119.04935	17.2
121.06493	2.6
127.03929	24.2
127.07611	3.6
133.27043	2.8
135.04372	3.6
137.02347	9.8
137.05983	30.7
143.47128	2.6
145.04942	8.3
145.06499	3.7
153.01816	5.5
155.02312	4.4
155.07014	7.7
161.06030	3.6
163.07503	3.6
175.07616	3.5
177.05424	2.9
297.32397	2.7
299.06094	6.6
299.09079	4.0
299.15149	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	299.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44066	1.1
50.51339	1.1
53.03940	4.9
55.01870	7.7
55.05502	5.6
56.96560	2.5
57.03431	3.5
57.07056	2.4
61.30075	1.3
62.73737	1.3
65.03946	14.0
67.05513	11.0
69.03080	2.1
69.03429	27.8
69.07065	6.4
71.01359	2.0
71.04990	4.4
71.58099	1.6
73.02905	1.7
75.32471	1.4
79.05495	15.5
81.03413	32.2
81.03862	2.9
81.07050	27.5
82.53444	1.6
83.04999	3.0
83.08620	2.3
85.02909	17.4
85.06518	3.0
91.05479	72.1
93.03394	3.3
93.07040	14.7
95.04961	13.8
95.08595	11.0
95.76537	1.4
97.02916	6.8
97.06554	2.6
99.04443	6.5
103.03910	1.6
103.05511	2.3
105.06430	1.9
105.07024	10.2
107.04946	6.0
107.08589	6.1
109.02869	19.4
109.06509	11.5
109.10166	8.7
111.04457	5.4
113.06005	1.4
115.05473	3.1
117.07028	3.0
119.04939	12.5
119.08591	8.5
121.06493	3.7
121.10149	4.0
123.04346	1.6
123.08055	3.2
125.02401	2.0
127.03909	18.0
127.07518	2.2
128.06210	2.9
129.06996	4.3
131.08560	6.6
131.50098	1.5
133.06531	3.6
133.10135	5.3
135.04379	1.9
135.08057	3.1
135.11664	2.2
137.02341	100.0
137.03391	5.7
137.05974	23.0
137.09659	2.0
142.07768	2.3
143.08562	4.4
144.20430	1.3
145.04958	3.2
145.06503	3.0
145.10126	7.9
147.04416	2.7
147.08040	2.4
147.11687	3.0
149.05952	2.3
149.09688	2.1
151.07558	3.3
153.01805	15.6
153.02849	1.8
153.06969	2.0
155.02252	1.5
155.06007	2.6
155.07133	2.3
155.08548	3.1
157.10155	4.1
159.08096	2.2
159.11674	3.9
161.05965	2.9
161.09581	2.7
161.13327	3.0
164.05638	1.2
165.07037	2.3
165.83199	1.7
168.05704	1.5
169.10156	4.3
173.09666	3.3
175.07545	6.9
178.07930	1.6
179.08553	2.0
183.08073	2.4
183.11716	5.1
185.13295	2.2
189.09117	2.7
195.11763	1.9
197.13306	2.1
199.14961	1.5
207.09181	1.9
210.06850	1.9
211.07597	2.1
211.14729	2.1
213.05777	1.4
213.12708	1.7
223.14888	1.3
225.16341	3.3
239.07307	2.2
239.10550	3.1
253.15863	2.0
253.19510	2.2
263.18127	1.6
267.06476	2.8
267.10019	1.7
281.09311	4.6
281.19083	3.5
299.05634	5.3
299.09241	6.4
299.12988	9.6
299.16486	3.1
299.20038	15.1
299.23218	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	298.0968
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
53.03956	0.3
55.01887	0.2
60.19062	0.2
61.01151	4.9
61.36856	0.2
65.53065	0.2
69.03420	1.2
69.77570	1.6
70.03767	0.3
75.02705	2.6
79.01867	0.3
80.02187	0.3
81.03423	2.2
82.03754	0.9
85.02911	0.4
94.04053	0.6
97.02905	2.0
98.20849	0.4
99.04447	0.3
103.02145	0.4
109.02879	0.9
109.06502	0.3
110.03216	0.5
119.03558	0.9
127.03907	0.3
136.06184	100.0
137.04578	0.9
137.06526	0.9
143.03427	0.2
144.03752	0.3
145.03157	1.1
153.01846	2.5
154.02138	2.5
155.69229	0.2
163.04269	0.6
298.06406	1.0
298.09714	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.8
53.03943	0.9
53.21583	0.6
55.01862	1.2
55.05505	1.7
57.03431	1.3
65.03934	2.0
67.05499	3.2
69.03436	3.6
69.07063	1.8
70.38710	0.7
71.04990	1.2
71.31348	1.2
76.47443	0.7
76.69379	0.7
79.01857	5.0
79.05488	4.9
81.03436	3.2
81.07039	4.8
83.04976	1.7
83.08611	0.9
85.02910	3.2
91.05481	8.4
93.07037	6.4
95.04958	2.8
95.08599	2.2
97.02895	2.6
97.06507	0.9
99.04397	0.9
105.07021	3.4
107.01287	1.6
107.08585	1.9
109.02859	2.3
109.06509	2.5
109.10133	0.9
111.04443	5.4
111.08070	1.4
115.03929	1.1
117.07010	0.8
119.04968	2.5
119.08578	2.6
121.06512	1.9
121.10146	1.4
123.11739	0.9
125.02320	5.5
127.03882	1.0
129.05443	0.9
129.07010	1.5
131.08574	1.3
133.10141	1.5
134.83618	0.6
137.02336	6.8
137.05986	3.2
137.09665	0.8
139.07552	2.9
142.07756	0.7
143.03395	9.1
143.08545	1.3
145.10130	1.6
147.08063	0.7
147.11749	1.2
153.01830	100.0
153.02855	4.1
154.02190	2.0
155.08549	0.9
157.10100	1.7
159.11699	1.4
167.08691	1.0
169.10112	1.1
171.11752	0.9
173.09653	1.2
173.13332	0.9
175.07527	2.2
177.13019	0.7
181.01347	1.3
183.11678	1.0
185.13400	1.0
207.02888	2.7
211.07542	1.2
211.14783	0.9
215.14294	0.8
219.06567	1.9
223.02492	0.9
225.16406	0.8
239.14285	0.7
245.04294	0.9
263.05624	0.8
281.06537	3.0
281.11719	1.0
281.18945	1.6
299.02185	1.2
299.05746	1.3
299.09360	1.6
299.12769	3.1
299.20059	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	297.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28784	1.1
53.03931	2.9
55.01862	1.8
55.05267	1.9
55.05510	23.8
57.03444	2.3
57.07071	9.6
59.04989	7.4
63.63781	1.5
67.05495	15.2
69.03425	9.5
69.07067	100.0
71.04987	2.0
71.08632	3.6
71.28319	3.1
73.06552	2.2
79.05471	8.7
81.03416	11.9
81.07051	48.9
81.07526	2.7
83.04961	4.0
83.08620	23.2
85.06520	3.1
85.10140	1.6
91.05463	5.8
93.07034	17.9
93.57486	1.3
95.04968	2.9
95.08606	40.8
97.02878	2.8
97.06531	9.1
97.10180	7.7
98.86752	1.4
99.08093	2.7
105.07057	6.8
107.08588	16.9
107.38710	1.4
109.02871	4.5
109.06520	1.8
109.10145	23.8
111.08073	5.4
111.11720	22.4
117.06979	2.5
119.08551	5.3
121.06540	2.0
121.10149	8.4
123.08044	1.9
123.11695	9.1
125.09579	1.9
125.13287	1.6
129.07019	2.5
131.08530	1.9
133.05136	1.3
133.10107	2.7
135.11687	11.9
137.13243	10.3
139.11166	4.8
141.06895	1.8
142.07799	1.5
143.08594	3.5
145.10106	4.4
147.11679	1.8
149.13208	6.4
151.14832	1.5
153.01822	24.9
153.06953	1.7
153.12756	8.4
155.08505	4.2
157.10127	4.9
159.08038	2.6
161.13289	1.4
165.06949	3.1
165.16394	1.4
166.07771	2.0
167.08568	4.2
167.14314	3.2
169.10014	1.8
171.11720	2.3
173.09637	1.6
179.08623	2.0
181.10074	4.5
183.11699	2.6
185.09624	5.7
191.17992	1.6
193.10092	2.0
194.07327	3.2
195.11652	4.0
197.13286	2.5
199.11156	1.8
205.06421	2.5
205.19670	1.7
206.10786	1.4
209.13171	3.1
211.11200	3.0
211.14929	1.7
213.12709	2.5
221.13257	1.8
222.06731	4.9
222.10335	1.4
223.11244	1.7
223.14777	1.9
227.14384	2.8
235.10884	2.4
237.09058	4.9
237.12701	2.2
239.14380	2.4
241.12149	1.6
241.16029	1.6
251.10205	2.0
251.17967	1.5
253.15701	1.4
255.13742	1.7
261.25653	2.0
265.08615	11.0
266.12579	2.7
279.17380	5.6
279.26819	5.2
297.05743	3.4
297.11157	9.3
297.18634	17.0
297.22040	2.2
297.27921	13.3
298.06320	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2787
Annotation	17-Methyl-6Z-octadecenoic acid
Peak:m/z	Relative Intensity
53.03935	1.6
55.01844	1.3
55.05269	1.3
55.05510	18.7
57.03417	1.0
57.07072	7.5
59.05003	5.5
67.05509	9.7
69.03415	1.8
69.07065	100.0
71.04983	0.7
71.08618	2.8
71.58221	1.2
79.05504	5.2
81.03411	0.9
81.06587	1.5
81.07054	28.5
83.04961	1.2
83.08147	1.5
83.08616	18.9
83.09113	1.2
85.02876	0.8
85.06533	3.2
85.10203	1.1
91.05462	2.3
93.07043	11.5
95.04990	1.1
95.08602	25.1
97.06518	5.6
97.10171	6.0
98.97562	0.9
99.08096	2.6
105.06984	2.3
107.08589	10.0
109.06491	1.7
109.10150	14.1
111.08086	2.9
111.11720	13.5
113.02456	0.8
118.65876	0.8
119.08552	2.0
121.10132	9.9
122.30347	0.8
123.11712	8.2
125.09631	1.1
133.10136	1.1
134.99606	0.9
135.11685	4.4
137.13249	3.5
138.77876	0.8
139.11148	6.4
143.03423	1.0
145.10172	1.1
147.08145	0.8
149.13246	8.7
151.14796	2.2
153.01813	5.6
153.12744	0.7
157.10080	0.8
163.14816	3.0
165.16409	1.8
167.14285	3.5
177.16426	2.3
179.08435	1.1
185.09492	0.9
195.08073	2.1
199.29562	0.9
205.19498	1.6
209.18965	1.7
223.07579	0.9
223.20505	1.0
236.07945	1.6
251.07089	1.4
251.10197	2.0
261.25781	2.2
265.08685	0.8
266.12448	4.0
269.08051	0.8
274.97375	1.2
279.26865	4.3
297.07501	4.1
297.10895	1.3
297.18478	1.4
297.27884	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1847
Annotation	Crocetin dialdehyde
Peak:m/z	Relative Intensity
53.03933	3.4
55.05516	13.1
57.02560	1.9
57.07055	5.5
59.04989	3.7
61.95358	1.7
62.03369	1.7
62.36064	1.6
67.05502	13.8
69.03421	12.2
69.06721	2.9
69.07066	38.2
71.04969	2.3
74.91225	1.7
79.05475	13.4
81.03408	7.4
81.07059	28.4
83.04981	5.3
83.08614	12.1
85.06544	2.2
91.05466	19.3
93.07034	14.6
95.04961	4.8
95.08046	2.6
95.08604	24.6
97.06512	3.5
97.10166	5.2
98.21672	2.3
103.05476	2.4
105.07015	18.9
107.08595	15.5
109.02882	3.7
109.06528	4.5
109.10164	14.1
111.11690	5.9
113.42359	1.8
115.05441	2.8
116.06430	1.6
116.79260	1.8
117.07008	6.2
119.08581	12.9
121.10131	15.7
123.08073	4.0
123.11708	8.3
125.09628	2.9
128.06206	4.6
129.06990	16.5
131.08549	10.9
133.10132	11.6
135.08046	6.9
135.11676	5.5
137.09654	2.9
141.06975	4.5
142.07761	8.5
143.08545	19.1
145.06485	4.5
145.10110	8.6
147.07983	3.3
147.11682	4.6
149.13226	3.8
153.01831	17.5
153.06914	3.1
154.07779	5.5
155.08537	19.3
156.09377	4.6
157.06461	2.7
157.10124	16.6
159.08054	5.0
159.11665	3.0
161.09624	7.3
163.07535	5.6
163.11229	2.0
165.06950	10.9
166.07748	2.8
167.08577	18.2
168.09309	3.7
169.10112	15.9
170.10826	3.4
171.08031	4.5
171.11703	13.5
173.09612	5.9
173.13313	3.7
178.07759	3.2
179.08501	11.0
180.09256	6.8
181.10132	14.7
182.10846	3.2
182.22520	2.2
183.08067	2.9
183.11736	16.3
183.37279	1.8
185.09592	40.4
185.13293	5.4
187.11153	2.8
192.09364	5.1
193.10104	7.7
194.07373	2.0
194.10901	7.9
195.08066	2.2
195.11670	12.7
196.12492	2.8
197.09602	5.4
197.13237	6.7
198.10362	2.8
199.11203	8.6
199.14798	6.5
201.12686	3.9
205.06610	2.4
206.10919	3.8
207.11667	6.8
208.12460	5.1
209.09668	3.1
209.13257	12.9
211.11197	19.8
211.14803	5.2
213.09052	1.9
213.12778	13.2
217.12228	2.2
221.13257	4.4
223.11183	7.6
223.14784	14.7
225.12788	5.1
227.10744	2.8
227.14275	24.4
228.14883	2.2
229.15593	2.1
231.11751	2.0
236.07983	2.1
237.09027	5.2
237.12743	8.1
237.16286	1.8
239.14296	12.1
241.12268	6.1
241.15862	4.6
249.12733	2.7
249.16040	2.0
251.10266	2.6
251.14226	2.2
251.17918	5.6
253.15889	7.3
254.12810	2.2
255.13844	7.6
255.17435	8.5
261.16391	3.1
263.01776	2.2
265.08615	6.4
266.12604	3.3
267.17422	5.4
269.19003	13.0
279.17465	25.9
282.16122	2.9
297.11279	6.9
297.18491	100.0
297.27817	5.0
298.18948	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.7
55.01865	3.7
55.05502	5.2
57.03444	5.6
61.02915	3.4
67.05502	9.7
69.03075	2.1
69.03424	22.2
69.07063	4.5
71.01347	1.1
71.04995	6.4
71.24036	2.6
73.02915	3.3
79.01833	5.1
79.05492	10.0
81.03412	69.0
81.07050	13.1
82.03741	2.0
83.04976	2.6
83.08618	1.6
85.02903	14.9
87.04427	1.3
90.03458	1.5
91.05452	11.1
93.07037	18.2
95.04953	6.8
95.08600	9.2
97.02889	11.3
97.06511	2.6
99.00004	1.9
99.04453	6.9
103.03950	2.0
105.07021	15.8
107.01303	1.6
107.04946	5.0
107.08591	18.5
109.02145	1.5
109.02868	19.8
109.06509	4.1
109.10133	7.3
111.04428	3.4
111.08047	1.1
111.96658	1.3
115.03931	2.4
115.05457	1.4
117.07024	4.3
119.04952	4.1
119.08578	8.2
121.02872	2.0
121.06499	4.0
121.10134	10.8
123.04427	3.8
123.08047	3.6
123.11684	2.9
125.02399	5.5
125.05983	2.5
125.09626	2.2
126.01066	36.7
127.03916	9.1
128.06171	1.7
129.07021	2.1
130.99838	1.1
131.04840	1.1
131.08521	5.5
133.06528	2.4
133.10124	9.5
135.04370	5.6
135.08067	4.1
135.11711	11.6
137.09599	1.8
142.07759	1.8
143.03391	8.9
143.08565	4.6
145.04929	2.1
145.06468	2.9
145.10129	6.1
147.04353	8.5
147.08049	3.5
147.09172	1.3
147.11707	5.4
149.02278	1.8
149.05988	1.2
149.09618	3.2
149.13255	1.6
151.11211	2.3
153.01823	100.0
153.02798	3.7
153.12767	3.0
154.02135	3.1
154.03723	1.0
155.03796	1.3
155.08548	1.7
157.10117	2.8
158.61395	1.0
159.08063	1.5
159.11705	4.4
161.06010	2.2
161.09602	1.9
161.13274	2.6
163.11150	3.5
165.01686	1.2
165.06992	2.8
165.09169	1.2
165.12749	3.0
166.07814	2.2
167.08588	2.1
169.10097	1.8
171.02878	3.1
171.06570	1.3
171.11685	2.5
173.09630	3.1
173.13335	1.3
175.08728	2.1
175.11194	3.3
177.01799	12.3
177.05417	1.6
177.12711	2.3
178.07767	1.7
183.02916	2.6
183.11769	2.2
185.09596	1.2
187.11244	1.6
187.29958	1.2
189.12744	2.7
191.03381	2.0
193.06606	1.4
194.07256	5.2
195.02922	1.6
197.13283	1.2
201.12784	2.5
205.04869	1.4
205.06520	3.0
207.02948	2.3
213.12703	1.7
215.14252	1.7
219.02899	4.4
219.13763	1.7
222.06746	3.2
231.13805	1.8
233.04340	1.4
233.15331	1.4
236.08005	1.8
237.03828	1.2
237.09099	4.9
239.06917	1.1
243.13739	1.8
250.06215	1.6
251.10400	1.8
258.18890	1.0
261.14850	4.8
265.08557	9.8
266.09460	2.0
266.12399	2.6
266.88394	1.1
278.54550	1.1
279.15900	5.1
297.05875	17.9
297.10901	11.1
297.16763	10.2
298.05539	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.3
51.02360	0.9
52.02848	0.2
53.00291	0.3
53.03949	1.2
55.01859	0.6
55.05497	0.3
57.03413	0.2
61.02904	0.2
67.05505	0.4
69.03078	0.2
69.03427	3.1
69.07063	0.3
70.89740	0.5
71.04981	0.4
79.01850	6.3
79.05482	0.5
81.03410	10.3
81.07036	0.7
83.01331	0.3
83.04932	0.3
85.02894	0.3
87.04435	0.2
91.05476	0.7
93.07036	0.5
95.01288	0.2
95.04977	0.5
95.08620	0.5
97.02886	8.3
99.04443	1.5
103.05476	0.5
105.07037	0.6
107.01320	1.4
107.04954	0.4
107.08578	0.3
109.02874	4.3
111.04395	0.2
111.08073	0.2
111.81123	0.2
115.05444	0.3
116.98560	0.2
119.04925	0.6
119.08572	0.4
121.06480	0.4
121.10134	0.2
123.00785	0.3
123.04420	0.3
123.11664	0.2
125.02338	4.8
127.03895	2.2
129.07001	0.2
131.04926	2.0
132.84644	0.2
133.02841	0.5
133.10193	0.3
135.04391	0.5
137.02312	0.3
137.06004	0.2
139.03903	0.5
143.03383	10.5
145.10124	0.2
147.04416	1.0
149.05934	0.2
151.03922	0.5
153.01819	100.0
153.02803	3.8
154.02151	1.3
159.04407	2.5
159.11650	0.2
161.05991	0.5
163.03876	1.5
165.01859	0.4
165.05487	0.3
165.07005	0.3
171.02882	0.7
171.04250	0.3
171.11737	0.2
173.09665	0.2
174.64076	0.2
175.03899	0.9
177.01886	0.3
177.05475	1.2
179.03366	1.7
179.06972	0.2
181.01324	1.3
181.05009	0.2
181.10269	0.2
183.02882	0.8
187.03862	1.3
191.03383	1.9
193.04918	0.6
194.07227	0.6
195.02867	1.6
197.00829	0.6
203.03398	0.3
205.04933	4.9
205.06401	0.3
207.02864	3.9
209.04466	0.7
209.09563	0.2
211.02371	0.9
215.03372	1.2
217.04878	0.3
219.02785	0.3
221.04410	2.4
222.06747	0.3
223.02364	3.6
233.04390	3.7
233.06688	0.2
235.02368	0.5
237.03912	0.9
237.09303	0.4
243.02812	0.3
244.03015	0.2
249.03847	1.2
251.05475	0.2
259.42026	0.2
259.77322	0.2
261.03922	1.3
265.08609	1.0
266.12662	0.2
267.05032	0.6
279.05032	0.5
279.10284	0.2
279.37500	0.2
282.08948	0.2
297.06042	9.0
297.11066	1.7
297.18372	0.5
315.44263	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.2
51.02369	0.5
53.03939	1.2
55.01860	0.8
55.05490	0.3
55.26543	0.2
57.03430	0.2
57.63274	0.2
61.02906	0.4
65.03925	0.3
67.05489	0.6
69.03426	12.9
69.07032	0.2
70.64256	0.8
71.04979	0.5
75.01058	0.3
79.01847	5.7
79.05495	0.5
81.03413	8.9
81.07061	0.6
83.01355	0.4
83.04987	0.4
85.02897	1.1
91.05457	1.1
93.07010	0.7
95.04968	0.3
95.08591	0.8
97.02885	6.9
98.21452	0.3
99.04435	1.3
103.05463	0.9
105.03423	0.3
105.07036	0.8
107.01318	1.2
107.04932	0.6
107.08598	0.7
108.02116	0.3
109.02876	3.9
111.04400	0.3
115.05407	0.3
119.04933	0.8
119.08567	0.3
121.10158	0.4
123.00704	0.3
123.11718	0.2
125.02338	4.6
126.01090	0.7
127.03912	6.2
131.04922	2.8
133.02867	0.5
133.10133	0.3
134.40390	0.3
135.04347	0.4
135.11652	0.3
137.02332	0.6
139.03886	0.6
143.03384	8.6
145.06444	0.3
145.10121	0.3
147.04402	1.1
149.05966	0.2
151.03914	0.8
153.01819	100.0
153.02812	3.9
154.02132	1.4
159.04407	3.4
159.07996	0.2
159.11679	0.3
161.06010	0.5
163.03914	1.7
165.01819	1.1
165.05473	0.5
171.02866	0.9
175.03902	1.5
177.01859	0.3
177.05420	1.9
179.03375	2.7
179.06921	0.6
181.01306	2.4
183.02908	1.6
187.03845	1.5
191.03397	2.8
193.01292	0.2
193.04893	1.0
195.02890	1.4
197.00864	0.6
203.03415	0.6
205.04944	6.0
207.02873	4.4
209.04518	1.1
211.02412	0.8
215.03415	1.2
219.02844	0.6
221.04388	1.6
223.02368	3.2
223.05937	0.3
233.04416	5.4
235.02365	0.4
237.03917	1.5
237.09117	0.3
243.02852	0.3
248.44618	0.2
249.03885	1.0
251.05388	0.6
261.03943	1.6
261.14948	0.2
265.08578	0.4
266.12540	0.4
267.05008	1.1
279.05029	0.6
297.06046	9.0
297.11368	0.6
297.16766	0.4
299.06137	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.0
53.03937	1.2
55.01864	0.9
56.11312	0.5
60.32051	0.4
61.02934	0.7
61.33773	0.4
63.69495	0.5
69.03429	26.2
71.04984	0.5
79.01860	4.1
79.05486	1.0
81.03419	7.3
81.07056	0.6
82.37304	0.5
85.02901	0.7
89.03971	0.5
91.05428	1.1
93.07043	1.2
95.08597	0.8
96.62167	0.5
97.02892	4.5
99.04466	1.1
103.05461	1.2
105.07017	0.6
107.01296	0.9
107.08578	0.8
109.02875	3.0
111.20011	0.5
116.72314	0.4
119.04906	0.9
119.05686	0.5
119.08533	0.5
125.02356	3.9
126.24094	0.6
127.03920	12.1
131.04904	3.3
143.03400	7.4
145.10014	0.6
147.04396	1.9
151.03928	1.2
153.01828	100.0
154.02168	1.2
159.04393	4.6
161.05962	0.6
163.03914	2.9
165.01947	0.8
165.05450	0.8
167.03539	0.5
175.03931	1.7
177.05519	1.7
179.03400	4.6
181.01300	3.4
183.02892	2.4
187.03915	1.8
191.03358	3.5
193.04964	2.0
195.02913	1.5
205.04950	7.3
207.02910	4.3
209.04454	1.3
211.02391	0.8
215.03401	1.3
217.04964	1.0
219.02895	1.0
221.04420	1.4
223.02438	2.2
223.06026	0.7
233.04433	7.3
237.03993	2.3
237.09088	0.5
249.04079	0.9
251.05560	0.9
261.03870	1.7
267.05090	1.9
279.05014	1.3
297.05997	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	297.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.9
51.39886	0.5
52.47261	0.5
53.03943	11.5
55.01852	1.0
57.03419	0.8
65.19387	0.4
65.87833	0.5
69.03428	14.7
69.45660	1.2
69.46084	3.1
71.04985	2.1
79.01844	5.3
79.05505	0.7
81.03415	82.3
81.07045	1.1
83.04960	0.6
85.02904	1.5
93.07041	0.7
97.02895	5.3
98.97556	0.5
99.04446	3.9
107.01318	1.9
107.04982	0.5
107.08573	0.8
109.02879	28.1
125.02367	5.0
126.01075	1.8
127.03915	6.9
136.07605	0.9
143.03391	9.9
143.08449	0.5
153.01823	100.0
153.02782	4.5
154.02176	1.1
170.02190	0.7
171.02881	4.4
175.08688	0.6
181.01289	0.7
191.03348	0.6
194.07399	0.5
205.04947	0.8
207.02858	0.6
237.08911	1.0
265.08609	1.1
266.12500	0.7
297.06036	32.2
297.11353	2.0
298.06583	0.6
303.12469	0.5
311.72476	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72521	0.3
51.02384	1.0
52.97332	0.4
53.03949	5.5
55.01873	0.5
55.05513	0.6
56.96577	0.4
57.03431	0.8
67.05515	1.0
69.03429	10.9
69.07070	0.6
69.24236	2.6
69.24665	1.8
70.77284	0.3
71.04975	2.5
79.01848	6.7
79.05500	0.8
81.03416	50.1
81.07061	1.9
83.04974	0.5
85.02903	1.3
85.06543	0.5
91.05460	0.6
93.07050	0.6
93.65151	0.4
95.08593	0.8
97.02886	5.2
98.21528	0.7
99.04449	3.0
105.07022	0.6
107.01325	2.1
107.04941	0.5
107.08594	0.9
109.02880	17.1
109.10168	0.6
111.08169	0.4
111.13577	0.3
112.13742	0.4
112.34464	0.4
118.89762	0.4
119.08532	0.6
123.11716	0.5
125.02338	5.8
127.03910	6.0
131.04930	0.6
131.08575	0.5
133.10182	0.5
135.04457	0.6
135.11774	0.5
139.03787	0.4
141.06981	0.5
143.03401	9.8
145.10083	0.6
147.04425	0.5
153.01825	100.0
153.02837	4.2
154.02174	1.0
157.10089	0.5
159.04417	0.6
161.09770	0.5
162.45084	0.4
171.02911	3.0
171.11699	0.5
179.03372	0.8
181.01315	0.8
183.02946	0.5
183.08160	0.4
191.03351	0.5
205.04942	0.8
207.02882	0.5
209.13106	0.7
233.04442	1.2
237.09241	0.5
265.08585	1.3
297.06030	22.8
297.10956	1.8
297.18491	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.03944	0.4
55.01860	0.8
61.02921	0.4
68.99793	0.2
69.03426	25.6
70.03758	0.3
70.71091	0.4
70.71484	0.5
71.04964	0.3
79.01847	4.6
79.05476	0.5
81.03405	1.7
83.01299	0.2
83.97683	0.2
86.79697	0.2
90.03223	0.2
91.05474	1.0
93.07021	0.3
95.04951	0.3
95.08604	0.2
97.02891	4.2
99.04442	0.9
103.05473	0.7
105.07038	0.4
107.01308	0.9
107.04966	0.4
109.02876	1.6
115.05410	0.3
117.03384	0.2
117.76888	0.2
119.04935	0.9
121.06533	0.5
123.00757	0.3
123.04375	0.4
125.02346	4.0
127.03910	10.4
131.04915	3.3
133.02859	1.0
133.06464	0.3
135.04401	0.6
137.01323	0.2
137.02312	1.1
139.03893	0.9
143.03397	8.4
147.04414	2.2
149.06013	0.3
151.03891	1.0
153.01820	100.0
153.02798	3.7
154.02139	1.1
159.04405	4.7
161.02301	0.2
161.05962	0.6
163.03888	2.5
165.01855	1.6
165.05475	1.0
167.03337	0.3
171.02951	0.4
171.04366	0.5
173.56277	0.3
174.90904	0.2
175.03917	1.9
177.01823	0.6
177.05455	2.5
179.03394	4.9
179.06998	0.9
181.01314	3.8
181.04878	0.2
183.02888	2.4
187.03886	2.1
189.05432	0.4
191.03355	4.0
193.01320	0.4
193.04922	1.5
195.02882	1.5
197.00824	0.4
197.04488	0.4
199.04123	0.2
203.03407	0.3
205.01312	0.4
205.04953	7.8
207.02872	5.0
209.00844	0.5
209.04480	1.4
211.02383	0.7
215.03430	1.6
217.04948	0.5
219.02878	0.9
221.04402	1.5
223.02408	1.9
223.06007	0.6
231.02896	0.3
233.04448	5.9
235.02466	0.7
237.03929	2.5
243.02855	0.5
246.97957	0.2
249.03938	1.3
251.05473	1.4
261.03937	2.1
265.08661	0.3
267.05066	1.7
279.04742	1.2
288.58350	0.2
297.06009	6.2
297.11243	0.4
297.18561	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.263
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
53.03941	2.8
55.05512	20.0
57.03420	1.8
57.07078	8.9
59.04999	11.2
67.05171	2.3
67.05505	29.4
69.03419	3.5
69.07069	76.2
70.12851	6.7
71.05003	2.3
71.08623	1.6
79.05492	12.9
79.60608	1.2
81.07055	100.0
82.07410	1.5
83.04992	1.8
83.08613	14.9
84.66464	1.5
85.06549	13.0
91.05476	4.2
93.07037	18.3
95.04971	2.1
95.08607	67.9
97.06532	5.8
97.10168	4.4
99.08075	2.7
105.07032	12.5
107.08593	16.2
109.02859	1.4
109.06538	4.0
109.10152	33.6
111.08067	3.1
111.11717	12.5
119.08561	9.5
121.10137	14.1
123.11700	38.3
125.09615	1.6
127.07574	5.1
133.10123	2.7
135.11688	7.8
137.13248	21.7
139.11177	8.5
147.11694	10.9
149.13278	7.1
163.14830	3.7
165.06784	1.2
165.12720	1.8
167.14270	1.5
175.14841	1.9
189.16414	1.5
235.07541	2.1
265.12195	3.8
277.25284	5.6
280.07159	1.1
291.46201	1.3
295.17001	3.1
295.26294	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	295.2631
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
55.05510	13.6
57.03416	0.8
57.07070	4.1
59.05001	1.8
67.05500	9.1
69.03423	1.1
69.07066	100.0
71.05007	0.9
71.08626	0.8
78.10004	0.7
79.05497	2.8
81.03398	0.8
81.07053	18.4
82.05609	0.6
83.04958	1.1
83.08625	6.8
85.06540	1.9
91.05487	1.5
93.07027	5.7
95.04967	1.6
95.08611	11.3
95.14816	0.6
97.06553	2.9
97.10191	2.7
99.08099	2.2
105.07048	2.2
107.08581	4.6
109.01446	0.7
109.06544	1.8
109.10153	15.4
111.08083	1.9
111.11717	26.3
119.08591	2.0
121.10147	6.1
122.95924	0.6
123.08060	1.5
123.11717	5.6
127.11197	1.4
129.12781	2.6
135.11734	2.4
137.09665	0.7
137.13280	1.5
139.11169	19.5
139.12193	1.0
147.11685	1.8
149.13310	2.4
151.11150	0.8
157.12271	2.4
163.14790	1.6
165.12869	0.8
178.07858	0.6
189.16356	1.0
193.06548	0.6
193.15889	1.0
203.17934	0.7
229.39534	0.9
234.46048	0.6
259.24411	1.2
277.25311	3.5
295.06085	0.7
295.26321	17.4
295.29593	1.0
296.89096	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.5
55.05508	12.5
57.03419	0.8
57.07084	2.1
59.04995	1.1
64.42365	0.4
67.05492	2.8
67.38811	0.4
69.03417	1.9
69.07066	100.0
69.34570	1.3
69.34993	3.1
70.07398	1.1
71.04994	0.9
71.08630	0.4
75.15221	0.4
79.05495	1.4
81.03421	0.7
81.07050	7.6
83.04990	0.8
83.08623	3.4
85.02879	0.4
85.06544	0.8
85.10165	0.7
89.03947	0.6
91.05477	0.8
93.07037	3.4
95.05000	0.6
95.08599	6.3
97.02885	2.1
97.06536	3.5
97.10154	2.2
98.20796	0.8
99.08102	1.1
101.06088	0.5
105.07022	1.0
107.04979	0.6
107.08605	1.7
109.02882	1.0
109.06528	0.8
109.10165	3.0
111.11714	29.0
115.03919	0.8
117.03367	0.5
119.08589	0.8
121.10143	5.0
123.11724	1.5
125.09612	0.6
129.12755	2.3
133.06514	0.7
135.04454	1.8
135.11726	1.3
137.06020	0.5
137.13274	0.9
139.11172	20.3
143.79102	0.4
145.02863	1.3
145.72873	0.4
147.11661	0.6
149.13298	0.5
153.12790	0.7
157.12228	2.2
163.03909	8.2
177.05568	0.4
192.17038	0.4
217.05054	1.5
235.07784	0.4
250.09985	0.5
265.12302	0.5
277.25369	1.1
295.16992	1.0
295.23053	1.0
295.26270	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03950	9.9
55.01862	8.8
55.05505	46.2
57.07078	45.1
65.80937	5.2
67.05505	60.3
69.07068	31.6
69.25484	21.4
69.25914	31.8
71.05005	5.8
79.05498	46.2
80.22639	4.3
81.03411	37.5
81.07059	55.8
83.04984	24.7
83.08613	17.0
85.10178	94.2
91.05479	45.8
93.07047	51.9
95.04967	28.6
95.08595	43.8
97.06555	13.5
97.10152	11.0
102.41676	4.4
105.07035	34.2
107.04967	21.5
107.08612	18.7
109.06506	6.0
109.10127	15.8
113.09640	100.0
119.08596	17.9
121.06483	5.6
121.10130	14.8
123.08074	6.9
123.11682	7.8
129.07040	10.2
131.08536	5.4
132.05577	4.6
133.10092	12.5
135.11641	9.0
143.08545	7.6
147.11743	14.1
149.09602	20.0
151.11211	12.7
157.10141	8.3
161.13278	7.5
163.11185	6.1
165.12733	94.0
175.11169	11.6
205.13710	4.9
207.13762	5.7
250.10095	8.6
259.20703	7.2
265.12268	12.6
277.21609	63.8
295.17401	8.3
295.22757	82.4
301.37592	4.3
309.79309	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.263
Annotation	METHYL LINOLEATE
Peak:m/z	Relative Intensity
53.03947	1.5
55.05507	13.3
57.03435	1.3
57.07070	4.3
59.04995	1.9
65.03929	0.5
67.05498	13.9
68.08167	0.5
69.03418	1.7
69.07063	100.0
69.34198	0.5
69.34512	5.1
70.07393	1.2
71.04984	1.7
71.08640	0.8
79.05483	4.2
81.03427	1.1
81.07050	29.2
83.04975	1.7
83.08611	8.7
85.02906	0.6
85.06546	2.4
85.10201	0.8
91.05478	1.6
93.07040	7.9
95.04993	0.9
95.08595	14.3
97.06525	3.6
97.10165	3.8
98.21488	1.3
99.08105	2.0
105.07018	3.2
105.73361	0.5
107.08574	5.7
109.02859	1.0
109.06518	1.3
109.10152	22.8
111.08094	1.7
111.11713	25.6
119.08579	1.7
121.10136	6.7
123.08080	0.7
123.11705	11.7
124.12003	0.6
125.09654	1.0
127.11213	2.0
129.12778	2.0
131.08568	0.6
133.06549	0.7
133.10165	1.8
134.91051	0.5
135.11679	2.6
137.09584	0.5
137.13203	2.4
139.11176	17.0
139.12198	1.1
147.11722	1.8
149.13283	2.3
151.11180	1.1
151.14864	1.1
153.01779	0.8
153.12740	1.6
155.29724	0.5
157.12236	1.7
160.80542	0.5
161.13287	0.7
163.11319	0.6
163.14842	1.0
165.12798	1.1
167.14330	0.8
175.14873	0.9
177.16425	1.0
193.16040	0.7
203.18076	0.7
207.08086	0.5
209.15387	0.5
221.49847	0.5
234.10391	0.5
235.07628	0.9
237.12874	0.7
250.09755	0.6
259.24152	0.7
265.12390	1.5
267.10278	0.7
277.22061	0.8
277.25418	2.5
295.09717	1.5
295.17041	1.5
295.26282	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	295.2266
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
50.68890	2.4
52.59473	2.4
53.03930	9.9
55.01853	11.9
55.05509	39.9
57.03439	5.7
57.07071	28.1
58.40383	3.0
67.05502	61.6
69.03414	7.3
69.07068	33.5
71.04974	6.7
71.08625	2.8
77.47381	3.1
79.05486	38.0
81.03410	27.8
81.07050	56.1
83.04966	19.2
83.08621	17.3
85.02883	2.7
85.10173	72.3
87.07608	2.5
91.05477	43.2
91.57650	2.5
93.07041	38.2
95.04974	31.6
95.08604	35.9
97.06532	9.5
97.10159	13.6
98.20692	6.3
98.75561	3.3
99.08120	4.9
105.07035	26.0
107.04942	12.3
107.08580	30.4
109.06519	10.8
109.10139	22.5
111.08073	6.7
113.09631	67.5
119.08572	17.5
121.10119	18.5
123.08064	8.0
123.11722	7.7
125.09631	5.4
129.07072	3.3
131.08569	7.9
133.06442	2.7
133.10118	16.6
135.11674	9.5
143.08440	2.6
145.10132	6.5
147.11694	12.6
149.09586	18.0
149.13264	3.9
151.11182	13.9
155.08524	3.3
157.10124	4.6
159.11632	3.9
161.13278	7.7
163.11183	8.3
165.12749	61.1
167.14296	3.5
175.11169	6.3
175.14751	6.4
185.13211	3.0
207.13777	5.6
229.24763	3.2
231.21101	5.6
235.07416	5.3
249.21977	3.6
259.20560	6.8
265.12234	13.2
277.21619	77.8
295.17065	4.9
295.22684	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03952	9.9
55.01868	11.7
55.05523	38.6
57.03436	17.2
57.07070	22.0
63.32334	6.9
67.05506	76.3
69.03410	7.9
69.07072	38.5
70.13980	6.6
71.04991	7.5
71.08630	47.7
79.05505	59.5
79.70089	6.8
81.03428	17.1
81.07056	89.0
83.05005	12.2
83.08611	19.3
91.05505	45.2
91.06003	7.7
92.73491	7.8
93.07053	100.0
93.08639	9.6
95.04969	20.3
95.08613	59.2
97.06503	21.6
97.34041	8.3
99.08107	41.5
105.07018	38.8
107.08573	45.9
108.98370	8.6
109.06451	8.5
109.10154	26.3
111.04436	8.6
119.08568	28.0
121.10134	52.5
125.09715	8.8
131.08560	10.8
133.10120	18.3
135.08080	8.6
135.11687	50.1
143.41769	8.8
147.11624	8.7
149.13251	18.4
151.11205	21.6
161.13240	15.7
163.14868	12.3
171.11568	8.0
179.14290	96.1
250.09868	17.5
265.12241	29.5
277.21555	32.0
295.31122	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	295.2266
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03930	8.7
55.01660	3.5
55.01872	33.1
55.05507	66.0
57.03420	5.5
57.07065	17.3
65.03934	4.5
65.12459	3.5
67.05500	73.0
69.03417	8.7
69.07064	52.1
71.04989	11.3
71.08629	12.7
79.05493	57.0
80.50800	3.6
81.03407	20.0
81.07049	91.6
83.04977	24.4
83.08609	33.5
85.02877	4.1
85.10173	14.4
91.05476	45.5
93.07037	83.9
95.04943	39.6
95.08604	62.6
97.02908	4.2
97.06527	16.1
97.10148	16.4
99.08073	9.7
105.07034	40.8
107.04946	6.6
107.08081	3.6
107.08595	35.9
109.06499	12.0
109.10145	20.0
111.08073	43.2
113.09631	14.8
117.06997	6.7
117.23872	3.6
119.08566	20.8
121.10143	24.3
123.08083	8.6
123.11686	9.2
125.09624	9.0
129.07030	7.3
130.39740	4.5
131.08549	14.5
133.06491	8.8
133.10133	34.4
135.11650	11.9
137.09634	6.5
137.13216	4.5
139.11174	10.6
141.06921	4.1
143.08556	5.6
145.10042	9.1
147.11681	18.9
149.09627	15.1
149.13211	10.1
151.11186	11.0
153.12775	4.0
157.10141	5.4
159.11673	10.0
161.09634	5.3
161.13263	10.6
163.11206	5.9
165.12758	38.3
171.11699	3.8
175.11157	7.3
175.14745	5.7
179.14262	7.1
185.13229	5.4
189.11157	6.4
195.13821	4.9
229.25842	4.2
231.21042	4.9
241.19391	4.1
249.22153	9.4
259.20581	7.0
265.12268	14.0
277.21609	100.0
295.22659	96.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03931	9.9
55.01872	55.1
55.05518	48.7
57.07060	23.9
59.36448	8.0
67.05503	61.9
69.03416	32.3
69.07078	57.2
70.11752	41.7
71.05013	10.0
71.08627	12.4
73.31863	7.5
79.05500	60.2
81.03411	28.9
81.07055	91.3
82.09277	9.2
83.04958	32.6
83.08607	30.5
84.08144	22.8
85.02902	17.6
85.06564	11.3
85.10162	21.0
88.32612	7.0
91.05464	53.1
93.07046	100.0
95.04965	33.0
95.08596	53.5
97.06541	17.8
98.20839	14.2
99.08092	13.8
100.10194	7.5
105.07023	35.5
107.04946	8.5
107.08591	34.0
109.06510	16.6
109.10140	19.0
111.08081	50.4
113.09615	12.7
117.64900	8.2
119.08573	17.9
121.10146	38.4
121.57339	9.1
131.05147	7.8
131.08607	20.8
131.10835	7.3
133.06433	12.3
133.10129	25.3
135.11688	14.3
137.09679	10.4
143.08627	8.4
147.11682	13.7
149.09621	20.4
149.13260	13.5
151.11198	13.2
165.12750	34.8
179.14371	13.5
191.08636	9.5
217.04681	8.9
219.08000	12.3
234.10373	15.5
235.07639	22.2
250.09866	32.4
253.12291	8.7
265.12225	51.7
277.15833	9.8
277.21664	87.7
278.21890	8.7
295.17145	19.9
295.22681	79.0
296.16431	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	295.2267
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03936	8.2
55.01858	4.3
55.05513	28.5
57.03436	4.5
57.07076	11.4
67.05502	31.6
69.03424	3.3
69.07066	19.7
70.71204	4.9
71.05000	2.6
79.05138	1.9
79.05497	23.0
81.03420	26.8
81.07056	32.7
83.04532	1.8
83.04984	13.6
83.08606	11.3
85.03926	2.0
85.06498	2.8
85.10167	21.1
91.05484	14.9
93.07037	21.7
94.34956	2.2
95.04956	26.9
95.08595	20.0
97.06527	4.9
97.10155	5.7
105.07034	11.9
107.04966	2.5
107.08580	13.7
109.06528	6.5
109.10149	11.2
111.08067	4.0
113.09642	24.4
119.08583	6.5
121.10120	5.9
123.08028	2.9
123.11705	2.7
125.09616	8.1
131.08580	4.1
133.10114	5.7
134.79924	2.0
135.08052	2.5
145.10139	2.7
147.11664	6.1
149.09634	4.1
151.11189	11.7
161.13216	3.1
163.11185	2.5
165.12747	41.2
179.14229	4.2
189.11195	2.7
207.13724	3.3
220.68851	2.0
259.20547	3.9
277.21619	62.4
295.22665	100.0
296.23102	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	Pseudopyronine B
Peak:m/z	Relative Intensity
55.05504	20.5
57.07055	16.3
67.05503	31.1
69.07042	14.4
69.93963	26.7
69.94366	55.9
79.05495	19.0
81.03428	32.9
81.07043	33.8
82.78069	11.9
85.10181	32.7
91.05476	17.1
93.07033	28.4
95.04943	23.4
95.08595	18.8
97.21504	12.1
107.08623	20.1
107.50758	10.4
112.17189	10.7
113.09648	25.9
119.08572	14.6
120.17122	13.3
121.10078	12.4
130.96088	11.3
141.98370	11.1
158.62010	11.3
165.12740	30.8
185.35515	12.6
196.00125	11.0
231.93088	13.1
234.10362	33.0
235.07565	27.9
240.44028	12.1
250.09885	51.6
262.48816	12.3
265.12280	100.0
277.21518	43.6
295.22574	69.0
296.16406	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03943	7.9
55.05508	35.5
57.07060	25.3
66.49950	6.8
67.05502	68.0
69.07053	25.8
70.82748	12.5
70.83135	13.5
71.08624	6.0
79.05486	28.9
81.03403	25.2
81.06671	6.0
81.07054	51.2
83.04981	16.8
83.08632	14.9
85.10176	49.7
91.05478	27.1
93.07034	33.4
95.04957	25.6
95.08591	25.3
97.06563	7.1
97.10175	12.8
105.07026	21.5
107.04955	13.2
107.08590	16.3
109.10137	11.5
111.08042	7.4
113.09630	52.1
121.02358	6.5
121.10142	9.9
133.10071	8.6
135.11723	6.3
144.83577	8.5
147.11650	8.9
149.09633	8.9
165.12747	61.8
171.84549	6.4
231.52663	6.4
265.12198	9.2
277.21664	66.4
295.17349	8.8
295.22705	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03939	25.4
55.01871	14.3
55.05502	45.8
55.05733	8.7
57.03425	11.3
57.07064	27.5
65.03905	8.1
67.05499	100.0
68.58415	7.4
69.03428	21.1
69.07065	84.7
71.04993	8.4
71.08614	11.3
71.57373	8.5
79.05486	69.0
81.03410	94.8
81.07047	94.9
81.13293	7.8
83.04978	26.5
83.08624	14.8
85.02915	10.6
85.10186	16.9
91.05478	50.6
93.07040	75.8
95.04960	54.3
95.08610	44.6
97.10155	17.0
103.24936	6.3
105.07042	43.9
107.08614	38.6
109.06548	16.3
109.10150	30.3
113.09635	12.9
119.08589	28.2
119.10459	7.6
121.10161	30.8
123.08028	10.7
123.11732	12.7
125.09696	10.3
131.08612	8.9
131.18732	8.5
133.10117	37.1
135.08003	11.6
135.11681	17.4
136.93042	8.8
137.13316	9.0
145.10196	14.5
147.11703	24.0
149.09593	13.9
149.13263	13.9
151.11166	68.2
155.08459	12.0
157.10156	13.1
161.13289	23.1
165.12759	23.6
169.10085	9.6
171.11777	10.0
179.14352	9.7
207.08212	8.6
212.05554	7.7
231.21039	8.6
234.10468	13.3
235.07623	17.3
249.22173	13.5
250.09949	25.0
259.20587	15.6
265.12369	36.1
277.21603	99.8
295.16895	36.0
295.22766	22.5
296.16660	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	295.1691
Annotation	MF-EA 705alpha
Peak:m/z	Relative Intensity
53.03951	0.7
55.01842	0.7
55.05511	2.9
57.07060	0.9
59.05001	5.5
61.36557	0.4
63.13919	0.4
67.05502	3.5
69.03429	4.2
69.07073	3.4
71.04979	0.5
79.05482	3.1
81.03403	1.1
81.07044	3.2
83.04968	1.6
83.08603	1.2
84.08139	0.5
84.94830	0.4
85.06562	0.5
90.95155	0.4
91.05463	3.8
93.07033	4.1
95.04955	1.6
95.08595	1.8
97.06498	0.7
103.05470	1.0
105.07034	12.8
107.08598	2.5
109.02824	0.4
109.06507	1.3
109.10167	2.3
111.08077	0.8
115.05458	1.1
115.42210	0.4
117.07010	1.9
119.07745	0.6
119.08564	3.7
121.06464	1.0
121.10141	3.7
123.73226	0.4
125.79599	0.4
128.06232	1.9
129.07001	1.6
130.07722	0.4
131.08563	1.4
133.06490	1.7
133.10123	13.7
134.10802	0.5
135.08034	0.8
135.11629	0.5
137.06013	0.8
141.06995	2.3
142.07756	1.3
143.08533	3.0
145.06503	0.9
145.10115	1.8
146.07321	0.4
147.08057	0.8
149.02365	0.9
149.09578	0.5
152.06203	0.7
153.06992	1.9
154.07750	1.0
155.08542	3.5
156.09314	1.3
157.10114	1.8
159.08060	0.6
159.11725	0.5
161.05945	1.1
161.09587	2.2
163.07538	1.0
165.06975	5.3
165.26253	0.5
166.07784	1.8
167.08533	3.5
168.09355	1.1
168.88235	0.5
169.10132	3.2
170.10873	0.9
171.08066	0.8
171.11644	1.2
173.09659	0.9
178.07773	3.7
179.08534	6.6
180.09305	2.6
181.06497	1.7
181.10107	4.4
182.07225	0.8
182.10887	1.1
183.08064	2.2
183.11690	2.5
185.09621	1.1
185.13254	1.7
187.11159	0.4
188.11977	0.6
189.07234	0.4
189.09099	2.2
190.07828	0.9
191.08575	4.1
192.09349	7.2
193.10124	4.7
194.10912	2.9
195.08075	3.3
195.09711	0.4
195.10017	0.4
195.11714	4.1
196.08852	2.0
197.09657	3.0
197.11253	0.6
197.13210	2.0
198.10432	1.0
199.11234	1.3
201.09183	0.6
202.07780	0.8
203.08527	1.6
204.09349	3.3
205.06473	0.8
205.10092	4.4
206.07309	0.7
206.10934	2.6
207.08090	4.3
207.11652	7.0
208.08824	1.6
208.12294	1.0
209.09622	6.2
209.13232	4.9
210.10352	2.7
210.13800	0.8
211.07582	0.7
211.11165	3.9
212.11961	0.7
213.12834	0.8
217.10194	0.9
218.10912	0.8
219.08261	2.0
219.11662	8.7
220.08888	2.3
220.12424	1.6
221.09618	5.9
221.13237	1.5
222.10350	5.8
222.13829	0.5
223.07631	0.5
223.11153	6.0
223.14734	0.8
224.08298	0.6
224.11905	1.3
225.09091	1.6
225.12718	3.4
225.16299	0.7
227.10887	0.5
229.10123	1.6
229.21227	0.6
230.10748	0.5
232.08817	3.0
233.09592	3.2
233.13255	1.3
234.10368	3.0
234.13927	2.9
235.11197	5.9
235.14771	2.0
236.11888	1.2
237.12724	26.3
238.09827	0.8
238.13339	1.3
239.10721	1.8
239.14171	0.5
239.17947	0.8
244.12404	1.0
246.10413	0.8
247.11171	11.0
248.11905	2.8
249.12660	1.0
249.16379	3.1
251.14340	2.3
252.15092	9.1
253.12152	3.8
253.15858	2.4
259.14648	0.7
261.12686	1.8
262.13501	8.7
265.12286	4.2
267.13864	0.5
267.14392	0.7
267.17477	7.8
277.15863	44.4
278.16232	1.3
280.14563	19.3
281.14752	0.5
295.16916	100.0
296.17285	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1692
Annotation	MF-EA 705alpha
Peak:m/z	Relative Intensity
51.26520	1.3
55.05511	2.3
59.05014	3.3
60.58136	1.4
61.98755	1.4
63.83602	1.5
66.06364	1.2
66.74607	1.2
67.05496	1.5
69.03413	1.3
69.07061	2.0
69.90445	1.5
69.94062	8.1
72.70939	1.2
79.05486	2.6
79.67637	1.5
84.85701	1.4
91.05508	2.0
105.07010	6.5
119.08576	2.3
128.06235	1.6
131.08658	1.6
133.10114	11.5
143.08589	3.7
145.06532	1.7
145.10216	2.1
155.08557	2.9
156.09357	1.7
161.09593	1.6
165.07033	2.8
167.08658	2.5
169.10097	2.5
178.07817	3.6
178.77574	1.3
179.08566	5.8
180.09253	1.6
181.10098	3.0
183.11685	2.6
189.08955	2.0
192.09328	4.2
193.10130	6.0
195.08087	3.4
195.11632	2.4
197.09593	3.2
203.08640	1.6
204.09323	2.5
205.10088	3.4
206.10896	2.6
207.08038	3.1
207.11678	3.1
209.09596	4.5
209.13234	3.5
210.10492	1.7
211.11134	3.5
219.08031	1.5
219.11691	5.5
220.12352	1.8
221.09653	3.5
222.10381	4.6
223.11156	4.9
225.12712	3.0
233.09691	2.5
233.13062	1.7
234.14101	1.8
235.11133	3.9
237.12744	18.3
247.11208	9.3
249.16367	2.3
252.15152	7.8
253.12148	2.5
253.15907	3.0
260.46191	1.4
262.13492	6.7
267.17365	10.4
277.13333	1.1
277.15860	41.8
280.14590	16.0
295.16931	100.0
296.17148	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	295.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.05264	2.0
55.05508	23.8
57.03435	1.6
57.07076	16.5
59.04990	3.9
65.03944	2.6
67.05502	19.2
69.03431	4.1
69.07064	100.0
69.55337	9.7
69.55743	3.6
71.04993	3.2
71.82032	1.3
73.06519	1.7
79.05484	10.6
81.03405	5.6
81.07054	51.3
83.04968	4.3
83.08607	13.6
85.02924	2.0
85.06535	7.5
89.03913	2.8
91.05472	6.8
93.07040	15.1
95.04964	3.4
95.08598	27.3
97.06533	5.1
97.10167	5.2
99.04493	2.1
99.08114	4.2
105.07040	10.2
105.45300	1.5
107.08602	13.5
109.02846	1.6
109.06522	3.8
109.10158	22.3
111.08088	1.6
111.11713	25.4
116.98602	1.7
119.08557	8.4
121.02863	2.5
121.10126	13.5
123.08076	1.7
123.11705	22.0
125.09622	1.9
127.03994	1.9
129.12735	2.4
133.06511	2.4
133.10150	3.0
135.11728	3.8
137.13237	8.1
139.11165	15.0
143.08601	1.5
145.02866	4.5
145.10120	2.2
147.11659	6.2
149.02342	64.7
149.13315	4.5
151.11185	1.9
157.12267	1.5
161.09537	1.8
166.01855	1.6
175.07552	2.3
177.05486	6.2
178.05762	2.4
179.08624	1.5
203.07014	3.4
207.08113	1.6
219.61617	1.4
259.24173	2.4
277.25339	4.0
295.09592	3.3
295.16891	5.9
295.26334	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.05264	2.0
55.05508	23.8
57.03435	1.6
57.07076	16.5
59.04990	3.9
65.03944	2.6
67.05502	19.2
69.03431	4.1
69.07064	100.0
69.55337	9.7
69.55743	3.6
71.04993	3.2
71.82032	1.3
73.06519	1.7
79.05484	10.6
81.03405	5.6
81.07054	51.3
83.04968	4.3
83.08607	13.6
85.02924	2.0
85.06535	7.5
89.03913	2.8
91.05472	6.8
93.07040	15.1
95.04964	3.4
95.08598	27.3
97.06533	5.1
97.10167	5.2
99.04493	2.1
99.08114	4.2
105.07040	10.2
105.45300	1.5
107.08602	13.5
109.02846	1.6
109.06522	3.8
109.10158	22.3
111.08088	1.6
111.11713	25.4
116.98602	1.7
119.08557	8.4
121.02863	2.5
121.10126	13.5
123.08076	1.7
123.11705	22.0
125.09622	1.9
127.03994	1.9
129.12735	2.4
133.06511	2.4
133.10150	3.0
135.11728	3.8
137.13237	8.1
139.11165	15.0
143.08601	1.5
145.02866	4.5
145.10120	2.2
147.11659	6.2
149.02342	64.7
149.13315	4.5
151.11185	1.9
157.12267	1.5
161.09537	1.8
166.01855	1.6
175.07552	2.3
177.05486	6.2
178.05762	2.4
179.08624	1.5
203.07014	3.4
207.08113	1.6
219.61617	1.4
259.24173	2.4
277.25339	4.0
295.09592	3.3
295.16891	5.9
295.26334	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1537
Annotation	Pyrethrosine
Peak:m/z	Relative Intensity
53.03937	12.6
55.01862	19.0
55.05503	23.2
57.03422	22.6
61.02920	6.0
61.73729	4.7
62.29222	5.6
65.03934	6.5
67.05496	62.1
69.03425	48.1
69.07062	22.2
70.73721	11.2
70.74088	11.6
71.01361	12.1
71.04987	19.7
72.06736	6.2
73.02921	15.2
79.05482	65.7
81.03409	33.6
81.07053	73.4
83.04996	28.4
83.08619	13.5
85.02908	18.7
85.06546	51.9
91.05472	73.4
93.07038	42.2
95.04944	30.8
95.08615	12.2
97.02885	25.1
97.06518	11.8
99.04498	6.6
103.03957	9.3
103.05468	10.8
103.09258	6.4
105.07025	60.5
107.04967	18.1
107.08604	26.4
109.02872	24.8
109.06498	47.4
111.04448	9.9
115.05454	6.9
117.07016	28.4
119.04884	10.4
119.08545	34.1
121.06480	29.2
121.10136	11.4
123.04413	14.3
123.08064	13.2
127.03896	6.9
128.06241	16.1
129.06992	32.1
131.04927	16.2
131.08513	30.2
133.06496	22.0
133.10121	23.0
135.08055	16.2
135.11667	6.6
135.34473	6.3
137.05869	7.8
141.06985	9.0
142.07724	6.1
143.08571	21.5
145.06499	21.4
145.10162	13.6
147.04402	7.2
147.08060	20.9
147.11708	7.9
149.06007	11.9
149.09636	18.1
151.07507	9.6
151.11200	14.0
154.07826	9.2
155.08562	10.1
157.06544	10.4
157.10121	9.2
158.07237	6.2
159.08070	13.5
159.11655	9.6
161.05991	9.0
161.09610	20.3
163.07547	7.0
163.11191	17.2
165.09171	6.6
169.10123	9.1
171.08093	13.8
171.11685	12.6
173.05925	7.5
173.09677	14.6
175.07547	6.9
175.11169	13.0
177.12779	8.7
185.09702	11.0
187.11215	12.2
189.12694	9.1
191.10666	12.3
195.11737	7.3
199.11157	11.9
205.12267	22.4
207.13855	6.7
213.12755	8.3
217.12233	13.8
229.12352	9.9
233.11765	14.1
235.13318	19.2
241.12201	11.9
247.13193	10.1
249.14973	6.0
259.13339	21.6
265.14554	6.4
277.14288	28.6
295.15329	100.0
313.58566	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	294.2063
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
50.25368	0.3
55.01882	0.3
57.07058	1.2
65.03928	0.4
66.04713	0.3
67.05495	0.6
69.07050	1.1
70.19208	1.5
71.08614	1.3
78.36732	0.3
79.05475	1.1
81.07045	1.2
82.90737	0.3
91.05474	1.1
94.04190	3.1
95.04929	0.4
95.08586	0.4
97.10204	0.4
106.17345	0.3
109.06499	1.4
120.73835	0.3
121.10188	0.4
121.60019	0.3
122.03641	8.6
137.05971	100.0
138.06329	1.2
141.01001	0.4
141.12766	1.9
145.91582	0.3
158.15405	1.7
197.07300	0.7
227.65738	0.3
276.20270	0.4
294.21097	0.5
309.38025	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98323	0.2
55.01863	0.3
56.96534	0.2
57.03424	0.3
57.04545	0.9
59.99132	0.2
60.51059	0.2
61.02931	0.3
65.03947	0.2
67.05511	0.3
69.03425	1.3
69.07063	0.4
70.06583	0.2
70.13827	1.2
73.02934	0.2
79.05470	0.4
81.03388	0.5
81.07019	0.3
82.04063	0.4
82.48153	0.2
83.04945	0.2
85.02899	2.1
87.27591	0.2
91.05477	0.7
93.07034	0.8
94.04049	3.1
95.04974	0.4
96.05616	0.6
97.02885	0.5
107.04922	0.2
108.04337	0.6
109.02884	0.5
109.06557	0.2
111.04420	0.4
112.05080	0.8
115.05504	0.3
119.03544	0.2
121.06481	0.7
121.10173	0.2
123.06680	2.4
124.84291	0.2
127.03918	0.4
129.68825	0.2
130.46274	0.2
131.04884	0.2
133.05058	0.6
135.04454	0.3
135.05432	0.3
139.03848	0.2
139.07442	0.2
140.37909	0.2
145.04996	0.3
145.06517	0.2
148.06158	0.4
149.05972	0.4
150.07744	100.0
151.08202	1.3
177.09152	0.3
217.04915	0.2
231.02950	0.3
265.12360	0.2
295.11493	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.4
64.36438	0.8
67.05495	1.9
69.03416	1.6
69.30136	1.1
69.30534	6.8
71.17445	0.8
72.58071	0.6
79.05504	4.3
81.03416	38.0
81.07050	9.4
83.04971	2.6
85.02895	2.2
85.06507	0.7
86.09704	0.7
91.05466	1.5
93.07047	1.2
95.04926	0.8
97.06541	1.9
98.21495	1.7
107.04955	2.3
109.02875	100.0
109.06522	7.9
110.03194	0.8
111.04456	2.5
119.08596	0.8
121.06483	1.6
125.05991	2.0
127.03902	4.0
133.04973	0.7
135.04433	1.3
137.05949	5.8
139.07568	1.2
141.05479	0.7
141.09073	5.1
143.08549	1.2
150.06880	0.6
151.07437	0.7
167.07050	1.9
169.08594	0.9
181.08415	0.7
189.09129	1.4
217.08585	1.5
245.05371	0.7
245.08153	2.3
259.09491	3.3
295.11810	0.7
305.47272	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32633	0.3
55.01854	0.4
55.05495	0.5
57.07084	1.4
66.04710	0.3
67.05493	0.8
69.07058	0.9
70.88354	0.8
71.08607	0.5
79.05477	1.0
81.07047	2.6
82.80151	0.3
91.05460	1.1
94.04176	3.3
95.04999	0.4
107.04964	0.6
109.06505	1.0
109.10199	0.3
121.10084	0.4
122.02757	0.4
122.03644	7.8
123.11681	1.9
137.05971	100.0
138.06308	1.3
147.18756	0.3
155.15767	0.3
158.15395	1.5
159.04921	0.3
170.15376	2.2
192.10936	0.3
197.07387	0.4
198.98317	0.4
210.12160	0.5
226.33087	0.3
238.11496	0.7
276.20496	0.4
290.70694	0.3
294.21323	0.3
312.04904	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06381	3.4
54.84326	3.0
55.01880	23.0
57.07066	10.9
58.99586	23.3
60.13362	3.0
60.66357	3.0
61.02911	8.6
67.05530	3.2
68.99781	18.7
69.03425	8.4
69.07067	20.1
69.37103	9.0
69.37526	26.8
69.99306	6.8
70.06586	9.8
73.02930	19.4
74.99071	8.4
75.58118	3.4
77.00616	3.6
79.05486	5.6
81.07039	4.4
82.99679	3.2
84.04500	8.1
85.02908	4.3
86.06066	90.2
86.99070	21.9
87.00830	61.4
91.05431	3.7
93.07010	4.1
95.04949	3.7
102.98538	12.5
105.01864	18.4
108.05274	3.7
109.02868	4.0
115.07583	6.0
120.04819	8.5
120.99564	100.0
126.03701	9.2
127.04554	6.4
128.05298	8.6
129.01840	6.1
131.03412	4.2
133.01308	5.2
134.82985	3.8
139.03941	4.5
144.06570	5.4
144.63724	3.4
148.00664	16.5
154.05035	10.9
157.01309	11.8
163.03889	12.7
164.04239	26.5
173.05075	6.7
173.98582	33.5
175.02415	10.0
177.01883	7.0
178.02155	12.5
190.05318	33.6
191.03374	13.9
192.03726	44.9
197.07317	20.1
205.01346	4.9
205.07343	4.2
206.01671	9.3
206.99690	4.6
211.02586	3.7
219.02831	21.9
220.03235	98.3
221.03419	3.5
248.02666	30.5
248.09239	17.2
266.03745	6.3
276.02188	6.1
294.03226	65.7
294.10117	17.5
295.03339	3.6
315.82162	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	294.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.01872	0.8
55.05510	0.6
56.05014	0.8
56.96565	4.4
57.03429	1.7
57.05808	0.4
57.07066	1.2
58.06607	0.6
61.02914	1.7
63.57484	0.4
67.05495	0.8
69.03426	6.1
69.07069	14.0
69.92561	1.2
69.92976	0.9
70.06587	0.5
71.01333	0.4
71.04997	1.2
72.08161	0.5
73.02921	2.2
74.06100	0.4
75.02567	0.4
77.67796	0.3
77.95826	0.3
78.38023	0.3
78.96939	0.3
79.05482	0.5
80.32509	0.3
81.03410	2.7
83.04993	0.7
83.08576	0.4
84.08151	0.9
84.96025	0.5
85.02905	7.8
86.06094	0.5
86.09705	100.0
86.29078	0.3
87.04475	0.9
87.10025	0.8
93.07038	0.4
96.04482	0.6
97.02893	4.4
98.09725	0.5
98.21423	0.5
98.97583	2.3
99.04459	1.6
109.02880	2.6
110.07112	0.7
110.97546	0.7
114.05476	0.4
114.09192	0.4
115.03923	0.9
115.07549	1.1
116.98620	2.7
119.01881	1.2
124.32705	0.4
127.03917	5.6
128.10818	0.5
128.98587	1.0
131.04871	0.4
131.96152	1.7
131.99696	1.1
132.10190	7.3
132.95818	0.6
134.99666	1.6
137.06009	0.5
138.05518	1.3
139.50891	0.4
141.01082	0.6
143.96104	0.5
144.10223	0.5
145.04979	1.6
146.99669	2.0
149.02901	0.5
149.97214	1.2
150.00739	1.8
150.96858	0.5
153.01866	2.2
154.08664	0.5
158.99612	0.9
159.03232	0.6
161.01219	0.7
161.02954	0.8
161.07886	0.4
161.97203	0.8
162.03075	0.4
167.03392	1.0
168.67743	0.4
173.03024	0.4
173.04478	1.7
173.97224	1.5
175.04344	0.8
177.00740	1.3
177.04369	0.7
178.04962	0.4
184.04921	1.1
185.97324	0.5
186.97003	0.5
189.00746	0.9
191.03885	0.5
191.05566	0.6
191.98280	1.4
192.01790	1.1
193.00162	0.4
197.07326	1.3
200.04501	0.6
201.00725	0.5
202.08730	0.5
203.09052	0.9
203.98230	1.0
204.04587	0.8
205.03775	0.7
211.00856	0.7
212.12912	0.6
213.07248	0.4
213.53583	0.4
219.01762	0.6
220.02017	0.4
222.05756	2.5
229.01909	0.5
230.13914	1.4
237.02882	1.2
248.15044	1.1
250.05333	3.7
252.00478	0.4
255.03853	0.5
258.13327	2.6
267.00171	0.5
271.03366	0.4
276.14423	4.4
294.04413	0.7
294.09854	0.8
294.15289	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2474
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
51.22283	1.2
53.03925	2.4
55.01862	1.4
55.05510	16.6
57.03432	4.1
57.07066	10.1
59.04987	3.5
63.81752	1.3
65.03944	1.4
67.05509	31.0
69.03423	6.1
69.07071	35.7
71.04990	5.6
71.08614	1.8
71.57623	1.9
73.60476	1.3
79.05489	14.9
81.03415	4.9
81.07055	100.0
83.04961	2.7
83.08634	7.9
85.02909	6.4
85.06541	8.1
90.29572	1.2
91.05473	8.2
93.07043	18.3
95.04954	4.7
95.08605	43.9
97.02906	1.9
97.06510	6.3
97.10160	6.9
99.08103	3.2
103.05456	11.7
105.07034	11.7
107.08590	18.6
109.02911	1.8
109.06506	4.5
109.10152	45.1
111.08091	3.0
111.11707	2.8
117.07014	1.8
119.08569	8.6
121.06538	1.4
121.10141	20.1
123.08094	2.2
123.11704	49.0
125.09628	5.1
127.03908	1.8
127.07555	2.2
127.11211	2.8
130.54272	1.4
131.04926	30.1
131.08548	2.7
133.10138	3.0
134.94905	1.8
135.11711	9.4
137.09618	3.0
137.13246	5.5
139.11150	3.4
141.12779	3.4
145.10114	4.5
147.11685	9.6
149.09607	2.4
149.13277	4.8
151.11134	3.7
153.12717	1.6
155.10655	1.5
159.11668	2.0
161.13222	2.2
163.11168	1.9
163.14861	2.0
165.12733	9.5
169.12247	1.6
173.13284	1.5
175.14819	2.5
177.16431	2.4
187.13329	2.4
189.16470	1.5
190.87045	1.3
247.14896	1.5
257.22644	1.7
264.15112	2.0
265.15948	2.3
275.09164	2.0
275.20459	1.4
275.23770	3.5
293.15317	5.2
293.21304	1.6
293.24719	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	293.2838
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
50.93128	0.9
55.05508	17.9
56.96541	1.6
57.07071	9.5
57.97095	1.1
67.05502	30.5
69.03406	1.8
69.07067	33.5
69.72650	7.0
71.04990	3.0
71.08630	3.2
73.06546	1.2
75.82480	1.0
79.05492	11.4
81.03402	3.7
81.07053	100.0
82.46575	1.0
83.04950	1.2
83.08620	16.2
85.02880	1.1
85.06533	9.2
85.10191	1.6
91.05466	5.3
93.07035	16.2
95.04956	2.8
95.08604	81.7
95.17934	1.0
97.06523	1.5
97.10148	8.4
98.97559	2.5
99.08099	4.2
100.72852	1.1
103.05447	5.3
105.07021	3.7
107.08591	14.6
109.02892	1.1
109.06526	2.6
109.10152	43.4
111.08037	2.2
111.11719	5.3
116.98592	2.8
119.08572	3.4
121.10142	7.1
123.08058	1.7
123.11701	20.3
125.09634	3.1
125.13273	1.6
127.11251	1.6
130.68663	1.0
131.04915	12.6
131.08475	1.5
133.10164	1.4
134.99612	2.4
135.11679	7.1
137.13231	9.6
139.11200	1.4
147.11684	1.5
149.02315	6.9
149.09612	1.3
149.13266	8.2
151.11320	1.1
151.14818	9.0
163.14848	2.9
165.16426	3.1
167.14272	1.1
173.13245	1.1
175.07559	1.5
177.16411	1.9
179.17955	1.6
182.14240	1.2
191.17989	1.8
203.07104	1.7
223.20493	1.1
293.03387	2.0
293.21167	1.1
293.24966	1.9
293.28317	12.9
311.04330	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.59615	4.0
55.01860	11.3
55.05509	35.2
56.96553	6.6
57.03420	5.7
57.07084	20.7
58.68030	4.1
65.46185	4.2
65.67744	4.1
66.30103	3.6
67.05176	4.8
67.05502	57.6
69.03448	4.2
69.07064	40.0
71.04970	6.7
71.58607	5.0
71.59637	3.9
72.40511	3.9
79.05493	54.4
81.03410	9.3
81.07053	100.0
83.04961	8.0
83.08598	14.2
85.06534	5.9
91.05466	37.4
93.07043	48.1
95.04964	39.4
95.08166	4.2
95.08617	49.4
97.06524	8.0
97.10159	10.5
105.06487	4.2
105.07043	41.9
107.04922	12.6
107.08593	32.0
109.06498	23.9
109.10147	20.6
111.08115	5.8
117.07001	13.8
119.08591	30.8
121.06485	10.6
121.10130	17.3
123.08056	12.5
123.11683	10.9
125.09606	5.5
131.08562	22.7
133.10114	24.8
135.08043	10.4
135.11653	10.0
137.05966	10.8
137.09575	13.5
145.10124	18.1
147.08107	4.9
147.11650	17.3
149.09595	18.4
149.13329	6.1
151.11092	4.7
159.11649	11.5
163.03922	6.5
163.11211	11.8
163.14992	4.7
173.13213	9.5
191.10597	4.8
197.07341	9.1
201.12851	5.1
209.11632	11.8
212.52739	4.1
219.10072	5.3
237.11151	9.1
237.16632	4.6
247.20604	6.9
257.18936	6.6
275.16974	8.6
275.20062	75.4
293.21063	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03940	11.1
55.01870	64.7
55.05509	69.7
56.96557	5.3
57.03427	7.6
57.07068	14.1
57.37688	5.6
67.05505	86.3
69.03431	8.5
69.07066	57.3
71.04985	9.9
71.57541	8.3
79.05489	70.9
81.03407	14.9
81.07053	80.6
81.14413	4.7
83.04978	15.6
83.08623	51.0
85.06521	7.9
91.05477	62.3
93.07034	61.1
93.70415	4.7
95.04971	100.0
95.08618	49.5
97.02873	5.4
97.06536	21.6
97.10155	11.5
105.07027	54.0
107.04958	34.9
107.08591	52.0
109.06523	17.6
109.10153	41.8
111.08080	90.6
111.08778	7.6
117.07018	20.6
119.08575	40.2
121.06528	18.2
121.10132	31.5
123.08083	19.3
123.11736	8.7
125.09647	11.9
129.06981	7.8
131.08582	26.6
133.10132	39.0
135.08061	12.3
135.11725	14.7
137.09575	18.9
139.11188	5.3
145.10152	26.2
147.08017	9.2
147.11676	15.3
149.09634	39.2
149.13219	6.3
151.11139	12.3
151.62328	5.6
157.10168	7.7
159.11725	15.4
159.58064	5.9
161.13258	6.7
163.11197	44.1
165.12764	8.5
173.09642	6.2
173.13269	17.4
177.09314	5.4
177.12741	7.6
187.11234	8.5
189.11174	6.4
191.14299	7.6
223.13284	16.0
229.19540	5.3
231.31567	5.7
247.20576	7.6
257.19052	13.4
275.20056	83.1
293.21097	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.23576	2.0
55.01872	4.0
55.05513	15.9
55.87158	2.0
56.72021	2.3
67.05505	32.1
69.07065	24.6
69.34560	14.0
69.34982	6.7
79.05492	20.8
81.07053	32.9
83.04983	9.5
83.08607	7.3
91.05475	24.1
93.07043	29.9
95.04980	8.3
95.08601	20.2
97.06527	3.6
97.10165	2.9
99.82784	1.9
105.07034	27.0
107.04946	6.7
107.08595	17.4
109.06513	8.7
109.10154	8.8
117.07012	7.4
119.08562	15.2
121.06522	13.6
121.10140	10.4
123.08099	7.9
123.11680	2.8
131.08589	14.2
133.10118	14.6
135.08040	3.6
135.11668	6.7
137.09605	4.2
143.08754	2.0
145.10121	12.4
147.08080	3.9
147.11676	12.8
149.09596	4.7
149.13235	2.5
151.11125	6.3
157.10097	4.0
159.11691	5.8
161.09608	2.8
161.13278	4.5
162.60966	2.1
163.11218	5.4
164.42746	2.0
173.09619	3.1
173.13281	6.0
177.12712	2.7
207.13782	2.9
215.13968	2.0
219.13763	4.3
229.19452	2.5
235.49254	2.1
239.17786	3.2
247.20575	4.6
254.76315	2.4
257.19049	13.0
266.40894	2.3
275.20071	100.0
293.21017	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	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03931	1.1
55.01862	7.5
55.05509	24.9
57.03440	1.0
57.07056	1.4
65.74960	0.9
67.05503	19.0
69.03426	1.8
69.07069	11.0
71.04974	2.0
71.08628	1.3
71.19038	2.2
74.49488	1.0
79.05062	1.4
79.05489	15.8
81.03419	8.8
81.06593	1.5
81.07052	18.6
83.04968	4.1
83.08607	14.3
85.02897	3.0
85.06522	1.5
87.04510	1.0
90.81858	0.9
91.05478	11.4
93.07042	15.8
95.04967	100.0
95.08609	10.5
97.06505	1.9
97.10140	4.7
105.07035	10.5
107.04948	9.1
107.08592	10.9
109.06521	7.0
109.10158	3.6
111.04453	1.3
111.08089	5.1
113.26097	1.0
117.07006	4.5
119.08580	8.2
121.06518	6.5
121.10133	6.6
123.08062	5.2
125.09641	5.5
129.07002	1.5
131.08545	6.1
133.10109	4.2
135.08032	3.9
135.11690	3.9
137.09648	1.9
145.06526	1.3
145.10132	10.7
147.08061	3.8
147.11693	3.7
149.09621	16.1
151.11201	1.1
153.09067	2.5
156.97574	1.0
159.11668	4.0
163.11180	20.9
165.12729	4.1
169.10172	1.4
177.12769	2.3
187.11168	3.2
189.11235	3.1
205.12268	3.4
223.13271	31.5
229.19466	2.0
247.20461	1.5
257.18964	1.7
275.20081	22.7
276.20438	1.0
293.21100	42.9
294.21399	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03934	2.6
55.01880	5.3
55.05511	13.2
56.96557	2.0
57.03421	2.2
57.07073	16.7
65.03917	1.2
67.05505	14.1
68.49226	0.9
68.99788	1.4
69.03419	1.8
69.07066	6.7
69.79695	5.5
71.08614	1.1
79.05494	13.7
81.03404	2.9
81.07048	13.9
83.04986	4.6
83.08627	7.0
85.02927	1.3
85.06554	1.0
90.27929	0.8
91.05478	9.7
93.07034	9.9
93.07556	1.0
93.38038	0.8
94.04179	2.7
95.04963	22.8
95.08615	8.9
97.02929	1.1
97.06538	2.1
97.10191	5.4
97.10690	1.0
105.06458	0.9
105.07050	8.3
107.04961	5.9
107.08586	11.5
109.02876	2.7
109.06511	4.7
109.10157	6.7
111.04439	7.0
111.08061	3.1
115.07565	0.9
117.07022	3.0
119.08615	5.3
121.06487	1.0
121.10142	5.8
122.03642	7.4
123.08045	2.0
123.11687	3.5
125.05981	3.5
125.09600	5.4
131.08551	4.1
133.10118	5.5
135.04424	2.0
135.08058	1.6
135.11667	2.2
137.05975	100.0
137.09529	2.0
139.07541	1.1
141.12608	0.8
145.10118	5.9
147.08051	1.1
147.11665	3.3
149.09615	17.1
151.11174	4.1
153.05452	5.2
158.15367	1.2
159.11757	1.2
161.09743	1.0
161.13281	1.4
163.03912	3.5
163.11179	8.5
167.10722	1.3
170.15372	1.8
173.09380	1.0
173.13307	1.9
175.07579	1.0
177.12730	1.4
181.04947	9.9
181.12204	1.7
189.11189	3.2
191.10683	8.1
195.10162	3.5
205.12209	1.2
209.11722	22.4
219.10133	3.7
223.13336	7.5
229.19519	1.0
237.08740	1.8
237.11191	28.9
247.20619	1.7
257.19025	2.2
265.18011	2.3
275.20081	17.3
293.18277	1.5
293.21204	15.7
311.07849	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.54079	9.6
55.01857	15.7
55.05508	53.4
58.12083	10.1
65.03891	10.1
67.05493	39.1
69.07060	19.9
69.56564	76.0
76.87432	8.9
79.05507	43.2
81.03411	28.0
81.07072	46.1
83.08617	49.8
91.05480	28.9
93.07030	30.2
95.04953	100.0
95.08600	23.5
97.10126	15.0
98.20743	13.1
105.07037	23.2
107.04956	29.8
107.08605	27.8
109.06514	10.3
117.07005	12.2
119.08567	14.3
121.10157	15.2
123.08001	10.4
125.09637	12.4
131.08537	22.4
145.10112	20.4
149.09589	50.1
159.11670	15.9
163.11182	32.7
183.84445	8.2
223.13232	11.6
249.39426	9.8
257.19107	14.4
275.19983	49.2
293.21014	55.0
294.21603	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	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03938	5.5
55.01862	10.4
55.05510	18.2
57.07069	5.1
57.36056	3.1
65.03943	5.1
67.05502	38.9
69.07064	23.1
71.03397	6.3
71.04968	4.1
76.77109	2.6
77.58047	2.6
78.14013	2.3
79.05493	37.1
81.03410	10.7
81.06587	5.2
81.07056	100.0
83.04977	5.9
83.08627	17.3
85.06533	3.7
91.05471	24.3
93.07034	28.2
94.97692	2.5
95.04965	28.1
95.08611	26.0
97.06520	5.0
97.10171	3.9
105.07019	31.1
105.89601	2.6
107.04963	15.4
107.08592	17.6
109.06519	36.9
109.10177	15.7
111.04440	3.0
111.08072	6.8
115.48658	2.5
117.06988	7.0
117.27269	2.5
118.64871	2.6
119.08572	21.0
121.06506	3.5
121.10142	15.9
123.08075	10.2
123.11701	5.3
125.09614	5.5
131.08553	13.2
133.10141	19.5
135.08080	6.2
135.11658	6.3
137.09645	3.4
145.10068	13.8
147.08040	4.2
147.11696	21.1
149.09622	7.1
149.13268	4.6
151.11201	5.2
157.10049	2.8
159.11731	8.6
161.13246	3.2
163.11162	9.3
165.12750	3.9
173.09645	3.7
173.13278	3.8
175.11201	5.6
177.12802	4.6
183.11731	3.8
191.14314	3.0
193.12076	2.9
206.84741	3.0
209.11899	2.9
239.17711	2.5
247.20613	5.8
257.19073	6.3
275.20081	43.0
293.21118	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	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01867	9.8
55.05510	32.9
57.07065	5.9
67.05183	6.6
67.05508	83.1
69.07072	20.0
70.23488	19.5
75.41534	3.6
79.05492	33.5
81.03429	5.8
81.07055	100.0
83.04980	3.9
83.08627	25.6
86.98646	4.0
91.05470	26.2
93.07051	36.0
95.04967	34.1
95.08607	71.6
97.06519	10.6
97.10181	8.6
105.07040	22.2
107.04944	10.6
107.08591	25.5
109.06484	9.8
109.10153	30.9
111.08084	7.3
117.07008	10.2
119.08600	18.5
121.10138	19.4
123.08051	9.3
123.11748	9.3
125.09597	7.1
125.16962	3.9
131.08553	13.4
133.10136	12.5
135.08031	9.2
135.11681	13.0
137.09631	9.2
145.10130	16.5
147.11691	15.4
149.09612	22.0
149.13168	4.1
151.11148	5.4
159.11751	8.0
163.11192	22.8
173.13274	11.0
177.12756	9.3
191.08646	3.8
197.07358	4.8
209.11551	4.9
239.17960	10.2
247.20729	4.6
257.18967	18.8
275.20074	60.8
287.74561	4.2
293.21106	23.9
293.24304	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	293.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51041	6.2
69.59172	43.0
70.42232	6.4
73.38055	6.2
77.15747	6.8
91.98526	5.7
119.01911	29.8
131.01904	13.3
136.13373	8.0
143.01926	35.1
161.02975	55.9
173.02980	16.1
203.04018	28.4
293.06363	100.0
305.37589	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	293.138
Annotation	40321-98-0
Peak:m/z	Relative Intensity
53.03935	1.7
55.01885	0.6
55.05511	25.7
65.03934	2.7
67.05495	1.9
69.03420	1.3
69.07055	2.1
69.42394	5.8
71.04968	0.8
73.06548	7.7
79.05495	0.7
81.07082	3.4
81.07459	0.6
83.04982	0.9
83.08641	0.7
85.06567	0.7
91.05475	3.4
93.07029	2.3
95.04951	1.5
95.08596	2.5
103.05444	2.5
105.07008	2.0
107.08595	1.1
109.02889	0.8
109.06516	0.7
109.10145	2.5
111.04434	0.9
117.07025	0.9
119.08624	1.2
121.02869	7.0
121.06531	0.6
121.10119	1.3
123.11722	0.9
127.03848	0.6
129.06999	3.7
131.04939	7.6
131.08577	4.1
133.10121	1.2
135.08011	0.6
135.11726	0.9
137.06013	0.7
137.09653	1.1
143.04897	1.0
145.10139	0.7
149.02336	100.0
150.02641	1.5
157.06471	1.4
161.05997	5.8
167.03398	2.4
175.07544	18.6
182.92912	0.6
185.05948	0.8
187.11089	0.7
190.04893	0.9
203.07021	19.7
234.77065	0.6
275.12799	2.0
275.19888	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.35989	1.1
53.03938	2.8
55.01870	10.5
55.05513	25.5
57.07066	3.4
59.05034	1.4
65.03938	1.2
67.05506	21.1
69.03426	2.0
69.07059	9.5
70.71446	3.7
71.01328	1.4
71.05000	2.7
79.05486	17.5
80.59988	1.3
81.03422	5.9
81.07050	18.3
82.62158	1.3
83.04987	5.5
83.08611	12.3
85.02906	3.2
91.05482	13.1
93.07044	15.7
95.04970	100.0
95.08603	13.0
97.06528	3.9
97.10197	7.2
99.08128	1.4
105.04412	1.4
105.07017	9.5
107.04953	11.3
107.08591	11.5
109.06524	7.1
109.10173	4.3
111.04449	1.9
111.08074	8.9
117.07022	4.6
119.08582	10.0
121.06484	7.1
121.10155	5.5
123.08081	5.4
123.11729	1.7
125.09636	5.8
129.07007	2.2
131.08560	5.5
133.10132	6.6
135.08044	3.9
135.11705	5.5
137.09592	3.3
143.08580	2.3
145.10156	8.8
147.08051	3.7
147.11684	3.4
149.08536	1.9
149.09612	14.4
159.11745	3.6
161.09718	1.7
163.11176	22.4
165.12860	2.8
169.10100	2.0
177.12785	1.8
187.11180	3.1
189.11327	1.9
193.12221	1.5
203.75662	1.3
205.12338	3.1
209.11612	2.3
223.13281	26.3
229.19568	1.8
237.11252	3.1
237.14870	1.4
247.20541	1.5
257.19034	3.4
275.20047	21.0
293.17816	2.7
293.21078	35.0
293.24295	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0291
Annotation	Phyllanthusiin E
Peak:m/z	Relative Intensity
51.02361	0.6
53.00301	1.0
53.03933	1.0
56.96531	0.5
65.03902	0.5
67.05489	1.0
68.99789	0.5
69.03413	1.1
69.92487	2.8
71.14925	0.5
79.05495	5.5
79.26223	0.5
81.03405	1.3
81.07047	0.8
86.06052	1.2
89.03905	1.2
91.05497	2.4
93.03407	0.9
93.07019	0.9
95.04964	1.2
95.08614	1.0
96.56968	0.5
97.02866	0.7
97.13254	0.5
98.62395	0.5
99.00780	1.0
105.07041	0.7
107.04950	5.5
109.02876	2.5
115.55852	0.5
117.03371	2.6
119.04926	1.7
119.68661	0.5
120.99524	1.0
121.02842	1.1
131.04918	2.4
133.02876	1.0
135.04431	5.7
137.05923	0.6
139.03882	0.5
145.02826	3.3
147.04395	3.4
149.02374	0.8
151.03835	1.5
153.01863	1.0
161.05963	0.7
163.03906	38.4
164.04301	0.7
173.02318	1.5
175.03917	2.0
177.01837	17.3
179.03397	2.3
191.03392	62.8
192.03705	1.6
195.02911	0.5
201.01814	1.5
203.03419	1.4
205.01311	16.5
207.02869	5.4
219.02885	100.0
220.03166	2.6
221.04486	1.0
229.01314	1.2
233.00787	0.7
237.03943	4.2
247.02388	28.9
248.02904	0.8
249.03940	1.6
260.05420	0.8
265.03403	4.3
275.01840	5.3
293.02914	54.1
293.15134	1.0
294.03333	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.268
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
51.08848	1.4
53.82033	1.7
55.05272	1.8
55.05508	23.1
57.07079	15.1
58.44376	1.4
65.03922	2.0
65.64137	1.9
67.05176	2.4
67.05500	30.7
67.49425	1.5
69.07063	45.2
71.04971	4.0
71.08611	5.5
71.31791	3.7
79.05490	26.4
81.03385	1.6
81.07051	100.0
82.07374	1.6
83.04986	2.2
83.08612	21.0
85.06528	8.0
85.10168	2.5
89.07930	1.5
91.05464	15.2
93.07036	56.4
95.04948	4.3
95.08602	83.3
96.08932	2.1
97.06523	3.1
97.10166	10.2
99.08081	4.7
105.07035	21.7
107.07865	3.3
107.08587	57.2
109.06488	3.2
109.10152	45.6
111.08065	5.5
111.11693	7.1
119.08562	14.4
121.10133	44.1
123.08026	3.4
123.11706	25.6
125.09600	2.4
133.10092	12.1
135.11673	27.4
137.13297	8.3
147.11665	15.5
149.13248	55.7
151.11191	1.8
151.14792	3.7
161.13226	9.4
163.14818	22.8
165.12764	4.2
165.16483	2.3
175.14857	4.4
177.16376	8.6
182.48596	1.5
189.16333	4.1
191.17998	4.4
202.90654	1.5
203.17950	4.5
217.19525	5.5
221.19226	1.5
235.20515	2.6
241.93773	1.6
247.24292	2.1
248.43419	1.6
273.25751	15.5
291.19794	2.2
291.26865	58.3
292.27142	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	293.0291
Annotation	Phyllanthusiin E
Peak:m/z	Relative Intensity
52.96264	0.7
53.00300	0.9
55.05506	1.4
56.96560	0.9
65.03927	1.6
65.46839	0.7
67.05492	1.6
68.33810	0.8
69.03414	1.6
69.07053	0.9
70.76548	1.8
70.76941	1.5
72.93792	0.7
73.53413	0.6
77.03963	0.7
79.05495	5.2
81.03408	1.9
81.07043	1.8
83.04958	1.0
85.02890	0.9
89.03909	2.2
90.94813	0.8
91.05476	4.1
93.03395	1.2
93.07014	1.0
95.04977	1.2
95.08598	1.8
95.96396	0.7
97.02891	1.5
105.07001	1.0
107.04981	6.0
107.08572	0.8
109.02875	2.6
109.06506	1.0
109.10144	0.9
109.10954	0.7
110.49426	0.9
111.04437	1.4
111.84795	0.8
117.03361	2.7
119.04930	1.4
119.08527	0.8
121.02808	1.2
127.03893	0.8
131.04887	1.3
135.04413	7.2
145.02826	2.8
147.04402	4.4
147.08029	0.9
151.03891	1.8
153.01768	1.0
157.06374	0.8
158.97369	1.4
161.07130	1.0
162.96924	0.9
163.03899	36.1
173.02361	1.9
175.03867	1.4
176.98457	1.0
177.01831	17.9
179.03391	2.4
191.03387	61.7
192.03796	1.0
193.04953	1.6
193.90750	0.7
201.01833	1.6
203.03387	3.0
205.01312	13.0
207.02902	4.3
219.02888	100.0
220.03221	1.7
223.11188	1.3
229.01219	1.5
231.02962	1.0
234.98964	3.5
237.03929	3.3
247.02374	38.4
249.03922	1.6
265.03482	5.3
275.01929	6.0
293.02911	61.6
293.15060	1.5
294.03403	1.1
313.25058	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.268
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03933	3.1
55.01855	2.3
55.05508	37.5
56.96544	3.1
57.03436	1.9
57.07070	10.8
65.03932	3.1
67.05497	39.5
69.07066	71.8
70.03144	5.7
70.03559	5.0
71.04967	2.1
71.08629	6.3
72.10011	1.8
72.95099	1.6
79.05482	22.8
81.03395	3.8
81.07051	93.0
82.07372	2.2
83.08613	20.4
85.06544	13.5
85.79889	1.8
91.05478	16.0
93.07040	80.3
95.04948	6.5
95.08602	79.5
96.08945	3.1
96.37092	2.1
97.06516	4.5
97.10155	9.8
98.97554	2.8
99.08080	6.3
105.07025	21.7
107.08590	95.9
108.08881	3.1
109.06503	7.3
109.10152	43.5
111.08058	5.9
111.11718	5.7
116.98621	2.4
117.07030	3.1
119.08572	26.0
121.10136	63.7
123.08031	2.3
123.11696	27.7
125.09582	3.1
128.19653	1.8
129.06987	2.3
131.08565	2.4
133.10139	16.6
135.08096	2.9
135.11685	34.0
137.09604	3.5
137.13245	9.2
139.11197	2.9
145.10095	3.1
147.04407	2.3
147.11671	14.1
149.13251	100.0
150.13612	2.5
151.14841	4.2
153.01831	7.5
159.11707	3.8
161.13257	12.7
163.14825	25.0
165.12790	3.1
167.62862	1.9
175.14836	5.5
177.16333	8.8
179.14319	2.5
183.52170	1.9
189.16414	4.4
191.18111	4.4
203.17957	4.7
215.10829	2.0
217.19502	2.2
218.37402	1.8
219.20955	1.8
221.18962	3.1
235.20462	2.1
273.25778	6.0
291.26785	54.8
292.27252	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	291.1953
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03942	1.9
55.05501	5.9
57.07055	3.2
59.04990	2.9
59.38298	1.4
61.31863	1.2
67.05503	7.0
69.03444	1.8
69.07060	5.5
70.83873	2.5
71.04978	2.0
79.05516	7.4
81.07066	12.7
83.08630	3.1
85.06550	3.1
91.05472	8.2
93.07024	14.3
95.04952	5.3
95.08605	16.0
97.06516	3.9
97.10174	1.5
104.84150	1.5
105.07035	10.2
107.04949	4.5
107.08595	10.8
108.05726	1.6
109.06501	5.4
109.10136	6.2
111.08086	24.3
119.08581	9.1
121.06487	2.0
121.10174	6.9
122.07331	3.3
123.08062	39.3
123.11706	3.2
129.07002	1.7
131.08583	4.0
133.06464	4.1
133.10144	7.3
135.08043	5.5
135.11739	4.6
137.09593	2.9
143.08635	1.7
143.37697	1.3
145.10095	8.7
147.08006	2.8
147.11681	5.9
149.09598	5.3
149.13210	2.3
151.07545	100.0
156.09393	2.0
157.10118	2.8
159.08023	2.2
159.11639	2.3
161.09604	4.1
163.11179	2.8
171.11667	3.6
173.13281	2.3
174.10356	1.4
175.11206	4.3
177.09117	2.0
178.62521	1.3
179.10699	5.5
185.13260	1.8
187.11136	1.8
189.12741	26.0
191.14281	2.7
192.11432	6.3
197.11749	10.9
207.13809	65.6
215.14384	3.1
217.12122	3.4
221.40529	1.3
233.15318	9.3
255.17432	2.5
265.26425	1.6
273.18472	4.6
273.25827	1.5
275.60046	1.3
291.19568	33.1
291.26837	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	291.2316
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03932	4.8
53.85577	1.4
54.97091	1.4
55.01834	1.5
55.05508	19.8
57.07076	2.8
63.28418	1.3
67.05501	42.2
69.03426	2.6
69.07061	20.6
70.07504	6.7
70.07928	2.5
73.06537	1.6
79.05487	79.2
80.99786	1.4
81.06579	3.3
81.07050	53.9
83.04986	3.4
83.08622	12.6
85.06532	3.5
91.05476	31.6
93.07041	100.0
95.04967	10.2
95.07995	2.1
95.08604	39.9
97.06525	3.6
97.10149	4.0
99.08072	2.6
105.07031	21.6
107.04943	2.4
107.08589	60.6
109.06514	5.6
109.10146	11.9
111.08030	2.0
117.07013	5.5
119.08570	16.1
121.06478	1.8
121.10135	47.8
123.08084	2.6
123.11676	3.4
125.09620	2.3
129.07007	2.0
131.08580	8.1
133.10117	15.9
135.08015	3.3
135.11685	57.3
137.09647	3.2
143.08540	4.1
145.10135	8.6
147.08026	2.3
147.11676	11.9
149.09624	4.4
149.13251	37.4
157.10101	2.5
157.57823	1.7
159.11671	3.9
161.13202	9.9
163.11166	5.4
163.14825	11.4
171.11668	4.2
175.11218	1.5
175.14822	5.4
177.12766	4.9
177.16463	2.0
185.13284	3.3
189.12666	2.1
207.13785	2.2
209.15413	1.5
217.19484	2.6
235.16972	2.0
241.19499	5.5
249.18433	2.4
259.20590	6.6
291.19598	5.4
291.23138	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03937	8.7
53.50979	2.1
55.01864	16.6
55.05266	3.9
55.05510	46.4
55.49776	2.5
56.47572	2.1
56.96542	2.4
57.03432	2.7
57.07077	13.9
59.05013	2.2
65.03926	3.5
67.05178	2.8
67.05505	45.6
69.03415	8.5
69.07061	33.2
70.06581	10.9
70.55225	2.0
71.04986	6.4
71.08632	4.6
72.08933	2.4
73.48367	2.1
79.05493	67.7
81.03412	10.1
81.07053	100.0
83.04978	11.5
83.08609	22.3
83.57822	2.4
85.06552	5.1
85.10191	3.0
88.07635	12.5
89.07941	3.8
91.05476	43.7
93.07045	49.1
95.04971	38.6
95.08049	3.8
95.08605	43.2
97.06506	9.3
97.10152	17.2
98.21507	5.7
99.08034	2.1
102.09155	8.1
103.09492	2.8
105.03375	2.6
105.07027	38.9
107.04961	16.0
107.08594	29.7
109.06501	11.4
109.10146	25.0
111.04387	2.7
111.08070	4.6
115.05463	4.6
116.06248	2.6
117.07026	21.9
119.04980	3.6
119.08583	49.8
121.06496	18.9
121.10145	24.2
123.08075	24.9
123.11707	8.0
125.09637	15.5
128.06229	4.3
129.07042	11.4
131.08582	20.3
133.06490	6.4
133.10150	11.5
135.08032	12.8
135.11679	14.3
137.09627	6.4
137.13297	4.3
143.08566	7.6
145.10135	19.6
147.08037	24.5
147.11690	11.8
148.50853	2.4
149.09619	11.6
149.13269	7.0
151.07556	2.6
151.11188	3.2
153.09088	4.5
157.06506	2.2
157.10127	12.1
159.08075	3.4
159.11729	7.5
161.09645	10.2
161.13290	4.7
163.11134	16.8
163.14804	3.1
165.09120	7.2
165.12724	2.9
171.11690	5.5
175.11214	6.8
175.17796	2.4
181.09981	2.6
185.13274	4.4
187.15065	2.2
189.11185	3.8
193.12268	3.2
195.11801	3.2
199.11134	2.6
223.13420	7.5
229.23532	30.0
231.17534	3.2
249.14896	10.0
255.17511	5.0
273.18478	36.8
273.25760	7.2
291.19580	97.9
291.23087	3.7
291.27121	80.3
292.19901	3.4
299.21912	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03925	1.1
53.06116	0.4
55.01867	2.3
55.05511	8.5
56.96559	0.5
57.03425	0.6
57.07067	0.6
65.03918	0.6
67.05182	0.4
67.05503	5.9
69.03420	1.4
69.07067	4.6
69.29728	1.8
69.30161	2.3
71.04988	0.9
73.06529	0.4
79.05071	0.5
79.05490	7.8
81.03399	1.1
81.07056	7.5
82.86057	0.4
83.04958	1.2
83.08613	4.2
85.06531	0.4
88.07613	0.4
91.05477	8.6
91.37813	0.4
93.07037	7.1
95.04964	4.8
95.08612	4.0
97.06506	0.8
97.10181	3.1
97.83796	0.4
103.05456	0.6
104.29887	0.4
105.03336	0.5
105.04508	0.5
105.07028	8.4
107.04956	3.7
107.08597	4.0
108.05741	0.6
109.06477	1.9
109.10134	1.7
111.08065	0.6
115.05455	0.9
117.07008	3.5
118.04195	0.4
119.04943	2.1
119.08576	6.5
121.06487	2.3
121.10153	2.9
123.08038	1.5
123.11673	0.7
125.09621	2.2
128.06244	0.8
129.06982	2.0
130.07735	0.7
131.08540	3.6
133.06482	4.2
133.10107	1.8
134.07254	1.2
135.08038	1.7
135.11731	0.7
137.09650	0.5
142.07735	0.5
143.08560	1.7
145.06471	1.0
145.10118	3.3
147.08040	5.1
147.11658	1.0
149.09592	1.5
151.11198	0.4
155.08586	0.4
157.10182	0.8
159.11693	1.1
161.09589	1.6
161.13284	0.5
162.10405	0.9
163.11188	1.4
165.09154	0.4
167.08701	0.5
171.11653	1.0
175.11217	1.3
181.10167	0.4
185.13277	0.5
188.92999	0.4
189.11192	0.6
189.12749	0.5
203.14285	0.7
218.32143	0.4
223.13297	1.4
249.14854	2.4
249.18568	1.3
262.15598	0.5
273.18521	4.4
273.21445	0.6
291.19528	100.0
292.19797	1.6
309.48953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03931	6.1
55.01872	18.6
55.05515	35.0
61.71758	3.2
67.05499	38.9
69.03419	4.9
69.07063	16.8
69.17886	3.2
69.31729	30.7
71.04980	3.6
79.05496	74.3
80.54907	3.4
81.03400	4.0
81.07056	100.0
83.04964	6.4
83.08624	15.9
90.28660	3.0
91.05479	50.8
93.07038	40.3
95.04967	38.0
95.08595	27.5
97.06560	4.8
97.10172	16.0
103.05447	3.1
105.07022	43.2
107.04946	21.7
107.08569	22.0
109.06523	14.6
109.10159	10.7
111.08027	4.3
115.05417	4.6
117.07018	41.1
119.08578	55.8
121.06494	28.1
121.10128	16.4
123.08066	13.1
125.09595	14.4
129.06963	16.4
131.08560	25.0
133.06508	7.6
133.10132	5.9
135.08070	15.5
143.08527	12.1
145.06468	3.6
145.10112	31.9
147.08047	39.0
147.11615	3.5
149.09622	16.3
151.07523	3.2
155.62238	2.8
157.06465	2.9
157.10095	12.0
159.08015	4.4
159.11702	11.0
161.09628	15.0
163.11153	6.3
171.11659	5.0
173.09644	4.3
175.11165	5.5
185.13278	7.1
187.10945	4.3
189.11259	7.5
195.11720	3.3
199.11261	3.5
213.12749	5.1
223.13246	5.6
227.18069	4.0
237.16374	3.7
249.14867	22.3
255.17587	5.8
273.18524	53.0
273.21335	6.1
280.80511	3.3
291.19543	95.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.47536	2.3
53.03952	18.4
55.01868	5.8
55.05501	11.2
55.78883	2.9
57.03429	3.0
67.05508	42.1
69.07066	27.1
69.41695	25.3
79.05492	46.2
79.13390	2.4
81.03417	43.5
81.07068	30.1
83.04961	7.1
91.05476	9.7
93.07055	23.8
95.04964	43.1
95.08604	100.0
105.07023	16.1
107.04993	2.9
107.08572	11.9
109.06522	6.1
109.10146	6.2
119.08590	5.3
121.10147	6.9
123.08059	81.2
123.11668	3.1
131.08635	4.2
133.10120	16.1
135.08128	2.9
135.11684	3.2
151.11188	22.3
156.57251	2.9
157.10077	2.6
215.37088	2.5
224.23079	2.7
239.56779	2.6
249.18570	8.4
273.18515	3.6
291.19589	15.3
291.22760	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	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03927	8.8
55.01874	16.2
55.05510	33.9
57.03429	3.7
67.05504	40.8
69.03417	3.4
69.07052	11.3
69.44538	18.7
69.44956	6.7
71.04990	4.9
72.92620	2.8
79.05492	71.3
81.03402	6.7
81.07055	100.0
83.04968	8.8
83.08606	13.7
91.05481	50.1
93.07037	41.9
93.71585	2.4
95.04969	33.0
95.08589	28.0
97.06512	4.2
97.10169	18.7
99.04451	4.0
103.05480	3.0
105.03400	3.9
105.07023	34.3
107.04940	19.5
107.08590	28.5
109.06541	13.3
109.10150	10.7
111.08091	4.0
115.05429	4.8
117.07012	34.6
119.04926	5.0
119.08574	65.4
121.06491	23.4
121.10116	16.7
123.08070	10.4
123.11724	3.3
125.09674	15.1
128.06223	3.3
129.06979	15.7
130.07820	3.1
131.08566	28.0
133.06474	11.7
133.10135	6.3
135.08098	14.4
135.11705	7.0
137.09549	3.2
142.07739	4.1
143.08574	10.6
145.06451	3.4
145.10136	33.2
147.08043	40.9
147.11742	3.6
149.09604	13.9
150.69640	2.6
153.09059	5.3
155.08609	3.1
157.10130	9.3
159.08070	3.2
159.11702	10.4
161.09578	17.3
163.11177	14.1
165.09096	3.1
171.11676	7.9
173.99452	2.7
175.11200	4.4
175.46944	2.8
185.13263	4.1
187.11209	3.3
189.11217	10.4
223.13297	7.6
227.17929	3.8
245.19160	4.2
249.14798	18.9
255.17467	8.0
256.41263	2.9
273.18439	49.6
291.19543	98.0
294.23352	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	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03950	5.8
55.01880	6.6
55.05509	12.8
57.03436	1.6
65.03946	2.5
67.05504	18.8
69.03432	2.3
69.07069	6.8
69.86684	6.0
71.04987	4.6
79.05495	42.2
81.03426	4.7
81.07058	100.0
83.04993	3.0
83.08618	6.1
85.06533	1.9
91.05479	22.8
93.07045	19.6
95.04970	12.4
95.08616	10.0
96.60271	0.9
97.06568	1.4
97.10153	5.4
98.21445	1.6
105.03396	1.0
105.04504	1.7
105.07037	14.2
107.04964	10.3
107.08589	12.0
109.06519	71.2
109.10170	3.3
111.08103	2.2
115.05471	3.0
116.06191	1.1
117.07016	13.1
119.04997	1.3
119.08578	17.5
121.06485	8.2
121.10127	6.7
123.08074	3.8
123.09222	0.9
124.43095	1.3
125.09637	4.6
127.47994	1.0
129.07047	5.1
130.07764	1.4
131.08575	7.1
133.06506	3.9
133.10123	4.0
135.08069	7.3
135.11771	2.0
137.09642	1.8
143.08569	4.5
145.06467	1.3
145.10129	11.0
147.08051	9.3
147.11697	2.4
149.09618	5.6
157.10187	3.5
159.11688	2.8
161.09592	9.0
163.11174	4.3
167.10814	1.3
169.10081	1.4
171.11678	2.6
173.09636	2.1
173.13155	1.1
175.11185	1.8
177.09012	1.2
185.13281	1.9
189.11259	2.4
189.12804	1.3
191.10583	1.1
213.12683	1.4
217.15775	1.1
223.13419	1.9
227.17981	1.2
245.19038	1.4
249.14836	4.8
255.17462	2.3
273.18512	12.8
291.19534	23.8
291.22937	1.7
291.27118	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03936	8.0
53.71738	1.9
55.01873	16.0
55.05509	39.8
56.05020	2.9
57.03430	3.2
57.07060	4.7
58.06577	2.8
62.77853	2.1
65.03941	2.1
67.05501	35.3
69.03429	5.4
69.07063	12.4
70.83777	6.1
71.05000	5.0
71.08628	3.0
74.06060	3.8
79.05491	86.6
81.03391	5.3
81.07051	100.0
81.07527	5.3
83.04976	5.5
83.08617	16.4
85.02860	1.9
85.06532	3.7
88.07639	17.0
89.07939	4.9
91.05474	51.6
93.07045	35.6
95.04964	28.7
95.08600	20.9
97.06496	4.2
97.10170	17.1
103.05445	2.6
104.62693	1.9
105.03368	3.9
105.07024	28.0
107.04942	18.5
107.08588	23.4
109.06521	32.8
109.10177	10.3
111.08068	2.8
115.05437	5.0
117.07004	40.4
119.04955	5.4
119.08570	66.4
121.06506	23.0
121.10125	11.4
122.08113	2.6
123.08083	9.4
125.09616	17.2
128.06248	3.2
129.07002	13.3
131.08554	25.1
133.06451	9.5
133.10089	6.2
135.08052	17.8
135.11668	3.5
137.09576	2.9
139.29382	2.0
143.08568	13.5
145.06477	3.8
145.10121	30.7
147.06932	4.0
147.08041	41.4
147.11626	3.4
148.41458	2.1
149.09651	11.0
157.10133	11.7
159.08070	4.5
159.11656	7.9
161.09628	11.4
163.11174	6.8
169.55885	2.2
171.11703	7.8
177.09058	2.7
185.13228	4.8
189.11232	7.4
205.12323	2.7
213.12703	4.5
223.13255	4.7
227.17940	3.9
229.18976	2.4
237.16524	2.6
243.25095	27.4
245.19000	6.0
247.86484	2.3
249.14861	22.9
255.17448	6.7
273.18515	50.0
291.19534	84.1
291.27179	63.8
292.19547	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	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.87458	4.3
53.03946	8.4
55.01871	18.2
55.05513	41.6
55.43964	3.7
57.03436	6.0
67.05504	43.6
69.03428	6.0
69.07059	19.1
71.19606	11.2
79.05494	69.2
81.03413	7.5
81.07060	98.0
83.04985	10.5
83.08604	12.2
90.82494	4.2
91.05482	44.5
93.07053	50.0
95.04975	32.1
95.08604	24.3
97.06517	5.3
97.10152	15.0
98.95828	4.7
105.07038	43.9
107.04995	20.2
107.08604	34.7
109.06540	23.6
109.10120	16.1
111.08111	6.2
117.06266	6.3
117.06996	26.6
119.04978	5.4
119.08587	47.6
121.06507	26.0
121.10112	22.4
123.08090	8.7
125.09632	14.4
128.06226	7.0
129.06998	12.6
131.08577	22.8
133.06483	5.9
133.10150	12.0
135.08076	20.0
135.11653	8.1
136.12184	4.6
143.08551	13.9
145.10124	21.6
147.08051	31.2
147.11681	10.4
149.09557	21.2
155.08531	5.1
155.70378	3.9
157.10101	10.4
159.08058	6.6
159.11694	16.2
161.09644	14.6
161.13280	6.5
163.11180	14.9
171.11739	5.1
175.11258	5.3
177.12846	6.1
185.13336	7.8
189.11269	6.0
189.12735	6.7
203.17979	8.8
213.16280	5.3
223.13316	13.4
245.19063	18.5
249.14690	6.4
255.17468	6.5
273.18484	43.5
291.19556	100.0
291.22858	7.4
306.54715	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.48993	2.2
53.03930	5.7
55.01865	5.5
55.05508	35.7
56.96568	3.5
57.03431	2.8
57.07067	9.2
59.04990	3.7
61.38589	2.3
67.05505	32.9
69.03420	5.2
69.07062	38.5
70.01510	3.7
70.01919	10.4
71.04981	8.0
71.08614	6.2
78.50032	2.3
79.05487	42.5
79.95315	2.8
80.53048	2.3
81.03428	5.8
81.07050	97.6
83.04977	3.8
83.08608	28.4
85.06538	10.4
91.05475	30.5
93.07040	57.3
95.04967	23.1
95.07983	4.5
95.08597	83.3
97.00988	2.2
97.06528	8.4
97.10168	10.2
98.97578	2.8
99.08091	5.4
105.07018	34.2
107.04947	17.9
107.08580	55.9
109.06531	15.9
109.10141	40.0
111.08072	45.0
111.11715	3.0
111.86900	2.5
116.59521	2.4
116.98538	2.8
117.07004	11.5
119.08570	43.4
121.06490	12.1
121.10133	37.2
122.07271	3.6
123.08055	36.5
123.08867	4.5
123.11674	15.0
125.09638	9.9
129.06990	5.0
131.08549	14.3
133.06497	7.2
133.10132	19.8
135.08025	9.7
135.11682	16.6
137.09618	7.7
137.13260	5.7
143.08569	7.1
145.10143	17.0
147.08080	12.5
147.11646	17.0
149.09596	8.6
149.13261	36.0
151.07535	100.0
151.11136	2.9
156.09335	3.8
157.10095	6.5
159.07993	3.1
159.11656	3.7
161.09686	7.0
161.13263	9.0
163.11143	5.9
163.14795	13.9
165.12807	5.4
171.11678	6.7
173.09598	3.4
173.13258	9.1
174.10423	3.2
175.11237	6.8
175.14905	3.7
177.09129	4.1
177.16345	5.5
179.10637	5.4
181.12173	4.3
189.12743	24.2
189.16423	3.4
191.14354	13.8
191.17966	4.7
192.11404	5.4
195.11583	3.4
197.11691	16.0
197.13301	3.4
207.13789	60.1
213.16310	3.8
215.14333	4.7
217.19423	3.2
227.17877	2.9
229.23672	4.0
233.15350	27.0
249.14903	5.1
255.17436	5.0
273.18420	18.0
273.25726	7.2
291.19547	53.8
291.23044	5.7
291.26651	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1225
Annotation	Wentilactone B
Peak:m/z	Relative Intensity
53.03943	4.0
53.60634	2.3
55.01871	8.7
55.05510	5.1
56.96557	3.8
57.03432	4.2
59.04991	11.3
67.05504	8.0
67.67188	2.8
68.99760	3.0
69.03439	12.5
69.07050	4.8
69.89521	2.7
70.88702	5.0
71.01330	2.9
71.05000	3.3
79.05495	9.9
81.03417	52.2
81.07065	7.3
83.04984	5.1
83.08614	4.6
83.32095	2.5
85.02907	41.7
91.05476	14.3
91.23281	2.5
93.07052	5.9
93.27776	2.4
94.61262	2.6
95.01321	5.7
95.04984	10.5
95.08581	6.5
97.02887	10.3
97.06550	6.0
98.97550	3.6
99.04459	3.2
103.05445	14.1
105.07005	14.2
107.04958	4.6
109.02891	16.2
109.06506	6.7
111.04433	42.1
114.37750	2.9
115.05442	28.3
116.06248	3.3
116.98632	2.9
117.06998	19.9
119.04958	7.5
119.08594	9.9
121.06533	10.6
121.10160	3.1
123.04448	3.8
123.08060	4.4
128.06226	16.3
129.05478	7.9
129.06996	26.4
131.04903	21.0
131.08546	6.3
133.06506	11.0
135.08052	5.2
136.05203	3.8
137.05991	18.9
137.09618	3.2
141.06973	18.9
142.07779	4.0
143.04889	10.5
143.08563	10.6
144.05701	5.7
145.06461	28.2
145.10106	3.9
146.07234	4.8
147.04402	16.8
147.08043	5.1
149.05992	20.3
151.07536	89.1
152.06230	9.3
153.01843	7.7
153.06969	6.6
155.04866	4.8
155.08498	4.0
157.06479	20.8
158.07304	7.3
159.08055	9.1
160.05212	18.2
161.05960	21.5
162.06813	5.7
163.03951	3.4
163.07536	20.1
165.05632	6.6
165.07019	14.2
165.09093	6.8
166.07814	3.3
167.07170	6.3
167.08620	18.2
169.06482	19.6
169.10214	3.1
170.07216	4.1
171.04408	3.8
171.08070	19.3
172.05147	3.6
173.05945	8.1
173.09618	5.8
174.06726	13.4
175.06023	6.4
175.07535	100.0
177.05554	17.0
177.06857	3.8
177.09108	29.1
179.10751	3.6
181.06433	7.6
183.08058	8.2
184.05276	4.7
184.08910	3.2
185.05998	14.3
185.09636	10.8
186.06729	7.6
187.07524	18.0
188.08266	5.9
189.05408	3.9
189.09116	21.7
191.06998	15.1
191.10698	6.1
193.08621	30.6
195.08078	21.6
195.09952	5.0
197.05992	11.2
198.06819	7.5
199.04065	3.2
199.07516	10.2
200.08423	2.9
201.05435	10.0
201.09079	24.9
202.06119	6.0
202.07840	7.1
203.07004	15.0
203.08653	7.5
203.10710	12.9
205.04941	3.6
205.08603	6.7
209.07967	3.9
211.07544	7.8
212.08374	4.1
213.05499	8.1
213.09062	15.7
214.06297	4.7
215.07100	10.2
217.08540	23.5
217.12126	4.8
219.10208	5.8
220.08884	2.9
223.07547	12.9
227.07054	12.0
227.10667	11.5
228.10246	3.9
229.08563	29.0
231.08038	10.0
231.10217	14.6
232.07213	3.3
241.08583	13.8
243.10327	4.5
245.08078	29.2
245.11800	12.6
247.09682	11.9
248.08319	5.8
255.10155	15.2
258.97440	3.0
259.07346	3.7
261.11206	3.6
263.00775	6.3
263.10788	3.9
267.93405	3.2
273.11206	37.6
291.01483	3.6
291.12473	78.3
291.19547	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.5
55.05508	0.9
55.83510	0.5
56.96551	2.3
57.03420	0.9
69.03415	1.3
70.06594	0.8
71.09009	1.2
73.02880	0.7
81.03408	4.0
83.04975	1.0
85.02899	3.6
97.02867	1.5
98.97623	0.7
100.04773	0.6
103.02443	0.7
111.04449	0.9
113.10926	0.6
114.71606	0.5
116.98624	0.7
119.01915	1.0
121.01656	0.6
121.03490	0.6
127.03966	0.6
131.01917	1.1
133.01717	0.6
133.03442	0.8
133.14679	0.6
134.99640	0.5
137.02942	0.8
139.02739	0.5
145.03458	0.7
146.99672	0.8
147.01331	0.5
147.05052	0.9
148.57715	0.5
157.03395	0.9
161.01259	1.5
161.02937	0.9
161.52982	0.6
163.02759	0.6
169.01648	0.5
171.01460	0.5
171.05022	0.6
173.02878	0.8
189.00658	1.2
189.06076	0.9
216.99753	0.6
221.05089	0.9
229.95413	0.5
249.02756	0.7
252.15594	0.5
276.02551	0.8
291.10477	100.0
292.10895	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
56.96556	2.4
57.07075	1.2
69.03421	2.1
71.17872	2.1
81.03391	3.8
85.02897	3.4
97.02891	1.7
98.97604	1.2
99.04444	1.0
111.05560	1.2
116.98668	1.2
119.01929	1.8
121.01649	1.8
121.03524	1.1
126.52065	0.8
127.03963	1.2
131.01906	2.3
134.99600	0.9
136.34203	0.8
143.00154	1.1
161.01207	1.2
163.02687	0.9
189.00647	2.1
194.56236	0.9
217.00237	1.1
276.02542	1.2
291.10480	100.0
292.10706	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.01859	0.9
55.05503	1.5
56.05044	0.4
56.96562	12.6
57.03439	1.9
57.07019	0.3
58.06593	0.7
58.99866	0.4
60.95840	0.5
61.02938	2.2
67.05495	1.2
68.05019	0.8
69.03079	0.5
69.03427	5.3
69.07038	0.4
70.06583	1.1
71.01354	0.4
71.04996	1.8
71.56841	0.5
72.04534	0.4
72.08148	0.7
73.02903	2.0
74.97613	0.5
79.05476	0.6
81.03413	11.2
82.06578	1.4
83.04986	3.8
83.06916	0.8
84.08138	1.1
84.96011	1.5
85.02901	11.9
85.06533	0.6
86.06060	0.7
87.04499	0.7
91.03944	0.6
91.05492	0.5
95.04934	0.8
95.08602	0.5
97.02892	5.9
98.97580	5.0
99.04445	1.8
100.03934	0.4
101.00861	1.1
101.05982	0.5
101.22413	0.3
102.97034	0.4
103.02449	2.0
105.00381	0.6
107.04991	0.5
109.02866	1.8
110.06054	0.5
110.97600	0.8
111.04453	2.5
111.05547	3.7
112.07572	0.5
112.99142	0.5
113.00867	0.7
113.05992	0.6
114.05547	0.4
115.02422	0.8
115.03934	0.6
116.07084	0.6
116.98611	5.0
117.03967	0.8
119.00185	0.4
119.01916	7.7
121.01639	1.9
121.03509	2.2
124.07623	0.3
124.99156	0.4
126.60794	0.3
127.02406	0.4
127.03925	2.9
128.07072	1.0
128.98587	2.0
129.03983	1.1
129.05441	1.1
129.06589	9.6
129.07426	1.0
130.08627	4.9
131.00186	1.3
131.01888	7.3
133.01735	0.9
133.03473	4.7
134.99652	3.5
135.03215	0.9
135.05022	1.2
136.06210	0.8
137.02919	2.4
139.02684	0.8
139.03963	0.4
140.98572	0.4
142.08607	0.4
143.00139	2.3
143.01855	1.7
145.01649	0.6
145.03474	3.6
145.04865	2.2
146.99667	2.8
147.03230	0.7
147.05022	8.5
148.05043	0.5
149.01205	1.2
149.02962	2.1
149.06602	0.7
151.02792	0.5
151.04485	1.1
153.00674	1.0
153.01842	0.5
153.05750	1.1
155.01871	1.8
156.02628	0.7
157.03406	2.3
158.99681	1.1
159.03343	0.7
159.05017	1.9
161.01242	6.7
161.02975	7.2
161.06682	0.4
162.03255	0.3
162.99091	0.6
163.02800	1.7
163.04524	1.3
165.00728	1.2
165.04178	0.6
165.04633	0.6
165.06090	4.9
165.07330	0.6
167.02058	0.4
169.01935	0.4
170.05176	0.6
170.99638	1.7
171.05043	2.7
172.36349	0.4
173.02975	5.0
173.06609	0.8
174.99146	0.4
175.02866	1.0
175.04535	2.5
177.00731	2.1
177.05998	0.6
178.04939	0.5
179.02301	1.3
179.03966	0.4
180.04568	0.6
180.54774	0.5
181.03755	0.5
183.05132	1.9
184.02922	0.4
184.04601	0.5
185.01237	1.0
185.03006	1.5
185.06653	1.5
186.99268	0.5
187.02827	1.1
187.04558	1.1
189.00739	4.1
189.02370	0.7
189.04395	0.6
189.06065	8.2
190.98764	0.4
191.02319	0.6
191.04025	1.2
191.07666	0.4
193.00191	0.5
193.16707	0.4
195.01791	0.4
195.05148	0.4
197.02963	0.5
197.06532	0.4
199.04466	0.7
201.06078	9.6
203.02278	1.4
203.04079	1.5
203.07570	2.0
205.00250	1.0
205.02020	0.4
205.03819	0.6
207.01755	0.9
207.05266	0.8
208.99597	0.4
210.04544	0.5
211.04602	0.8
213.00778	0.9
213.06104	1.6
215.07748	0.7
217.00122	0.4
217.05598	0.5
219.01776	2.0
219.07147	0.8
221.03302	0.6
221.05096	3.8
223.01323	1.0
225.06046	2.1
227.11127	0.4
231.01804	1.1
231.07170	2.0
233.08620	0.7
233.99342	0.5
237.02797	1.7
243.07152	0.7
245.05154	0.6
249.02855	1.8
252.00461	0.5
255.10699	0.6
257.05121	0.4
259.06735	1.2
261.08273	1.1
267.03964	1.3
273.02817	0.4
273.08472	0.7
273.11655	1.5
291.10480	100.0
292.10965	1.6
302.07315	0.6
303.01389	1.5
304.01788	0.4
305.10703	0.6
309.04938	1.8
309.10498	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	100.0
70.25414	3.3
71.84583	0.8
71.95268	1.6
74.97595	1.3
84.96014	3.3
86.64310	0.8
98.97578	33.7
110.97558	0.9
112.99128	1.3
115.00645	1.0
116.98611	31.8
123.01214	1.1
124.99109	15.3
127.00687	4.5
128.98666	1.1
131.00153	3.4
134.99648	16.9
139.00699	1.7
141.02232	3.2
143.00154	51.0
145.01686	4.1
149.01208	3.3
151.00681	1.3
152.98584	4.8
153.00699	3.0
157.01756	2.9
158.01324	1.0
158.99638	1.3
159.03296	5.0
161.01212	52.4
163.02704	0.9
167.00191	1.8
169.01712	7.2
170.99625	19.9
175.02901	1.2
177.04349	2.0
179.02312	7.7
182.99710	0.9
185.01219	22.8
185.02908	1.5
186.99187	2.9
187.02753	7.5
189.00699	45.4
194.99713	1.5
201.00674	1.6
203.02269	23.8
203.04099	1.7
205.00206	6.3
205.03891	1.2
207.01765	11.5
211.02876	1.0
212.02271	2.4
213.00673	13.1
213.02478	1.4
221.03317	5.4
223.01112	1.6
226.03592	2.6
231.01744	30.1
235.03877	1.5
245.03317	2.3
247.01305	3.6
249.02812	37.5
254.03381	0.9
263.04556	2.3
265.02283	1.5
267.03860	20.6
267.06613	1.5
272.04529	1.5
273.02722	6.9
285.04953	13.6
291.03845	24.3
303.05862	1.5
309.04892	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	32.4
57.03396	3.0
69.03415	5.2
71.56089	3.0
71.56457	5.6
73.02909	3.4
81.03418	3.9
84.96022	3.1
85.02907	9.9
97.61237	3.3
98.97573	13.9
103.02436	3.9
111.05612	3.5
116.98604	16.8
119.01890	7.7
121.03461	3.2
124.74820	3.2
127.03923	12.0
129.06583	7.3
131.01912	6.8
131.38414	4.1
134.99644	8.3
143.00143	14.4
146.99670	4.8
156.11931	2.9
161.01176	20.1
170.99709	5.6
173.02980	6.9
177.00735	4.4
185.01208	5.7
187.02759	4.8
189.00684	13.1
189.06044	3.6
200.04391	5.4
200.54594	7.4
203.02267	8.3
207.01683	4.6
213.00719	4.8
219.01775	6.1
231.01778	6.1
249.02872	9.8
252.40315	3.1
267.03912	7.3
291.03961	6.6
291.10553	100.0
291.13525	5.3
309.04950	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	289.2525
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03919	2.3
53.20339	2.1
55.01862	3.5
55.05263	2.4
55.05508	29.2
57.03418	3.3
57.07078	12.8
58.37291	1.7
59.05008	2.3
65.03923	4.3
67.05500	30.4
67.27921	1.6
69.03405	3.8
69.07063	53.9
69.76829	4.6
69.77239	11.0
71.04969	4.2
78.49396	2.1
79.05479	23.7
80.15009	1.7
81.03415	2.8
81.07052	89.6
83.04951	4.6
83.08609	17.4
85.06530	14.8
89.92019	2.1
91.05475	26.7
93.06479	3.1
93.07038	51.2
95.04957	9.9
95.08602	61.1
97.06506	3.8
97.10132	6.5
98.21523	2.2
98.97569	2.2
99.04402	2.0
99.08078	6.0
103.05442	4.8
105.07023	57.4
107.04994	1.8
107.07867	2.9
107.08588	48.6
108.76260	1.8
109.02916	2.2
109.06496	7.0
109.10139	37.4
111.08050	5.6
111.11687	4.1
113.09631	2.1
116.98604	4.1
117.07005	8.2
119.08570	52.5
121.06473	5.9
121.10131	33.7
123.08038	4.0
123.11707	17.0
125.09602	6.3
129.07002	3.2
131.04900	5.2
131.08554	18.9
133.10127	33.7
135.07990	3.3
135.11694	22.0
137.09654	4.4
137.13219	5.6
139.11174	4.9
141.65968	2.1
143.08531	4.1
145.10109	21.3
147.10533	2.1
147.11673	39.0
149.09642	3.3
149.13235	19.9
151.11179	4.4
153.01830	2.8
153.12776	2.0
157.10130	2.5
159.04387	3.9
159.11676	29.6
161.13237	42.7
163.11153	3.9
163.14812	11.7
171.11774	3.4
173.13261	16.1
175.14812	18.3
177.05421	4.6
177.12750	4.6
177.16492	4.4
185.13203	2.1
187.03983	4.4
187.14822	11.9
189.16345	11.6
191.14320	3.0
191.17949	2.4
191.69296	2.3
201.16359	7.2
203.17946	2.9
205.04881	2.3
205.15668	2.3
215.03448	3.3
215.17937	11.3
219.17421	3.7
229.19441	2.5
231.21007	2.3
233.18961	5.5
243.02788	2.3
261.03940	6.6
271.24182	13.7
285.61465	1.9
289.03323	24.7
289.06137	16.1
289.10666	3.7
289.18204	4.3
289.21637	5.0
289.25204	100.0
290.25656	2.7
298.85529	2.2
307.05566	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2524
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
50.23712	4.9
55.05508	19.0
56.96550	8.8
57.07071	10.6
67.05504	44.3
67.10225	4.5
69.07069	42.2
71.08598	6.5
71.57584	5.6
77.21490	5.7
79.05489	35.6
81.07056	96.3
83.08624	16.3
85.06528	5.9
88.07586	5.1
91.05473	40.1
93.07043	77.7
95.04947	6.0
95.08603	88.4
95.86608	4.8
97.06541	10.7
97.10194	6.5
99.08105	6.3
101.88064	5.2
105.07026	56.5
107.04979	6.5
107.08594	84.4
109.10158	62.2
111.08099	7.9
119.08577	48.5
121.10146	60.5
123.08092	4.1
123.11709	41.0
125.09640	6.8
127.03925	6.0
131.08572	20.8
133.10156	33.8
134.92784	4.5
135.11676	46.0
137.09599	12.1
137.13231	24.5
143.08580	6.6
145.10129	22.5
147.11719	26.4
149.09496	5.4
149.13290	41.9
151.11203	12.6
151.14781	9.5
157.10083	5.8
159.11684	28.5
161.13269	24.8
163.11172	4.5
163.14822	37.3
165.12663	7.9
168.52115	4.8
171.11678	4.8
173.09708	5.3
173.13225	24.0
175.14873	20.7
177.16359	9.1
179.14372	9.5
185.13225	5.3
187.14789	18.9
189.16429	24.3
193.15958	4.6
201.16391	10.6
202.42856	4.9
203.17900	7.3
205.15843	8.1
215.17966	12.4
219.17336	5.5
229.19490	10.5
243.17400	6.3
243.21025	7.5
245.22772	16.5
247.20609	7.1
271.16931	6.7
271.20413	6.1
271.24246	21.5
289.06171	6.9
289.18256	12.4
289.21616	27.8
289.25262	100.0
289.29056	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	289.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75822	1.4
56.96562	1.7
71.56700	2.6
81.07040	2.1
111.04463	2.0
119.66146	1.3
123.04388	4.2
123.35131	1.5
127.03902	5.1
135.04390	4.9
139.03848	1.4
153.01828	4.4
155.08611	1.7
163.03928	4.1
202.98416	2.0
233.00398	1.5
243.06531	1.6
289.12573	100.0
290.12762	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2523
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
52.63821	1.4
55.05515	10.7
56.96558	2.2
57.07063	5.4
59.05003	1.5
64.11340	1.5
67.05505	26.9
69.07070	24.4
70.03091	7.3
70.06571	3.6
79.05489	13.1
81.07053	58.0
83.08626	6.9
88.07635	11.2
89.07964	3.6
91.05471	13.5
93.07039	41.7
95.04990	3.5
95.08608	49.5
97.06543	2.5
97.10154	5.6
98.21409	2.1
105.07029	18.3
106.08671	14.4
107.08571	50.7
107.43891	1.4
109.06514	1.4
109.09458	2.4
109.10151	26.6
111.08080	1.9
111.11663	2.7
111.34606	1.6
117.07003	3.4
119.08591	20.3
121.10148	28.6
123.08097	2.3
123.11690	26.6
125.09634	5.3
127.03906	3.3
131.08580	6.8
133.10138	14.4
135.08096	1.9
135.11711	16.4
137.13243	6.3
139.11188	6.1
143.08621	1.8
145.10121	8.0
145.80870	1.8
147.11673	14.2
149.02277	2.4
149.13252	44.3
149.14375	3.3
151.11159	3.8
151.14790	2.0
157.10100	2.1
159.11670	8.7
161.13229	9.9
163.14818	100.0
165.12798	3.6
173.13251	4.8
175.14838	12.2
177.16396	2.8
179.14296	3.9
187.14854	3.8
189.16411	5.2
191.14432	3.2
193.15895	2.7
201.16405	3.7
203.17986	2.3
215.17911	5.4
219.17397	2.6
228.20450	5.5
229.19534	3.6
231.21077	2.5
233.19183	2.1
243.21057	2.8
246.11963	1.6
271.17160	2.9
271.20996	3.4
271.24188	22.7
289.06296	2.6
289.14835	2.0
289.18027	6.1
289.21628	8.3
289.25272	49.1
289.29108	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2524
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
55.05508	11.1
56.17413	2.0
57.07060	4.2
63.58048	2.0
67.05510	33.4
69.07062	28.3
70.03837	9.2
71.04993	2.0
77.03889	2.3
79.05494	19.2
81.07054	65.7
83.08594	8.5
91.05485	12.5
93.07040	41.8
95.04971	4.0
95.08607	52.2
95.64037	1.8
95.64662	2.0
96.23471	2.0
97.10163	5.0
99.54092	2.1
105.07022	23.6
107.08589	70.2
109.06546	2.6
109.10149	32.5
111.11715	3.3
117.07018	2.5
119.08582	15.4
121.10148	30.9
123.11703	25.8
125.09644	6.0
125.31985	1.8
131.08568	6.5
133.10133	13.8
135.11703	19.1
137.13232	5.7
139.11165	5.5
145.10129	6.4
147.11668	11.5
149.13271	43.6
151.11189	3.0
159.11685	5.5
161.13252	11.2
163.14819	100.0
164.15154	2.6
165.12759	4.6
173.13261	3.9
175.14798	12.6
177.16353	3.7
179.14389	2.8
184.76750	1.9
189.16397	7.1
193.15959	2.0
194.47113	2.2
201.16374	4.1
206.52052	1.8
215.17946	3.9
229.19453	2.9
231.21092	5.6
233.18765	2.7
271.24289	16.6
277.30640	2.1
289.06125	3.0
289.18051	2.1
289.22061	3.8
289.25256	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0916
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03934	1.0
57.03432	0.7
61.02901	0.8
63.34078	0.6
68.37682	0.6
69.03423	1.2
69.99177	3.3
76.73042	0.5
78.91947	0.5
81.03370	0.6
83.69611	0.5
85.02900	4.4
97.02874	1.4
109.02890	0.7
114.35963	0.6
125.77194	0.6
127.03918	100.0
128.04228	1.0
145.04959	0.9
191.75717	0.6
265.21518	0.6
312.02969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2369
Annotation	9-cis-Retinol
Peak:m/z	Relative Intensity
53.03948	0.9
53.06178	0.5
55.01857	0.7
55.05513	3.0
57.07065	1.1
59.90415	0.5
63.00024	0.5
64.23130	0.5
65.03934	1.1
67.05507	3.8
68.99783	3.4
69.03419	1.3
69.07059	4.3
71.04987	1.1
71.57995	0.6
79.05493	5.1
81.03419	0.7
81.07055	11.2
83.04976	1.3
83.08617	1.6
85.06544	1.4
91.05054	0.5
91.05496	5.0
93.07038	8.8
95.04963	1.4
95.08609	10.7
97.06513	1.4
97.10149	0.6
101.72230	0.5
103.05434	1.1
105.03393	0.8
105.07026	8.2
107.04926	1.5
107.08593	8.0
107.32265	0.5
109.02901	1.0
109.06553	0.9
109.10146	6.2
111.00784	2.3
111.04443	1.4
111.08085	1.5
113.09608	0.6
117.07015	2.4
119.08572	9.1
119.17558	0.5
121.02869	7.9
121.03775	0.9
121.06490	1.2
121.10127	5.9
123.08089	0.7
123.11687	2.1
125.09628	0.8
128.06236	1.0
129.06996	1.7
131.08553	4.5
133.02835	0.9
133.10120	6.4
134.10442	0.5
135.08046	0.7
135.11694	3.7
137.02336	2.5
137.09608	0.8
137.13231	0.8
142.07765	1.3
143.08571	3.6
145.06506	0.7
145.10124	6.6
147.04387	1.2
147.11684	4.8
149.09615	0.7
149.13228	2.3
151.11169	1.1
153.01823	12.8
156.09460	0.5
157.06503	1.7
157.10129	5.5
159.11700	5.4
161.05992	1.2
161.13264	3.2
163.14824	1.4
165.01868	3.3
165.09120	0.7
171.04355	0.9
171.11665	3.3
173.09578	0.6
173.13258	5.1
175.14830	2.2
177.12666	0.5
179.14336	0.6
183.02914	1.8
185.05922	1.5
185.13264	4.0
187.14812	3.3
189.16402	1.7
191.14310	0.6
199.14771	2.4
201.16457	3.7
203.14294	0.6
208.96451	0.6
212.04733	0.7
213.05455	3.7
213.16402	2.7
215.17978	1.3
217.15805	0.9
223.04059	0.8
227.06934	1.6
227.10556	0.6
227.17932	2.0
229.05032	0.6
229.15933	0.5
229.19543	2.8
231.06511	1.5
231.17415	0.9
241.04916	1.2
241.19525	1.4
243.21117	1.8
258.05228	3.1
259.05746	0.8
259.23935	0.6
269.19351	0.7
269.22586	6.7
287.05490	100.0
287.20175	2.2
287.23636	17.5
288.05817	7.5
288.09827	2.5
288.23941	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0917
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03936	0.8
55.01858	0.9
56.96545	1.1
57.03424	0.8
57.54156	0.6
61.02917	1.0
69.03435	2.7
71.31052	0.8
73.02910	1.3
81.03436	1.2
81.04507	0.6
85.02897	6.6
91.03970	0.6
95.04982	0.6
97.02906	2.8
97.58084	0.6
98.97579	1.1
101.00868	0.7
108.92073	0.5
109.02880	1.7
110.97620	0.7
112.87827	0.7
116.98622	0.8
119.01912	2.5
119.73981	0.7
127.03912	100.0
128.04250	1.8
131.01852	0.7
137.02940	1.0
139.03844	0.8
143.01909	0.6
145.03372	0.8
146.02309	0.9
150.35301	0.6
161.02901	1.7
191.03886	1.2
200.04475	1.7
289.08832	2.3
289.12122	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2369
Annotation	9-cis-Retinol
Peak:m/z	Relative Intensity
53.03934	1.1
55.05507	4.7
57.07063	1.5
63.00026	1.2
65.03940	1.0
67.05505	7.8
68.35320	0.6
68.99781	2.4
69.07061	5.4
71.04988	0.9
71.50872	0.6
71.57993	0.8
79.05489	6.7
81.03404	0.8
81.07059	16.5
83.04978	1.3
83.08606	2.2
85.06539	1.0
85.76566	0.5
91.05484	4.9
93.07037	10.2
95.04959	2.0
95.08610	13.0
96.48049	0.6
97.06519	1.3
97.10178	1.2
98.98457	1.6
103.05454	1.3
105.03360	0.7
105.06382	1.0
105.07028	10.6
105.63477	0.6
107.04949	1.6
107.08588	9.7
109.02891	0.9
109.06481	1.2
109.10163	7.3
109.97917	0.7
111.00791	1.1
111.08071	1.2
111.11669	0.6
113.05917	0.8
117.07056	3.1
119.08574	9.2
121.02865	6.4
121.06484	1.9
121.10146	5.7
123.08066	1.0
123.11690	6.0
125.09588	0.7
127.03903	0.7
128.06215	1.8
129.07068	3.1
131.08559	6.7
133.10121	8.8
134.99594	0.7
135.08029	0.9
135.11678	5.2
136.07535	0.8
137.02309	4.0
137.05930	0.6
137.09596	0.8
137.13306	0.7
143.08569	3.8
145.06448	0.8
145.10121	7.5
147.04425	1.9
147.11655	7.7
149.09615	1.4
149.13261	4.6
151.11197	0.9
153.01813	11.6
155.08580	0.9
156.09346	1.0
157.06471	1.8
157.10114	4.3
159.11690	6.7
161.05952	0.7
161.13248	4.3
163.11189	0.9
163.14809	3.0
165.01843	2.2
165.12750	1.4
171.07983	0.8
171.11658	3.5
173.13268	5.6
175.04062	0.7
175.11261	0.7
175.14796	2.7
177.12680	0.7
177.16397	0.9
183.02925	1.5
185.06046	2.1
185.13225	2.8
187.14830	3.0
189.12752	0.8
189.16438	1.1
190.95375	0.9
191.14291	1.4
195.08084	0.7
199.14764	3.9
201.16389	3.1
203.14258	1.7
205.15941	0.8
208.96443	1.1
213.05476	4.2
213.16306	3.4
215.17903	1.0
227.07127	1.1
227.17952	2.8
229.19469	1.9
231.06436	2.1
231.17430	1.4
241.04951	2.4
241.19586	1.1
243.21022	1.3
258.05219	1.8
259.05869	1.1
269.12845	2.2
269.22641	10.3
287.05496	100.0
287.13828	2.6
287.20117	2.4
287.23651	25.8
288.05798	8.3
288.09879	2.1
288.23843	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1639
Annotation	Methallenestril
Peak:m/z	Relative Intensity
50.32026	4.4
52.55474	5.1
53.03946	7.7
55.01859	14.1
55.05505	20.5
58.27597	4.6
59.73454	4.3
67.05487	9.3
69.07037	5.3
69.89943	28.9
79.05482	20.8
81.07047	12.7
83.04990	7.3
91.05490	20.4
93.07033	22.9
95.04969	12.9
103.05457	13.9
105.07035	17.7
107.04965	34.7
107.08593	7.4
111.04430	34.0
111.65389	5.1
115.05444	7.2
117.07007	20.2
119.08592	14.1
121.06499	51.0
128.06223	10.2
129.07031	38.0
131.08580	18.1
133.06473	9.6
133.10164	5.7
136.84485	4.6
141.06975	13.7
142.07806	15.1
143.08601	39.0
144.05690	4.8
145.06471	29.3
145.10159	11.4
147.07965	5.8
153.07001	6.3
155.08533	19.2
157.06508	28.9
157.10117	27.4
159.08070	21.1
159.11731	8.4
161.09599	14.1
165.07005	7.5
166.07692	5.7
167.08553	20.6
169.10149	11.7
170.07285	7.2
171.08060	26.7
171.11682	17.9
173.09636	17.3
175.11159	8.3
177.12711	12.5
179.08545	8.4
181.10123	20.3
183.08063	14.3
183.11732	12.1
184.08871	5.8
185.09616	47.1
185.13179	6.6
187.11134	13.7
189.09160	9.1
195.11650	11.6
199.11197	30.4
199.14835	18.0
201.12689	5.8
203.10626	35.5
209.09682	13.0
213.09084	13.8
213.12790	9.8
213.16382	7.8
223.14775	11.7
225.12787	11.7
227.10651	19.4
227.14252	26.7
231.10158	10.2
241.15848	64.7
245.11761	13.6
251.14258	17.9
259.16895	6.6
269.15405	64.3
270.15775	5.1
287.05453	20.6
287.16425	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1277
Annotation	3'-Hydroxy-3,4,5'-trimethoxystilbene
Peak:m/z	Relative Intensity
53.03930	1.7
55.01879	2.0
65.03949	1.1
67.05492	2.2
69.03407	1.8
69.34588	12.1
71.04953	1.3
73.24813	1.3
79.05505	6.2
81.03439	1.3
81.07050	4.0
83.04955	1.6
85.02878	2.4
91.05479	10.7
94.04166	2.3
94.33245	1.1
95.04948	5.4
97.06541	1.2
102.04666	1.3
103.05451	11.5
105.07050	7.4
107.04953	4.4
109.06538	7.4
111.04440	4.8
115.05452	3.2
117.07056	1.7
119.04918	2.3
121.02869	2.4
121.06494	20.6
122.03635	3.6
123.04450	2.4
123.08015	2.0
125.02330	1.3
125.05962	1.2
129.07030	1.7
131.04921	9.7
133.02859	1.8
133.06436	2.1
134.03592	2.2
135.04414	2.8
135.08040	24.4
135.09004	2.3
136.05182	1.8
136.07564	1.6
137.02325	1.4
137.05969	40.6
137.87479	1.1
139.05457	1.3
141.07039	2.9
143.04887	2.8
143.08586	2.0
145.06477	3.9
147.04431	5.6
148.05182	2.9
149.05972	25.7
151.07533	22.7
152.06204	27.7
153.01804	6.9
153.06927	4.1
153.93889	1.1
155.04979	1.1
155.08519	2.1
156.68573	1.4
157.06447	1.7
159.04425	1.5
161.05981	3.8
162.06711	2.0
163.03903	3.5
163.07536	36.8
165.06990	21.7
165.09125	4.5
166.07790	20.2
167.08560	75.5
168.08969	2.4
169.06525	7.5
174.06818	1.9
175.07489	2.7
176.06219	3.0
177.05534	2.5
177.06995	7.1
177.09158	4.4
178.07841	1.4
179.08517	1.4
181.06535	7.1
181.10124	5.2
182.07234	1.2
183.08060	5.1
184.08849	6.9
185.05986	2.0
187.07545	2.6
191.08501	1.4
193.18224	1.2
194.07225	9.9
195.08054	100.0
196.08682	5.1
197.05963	19.8
197.09605	1.6
198.06593	1.6
199.07556	1.5
199.11201	2.7
203.06964	1.2
205.06487	2.6
209.05894	1.3
209.09598	9.9
211.07521	6.8
212.08315	18.8
213.05391	1.5
213.09137	2.2
221.06166	1.1
223.07512	31.3
224.08316	3.8
225.05446	2.8
227.10655	95.9
228.11028	2.1
237.09070	4.3
239.07117	2.2
240.07806	6.1
241.08510	2.2
241.12296	3.3
255.10162	68.1
256.10693	5.0
259.09665	1.3
259.13373	1.8
269.11865	1.6
272.10406	3.1
287.02216	2.3
287.05518	34.6
287.12772	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	287.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74842	0.7
56.96546	1.9
61.69315	0.7
63.00039	1.4
63.32759	1.0
69.03423	1.0
70.06573	1.5
70.52267	1.7
70.52621	2.4
71.68969	0.7
71.70918	0.8
85.02901	1.6
91.05544	0.9
97.02832	1.9
98.97583	1.6
98.98425	1.3
99.89033	0.8
116.98616	1.0
121.06499	0.9
123.04428	1.2
125.02367	1.9
127.03914	1.0
140.38986	0.9
143.01913	1.4
153.01820	6.9
155.07344	0.9
160.97636	0.9
161.02933	3.8
163.03825	1.0
177.00706	0.8
199.10550	0.8
199.54819	0.8
231.26277	0.8
283.37036	1.0
287.05536	11.5
287.10983	100.0
288.11295	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	287.0546
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.02372	0.2
51.16549	0.2
53.03944	0.2
55.05518	0.3
65.03937	0.8
67.01860	0.4
67.05494	0.3
68.99441	0.2
68.99789	2.4
69.03412	0.3
69.07053	0.6
70.65946	0.2
71.10365	0.3
77.25938	0.2
79.05482	0.9
80.63941	0.2
81.03414	0.5
81.07053	0.5
83.08617	0.2
91.05508	0.4
93.07034	0.4
95.04976	0.5
95.08576	0.6
103.05450	0.3
105.03352	1.0
105.07014	0.6
107.04935	1.1
107.08582	0.7
109.02872	0.9
109.10127	0.4
111.00813	1.4
111.04452	0.6
113.43748	0.2
115.05436	0.2
115.68208	0.2
117.07021	0.2
119.08585	0.5
119.33958	0.2
121.02861	8.0
121.06564	0.2
121.10117	0.5
123.11674	0.2
128.06253	0.3
129.07034	0.7
133.02843	0.9
133.10124	0.4
135.11717	0.4
137.02328	2.3
141.06956	0.3
143.08641	0.3
145.06442	0.6
145.10141	0.4
147.04405	1.3
147.11687	0.3
153.01823	10.9
157.06519	1.2
157.07600	0.2
159.11639	0.4
161.05998	0.4
161.13258	0.2
165.01823	3.0
169.06400	0.2
171.04416	0.9
171.11737	0.3
173.13347	0.3
175.03876	0.3
183.02924	1.5
185.05977	1.1
189.05536	0.2
195.16763	0.2
197.06068	0.3
199.03954	0.3
203.07001	0.3
213.05453	3.7
213.16388	0.3
216.04239	0.3
229.04857	0.3
231.06517	0.9
241.04900	1.5
241.09695	0.5
242.05791	0.2
243.06425	0.2
244.78813	0.2
258.05270	2.1
259.05988	0.9
269.04529	0.4
269.12842	0.9
287.05487	100.0
287.23645	0.7
288.05835	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	287.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11657	0.3
55.50033	0.3
58.00774	0.3
58.21798	0.3
65.03938	0.4
67.01868	0.4
68.99787	3.4
81.03415	0.4
95.04960	0.8
105.03381	1.0
107.04948	1.2
109.02840	0.6
111.00819	1.1
111.04463	0.5
121.02866	7.3
129.07104	0.4
133.02823	0.8
135.04384	0.8
137.02322	1.7
145.06444	0.5
147.04416	1.5
153.01830	11.2
157.06483	1.4
161.49202	0.3
165.01843	4.4
171.04433	1.0
183.02933	1.6
183.04364	0.3
184.05153	0.5
185.05978	1.1
189.05341	0.3
213.05473	3.0
231.06622	1.7
241.04993	1.6
258.05240	2.1
259.05966	0.9
287.05490	100.0
288.05881	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	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78716	0.2
57.32348	0.3
65.03933	0.4
67.01859	0.4
68.99786	3.3
69.03420	0.3
71.54163	0.4
79.05471	1.0
81.03401	0.7
81.07078	0.3
90.47324	0.2
92.08421	0.3
95.04933	0.7
95.08628	0.4
103.05423	0.3
105.03384	0.9
105.07005	0.4
107.04948	1.5
109.02831	0.8
111.00813	1.6
111.04460	0.7
114.31881	0.2
115.05442	0.3
119.04937	0.3
119.10386	0.2
121.02861	8.5
129.07008	0.5
131.04865	0.3
133.02841	1.1
135.04442	0.4
135.11591	0.3
137.02338	2.7
141.06993	0.6
145.06464	0.8
147.04388	1.5
149.05972	0.4
153.01828	14.3
154.02092	0.3
157.06502	1.9
160.05112	0.4
161.05971	0.5
165.01825	3.9
167.08574	0.4
169.06531	0.5
170.91763	0.3
171.04372	1.1
183.02917	2.0
185.05927	1.5
189.05351	0.3
197.06079	0.5
203.07169	0.3
213.05464	4.2
216.04016	0.3
217.04800	0.3
227.10799	0.4
229.04913	0.7
231.06490	1.2
241.04907	1.3
258.05292	3.2
259.06042	0.7
263.05597	0.2
287.05493	100.0
288.05859	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.18730	0.2
54.92419	0.2
63.19497	0.2
65.03928	0.7
67.01842	0.4
68.99791	2.9
70.71377	0.7
70.71705	0.3
79.05492	0.6
79.34857	0.3
81.03413	0.4
87.53788	0.3
95.04990	0.5
105.03384	0.9
107.04944	1.0
109.02895	0.6
111.00774	1.5
111.04423	0.7
117.07031	0.3
121.02867	7.7
121.03903	0.4
127.03905	0.4
133.02838	0.9
135.04384	0.5
137.02333	2.3
141.06941	0.4
145.06560	0.7
147.04453	1.7
153.01828	12.0
157.06516	1.6
161.05948	0.5
165.01839	4.4
171.03047	0.3
171.04448	0.9
183.02863	1.6
185.05945	1.4
189.05421	0.4
197.05928	0.5
213.05470	4.2
229.04877	0.4
231.06544	1.3
241.04909	1.8
258.05212	2.7
259.06027	0.8
269.04382	0.5
287.05490	100.0
288.05807	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	287.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
65.03928	0.7
65.99490	0.2
67.01853	0.5
68.99786	3.0
69.03415	0.4
70.90936	0.3
70.91279	0.4
74.48908	0.2
79.05483	0.7
81.03400	0.7
91.05485	0.3
93.30141	0.2
95.04945	0.6
103.05459	0.3
105.03395	1.6
105.04499	0.2
105.57688	0.2
107.04971	1.5
109.02863	0.9
111.00800	1.7
111.04454	0.8
115.05493	0.3
121.02869	8.4
127.03901	0.4
128.06175	0.2
129.06987	0.6
133.02838	1.2
135.04396	0.3
137.02344	2.6
141.06999	0.3
143.04836	0.3
145.06485	0.8
147.04399	1.5
153.01825	12.7
157.06502	1.8
161.06027	0.6
165.01840	4.0
169.06493	0.3
171.04424	0.8
183.02876	1.7
185.05992	1.7
189.05554	0.3
197.05998	0.4
203.03378	0.3
203.06931	0.4
213.05443	3.6
229.04927	0.7
231.06516	1.5
241.04922	1.6
258.05203	2.5
259.06030	1.1
281.15500	0.2
287.05490	100.0
288.05847	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
65.03935	0.5
67.01852	0.6
68.99780	3.0
69.03426	0.3
69.52538	0.8
69.52960	0.8
73.96592	0.2
79.05466	0.8
81.03400	0.5
91.05489	0.2
95.04953	0.3
97.02898	0.2
103.05458	0.2
103.19472	0.2
105.03404	1.0
107.04941	1.5
109.02872	1.2
111.00790	1.7
111.04428	0.8
115.05448	0.4
119.04935	0.3
121.02860	8.7
127.03900	0.3
128.06209	0.2
129.06976	0.6
133.02856	0.9
133.06485	0.2
135.04425	0.6
137.02328	3.1
139.05341	0.2
141.06970	0.3
145.02917	0.2
145.06474	0.6
147.04375	1.5
153.01820	13.3
157.06468	1.9
161.05946	0.7
165.01816	3.6
171.02989	0.2
171.04417	0.8
183.02873	2.1
184.05225	0.2
185.05940	1.6
189.05472	0.5
201.05455	0.2
203.07004	0.3
213.05463	3.7
217.05026	0.2
229.04950	0.5
231.06477	1.3
241.05005	1.9
258.05200	2.6
259.06052	0.9
269.04477	0.5
287.05478	100.0
288.05832	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	287.0546
Annotation	5,7,2',6'-Tetrahydroxyflavone
Peak:m/z	Relative Intensity
55.01860	0.4
55.05492	0.2
56.96565	0.6
57.03424	0.4
57.21638	0.3
63.00018	0.3
65.03930	0.6
67.01854	0.5
67.05486	0.8
67.26880	0.2
68.99783	2.8
69.03419	0.4
69.07043	0.4
70.10518	0.2
70.56281	1.0
71.01358	0.3
73.02924	0.4
79.05502	1.9
81.03397	0.8
81.07062	1.7
89.03917	0.4
91.05470	1.1
93.07024	0.7
95.04945	0.9
95.08562	0.6
97.02888	0.7
98.97569	0.6
103.05440	0.9
105.03362	0.7
105.07038	1.7
107.04931	1.2
107.08605	0.5
109.02864	0.9
109.06503	0.6
109.10162	0.4
111.00809	1.4
111.04455	0.7
115.05437	0.7
116.98605	0.4
117.07001	0.6
119.04921	0.6
119.08561	1.2
121.02863	6.9
121.06512	1.5
121.10143	0.5
122.44343	0.2
123.04393	0.3
123.11670	0.4
127.03815	0.4
128.00771	1.4
128.06161	0.5
128.98645	0.4
129.01088	1.0
129.07001	1.0
131.04938	0.7
131.08589	0.7
132.11789	0.3
133.02835	1.0
133.06464	0.3
133.10120	0.7
134.99701	0.5
135.04416	1.2
135.08043	1.2
136.07530	0.4
137.02350	3.3
137.05959	1.9
137.54384	0.3
139.05466	0.3
141.07051	0.5
143.04893	0.4
145.06456	0.9
145.10097	0.7
146.99652	0.8
147.04390	1.5
147.11705	0.6
148.05188	0.4
149.05975	1.8
151.07520	1.5
152.06187	1.8
153.01820	11.5
155.08626	0.3
157.06505	1.9
157.10107	0.5
159.11641	0.6
160.05276	0.3
161.05948	0.6
161.13243	0.5
163.07526	2.3
163.14778	0.3
165.01842	3.3
165.06996	1.3
166.07764	1.2
167.08559	4.4
169.06470	0.8
171.02974	0.4
171.04408	0.7
173.13280	0.3
175.03848	0.3
175.07690	0.3
177.07047	0.6
177.09196	0.3
181.06413	0.6
183.02893	1.4
183.04318	0.3
183.07979	0.4
184.05104	0.3
185.05911	1.6
187.07545	0.5
194.07288	0.5
195.08046	5.9
197.05968	1.1
197.23027	0.3
203.03426	0.4
203.07126	0.6
209.09593	0.6
211.07588	0.5
212.08315	0.8
213.05475	3.8
223.07547	2.1
227.10667	5.3
229.04890	0.4
231.06512	1.3
240.07899	0.3
241.04893	1.9
255.10193	4.0
258.05234	2.1
259.05988	1.2
269.04501	0.6
269.12210	0.5
269.22443	0.3
287.05484	100.0
287.23428	1.4
288.05853	2.3
299.01715	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	5,7,2',6'-Tetrahydroxyflavone
Peak:m/z	Relative Intensity
53.03920	0.5
57.92064	0.5
65.03933	0.6
67.05503	0.7
68.99784	2.7
69.03431	0.7
70.15390	0.8
70.15803	1.8
78.80630	0.4
79.05468	1.0
91.05460	0.9
93.06950	0.4
95.04948	0.7
95.74422	0.4
103.05464	0.9
105.03379	0.9
105.07029	0.7
105.75258	0.4
107.04944	2.0
109.02848	1.3
111.00775	2.4
117.06943	0.4
119.08622	0.5
121.02858	8.0
121.03766	0.7
121.06486	0.9
125.02344	0.5
129.06958	0.6
131.04930	1.1
133.02852	0.8
137.02350	2.2
137.05954	1.8
141.06934	0.8
145.06517	1.2
147.04370	1.3
149.05978	1.0
151.07527	1.1
152.06252	1.3
153.01831	11.9
157.06485	1.5
157.94559	0.5
161.05992	1.0
163.07518	1.1
165.01810	3.4
165.06981	1.3
166.07813	0.5
167.08543	2.5
167.32471	0.5
169.06479	0.5
171.04424	1.2
174.82793	0.5
181.06465	1.3
182.07150	0.6
183.02853	1.9
183.08034	0.6
184.08865	0.6
185.05986	1.7
194.07204	0.7
195.08049	5.0
197.06018	2.2
203.03558	0.6
210.72052	0.5
211.07516	0.6
212.08293	1.6
213.05489	3.2
213.09067	1.5
223.07547	3.5
224.08253	1.5
225.05473	0.9
225.09117	0.6
227.10701	4.4
229.04984	0.7
231.06528	1.8
240.07869	3.1
241.05008	1.9
241.08496	3.3
255.10141	7.8
256.10904	1.7
258.05215	2.4
259.05936	1.1
269.04282	0.6
287.05478	100.0
287.12466	7.7
288.05887	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	287.0547
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.22282	0.2
57.17138	0.2
60.79417	0.2
65.03928	0.7
67.01849	0.4
68.99490	0.2
68.99788	2.9
69.07032	0.3
69.57402	1.7
69.92804	0.2
71.04989	0.5
73.44136	0.2
79.05487	1.4
79.95033	0.2
80.31303	0.3
81.03378	0.7
81.07056	0.3
83.05006	0.3
91.05457	0.7
93.89671	0.2
95.04935	0.8
100.41012	0.3
103.05444	0.7
105.03368	1.4
105.07015	0.7
107.04984	1.3
109.02843	0.9
109.06510	0.5
111.00823	1.2
111.04449	0.6
115.05455	0.4
117.06988	0.4
119.04925	0.6
119.08556	0.3
121.02862	7.5
121.03798	0.3
121.06482	1.1
125.02397	0.3
129.06996	0.5
131.04907	0.9
132.12424	0.2
133.02841	0.9
135.04448	0.6
135.08026	0.8
136.05153	0.2
136.07523	0.3
137.02328	2.5
137.05939	1.5
141.06990	0.6
145.06480	1.0
147.04413	1.6
149.05937	1.0
151.07520	1.2
152.06154	1.0
153.01817	13.0
153.06996	0.4
157.06526	1.4
161.05988	0.7
163.03902	0.5
163.07573	1.8
163.17339	0.2
165.01813	3.4
165.07005	1.0
165.09077	0.3
166.07713	0.4
167.08546	3.3
169.06485	0.6
171.04395	0.8
177.06908	0.4
181.06520	0.4
181.10023	0.4
183.02882	1.6
184.05005	0.3
185.05911	1.3
187.03857	0.3
189.05429	0.3
194.07349	0.3
195.08075	4.1
197.05878	1.4
203.03348	0.9
209.09636	0.5
212.08247	0.9
213.05458	3.6
216.04169	0.5
223.07542	1.1
227.10649	4.5
229.04939	0.6
231.02864	0.3
231.06383	1.2
241.04898	2.2
247.10828	0.3
255.10176	3.0
258.05301	2.3
259.06018	1.0
262.51068	0.3
269.00848	0.3
269.04294	0.4
287.01965	9.9
287.05453	100.0
288.05801	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	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.2
62.79116	0.2
65.03937	0.5
67.01863	0.5
67.05495	0.4
68.99792	2.7
69.03413	0.7
70.70740	0.7
72.09824	0.2
79.05488	0.9
81.03419	0.3
81.07056	0.6
91.05468	0.7
93.07035	0.5
95.04945	0.8
95.08576	0.5
103.05474	0.5
105.03381	0.8
105.07017	0.8
107.04950	1.5
107.08593	0.6
109.02866	0.8
111.00822	1.5
111.04457	0.6
115.05482	0.3
117.06988	0.3
119.08546	0.4
121.02869	8.1
121.10149	0.4
123.04514	0.3
123.11681	0.3
128.06207	0.3
129.06960	0.7
131.08542	0.4
133.02832	1.0
133.10130	0.3
135.04428	0.6
135.08054	0.4
137.02336	2.8
137.05911	0.4
141.06949	0.4
145.06493	0.6
145.10107	0.3
147.04408	1.6
153.01826	11.8
157.06468	1.5
157.10060	0.3
159.11662	0.4
161.05988	0.6
163.07559	0.4
165.01842	4.1
167.08531	0.8
171.03020	0.2
171.04401	0.7
175.07570	0.4
183.02948	1.3
185.06006	1.2
187.07664	0.3
189.05505	0.3
195.08099	0.9
197.06041	0.6
199.04022	0.3
201.05376	0.3
203.03468	0.5
203.06946	0.4
213.05447	3.7
227.10651	0.9
231.06509	1.2
241.04941	1.6
243.06543	0.2
255.10245	0.9
258.05203	2.4
259.05923	1.0
269.04431	0.7
269.22650	0.5
287.05496	100.0
287.23630	0.8
288.05817	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	287.0549
Annotation	Fisetin
Peak:m/z	Relative Intensity
52.95250	0.2
56.38421	0.2
65.03935	0.5
67.01845	0.5
67.31847	0.2
68.99786	3.0
69.03414	0.2
69.99487	1.0
69.99792	0.2
79.05466	0.8
81.03416	0.3
91.05473	0.3
95.01313	0.3
95.04940	0.7
102.38630	0.2
105.03374	1.2
105.07016	0.2
107.04968	1.4
109.02869	1.0
111.00793	1.7
111.04434	0.8
115.05453	0.2
117.07024	0.3
119.04937	0.2
121.02867	7.7
128.06213	0.2
129.06987	0.4
133.02846	0.8
135.04379	0.3
137.02339	2.4
139.05446	0.2
141.01955	0.2
141.06961	0.3
145.02702	0.2
145.06454	0.8
147.04376	1.2
153.01823	13.2
154.02109	0.2
157.06471	1.5
161.05939	0.5
165.01842	4.3
171.02980	0.2
171.04372	0.7
175.03830	0.2
175.07581	0.2
183.02901	2.1
185.05984	1.1
189.05414	0.3
197.06007	0.3
203.07085	0.3
213.05461	3.5
216.04230	0.3
229.05013	0.6
231.06555	1.5
241.04967	1.7
258.05228	2.5
259.05991	1.0
269.04465	0.4
287.05484	100.0
288.05811	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
55.01859	7.8
55.05265	2.8
55.05508	37.6
57.03152	3.4
57.03433	56.0
59.32073	2.2
63.77950	2.3
65.03931	3.1
67.05500	57.8
67.53477	2.0
69.03404	10.7
69.07063	12.6
70.08794	10.4
71.04989	12.1
78.91331	2.1
79.05057	3.5
79.05486	43.9
81.03414	100.0
81.06588	3.2
81.07053	62.8
83.04969	24.5
83.08611	33.0
85.02899	87.5
85.06572	3.1
90.03409	2.1
91.04897	3.2
91.05473	59.1
93.07027	31.8
95.04963	44.0
95.08601	23.8
97.02863	3.8
97.06524	8.2
97.10120	4.7
98.20793	2.7
98.98428	2.4
99.08112	2.6
105.07024	43.1
107.04964	10.2
107.05555	2.2
107.08612	11.0
109.06508	7.0
109.10142	6.5
111.04429	4.3
111.08078	17.1
113.05980	4.0
115.05431	4.8
117.07008	3.3
119.08572	31.5
121.06483	3.3
121.10104	11.7
123.08085	4.8
123.11699	4.1
126.01071	7.9
127.01412	5.8
128.00751	19.2
128.06186	2.4
129.01128	6.7
129.06987	16.1
131.08568	17.7
133.06429	3.5
133.10106	18.6
137.05983	3.2
137.09627	4.5
142.07761	5.5
143.08568	3.0
145.10136	3.6
147.08069	5.0
147.11673	28.8
149.09605	9.3
153.01843	3.8
155.08502	2.7
157.10126	23.6
161.05984	6.1
165.06993	9.2
165.12759	5.2
169.10115	3.1
175.11166	21.3
178.58046	2.0
179.08447	2.3
182.07283	3.7
193.06505	5.1
193.10393	3.8
193.12236	76.3
197.09598	3.8
209.13332	2.7
210.06822	5.6
211.11288	4.0
211.13242	34.4
221.05945	6.3
225.09160	14.2
225.12782	2.4
229.05048	6.6
237.16246	2.6
239.14371	3.8
253.08609	12.1
257.04517	2.3
267.17404	6.8
285.03772	10.1
285.11304	13.0
285.16693	33.9
285.21494	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55603	4.3
53.03956	6.3
53.73819	4.6
55.01861	19.9
55.05515	29.8
57.03443	42.0
60.09982	4.6
61.02913	14.2
63.00041	6.3
67.05501	47.4
69.03439	35.1
69.07062	27.4
70.83060	12.1
70.83408	6.5
71.01366	5.0
71.04996	43.9
73.02919	11.5
74.05588	4.5
79.05495	48.8
79.55347	4.2
81.03419	71.0
81.07063	100.0
83.04967	20.1
83.08611	17.8
85.02905	67.3
85.06501	5.0
91.05488	66.7
93.07044	60.1
95.04959	37.2
95.08609	44.7
97.02893	13.7
97.06525	22.6
99.08083	16.8
103.03893	12.0
105.07034	66.9
107.04952	7.2
107.08590	42.5
109.02908	7.1
109.06529	36.4
109.10151	18.5
111.04430	20.5
111.08070	18.3
115.03928	8.8
116.10806	5.2
117.07034	15.4
119.08577	49.7
121.06503	14.2
121.10146	30.0
123.08071	57.9
123.11673	11.0
127.03891	6.3
127.07538	4.6
128.06209	10.6
129.06999	12.4
131.08606	24.7
133.04936	6.4
133.06473	11.0
133.10152	35.4
135.08020	10.5
135.11678	16.2
137.05933	6.0
137.09610	18.1
139.11195	14.9
143.08551	16.3
145.06451	6.4
145.10138	20.0
147.08014	11.2
147.11685	21.7
149.09607	6.4
151.03877	6.7
151.07657	7.0
151.11215	12.0
153.01854	35.3
153.12727	13.1
157.10104	13.5
157.49149	4.6
159.08063	15.9
159.11702	14.8
161.05994	13.2
161.09607	18.2
163.11232	24.8
165.01917	6.8
165.07042	23.4
165.12714	26.3
171.01405	5.9
171.11749	13.1
173.13263	5.1
175.11195	11.6
177.12781	13.3
181.06477	7.8
182.07309	11.9
183.02937	6.0
185.13307	6.8
189.12631	9.0
193.06479	19.7
193.10686	5.6
193.12234	36.8
201.12871	5.6
210.06726	15.0
211.07524	4.9
211.13297	15.6
221.05971	20.9
225.09093	34.7
231.13783	13.4
238.06184	8.9
249.14886	10.6
253.08621	59.9
254.09084	6.3
257.04388	6.2
267.10263	10.1
267.15942	11.8
267.21078	6.7
285.03979	10.7
285.08282	7.8
285.11124	37.9
285.16907	38.9
285.22095	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
55.01864	6.1
55.05503	10.9
56.24798	1.4
56.96559	3.0
57.03436	16.2
63.00053	1.4
65.03933	1.5
67.05503	28.9
69.03438	3.3
69.07066	19.1
70.05370	1.4
70.91499	4.3
71.04989	3.9
79.05490	20.4
79.97168	1.4
81.03412	4.0
81.07055	62.6
82.07372	1.3
82.08377	1.4
83.04973	6.7
83.08606	7.2
84.96033	3.5
85.02898	2.0
85.06526	4.5
91.05479	42.9
93.07043	20.4
95.04945	9.9
95.08604	17.1
97.02893	2.9
97.06535	16.1
99.08083	4.1
105.07030	42.5
107.04979	2.0
107.08590	14.1
109.06528	10.9
109.10153	4.2
111.04452	2.0
113.05984	3.9
115.05424	2.3
119.08577	41.4
121.10138	20.2
123.08068	4.5
123.11700	25.7
127.07590	2.5
128.06259	1.8
129.07005	17.6
131.08583	5.4
133.10126	17.6
135.11719	1.5
137.13293	2.4
142.07765	4.8
145.10109	3.4
146.03642	2.9
147.11685	100.0
149.09596	4.3
153.01830	23.3
153.02982	2.0
157.10126	27.9
157.11281	1.2
158.10550	1.7
159.04271	1.7
161.06001	4.3
165.07001	6.9
165.12758	42.9
169.10149	1.7
175.11174	25.6
177.49873	1.3
179.54796	2.1
181.06586	1.8
182.07272	1.8
183.13788	1.8
193.06522	5.1
193.12177	12.5
210.06802	5.0
211.13287	3.7
221.06050	5.0
224.00751	1.4
225.09012	9.9
227.05875	2.9
228.06139	2.1
229.14336	82.8
238.06337	1.7
253.08554	12.4
262.88379	1.4
267.10120	2.2
285.11206	13.0
285.16818	19.0
285.22073	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
53.07584	1.0
55.01863	6.6
55.05510	32.6
57.03434	58.1
57.07074	1.5
59.04987	2.2
65.03926	1.8
67.05499	42.3
68.02406	1.3
69.03421	5.4
69.07061	12.2
69.57925	9.4
71.04994	11.2
77.44867	1.3
79.05489	37.8
81.03414	96.4
81.06580	2.5
81.07053	50.2
82.21269	1.2
83.04977	16.5
83.08618	38.7
83.09115	2.0
85.02901	100.0
85.06530	4.4
87.04471	1.5
91.05474	48.7
93.07032	25.3
95.04959	45.2
95.08597	20.2
97.02888	3.3
97.06002	1.1
97.06514	7.5
97.10166	4.6
98.21586	1.4
99.08101	2.4
103.05455	1.4
105.07025	35.6
107.04951	6.2
107.08597	11.3
109.06518	7.9
109.10144	5.4
110.24414	1.2
111.04449	4.0
111.08072	21.3
113.05997	6.9
115.05431	2.2
117.07024	2.1
119.08566	32.7
121.06499	2.0
121.10154	14.3
123.08051	4.3
123.11681	4.8
125.09618	2.7
129.06989	15.5
131.08549	17.3
133.06502	3.2
133.10141	14.6
137.06039	1.4
137.09631	3.4
137.13223	1.2
142.07776	4.8
143.08499	1.6
145.10103	2.0
146.03630	1.4
147.08055	4.2
147.11688	26.8
149.09612	10.2
157.10121	20.6
159.11621	1.4
161.05948	2.8
163.11214	1.9
165.06982	7.0
165.12759	5.4
175.11191	26.0
181.06487	1.4
182.07274	2.3
193.06493	4.9
193.12236	82.3
194.12556	1.7
199.14853	1.6
210.06708	3.3
211.13274	54.8
212.13695	1.4
221.05974	5.4
225.09081	9.8
253.08578	20.6
254.09178	1.5
270.08630	1.4
285.11383	9.5
285.16913	33.6
285.22189	3.8
309.95712	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01863	7.7
55.05507	35.8
57.03434	57.9
57.07071	3.0
59.05002	2.3
60.78979	1.6
63.00032	4.5
65.03916	3.4
67.05500	49.9
69.03430	12.3
69.07062	19.5
71.04987	14.4
79.05485	45.8
81.03416	100.0
81.07052	70.9
83.04989	19.7
83.08617	38.3
85.02900	91.8
85.03443	2.3
85.03663	2.1
85.06538	7.5
90.06905	1.6
91.05473	54.0
91.06017	3.7
93.07038	43.1
95.04964	54.1
95.05561	3.1
95.08599	35.1
97.02890	7.8
97.06528	8.2
97.10169	6.0
98.98430	2.2
99.04470	1.9
99.08099	5.8
103.03912	2.0
103.05453	2.8
105.07027	57.2
107.04967	8.5
107.08579	21.6
107.14452	1.6
109.06529	8.2
109.10155	14.6
111.04456	5.1
111.08077	26.6
111.87138	1.5
113.06001	6.3
115.05400	3.6
117.07013	7.6
119.04963	1.8
119.08574	45.6
121.06487	4.8
121.10143	26.0
123.08044	7.3
123.11686	7.8
124.99996	2.0
125.09652	3.1
128.06213	3.2
129.07005	23.9
131.04843	2.5
131.08568	27.7
133.06476	6.1
133.10133	24.8
135.08044	3.4
135.11697	5.2
137.09637	6.5
141.07001	2.8
142.07793	4.7
143.08563	8.0
145.10127	13.2
146.03607	6.7
147.08002	4.4
147.11682	35.3
149.09607	11.7
151.11191	2.3
153.01804	15.5
153.06996	5.0
154.07742	4.8
155.08586	5.3
157.10124	34.7
159.11705	7.7
161.05981	14.7
161.13246	4.4
163.11180	2.9
165.06987	31.4
165.12772	7.1
169.10097	7.5
171.11722	7.6
173.09648	2.1
173.13266	6.6
175.11179	28.0
175.14893	2.8
177.12709	2.3
179.08557	2.6
181.06438	6.4
181.10245	1.8
182.07248	10.8
182.10986	2.1
183.11687	7.0
185.13266	5.0
187.11063	2.0
187.14868	4.2
189.12680	2.3
189.16438	2.0
193.06476	21.8
193.12236	96.7
194.07118	4.2
194.12582	2.7
197.13312	4.0
199.14824	9.1
201.12808	2.1
201.16434	1.8
207.07980	2.1
210.06721	18.7
211.07558	3.9
211.13255	66.4
215.14290	3.2
221.05989	27.0
222.06526	2.9
225.09105	47.0
225.16364	4.8
227.07040	3.4
227.14383	2.4
227.17975	5.4
237.05507	2.4
238.06281	8.8
239.06981	2.8
239.17966	2.4
243.17435	3.0
253.08577	80.3
254.09105	6.9
255.06483	2.0
267.21063	11.7
270.08838	5.3
285.04404	1.9
285.07852	1.8
285.11246	42.6
285.16882	42.6
285.21991	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.9
55.01880	5.1
55.05500	32.3
57.03440	60.6
62.07906	2.7
67.05501	49.8
69.03442	4.8
69.07061	9.7
71.04990	11.9
79.05489	45.2
81.03421	91.4
81.07058	55.1
83.04969	22.9
83.08619	39.4
85.02905	100.0
85.06532	4.1
91.05473	61.8
91.06007	3.6
93.07047	33.7
95.04967	42.8
95.08604	20.9
97.02888	6.1
97.06525	6.1
97.10169	2.7
102.53694	2.7
105.07025	45.8
107.04959	8.0
107.08606	11.6
109.06547	6.3
109.10127	6.0
111.04457	7.4
111.08065	20.3
113.06007	9.4
117.07061	4.4
119.08573	37.6
121.10169	18.1
123.11709	3.3
129.07004	16.5
131.08548	15.2
133.10152	17.5
145.10201	4.5
147.08043	4.2
147.11685	24.7
149.09654	11.2
157.10120	18.6
165.12862	5.5
175.11191	30.7
193.12233	81.3
193.13860	6.1
211.13281	56.5
240.71359	2.9
285.16925	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81208	2.6
55.01878	4.4
55.05510	32.5
57.03436	57.7
57.07066	12.4
63.00051	3.0
67.05505	44.2
69.03432	6.4
69.07063	13.6
70.63570	6.1
70.63905	4.8
71.04989	16.7
71.08618	8.3
79.05491	43.1
81.02931	4.1
81.03417	98.3
81.07048	53.1
83.04976	25.4
83.08621	49.0
85.02903	100.0
85.06528	5.0
85.10197	4.6
87.04487	3.5
91.05482	62.9
93.07044	31.0
95.04966	48.5
95.08609	30.6
97.02882	5.9
97.06532	8.5
97.10163	5.7
105.07024	43.4
107.04985	9.1
107.08593	10.2
109.06553	5.9
109.10151	8.7
111.04432	5.4
111.08096	19.6
111.59276	3.3
113.06033	6.2
117.07011	4.9
118.47710	3.1
119.08582	35.9
121.06461	4.0
121.10175	16.2
122.74781	2.9
123.08049	4.7
123.11747	3.7
128.06201	2.7
129.06992	14.8
131.08540	23.4
133.06503	5.9
133.10130	15.3
142.07785	4.8
143.08522	3.8
145.10107	4.9
147.08072	5.1
147.11688	36.7
149.09636	8.2
155.08563	3.6
157.10133	21.6
159.11668	3.3
165.12791	7.7
169.10201	3.0
175.11195	29.5
182.33640	3.8
183.11758	4.1
193.12236	88.8
211.13280	62.7
285.16824	36.7
285.24365	6.3
285.29813	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.3
55.05510	24.1
57.03434	39.4
57.07069	2.5
67.05507	34.0
69.03427	6.6
69.07066	9.6
70.25848	4.5
70.26244	5.6
71.04985	8.9
78.56445	2.5
79.05128	2.6
79.05502	28.5
81.03417	79.7
81.07050	38.2
83.04963	14.5
83.08618	32.6
85.02905	77.2
85.03426	2.8
85.06539	3.4
91.05484	39.2
93.07044	20.2
95.04970	39.9
95.08586	19.3
97.02893	5.4
97.06516	8.6
97.10142	3.6
105.07039	29.9
107.04966	6.5
107.08584	11.7
109.06525	7.0
109.10134	5.0
111.04423	3.6
111.08085	21.4
112.40772	2.9
113.06006	6.3
114.82712	2.2
115.05506	3.4
117.07003	2.6
119.08573	31.7
121.10128	14.0
123.08061	5.3
123.11690	4.3
129.07034	13.1
131.08551	13.9
133.06427	3.2
133.10094	14.6
142.07713	2.3
145.10075	3.8
147.08072	4.0
147.11671	24.1
149.09619	7.7
157.10136	22.9
165.12711	6.7
175.11171	27.0
193.12239	100.0
211.13274	67.8
221.36086	2.6
249.05481	2.6
285.16873	38.9
285.21829	3.9
285.33289	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.7
53.78984	1.6
55.01860	2.2
55.05265	2.1
55.05508	25.2
57.03438	35.3
57.07073	3.6
63.00031	4.3
65.03941	2.5
67.05502	42.8
69.03424	2.6
69.07058	17.4
70.57245	1.7
70.64201	3.8
70.64573	3.9
71.04975	9.9
79.05487	28.3
81.03416	25.6
81.07055	100.0
83.04974	9.0
83.08636	15.2
85.02898	27.7
85.06534	4.8
91.05481	36.0
93.07043	22.0
95.04971	18.1
95.08604	22.5
97.06518	8.7
97.10180	2.2
98.98468	2.5
99.08097	3.3
101.06031	1.8
105.06384	3.2
105.07030	39.9
106.04813	1.7
107.04958	3.3
107.08611	11.0
107.83305	2.1
109.06507	5.6
109.10147	4.2
111.08053	9.3
113.06007	5.0
115.05442	2.1
117.06992	3.4
119.08575	33.1
121.06487	2.0
121.10117	19.2
123.08059	3.7
123.11700	23.6
129.06972	7.7
131.08575	6.6
133.10110	6.1
134.90898	2.2
141.06956	2.3
143.08545	3.7
145.10152	5.2
147.08118	1.9
147.11687	62.3
149.09605	3.5
153.01772	2.0
155.08548	3.6
157.10152	9.9
159.11656	2.8
165.07005	3.5
165.12732	27.0
167.08467	3.0
175.11201	9.5
179.08490	2.6
183.13951	2.6
193.12241	24.0
197.13173	2.9
211.13222	18.4
221.05942	2.1
221.13266	2.2
225.09171	3.0
229.14253	3.2
239.14478	2.8
241.15865	2.4
242.05646	3.0
253.08588	8.1
283.71002	1.9
285.07776	9.3
285.11084	4.1
285.14493	2.6
285.16971	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	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.5
55.01858	4.5
55.05511	28.1
57.03432	49.5
59.05009	2.0
59.55575	1.7
67.00568	2.0
67.05503	35.2
69.03409	5.2
69.07061	11.2
69.31091	17.7
71.04979	11.6
79.05486	42.3
81.03413	100.0
81.07050	41.7
83.04967	20.5
83.08613	34.7
85.02900	90.5
85.03436	3.2
85.06540	3.4
88.70877	1.9
91.05473	50.5
91.06015	3.2
93.07038	24.6
95.04961	37.9
95.08607	17.6
97.02880	2.3
97.06538	4.7
97.10162	3.6
97.19954	1.8
98.25160	1.8
99.08107	2.0
105.07027	36.0
107.04935	7.8
107.08571	12.7
109.06518	8.9
109.10144	5.4
111.04424	4.3
111.08086	23.2
113.06020	6.9
117.11923	2.2
119.08566	27.4
121.06492	2.2
121.10152	12.0
123.08067	4.7
123.11728	3.0
125.09610	2.8
129.06995	13.0
131.08559	14.7
133.06509	2.6
133.10158	12.3
135.04448	4.1
147.08107	3.8
147.11685	28.3
149.09608	7.6
157.10115	19.4
165.12775	7.9
175.11186	19.0
193.12227	88.0
211.13268	50.9
234.74756	2.1
285.16949	29.0
300.20355	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03704	1.5
53.03943	5.3
54.08113	1.6
54.09236	1.4
55.01871	6.1
55.05510	32.8
55.53912	1.6
57.03436	53.3
57.07072	4.1
59.04996	2.6
63.00036	4.7
65.03940	3.4
67.05502	49.0
67.69991	1.6
69.03418	8.3
69.07060	17.3
70.25649	5.5
71.04990	13.3
71.08618	2.2
79.05489	42.1
81.03415	100.0
81.07054	62.2
83.04975	21.4
83.08617	42.2
85.02901	84.4
85.06531	5.0
85.58229	1.5
91.04898	2.4
91.05475	49.1
93.07043	34.6
95.04965	44.5
95.08603	28.2
97.02891	5.0
97.06527	9.2
97.10170	6.1
98.98412	1.6
99.07459	1.6
99.08083	3.5
105.07030	40.4
107.04947	8.9
107.08587	16.5
109.06525	9.5
109.10155	12.6
111.04462	3.2
111.08067	25.3
111.11665	2.6
111.19573	1.7
113.06017	7.0
115.05423	3.5
117.07018	2.9
119.08579	36.2
121.06503	2.6
121.10139	17.3
123.08064	5.6
123.11684	10.9
125.09637	3.5
129.07007	15.8
131.08572	19.7
133.06490	4.0
133.10120	18.0
137.05954	3.0
137.09654	4.0
137.13237	1.8
141.06969	2.0
142.07816	5.8
143.08505	3.4
145.10143	6.7
146.03687	3.1
147.08017	4.0
147.11674	34.7
149.09612	11.6
151.03970	1.7
151.07639	2.6
153.01862	4.0
153.06932	1.8
154.07652	1.6
155.08557	2.9
157.10117	30.3
159.11761	1.9
161.06027	7.9
165.06984	13.8
165.12721	10.1
169.06592	1.6
169.10182	1.9
172.04222	1.5
175.11203	31.0
181.06526	2.1
182.07280	5.4
193.06497	11.8
193.12236	92.2
199.14832	2.1
210.06787	9.4
211.13274	56.0
220.88330	1.7
221.05980	12.7
225.09090	22.1
225.11086	1.9
238.06204	4.8
253.08583	38.8
254.09262	2.8
254.58873	1.8
267.20883	2.6
285.11285	22.7
285.16885	41.8
285.22214	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.2
55.01863	7.7
55.05510	31.9
57.03436	68.1
67.05503	41.3
69.03410	5.4
69.07058	16.5
71.04990	13.7
77.99564	2.6
79.05490	43.6
81.03413	99.1
81.06589	4.1
81.07050	62.5
83.04980	22.3
83.08231	3.3
83.08621	38.2
85.02903	100.0
85.06480	3.0
91.05473	54.1
93.07039	37.5
95.04963	43.6
95.08606	18.1
97.02836	6.1
97.06511	8.9
97.10141	7.7
98.20634	6.0
98.98376	3.2
105.07029	46.6
107.04961	6.3
107.08585	13.9
109.06536	7.0
109.10161	7.0
111.04424	4.9
111.08080	21.0
113.05997	11.3
114.67323	3.4
117.07034	3.9
119.08575	39.1
121.10160	17.7
123.08092	5.6
123.11714	4.0
129.06993	16.9
130.10535	3.5
131.08566	17.5
133.06525	4.2
133.10112	17.6
142.07837	3.9
147.11676	27.1
149.09615	10.3
157.10100	25.3
165.01505	2.6
165.12738	6.1
165.97760	3.0
175.11194	24.1
193.12242	96.9
194.12390	3.4
211.13295	63.7
229.80453	3.5
229.82927	3.9
237.09825	2.9
269.28622	2.7
285.16867	36.2
285.21945	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1123
Annotation	Mollugin
Peak:m/z	Relative Intensity
64.40960	0.8
67.05463	0.7
70.06572	2.4
70.98756	2.0
79.05504	0.9
81.03401	0.9
81.07048	1.3
85.07665	0.8
86.87373	0.8
91.05479	1.5
95.04964	1.7
95.08559	0.9
97.02848	0.9
105.07027	2.9
112.07619	1.8
115.05428	1.7
118.04271	0.9
121.06515	0.9
123.04433	0.9
125.02371	0.8
125.50597	0.8
133.06506	2.0
137.05965	2.5
139.07590	0.7
145.60493	0.9
146.03589	3.5
147.04463	0.9
152.06223	0.9
153.01788	1.9
153.06976	2.3
154.07750	3.0
161.05981	15.6
165.06996	29.6
168.05688	1.0
177.07164	1.1
181.06471	5.7
182.07297	10.3
193.06485	24.7
194.07344	3.5
209.05972	1.5
210.06767	19.6
211.07484	2.5
215.72086	0.8
220.05234	0.8
221.05971	28.0
222.06726	2.0
224.08176	1.4
225.09099	42.2
227.06952	1.5
235.07347	1.2
238.06290	8.8
239.06975	2.7
253.08600	100.0
254.09200	6.4
255.06595	1.0
270.08765	4.2
285.11194	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.4
61.60950	0.9
67.04495	1.0
67.05494	1.8
67.99670	0.9
69.03433	11.0
70.25794	3.6
70.26203	2.0
79.01865	4.6
79.05484	1.0
81.03421	1.9
81.06646	0.9
81.07067	4.2
85.02901	1.4
87.60246	0.9
91.05495	1.4
93.07047	1.6
95.08617	1.1
97.02894	20.1
105.07040	1.5
105.10966	0.9
107.01305	1.0
115.03941	5.6
119.04964	1.8
119.08547	1.0
121.10139	1.1
125.02383	2.7
128.15285	0.9
143.03397	7.0
147.04390	1.9
153.01831	100.0
154.02185	2.3
159.04460	2.6
165.05611	1.3
165.07021	1.9
175.03938	1.9
175.11270	1.0
177.05481	1.9
179.03430	4.0
182.07259	1.4
191.03453	1.2
193.05031	2.3
193.06602	1.1
193.12268	1.1
194.16463	1.1
205.04961	9.5
207.02893	12.8
209.04350	1.1
221.04387	3.8
221.06219	1.3
225.09117	3.5
231.02866	3.2
237.04031	1.1
249.03957	2.9
253.08556	4.8
267.04980	8.2
285.11316	2.9
285.22018	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1119
Annotation	Batatasin I
Peak:m/z	Relative Intensity
51.65244	0.6
53.35085	0.6
55.01873	1.0
63.00052	2.1
67.05492	1.1
69.03441	1.3
69.07076	1.0
69.88749	4.1
70.06594	1.9
79.05509	1.8
81.03415	1.6
81.07056	3.3
85.02897	1.8
91.05480	1.2
95.04979	1.5
95.08614	2.9
97.02900	0.9
98.98464	1.2
103.05463	0.7
105.07048	2.3
107.04968	0.8
109.02937	0.7
112.07607	0.9
113.07933	0.7
119.08614	0.6
121.06501	1.0
123.04396	1.1
125.18257	0.6
131.04967	0.9
131.90164	0.7
133.06494	1.5
133.10149	0.9
137.05971	3.8
141.07030	1.2
145.10057	0.7
146.03613	8.3
147.04385	0.9
147.08078	0.6
152.06190	0.7
153.01842	2.8
153.07001	3.2
154.07802	2.3
161.05977	23.2
162.06688	0.9
165.05589	1.6
165.06998	32.9
166.07661	1.0
167.08458	0.7
169.06529	1.0
169.37271	0.6
177.07001	1.1
179.08667	0.9
181.06488	4.5
182.07266	12.3
182.73203	0.7
192.05728	0.8
193.06470	25.3
194.07228	3.9
197.09583	2.0
199.07533	1.5
207.08032	0.8
209.06015	2.3
210.06746	25.7
211.07458	2.5
213.05382	0.7
221.05972	29.5
222.06674	1.7
223.07660	1.1
224.08257	1.2
225.09093	63.4
226.09552	1.6
226.28125	0.7
227.06981	2.4
237.05592	1.3
238.06258	9.1
239.07047	4.4
241.08525	0.7
253.08588	100.0
254.09280	5.6
255.06502	1.8
269.08002	1.0
270.08813	3.3
282.86111	0.7
284.29434	1.2
285.11185	56.0
286.11176	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03083	1.0
69.03425	11.1
69.53786	4.7
79.01859	4.8
85.02884	0.9
91.05478	0.7
97.02287	1.2
97.02890	20.3
97.03515	1.1
107.01277	1.2
115.03905	6.0
119.04929	2.3
125.02338	4.7
128.86449	0.6
131.04930	1.8
138.55121	0.7
143.03395	8.7
147.04399	2.6
151.03975	0.7
153.01823	100.0
154.02208	1.3
159.04370	3.5
161.05934	0.7
163.03932	1.8
165.05460	1.4
165.06955	1.1
175.03867	1.6
177.05444	2.0
178.34042	0.6
179.03409	5.3
190.16309	0.6
193.04927	3.4
203.03313	1.2
205.04959	10.0
207.02884	13.9
209.04439	0.9
210.06700	0.7
221.04315	3.5
223.02264	1.0
225.08983	1.0
231.02905	3.2
237.04030	1.0
249.03917	3.5
253.08586	1.7
262.68402	0.7
267.05072	6.3
285.11252	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
67.05505	2.5
69.03429	12.9
69.07074	1.0
70.25761	3.5
79.01854	4.8
81.03420	1.2
81.07077	2.3
85.02946	1.5
91.05482	1.8
93.07050	1.4
95.04922	1.0
95.08607	1.7
97.02894	18.3
101.48059	0.9
107.01302	1.0
115.03938	7.4
119.04913	1.8
119.08630	1.0
121.10145	2.1
125.02367	3.2
131.04877	2.0
133.02867	1.0
143.03406	7.4
147.04445	2.3
151.03967	0.9
153.01831	100.0
154.02119	1.4
159.04405	4.4
161.05984	1.1
163.03941	1.9
165.05550	1.7
165.06924	1.3
170.20514	1.0
171.02829	0.9
175.03915	1.6
177.05550	2.1
179.03418	3.0
182.07227	1.0
193.04953	3.3
193.06491	1.2
205.04964	8.2
207.02925	12.6
209.04401	1.2
221.04460	3.9
225.09105	2.2
231.02878	2.7
242.73363	1.1
249.03970	4.9
253.08545	4.4
267.05002	5.7
285.11163	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.2
51.02370	0.4
55.05488	0.3
60.53883	0.1
63.65874	0.1
67.05493	0.2
68.99767	0.2
69.03421	0.4
69.07048	0.3
69.30993	1.8
77.15329	0.2
79.01850	3.1
81.03389	0.2
81.07058	0.4
83.13382	0.1
91.05485	0.3
92.94969	0.1
93.07013	0.4
95.08610	0.5
97.02896	0.9
97.06535	0.1
105.07030	0.3
107.01315	0.7
118.52049	0.1
119.08553	0.3
121.10159	0.3
125.02344	2.8
133.10115	0.2
143.03389	6.5
145.10126	0.3
147.11667	0.2
153.01819	100.0
154.02168	1.4
157.10141	0.3
161.06013	0.3
165.07031	0.4
182.07129	0.2
193.06544	0.3
195.02797	0.3
197.13353	0.2
199.14868	0.3
208.84204	0.2
210.06680	0.4
211.14870	0.2
221.06047	0.4
225.09091	0.8
237.03986	0.2
253.08592	1.7
254.35315	0.2
259.02838	0.2
267.10403	0.2
285.06165	1.3
285.11148	0.9
285.18680	0.3
285.22156	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0991
Annotation	NSC19994
Peak:m/z	Relative Intensity
55.01872	0.9
55.05486	0.4
56.96556	4.4
57.03423	1.0
61.02944	0.7
63.00031	0.6
69.03427	2.6
70.06583	1.9
71.56642	0.7
72.08155	0.6
73.02898	0.8
79.66344	0.5
81.03409	0.8
81.23257	0.5
83.04978	0.7
85.02895	2.2
95.04972	0.7
95.85752	0.5
97.02872	1.5
98.97573	1.6
98.98463	0.5
99.04474	0.6
105.06984	0.4
107.16142	0.4
108.08167	0.5
109.02886	0.8
109.05048	0.6
110.03528	1.8
116.98630	1.2
127.03886	0.8
128.04544	2.2
128.98654	0.5
131.99658	0.7
134.99643	1.3
135.03030	2.4
135.04446	0.5
136.06203	1.3
136.07578	1.4
146.99687	1.1
148.07632	0.6
152.05672	100.0
153.01857	1.7
153.02878	0.6
153.04077	12.1
153.05298	0.9
157.04996	0.4
161.01245	0.8
162.99133	0.5
163.03922	1.3
164.07054	0.4
172.95222	0.6
177.00705	1.2
186.99037	0.6
190.04843	0.5
193.00146	0.5
219.01782	0.9
237.02751	0.6
242.98207	0.5
253.08714	1.2
263.00711	0.5
284.11319	1.7
284.29480	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	283.2631
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
53.03947	2.6
55.01868	6.6
55.05508	28.9
55.18876	0.6
57.03431	6.9
57.07074	14.1
59.05000	5.2
65.03928	1.0
67.05501	20.2
67.07151	0.7
69.03415	3.1
69.07064	100.0
70.07391	1.2
71.04994	5.1
71.08632	1.9
71.57938	1.2
73.06581	0.7
79.05489	16.5
81.03423	4.9
81.07053	36.9
81.79271	0.7
82.07425	0.7
83.01339	2.7
83.04980	8.9
83.08612	19.5
85.02908	2.0
85.06525	3.7
85.10180	1.0
87.08121	0.8
91.05466	9.4
91.05928	0.7
92.05829	0.7
93.07038	26.3
94.07397	1.0
95.04971	6.5
95.08602	29.7
97.02867	1.0
97.06529	7.3
97.10162	7.7
98.19294	0.6
98.97561	0.6
99.04462	1.9
99.08104	1.8
103.05448	1.2
104.29111	0.6
105.07024	6.3
107.04964	3.4
107.08590	18.0
109.02915	1.1
109.06534	3.0
109.10158	13.6
111.04432	3.5
111.08072	4.5
111.11710	15.1
111.12428	1.0
113.09616	0.8
117.07030	4.3
119.04970	1.1
119.08578	5.1
121.06489	3.7
121.10149	12.3
123.08086	3.0
123.11706	9.6
125.09616	1.0
125.13277	0.9
127.11197	1.7
128.06250	0.8
129.07002	2.4
129.12822	1.4
130.07787	1.4
131.04930	1.8
131.08574	2.4
133.10152	2.4
133.37961	0.7
134.99709	0.9
135.08080	1.8
135.11688	16.3
136.12054	0.8
137.05925	0.8
137.13272	4.8
139.07568	1.2
139.11177	4.9
143.08588	1.3
145.06467	1.3
145.10115	8.1
147.08046	1.1
147.11729	1.3
149.05984	1.6
149.09630	1.2
149.13232	4.9
151.14836	2.1
152.06268	1.1
153.12738	5.3
155.08534	1.0
159.11545	0.6
161.09605	0.9
163.11172	12.7
163.14816	2.4
164.11522	0.7
165.06964	1.4
165.16386	1.4
167.08534	1.3
167.14348	2.4
169.06474	0.9
169.10019	0.8
171.11685	0.9
173.09625	1.9
177.07033	0.9
177.16405	2.3
181.10147	1.0
181.12280	3.5
185.13217	0.9
191.10693	2.4
191.18008	2.2
193.04979	0.8
195.08083	3.0
195.11760	0.8
195.17485	1.4
197.05992	0.8
209.11758	2.4
209.18942	1.0
223.07559	1.8
227.12717	8.5
227.14571	0.6
228.13174	0.7
234.08861	0.7
240.07971	1.4
247.24268	2.5
255.10248	1.2
265.10855	1.0
265.22461	0.9
265.25195	5.3
283.09445	6.0
283.15167	6.9
283.20602	1.4
283.26343	14.4
284.26620	0.8
301.06213	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27290	2.5
53.03928	5.5
55.01863	13.6
55.05507	30.6
57.03432	27.9
57.07071	5.5
66.33731	2.0
67.05504	36.1
69.07067	16.5
71.04972	6.9
71.57249	2.7
71.57693	4.0
74.37005	2.2
76.54135	2.0
77.03893	2.0
79.05063	3.6
79.05489	49.9
81.02975	2.0
81.03406	11.6
81.07052	39.0
83.01330	7.0
83.04977	14.9
83.08612	17.7
85.02929	2.7
91.05475	24.9
93.07038	71.9
95.04960	16.5
95.08601	59.3
97.02880	7.1
97.06518	8.8
97.10174	4.0
99.04442	8.8
103.05433	2.5
105.07030	21.9
107.04963	17.3
107.08588	47.3
109.06528	5.4
109.10139	5.4
111.04441	5.9
111.08089	3.6
117.06997	17.9
119.08566	18.6
121.06480	8.7
121.10121	26.1
123.08055	4.7
123.11725	4.4
125.05985	5.3
128.06195	2.3
129.07001	4.0
130.07820	3.5
131.08531	8.8
133.10129	5.9
135.08089	5.4
135.11681	66.8
139.07524	2.9
143.08551	2.7
145.10118	46.2
149.09550	2.6
151.11224	2.6
153.12730	4.7
163.11168	100.0
163.12543	5.0
173.09686	5.2
181.12225	22.6
191.10690	6.4
195.59862	2.1
209.11754	8.9
227.12762	96.3
253.41739	2.3
273.28244	2.4
283.15369	34.8
283.20566	3.5
283.24185	6.8
301.06503	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	283.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01873	9.0
55.05510	23.7
57.03432	7.5
57.07076	6.2
59.05008	4.9
65.03934	1.3
67.05506	20.6
69.03432	2.3
69.07066	100.0
69.80392	3.6
70.07404	1.0
71.01351	0.9
71.04989	3.6
71.08636	1.5
73.02883	0.7
79.05492	16.1
81.03409	4.1
81.07057	30.4
82.07385	0.7
83.01353	2.0
83.04980	13.1
83.08620	14.6
85.02918	2.0
85.06535	4.3
85.10170	0.6
86.09720	0.9
91.05479	8.4
93.07045	24.3
95.04968	5.3
95.08604	30.3
97.02888	2.5
97.06522	7.5
97.10155	5.0
99.04464	1.5
99.08096	3.2
103.05460	1.0
105.07028	6.0
107.04951	5.3
107.08597	17.0
107.09298	1.1
109.06537	2.1
109.10155	17.1
111.04444	6.4
111.08080	3.9
111.11715	13.3
111.12429	0.9
112.04890	0.7
113.09642	0.6
117.07030	4.5
119.08588	5.3
121.02869	0.7
121.06519	2.9
121.10143	13.1
123.08103	2.3
123.11716	7.6
125.05984	1.4
125.09667	1.0
125.13295	1.1
126.01067	0.6
127.11202	0.9
129.07010	1.3
129.12834	0.7
130.07800	0.8
131.04947	1.5
131.08595	2.4
133.10175	1.7
135.08055	1.4
135.11688	19.9
137.06010	1.0
137.13254	5.7
139.07530	1.5
139.11188	5.5
140.58720	0.5
143.08563	0.9
145.06516	1.2
145.10133	10.0
145.16678	0.5
147.08081	0.8
147.11652	0.6
149.02397	0.6
149.13269	3.3
149.30859	0.5
151.14818	2.6
153.12747	9.4
155.08568	1.2
157.10175	0.6
163.11172	19.7
163.14871	2.2
164.11571	0.7
165.01901	0.9
165.07101	0.9
165.16447	1.1
167.08577	1.1
167.14294	3.0
168.13899	1.1
170.15450	1.7
171.11725	0.6
173.09628	2.0
177.07056	0.7
177.16434	2.1
181.12233	8.3
183.02873	1.6
191.10706	3.1
191.17963	2.0
193.04948	0.9
195.08070	1.7
195.11623	0.6
195.17500	1.6
196.13313	0.8
198.14885	0.8
209.11787	1.8
218.54030	0.5
223.07617	1.6
227.12766	19.1
227.14900	1.0
228.13214	1.0
240.07912	1.0
247.24258	2.3
253.05165	0.6
255.10081	1.3
265.25220	4.4
271.64221	0.6
283.06131	4.1
283.09714	4.2
283.15320	9.8
283.20801	2.0
283.26318	13.3
284.06696	0.8
284.10269	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.4
54.98058	4.3
55.01870	51.5
55.05264	6.9
55.05508	86.6
57.03434	68.9
57.07057	8.5
59.04988	10.5
67.05499	58.2
69.07063	19.1
69.33399	45.2
71.01359	5.2
71.04984	15.1
77.45340	4.9
79.05486	87.5
81.03410	36.8
81.07045	80.4
83.01344	45.6
83.04966	57.7
83.08611	50.9
85.02907	10.6
91.05470	57.9
93.07036	97.3
95.04961	28.6
95.08599	43.2
97.02920	8.1
97.06543	24.5
97.10166	7.6
98.20804	10.9
99.04452	10.8
103.05516	7.8
105.07001	41.7
107.04942	29.2
107.08565	46.0
109.06521	22.7
109.10164	10.2
111.04431	17.6
111.08066	6.8
117.06972	24.7
119.08572	30.6
121.06488	14.2
121.10110	27.4
123.08048	33.9
125.05946	12.3
125.09657	4.6
127.89317	4.4
129.07019	8.1
130.07796	9.0
131.08580	15.3
133.10075	11.0
135.08055	5.9
135.11681	52.0
145.10101	61.6
147.07999	7.8
153.12747	20.1
163.11162	100.0
173.09604	8.2
173.48221	4.3
181.12204	18.6
191.10646	13.0
209.11745	17.8
213.16418	5.0
227.12802	15.4
283.15311	80.5
283.20389	7.5
283.24014	7.4
301.05771	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63682	1.3
53.03957	3.4
55.01871	7.4
55.05509	19.7
57.03437	18.2
57.07061	1.9
59.28072	1.3
65.03927	1.7
66.62537	1.3
67.05500	28.1
69.03416	2.7
69.07065	12.2
71.04984	4.8
73.02882	2.0
73.82545	1.3
79.05488	37.1
81.03445	6.3
81.07054	31.0
83.01315	2.1
83.04989	7.8
83.08627	12.1
85.02917	1.5
89.06040	4.5
91.05472	15.9
93.07041	52.7
95.04970	10.6
95.08604	51.2
97.02895	4.9
97.06528	4.7
97.10159	1.7
98.21504	3.9
99.04456	5.0
103.05444	2.3
105.07029	11.4
107.04967	13.1
107.08593	39.1
109.06518	5.9
109.10153	2.7
111.04436	4.1
111.08092	3.4
117.07016	14.7
119.08591	14.8
121.06478	7.5
121.10134	16.3
125.06006	4.0
130.07788	4.1
130.09885	1.4
131.08624	1.6
133.08649	1.7
133.10138	4.3
135.08101	2.1
135.11685	58.5
135.12720	3.2
139.07559	1.6
143.08498	2.4
145.10120	38.2
153.12752	2.6
155.08582	1.7
155.18199	1.2
163.11172	95.5
164.11575	2.0
173.09633	3.0
181.12242	17.9
191.10715	2.0
209.11661	2.9
227.12769	100.0
228.13098	1.9
238.84837	1.4
245.10481	1.3
283.15405	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	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84504	2.2
53.03930	3.5
53.29253	1.9
55.01863	12.7
55.05511	26.2
57.03436	20.7
57.07065	4.3
59.05010	2.6
65.03937	2.8
67.05174	2.9
67.05502	39.0
69.07066	19.5
69.92196	11.6
71.04990	7.2
73.02885	2.6
79.05489	50.4
81.03405	9.4
81.07053	37.9
83.01333	3.3
83.04968	14.2
83.08614	21.1
83.49643	2.1
85.02901	4.1
91.05474	27.4
93.06482	4.1
93.07040	66.8
95.04958	16.0
95.08604	66.7
97.02878	7.9
97.06519	11.0
97.10143	2.1
99.04453	8.2
105.07034	30.3
107.04951	17.6
107.08583	48.8
109.06505	5.3
109.10130	6.1
109.93437	1.9
111.04431	6.2
111.08036	2.5
117.07018	18.8
117.91012	2.3
119.08587	23.5
121.06504	9.5
121.10147	30.4
123.08050	3.2
123.11719	3.4
125.05987	2.3
130.07777	4.3
131.08551	6.8
133.06470	6.0
133.10129	11.8
135.08035	4.9
135.10115	2.8
135.11694	70.1
136.11963	2.6
139.07524	3.9
145.10120	52.6
147.11713	7.9
149.09656	3.2
153.12720	5.6
156.92180	2.8
159.11713	2.2
163.11183	98.2
173.09608	4.1
175.11205	3.8
181.12238	23.3
191.10602	5.6
192.33017	2.3
209.11658	7.9
227.10547	5.7
227.12761	100.0
257.27402	2.2
283.15143	31.0
283.20526	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	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.3
53.43624	4.2
55.01869	30.7
55.05510	55.0
57.03435	55.2
57.07066	5.6
67.05499	50.7
69.03424	4.4
69.07055	16.5
69.35165	32.5
69.35587	8.5
71.04982	9.8
73.61340	4.8
79.05492	73.6
81.03429	21.7
81.07056	63.7
83.01341	19.1
83.04971	31.6
83.08620	28.3
85.02886	9.6
89.05998	6.5
91.05477	44.2
93.07037	85.7
95.04969	28.3
95.08603	51.1
97.02880	10.3
97.06528	19.4
97.10147	4.1
98.20820	9.2
99.04468	6.9
99.08112	4.3
103.05463	4.8
104.73695	4.2
105.07032	28.1
107.04961	30.8
107.08590	60.3
109.06510	12.6
109.10126	9.3
111.04443	16.8
111.08087	7.8
117.07005	24.6
118.48119	3.4
119.08560	20.4
121.06502	12.9
121.10131	33.7
123.08062	12.7
125.05908	6.6
131.08545	12.4
133.10117	9.5
135.07996	8.2
135.11684	76.7
137.09639	5.5
143.08514	6.7
145.10123	53.2
147.08009	6.6
153.12749	16.5
163.11179	100.0
173.09569	9.8
181.12210	29.3
191.10585	10.2
209.11725	16.6
221.53590	4.3
227.12796	87.8
260.44724	5.7
283.15411	49.2
283.20352	5.2
283.24280	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	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.3
55.01872	39.5
55.05510	72.4
57.03438	59.6
57.07054	4.2
59.04993	10.5
64.75774	2.7
67.05505	51.4
69.07065	15.9
69.44139	5.3
69.44548	19.9
71.01361	3.7
71.04987	13.8
78.65619	2.8
79.05063	5.0
79.05495	71.1
81.03413	30.5
81.07051	59.2
83.01347	38.6
83.04976	46.6
83.08618	38.1
85.02892	9.4
85.06514	4.2
91.05473	47.8
93.06472	6.0
93.07042	75.4
95.04958	23.5
95.08606	31.3
95.11793	2.9
97.02895	7.2
97.05965	2.7
97.06538	14.2
97.10166	6.2
98.48837	2.9
99.04452	10.8
105.07036	29.7
107.04951	27.1
107.08590	45.4
109.06526	20.9
109.10146	7.6
111.04427	13.8
111.08087	7.3
115.05486	3.0
117.07011	26.3
119.08587	33.2
121.06511	9.8
121.10129	28.1
122.10526	2.8
123.08047	25.4
123.76324	3.0
125.06010	8.3
127.21178	2.7
128.06204	2.7
129.07033	6.8
130.07787	4.9
131.08545	9.4
133.10146	9.7
135.08006	3.9
135.11688	43.0
137.09637	3.8
139.07483	4.6
143.08542	3.7
145.10121	62.2
147.08044	6.5
153.12749	9.5
155.08575	5.3
163.11182	100.0
163.12547	6.3
173.09656	10.3
181.12202	17.9
182.12411	2.7
191.10686	12.6
209.11734	16.9
218.38379	2.5
227.12775	38.4
241.17101	3.4
264.52835	2.7
281.19485	2.6
283.15326	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	283.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.4
55.01865	46.8
55.05508	77.8
57.03432	79.4
57.07048	6.0
59.04985	11.9
59.94928	5.5
67.05502	48.3
69.07043	14.2
69.37526	30.7
69.37941	11.0
71.04977	16.3
79.05064	8.2
79.05489	88.1
81.03414	41.7
81.07049	61.8
83.01347	45.3
83.04975	63.2
83.08629	46.2
85.02901	12.3
91.05479	50.9
93.07035	100.0
95.04979	25.3
95.08607	29.1
97.06506	18.4
97.10172	7.2
99.04460	9.6
105.07014	28.7
107.04953	34.2
107.08573	48.5
109.06525	23.4
109.10159	8.3
111.04434	14.1
111.08050	8.7
117.07011	25.9
119.08574	33.8
121.06518	11.1
121.10148	26.3
123.08062	28.7
125.05949	6.0
129.07037	7.3
131.08559	8.9
133.10126	7.6
135.08047	6.8
135.11670	45.4
138.77910	4.5
143.08487	5.7
145.10115	54.7
150.06734	4.2
153.12746	21.5
155.08514	9.2
157.10098	4.5
159.83211	4.2
163.11172	99.6
173.09615	9.7
177.57352	4.3
181.12231	24.2
191.10646	12.8
208.97641	4.7
209.11714	18.4
212.55968	4.4
227.12790	15.6
262.53452	4.7
283.15359	64.3
283.20581	6.0
283.24063	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.3
55.01868	50.8
55.05264	6.5
55.05508	80.8
57.03437	62.9
57.07065	6.7
58.94912	5.2
59.04987	12.2
65.96594	5.2
67.05495	54.1
69.03406	7.0
69.07066	12.8
71.05003	8.3
71.31109	12.9
79.05490	90.3
81.03423	40.3
81.07043	59.6
82.03159	5.5
83.01336	34.0
83.04983	65.1
83.08624	46.8
85.02901	13.1
89.06023	7.3
91.05474	39.8
93.07040	100.0
95.04967	28.3
95.08604	31.3
97.02903	9.5
97.06522	16.2
97.10204	9.9
99.04453	14.9
100.76322	5.1
105.07030	36.9
107.04955	24.5
107.08596	43.7
109.06507	22.5
109.10143	11.1
111.04427	20.9
111.08058	8.7
111.53442	4.7
117.07005	22.3
119.08579	31.3
121.06504	15.8
121.10126	33.2
123.08075	34.2
129.06973	5.6
131.08577	17.7
133.10133	7.3
135.11688	46.4
137.09604	5.8
139.07523	7.0
145.10120	55.3
147.11656	4.9
149.09674	6.3
153.12715	22.7
155.08508	5.2
163.11180	93.8
172.30269	5.2
173.09637	13.2
181.12215	25.2
182.24283	5.5
191.10609	16.5
196.40971	5.7
209.11722	18.7
227.12852	25.2
227.14693	5.1
247.66347	5.3
283.15393	63.0
283.20468	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	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.5
55.01873	44.1
55.05508	78.8
55.75090	4.4
57.03199	6.2
57.03436	81.1
59.04999	11.9
64.35590	4.6
67.05501	53.8
69.03414	5.1
69.07054	12.8
69.34016	35.2
69.34435	12.8
71.01337	8.8
71.04980	16.8
73.23660	4.1
79.05058	7.3
79.05489	78.6
81.03408	39.3
81.07050	77.8
83.01337	56.1
83.04974	47.3
83.08617	45.3
85.02882	10.1
87.49515	4.3
89.68311	5.0
90.86385	4.3
91.05477	57.1
93.06484	6.1
93.07044	94.1
95.04967	22.8
95.08626	35.3
97.06509	15.1
97.10183	7.6
99.04449	8.0
102.54674	4.9
105.07047	35.7
107.04954	30.1
107.08610	40.4
109.06505	30.8
109.10145	5.5
111.04410	9.3
116.36028	4.3
117.07018	29.5
119.08575	28.3
120.42770	5.0
121.06496	14.1
121.10170	24.8
123.08073	39.5
125.05962	8.2
129.06981	8.0
131.08588	8.8
133.10133	4.6
135.08035	5.0
135.11671	46.9
145.10133	54.7
153.12750	12.3
155.08533	6.5
163.11186	100.0
173.09581	13.5
181.12247	16.8
181.36032	5.4
206.82742	5.2
209.11714	17.4
227.12737	11.4
283.15353	66.4
283.20337	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	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.6
53.78354	2.7
55.01872	54.7
55.05510	89.4
57.03434	79.5
57.07078	9.9
59.04992	14.5
65.03932	3.4
67.05503	57.4
67.66929	4.1
69.03422	8.0
69.07059	27.0
69.46521	29.1
71.01353	5.3
71.04996	16.9
71.05335	3.1
71.08627	4.4
79.05491	79.0
81.03414	36.9
81.07052	86.5
83.01345	43.1
83.04984	55.2
83.08621	46.8
85.02892	8.2
85.06535	7.7
89.91837	2.9
91.05476	60.2
93.07041	100.0
95.04966	36.3
95.08600	44.3
97.02874	9.6
97.06546	18.1
97.10181	13.0
99.04444	9.7
105.04601	3.7
105.07023	36.0
107.04942	30.4
107.08587	50.8
109.06515	21.0
109.10139	17.1
111.04433	14.8
111.08106	10.3
117.07016	32.2
119.08583	37.2
120.68327	3.0
121.06499	13.0
121.10149	27.5
123.08076	33.6
123.11650	4.9
125.05997	7.8
125.09660	6.5
129.07060	7.5
130.07816	6.5
131.04942	4.2
131.08588	16.3
133.10095	8.8
135.08049	11.0
135.11678	52.6
137.09612	4.3
139.07576	4.9
145.06531	5.3
145.10117	67.2
147.08081	11.0
147.11681	4.7
149.09630	4.8
152.06232	4.1
153.12717	23.2
157.10153	6.3
159.11739	3.4
163.11172	96.6
165.07050	5.7
173.09576	18.4
181.12177	20.8
191.10619	17.2
191.24174	3.4
195.08029	6.6
209.11705	19.5
223.07622	4.2
227.12794	13.0
255.21223	3.6
283.06540	3.5
283.09692	10.9
283.15375	86.3
283.20566	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	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	14.8
53.04169	3.8
55.01870	54.1
55.05511	90.9
56.96545	7.8
57.03437	80.1
57.07059	6.2
58.68760	3.5
59.04992	15.5
67.05172	5.2
67.05505	61.6
69.03423	10.4
69.07079	25.0
71.01353	4.3
71.04996	19.5
77.03894	3.5
79.05493	84.2
81.03416	40.5
81.06598	5.5
81.07059	77.2
83.01344	50.1
83.04988	64.9
83.08618	43.4
85.02885	15.7
85.06532	3.9
91.05482	57.5
93.07043	99.1
95.04968	29.2
95.08608	32.0
95.11140	3.6
97.02874	8.5
97.06542	19.2
97.10153	8.9
98.21613	6.6
98.97665	3.6
98.98434	5.6
99.04449	18.9
105.07032	43.2
107.04959	32.2
107.08599	52.5
109.06507	25.5
109.10146	12.9
111.04422	21.0
111.08069	7.6
116.06159	3.7
117.07005	31.7
119.04906	12.3
119.08575	35.1
121.06503	12.7
121.10114	36.5
123.08081	22.8
125.05990	5.9
125.09624	5.5
128.06152	3.8
129.06963	10.5
130.07777	5.9
131.04834	4.4
131.08568	14.6
133.10103	10.4
135.08041	11.2
135.11693	55.8
137.09630	6.5
139.07600	4.8
143.08572	6.2
144.07423	4.1
145.10126	66.3
147.08063	10.0
149.09587	8.3
153.12732	18.8
155.08478	6.6
163.11183	100.0
173.09618	12.6
181.10689	3.6
181.12167	21.5
191.10683	12.8
209.11691	24.9
227.12802	13.8
229.22972	5.7
283.06073	5.0
283.09354	4.9
283.15387	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	11.7
55.01875	23.8
55.05513	39.1
55.91945	1.8
56.96552	4.0
57.03432	11.1
57.07077	13.2
59.04993	4.1
65.03931	4.7
67.01842	1.8
67.05174	2.8
67.05506	42.7
69.03429	25.2
69.07069	100.0
71.01355	1.8
71.04996	12.2
71.08626	4.7
73.02900	1.8
79.05492	46.6
81.03418	27.3
81.07059	64.8
83.04983	12.6
83.08620	23.4
85.02897	12.9
85.06548	9.3
87.04473	2.8
91.05477	38.5
91.72146	1.8
93.06480	3.4
93.07039	57.4
95.04956	20.4
95.08610	53.5
97.02886	12.2
97.06533	13.0
97.10171	12.0
98.97563	3.4
99.04457	9.9
99.08071	6.3
103.05450	4.3
105.07040	19.6
107.04940	15.6
107.08592	29.0
109.02874	8.2
109.06505	11.0
109.10149	33.2
111.04452	12.2
111.08070	11.8
111.11736	13.0
113.06020	3.7
113.09643	4.5
115.05451	5.8
116.98643	3.8
117.07022	12.3
119.04923	2.1
119.08584	13.3
121.02860	25.7
121.06515	15.7
121.10165	20.2
123.04424	7.4
123.08051	5.1
123.11708	14.1
125.06003	2.8
125.09619	2.6
127.03909	10.5
128.06207	2.7
129.06982	9.1
130.13478	2.0
131.04930	10.7
131.08597	13.6
133.06485	5.9
133.10071	5.8
134.99670	2.4
135.04416	2.3
135.08064	10.0
135.11674	16.2
137.05972	8.3
137.09579	3.9
137.13271	10.0
137.14287	1.8
139.03883	3.3
139.07536	16.8
139.11154	6.9
141.06979	3.7
142.07677	2.6
143.04819	2.0
143.08572	6.1
145.06505	5.5
145.10117	13.7
147.08022	8.5
147.09105	2.1
147.11656	4.8
149.05940	6.3
149.09550	5.0
149.13234	8.0
151.07523	8.3
151.11186	3.2
151.14819	3.8
152.06186	5.1
153.01819	3.3
153.05458	3.2
153.06990	3.0
153.09181	2.3
153.12773	5.6
155.08578	6.5
157.10118	5.2
159.08014	6.5
159.11681	8.0
161.05878	3.6
163.07567	9.1
163.11166	9.9
163.14848	4.6
165.07004	9.3
166.07712	3.7
167.07150	3.9
167.08574	9.2
167.14258	2.2
169.06494	2.5
169.10126	4.1
171.07918	2.5
171.11679	3.0
173.09607	7.5
175.07591	5.2
176.06161	2.4
177.05623	2.6
177.07008	7.9
177.09131	6.1
181.06451	4.3
181.08624	4.3
181.10127	3.0
181.12187	2.1
182.07175	2.2
183.08026	3.5
183.11716	3.6
191.10605	2.7
191.17949	4.9
193.06604	1.9
193.08575	3.7
193.10246	2.8
194.07332	3.8
195.08064	17.7
195.09686	2.8
195.11702	4.3
197.06003	4.2
197.13307	4.7
199.14799	4.1
201.09102	6.3
205.08592	3.2
206.04062	1.9
209.06012	2.1
209.08008	3.9
209.11588	3.1
209.13327	2.8
210.06731	2.4
211.07585	3.7
211.09555	3.5
211.14563	2.2
212.08237	3.1
217.08585	2.2
219.10208	3.5
221.08028	2.0
222.06775	3.3
223.07553	13.1
223.09578	3.4
223.14780	4.0
225.05551	2.4
225.13054	2.1
225.16435	2.8
237.09122	3.6
237.16368	2.1
239.06950	3.2
240.07751	10.2
247.09666	4.4
247.24193	3.6
251.07030	3.8
252.09860	2.4
253.10841	3.4
254.09445	3.3
255.10251	9.9
265.10699	7.0
265.21872	2.9
265.25195	6.2
268.07254	8.8
283.02716	2.5
283.09302	39.2
283.11954	13.4
283.17126	3.3
283.20514	15.9
283.26535	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	283.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42188	4.3
53.03936	20.9
55.01669	4.8
55.01870	55.1
55.05499	8.5
57.03413	9.6
65.03916	6.5
67.05493	22.3
68.73357	4.8
69.03139	5.0
69.03425	61.7
70.70925	9.7
71.04977	10.6
73.02892	9.7
79.05487	89.6
81.03417	60.3
81.07039	14.2
83.08626	12.7
85.02901	26.5
91.05479	78.3
93.07038	100.0
95.04969	41.5
95.08601	12.9
97.02879	29.5
97.06507	17.7
99.04453	25.2
105.04478	6.7
105.07044	26.5
107.04935	33.9
109.02875	24.3
109.06544	7.4
111.04425	32.4
111.08078	15.9
113.05990	6.7
117.07001	11.7
119.04935	6.6
119.08565	11.3
121.02837	16.8
121.06498	57.4
123.04411	15.5
123.08060	7.4
125.05981	10.0
127.03905	32.4
128.09219	4.9
129.06987	10.1
131.04881	5.0
131.08525	8.8
133.06464	12.7
135.08037	30.1
137.05974	17.1
139.07526	37.0
145.06418	12.6
145.10152	5.9
147.08038	16.5
149.06015	11.4
149.09538	6.9
151.07501	19.6
155.08449	6.1
159.08089	8.4
163.07542	17.7
165.09055	6.7
173.09666	11.4
175.07582	17.2
177.09041	15.2
181.08577	10.4
187.07553	13.2
189.09126	7.7
193.08612	14.7
195.10127	5.4
201.09056	10.4
205.08577	12.4
211.09639	8.2
216.78294	5.1
217.08553	16.7
219.10205	10.2
229.08539	6.2
247.09586	14.7
265.10681	31.4
269.99466	5.3
274.23062	4.9
283.09296	6.9
283.11826	84.9
286.06479	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1174
Annotation	4-Keto-clonostachydiol
Peak:m/z	Relative Intensity
53.03931	20.7
55.01864	38.5
55.05501	6.5
57.03428	13.5
65.03909	7.1
67.05498	20.7
69.03422	64.2
70.70586	19.6
71.04969	15.0
73.02928	8.9
79.05486	66.8
81.03412	66.0
81.07030	15.7
83.04991	10.8
83.08561	7.1
85.02920	28.1
87.04477	9.8
91.05479	60.0
93.07037	100.0
95.04964	54.3
95.08604	15.0
97.02873	25.5
97.06525	7.7
99.04438	22.3
105.06998	30.3
106.06772	5.1
107.04953	21.4
109.02877	18.6
109.06502	11.4
111.04433	25.2
111.08069	22.6
115.05426	11.5
117.07008	19.5
119.08565	10.3
121.02876	64.2
121.06483	40.8
123.04426	15.1
125.05956	12.9
127.03905	18.3
129.06989	16.7
131.08549	13.7
133.06488	15.0
135.08064	30.5
137.05975	13.9
139.03877	15.5
139.07526	40.1
141.07108	6.2
142.29912	5.7
145.10062	7.2
147.08028	16.4
149.05959	13.9
151.07475	14.0
153.01796	6.2
155.08600	10.7
159.08090	9.1
163.07524	22.9
165.09187	7.3
167.07069	9.7
171.07942	7.1
173.09595	7.3
175.07587	12.1
177.09096	12.5
181.08533	6.8
183.08099	8.3
187.07594	7.7
188.93608	6.4
193.08582	6.2
201.09097	15.6
205.08583	13.1
211.09619	12.3
217.08467	9.8
219.10201	11.6
229.08578	7.2
247.09554	11.2
265.10742	27.2
266.22018	5.5
283.11765	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	5.7
53.03931	23.8
55.01875	37.3
55.05488	15.5
57.03436	9.8
67.05505	33.1
69.03426	51.6
69.07051	16.1
69.31104	59.1
71.04971	11.1
73.02939	8.3
77.98512	5.7
79.05480	75.6
81.03413	60.0
81.07056	27.5
83.04969	13.4
83.08601	9.0
84.96037	6.7
85.02883	31.5
87.04463	9.7
91.05469	68.2
93.06490	6.5
93.07038	100.0
95.04957	40.3
95.08599	24.0
97.02882	21.4
97.06496	7.0
98.97575	9.9
99.04448	19.3
103.05456	7.5
105.07024	32.4
107.04943	28.8
107.08589	15.3
109.02870	17.9
109.06503	10.2
109.10128	8.3
111.04417	21.1
111.08067	12.7
113.05989	9.3
115.05436	7.4
116.98586	8.1
117.06989	14.8
117.43639	5.4
119.08569	16.3
121.02800	6.2
121.06506	40.4
123.04436	9.4
123.08049	13.6
123.11674	5.6
125.05974	7.8
127.03896	19.3
129.06993	13.0
131.04865	9.7
131.08527	19.8
133.06468	19.4
133.10127	7.2
135.08000	16.8
135.11678	6.1
137.05939	19.0
137.09576	6.0
139.03932	6.7
139.07530	44.1
145.06470	11.2
145.10049	7.9
147.07970	10.2
149.05957	13.7
149.09651	8.5
151.07555	13.3
153.01788	19.6
153.05423	8.0
153.09184	6.1
159.07997	16.2
161.09647	8.2
163.07515	19.2
165.09106	9.7
167.07054	7.9
173.09630	8.4
175.07524	6.6
177.09099	16.3
181.08601	7.3
187.07454	8.2
189.08992	6.7
196.87329	5.9
201.09081	16.6
205.08592	7.2
209.08035	6.2
211.09564	6.8
219.10075	9.0
223.09598	7.0
229.08553	7.2
240.07706	6.1
247.09662	13.8
265.10699	21.7
283.11847	57.0
283.20490	10.2
285.18542	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	283.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	24.9
55.01873	38.6
55.05507	40.4
56.96558	19.0
57.03433	16.7
57.07079	7.1
61.88064	4.2
65.03957	8.5
67.05499	49.9
69.03431	64.0
69.07075	32.5
71.01373	5.0
71.04996	17.4
71.57308	5.7
71.57746	5.0
73.02922	10.0
79.05492	58.8
81.03424	67.8
81.07062	44.3
83.04976	16.8
83.08620	21.8
84.96062	8.7
85.02897	31.0
85.06549	10.6
87.04450	5.3
91.05486	70.5
93.07045	100.0
95.04963	36.8
95.08611	49.1
97.02900	38.8
97.06537	19.2
98.97562	7.9
99.04437	22.1
103.03970	7.0
103.05485	10.3
105.04527	8.4
105.07010	30.9
107.04949	29.1
107.08597	22.4
108.08907	4.1
109.02880	24.6
109.06522	12.4
109.10159	21.9
111.04452	33.2
111.08099	20.2
113.05987	6.7
115.05446	9.9
116.98615	8.6
117.07010	21.5
117.07793	4.6
118.76768	4.1
119.08594	18.2
121.02878	48.1
121.06509	41.1
121.10162	12.7
121.60762	4.3
123.04450	13.8
123.08068	15.0
123.11687	7.3
127.03914	17.8
129.06999	10.8
131.04941	14.8
131.08582	21.3
133.06483	15.4
133.10126	10.7
134.99667	6.9
135.04424	4.8
135.08047	25.1
135.11716	10.0
137.05966	14.1
139.03973	6.8
139.07550	47.3
141.07036	4.9
143.08650	7.4
145.06512	10.2
145.10051	10.4
147.08070	16.3
149.01253	10.2
149.06038	15.3
149.09592	10.6
149.13225	5.5
151.07590	15.4
151.11171	4.7
153.01825	9.2
153.09102	6.2
155.08553	13.3
156.58257	4.9
157.10158	8.6
159.08118	11.5
159.11699	7.0
161.09554	7.8
161.13251	5.5
163.07588	16.1
163.11147	10.5
165.06917	9.0
167.08537	7.5
169.10120	6.6
171.11765	7.9
173.09669	14.5
175.07538	7.6
177.00702	5.9
177.06909	11.0
177.09171	14.5
181.08612	9.1
183.07999	6.0
183.11674	5.7
187.07605	13.0
189.09250	5.0
195.08131	11.0
197.05965	5.5
201.09062	9.9
205.08476	11.0
211.07663	5.9
211.09613	11.3
219.10182	11.5
222.06697	6.8
223.07527	11.8
229.08687	9.3
240.07895	9.3
247.09694	6.1
255.10362	5.6
265.10883	24.4
265.19434	5.8
268.07257	6.4
282.64313	5.6
283.02454	12.7
283.09564	22.9
283.11816	45.7
283.15292	14.7
283.20306	32.9
284.28467	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	282.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26006	7.5
52.33671	7.4
56.96556	19.3
57.50449	8.6
60.83282	8.6
61.02911	10.3
69.03425	21.8
70.19274	41.6
73.02908	10.5
85.02912	100.0
85.06552	23.4
91.03937	10.6
91.05802	10.0
97.02871	22.3
98.20773	11.5
98.97578	14.0
99.04457	8.6
109.02883	9.6
116.98624	10.7
127.03914	30.4
136.06187	70.3
144.07643	10.4
145.04967	43.3
153.01826	17.3
163.06009	18.3
243.71045	8.7
268.00003	11.6
270.13669	13.8
282.08319	10.7
282.22131	12.4
300.06146	22.1
303.01456	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	18.8
55.01868	28.5
55.05509	26.4
56.96561	18.9
57.02377	4.0
57.03425	15.3
57.07070	6.7
60.95823	4.0
65.03932	9.7
67.05494	35.0
69.03135	4.9
69.03434	57.0
69.07062	24.7
71.01337	5.9
71.04993	16.0
73.02917	4.8
77.47224	3.9
79.05489	60.9
80.83445	3.6
81.03415	56.3
81.07052	50.3
83.04967	13.1
83.08620	14.8
85.02905	18.5
85.06545	8.8
87.04446	8.2
87.50065	4.5
91.05473	64.5
93.07040	100.0
95.04968	40.5
95.08602	36.8
97.02887	18.5
97.06547	10.6
97.10177	7.2
99.04470	14.5
103.05518	5.2
105.07021	17.9
105.32266	3.8
107.04971	20.0
107.08599	15.3
109.02888	18.3
109.06518	12.8
109.10158	17.9
111.04453	23.5
111.08079	17.8
115.05418	7.3
117.07033	18.0
119.04963	4.1
119.08594	9.8
121.02854	38.0
121.06496	42.1
121.10136	12.8
123.04413	14.1
123.08072	9.2
123.11722	5.6
125.06000	5.1
127.03937	15.0
129.06998	9.0
131.00168	4.8
131.04906	5.9
131.08585	16.8
133.06468	9.6
135.08060	23.4
135.11754	8.7
137.05998	15.3
137.09668	3.8
139.07556	31.3
140.41277	4.3
143.08595	5.3
145.04918	4.6
145.06534	5.4
145.10149	7.5
147.08057	11.4
149.01218	12.4
149.06024	7.0
149.09579	4.1
151.07535	14.8
153.06949	4.2
159.08017	9.3
161.05986	5.0
163.07542	15.9
165.05489	4.5
165.06931	7.0
167.02289	9.3
167.08455	7.6
173.09669	11.0
175.07564	9.7
177.09172	11.7
181.08542	7.5
187.07466	5.0
192.10909	5.9
192.61049	10.0
193.08611	8.6
195.08151	6.3
195.11754	5.9
201.09103	7.7
205.08603	11.5
219.10194	9.8
223.07549	4.9
227.05952	4.7
229.08572	9.4
240.07794	4.1
247.09660	7.8
255.10220	6.0
265.10712	19.0
267.08780	4.4
283.02365	26.6
283.09247	8.0
283.11923	38.9
283.20523	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	281.1746
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03946	8.5
54.48031	1.4
55.01867	7.0
55.05509	37.3
57.03436	25.1
57.07055	5.8
62.08780	1.5
65.03931	5.3
67.05502	90.4
69.03423	7.4
69.07064	23.7
69.33338	15.6
71.04977	6.6
73.06535	2.7
79.05489	100.0
81.03414	16.3
81.07051	76.5
83.04980	35.3
83.08613	14.4
85.02884	1.6
85.06525	6.8
91.05473	71.4
93.07035	75.3
95.04961	30.5
95.08601	51.8
97.02905	3.0
97.06506	9.5
97.10146	6.9
98.97588	4.2
99.08075	2.1
103.05479	2.0
105.07025	53.1
107.04961	8.8
107.08583	25.5
109.06516	11.1
109.10154	17.0
111.08076	4.2
115.05442	2.3
116.98602	2.6
117.07008	8.6
119.04926	2.1
119.08569	33.7
121.06488	5.2
121.10150	6.2
123.08076	8.1
123.11670	5.9
127.07473	1.9
128.06215	4.4
129.06999	16.9
131.08560	3.3
133.06505	4.0
133.10133	16.6
135.08029	2.4
135.11694	5.5
137.05995	1.7
137.09557	1.8
137.13269	2.5
143.08537	7.7
145.10126	11.9
147.08078	3.7
147.11674	37.6
149.13231	2.4
150.78595	1.5
155.08611	1.7
156.09375	2.4
159.11694	3.0
159.34587	1.5
161.05957	2.8
161.09628	5.0
161.13261	16.5
169.10037	2.5
171.11674	25.7
175.14819	1.5
177.00697	2.6
177.12808	1.8
179.08527	2.3
185.06212	1.8
189.12712	7.6
207.13783	8.6
263.23938	2.2
266.09366	2.0
266.99966	1.7
281.10315	3.2
281.17355	21.7
281.24811	2.8
299.06049	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	281.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	15.4
55.01866	25.0
55.05506	18.4
55.28120	8.7
57.03424	8.3
57.07061	10.9
65.03927	11.1
65.71221	7.1
67.05498	36.4
69.03432	100.0
69.07049	7.3
69.92761	14.4
69.93174	35.4
71.04974	21.8
77.57983	6.4
79.05476	40.2
81.03407	56.5
81.07043	51.3
83.04971	10.4
85.02907	35.4
91.05411	53.2
93.07034	22.5
93.19009	7.1
95.01307	11.0
95.04992	16.2
95.08636	10.9
96.69910	7.0
97.02894	20.6
98.21496	13.0
98.98541	8.3
99.04405	14.2
105.07068	36.0
107.04961	20.5
107.08591	15.0
109.02868	44.6
109.06515	33.1
109.10139	11.8
111.04443	9.3
111.08097	13.1
115.05450	8.9
116.06181	10.8
117.07029	7.7
119.04951	18.8
119.08532	9.6
120.08076	16.0
121.06510	15.5
121.10146	8.1
123.04409	8.0
127.03924	65.2
128.06248	12.2
129.06973	15.3
131.08585	18.2
133.06480	20.5
133.10077	13.8
135.04485	8.6
135.16508	7.9
137.02301	12.2
137.05988	48.3
137.09619	8.4
143.08635	7.9
145.06496	16.0
147.04359	9.6
147.05475	12.2
147.09203	10.8
152.61699	8.1
153.01837	12.7
155.07034	9.3
157.06458	12.4
159.08101	11.6
163.03917	9.8
165.05525	10.4
165.07072	10.4
172.05045	7.0
175.15248	7.4
185.05992	9.4
187.07552	11.0
202.04352	7.5
203.07001	8.5
218.09375	9.6
221.08128	16.3
231.31575	8.7
235.09715	8.7
263.09198	33.3
267.00024	29.8
281.10245	31.9
281.14752	13.7
281.18018	9.9
283.03137	17.4
299.06100	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1744
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
50.51530	2.4
50.79877	2.4
53.03944	11.4
53.09739	2.0
55.01858	7.2
55.05508	37.7
57.03435	30.3
57.07066	4.5
63.25984	1.9
65.03946	5.7
67.05503	93.4
69.03426	3.8
69.07063	18.0
69.88441	13.2
71.04993	3.6
71.34673	2.0
79.05490	100.0
81.03416	15.3
81.07054	67.1
83.04979	34.5
83.08608	12.1
85.06518	5.5
91.05470	73.8
93.07039	84.7
95.04965	30.0
95.08603	43.5
97.02868	3.7
97.06531	7.8
97.10153	5.3
98.21511	2.7
99.08138	2.2
103.40764	2.0
104.81508	2.3
105.07026	53.0
107.04948	6.7
107.08588	22.0
109.06521	8.3
109.10151	12.1
111.08074	3.8
115.05444	4.1
117.07021	10.8
119.08576	31.0
121.06448	2.4
121.10125	6.0
123.08079	11.2
123.11806	2.5
128.06227	2.5
129.07001	21.2
131.08585	4.4
133.10150	16.4
135.11726	2.6
135.82265	2.2
143.08513	12.1
145.10123	9.8
147.08011	2.2
147.11684	43.6
151.02841	2.5
159.11725	2.3
161.09637	7.2
161.13263	17.4
171.11673	31.0
189.12715	10.5
207.13745	8.4
210.44478	2.2
234.78467	2.2
250.75957	2.4
266.99911	2.9
281.17279	29.1
283.02954	5.1
285.16644	2.2
290.94284	2.4
299.06302	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	281.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60819	0.5
53.03940	1.4
55.01865	0.8
55.05500	0.6
56.05024	1.6
59.91954	0.5
63.37597	0.4
65.03937	0.7
67.05493	1.5
69.03416	1.5
69.07074	0.7
69.49500	4.4
71.08621	0.5
73.04733	1.0
74.06071	1.7
79.05478	1.4
81.03421	5.0
81.07040	2.8
85.06557	0.6
91.05364	0.9
91.05777	3.6
93.07025	0.7
95.04984	0.5
97.02905	0.8
99.04452	0.7
102.05534	0.9
107.04974	0.6
109.02883	9.1
109.06503	3.5
119.03556	4.6
119.04913	0.6
120.06585	5.5
120.08028	0.7
121.45290	0.5
123.07941	1.9
127.03902	4.7
136.06177	100.0
137.04573	5.3
137.05968	2.4
147.04414	0.5
153.01852	1.0
161.05884	0.6
162.04106	59.7
174.83131	0.5
190.36569	0.6
215.68016	0.5
225.04251	0.7
263.09360	0.6
266.99921	6.0
281.05127	0.6
281.10010	8.0
283.03091	5.2
299.06149	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	281.102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.9
53.03934	9.9
55.01873	14.1
55.05523	10.9
56.96564	24.2
57.03424	7.2
57.07074	4.4
65.03937	20.9
67.05500	19.0
69.03428	43.9
69.07059	14.1
71.01352	3.6
71.04988	8.4
73.02913	9.9
73.03265	1.7
78.96516	1.8
79.01855	3.7
79.05496	37.0
81.03411	34.3
81.07055	48.0
83.04974	8.3
83.08616	4.9
84.96034	6.9
85.02900	25.6
85.06516	4.3
89.54682	1.7
91.05474	100.0
93.03404	3.7
93.07043	18.2
95.01324	8.6
95.04961	18.9
95.08606	22.3
96.08959	1.9
97.02899	11.8
97.06538	2.8
97.10148	3.3
98.97592	16.2
99.04466	9.8
103.05457	5.1
105.07021	17.1
107.04964	15.4
107.08598	26.0
109.02869	21.8
109.06518	16.2
109.10181	11.9
111.04468	3.6
111.08057	3.7
112.66910	1.8
115.05421	4.4
116.98634	15.3
117.07008	7.0
119.04950	19.5
119.08574	12.4
121.02865	1.8
121.06509	12.3
121.10136	11.3
123.04415	3.0
123.08062	5.5
123.11705	4.9
125.02292	2.5
125.05996	4.4
127.03911	17.0
128.06239	3.7
129.06981	4.1
131.04933	4.7
131.08553	7.2
133.06470	13.0
133.10144	10.4
134.99684	6.9
135.04384	5.0
135.08049	3.3
135.11673	3.9
137.02351	24.3
137.05977	41.7
137.06955	3.5
137.09608	7.8
139.11234	2.7
143.03375	3.4
143.08527	3.7
145.06485	2.4
145.10156	2.6
147.04391	6.9
147.08035	5.7
147.11693	5.6
149.05989	5.9
149.09529	2.7
149.13310	4.1
151.07585	3.5
151.11292	2.1
153.00664	2.3
153.01817	28.7
153.03001	3.6
157.06552	3.4
157.10150	3.4
161.06007	7.6
165.05501	3.4
167.07065	2.1
167.26529	1.9
169.10127	2.9
171.11612	3.0
175.07526	5.3
177.00673	3.6
179.06984	3.8
182.11440	3.1
183.11682	2.6
185.11855	2.1
189.09023	2.4
191.07053	4.2
191.11952	3.5
191.14299	15.0
193.10091	2.2
203.07097	2.8
209.13118	3.5
213.04369	4.0
221.15315	2.8
223.06010	12.3
223.14868	2.3
226.98701	5.7
229.00241	5.1
241.00232	8.1
244.99644	2.3
247.01251	3.0
251.81160	1.9
254.31857	2.0
259.01245	11.4
263.09097	5.2
263.16382	3.3
268.99631	2.2
277.02325	7.8
281.10086	20.4
281.18930	6.1
283.00958	3.4
295.28601	2.2
299.06134	5.8
301.02267	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	281.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.5
55.01868	14.3
55.05503	4.2
57.03429	6.5
65.03941	27.0
67.05500	8.9
69.03425	35.6
71.01361	3.1
71.04990	6.7
73.02914	8.7
73.91347	1.5
79.05499	22.9
81.03421	31.5
81.07046	25.0
83.04978	5.3
84.08138	1.9
85.02898	25.4
86.09754	1.8
87.04456	2.8
88.86526	1.7
91.05464	100.0
92.05779	2.1
93.03427	2.0
93.07034	10.4
94.41792	1.9
95.01342	8.8
95.04964	15.2
95.08607	4.0
97.02890	17.4
99.04463	8.9
99.67422	1.7
101.02377	2.0
103.03904	1.9
103.05451	5.1
105.04554	1.7
105.07021	14.4
107.04956	8.7
107.08602	2.3
109.02877	27.7
109.06521	15.0
109.18424	1.7
111.04453	3.9
115.05447	4.8
116.98584	2.7
117.07020	5.8
119.03563	3.9
119.04942	20.9
119.08567	3.2
120.06561	2.8
121.02902	2.3
121.06496	12.1
123.04423	5.4
123.07988	2.8
125.05997	2.2
125.17332	1.6
127.03108	2.0
127.03934	24.0
128.06230	4.9
129.06982	6.3
131.04935	4.3
131.08575	3.3
133.06493	9.7
133.10085	1.6
133.76746	1.7
135.04401	6.0
135.08061	2.6
136.06186	53.9
137.02359	2.2
137.04463	2.3
137.04808	2.6
137.05972	51.1
141.07016	2.4
143.08600	1.8
145.06511	5.8
147.04427	5.7
147.08047	5.4
149.06000	7.4
152.36349	1.8
153.01816	3.6
155.07043	2.9
156.03067	1.7
157.06468	4.9
159.08121	2.4
161.05946	9.0
161.10759	6.3
162.04106	29.4
162.11517	8.8
163.03937	2.0
163.07498	2.9
167.16681	2.0
169.05101	2.0
173.05972	4.1
175.07504	5.7
177.05498	2.7
177.09140	1.8
179.07040	3.5
181.05077	2.3
185.05977	2.3
187.07492	3.1
189.09177	2.2
191.07014	3.9
193.08551	3.0
199.07550	2.8
203.07054	7.0
207.06477	2.8
215.06920	2.0
217.08586	2.3
217.13350	4.6
219.06442	2.6
235.09593	4.0
235.14505	3.8
245.08105	3.3
263.09213	6.2
266.99817	10.0
281.05325	2.0
281.10165	30.9
281.14804	8.2
283.03125	9.1
299.06161	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	279.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.8
55.05264	1.0
55.05507	14.4
56.96553	2.0
57.03415	0.8
57.07075	10.8
65.03922	1.4
67.05505	29.0
69.03416	2.2
69.07065	36.2
69.86315	4.8
71.04967	1.6
71.08621	2.6
79.05494	12.5
81.03438	0.9
81.07054	100.0
83.08153	0.9
83.08618	13.0
85.06547	5.9
85.10177	0.9
91.05455	4.1
93.07044	13.3
95.04950	1.9
95.08604	70.7
95.57652	0.8
96.08947	1.4
97.06524	1.6
97.10175	10.5
98.97577	4.2
99.08076	1.8
105.07004	4.5
107.08596	12.2
108.72144	0.8
109.06510	1.8
109.10154	38.5
111.08052	1.8
111.11717	6.8
116.98595	4.1
117.07009	0.9
119.08562	2.6
121.02895	1.0
121.06518	0.9
121.10133	8.3
123.08066	1.2
123.11701	14.0
125.09632	3.2
125.13257	1.9
131.08545	1.5
133.06453	1.2
134.99693	4.4
135.11665	7.2
137.13242	9.4
143.08585	1.5
145.06549	0.9
145.10168	1.4
147.11693	1.1
149.02335	21.8
149.13264	5.6
151.14799	2.5
153.01810	3.4
153.12747	1.6
155.08545	1.2
161.05988	1.4
161.13286	1.1
163.14821	2.2
165.06955	2.0
165.16345	1.7
165.79419	0.8
166.07742	1.8
167.03334	0.9
167.08540	3.1
168.09309	1.5
169.10127	1.0
173.09526	1.6
173.13277	1.2
177.00743	3.9
177.12656	1.1
177.16406	1.8
178.07724	0.8
179.08595	3.8
180.09221	1.1
181.05009	1.7
181.10135	5.7
183.11736	1.4
189.05338	0.8
191.08676	1.0
191.17915	1.8
193.10176	5.8
194.10931	0.9
195.01787	0.9
195.11720	3.8
205.19499	1.3
206.10788	1.0
207.11736	1.5
208.12431	2.2
209.09654	1.1
209.13162	2.4
211.11195	1.0
221.07898	1.5
221.13181	4.6
223.11189	3.2
223.14771	6.8
224.11888	0.9
231.99171	0.8
236.15685	0.9
237.12648	2.3
243.20949	0.8
249.12750	2.0
251.10834	1.4
258.83200	0.8
261.04099	1.0
261.22223	0.8
261.25729	3.2
264.14993	1.7
267.41040	0.7
277.87549	0.8
279.05295	1.2
279.08786	4.6
279.17450	22.7
279.23413	1.9
279.26831	9.7
280.17825	1.2
290.86755	0.8
291.49481	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.4
53.03934	1.0
54.44918	0.4
56.43450	0.3
57.03439	0.4
57.07056	0.6
67.05503	0.7
69.07058	0.5
71.57923	0.5
79.05489	10.3
81.07044	1.1
81.94553	0.3
91.05458	0.9
93.07050	0.8
95.04952	2.8
95.08602	0.7
103.05467	6.8
105.07026	100.0
106.07396	0.9
109.10162	0.5
118.06523	1.8
132.08081	0.7
144.08090	0.5
146.09663	0.7
149.02333	1.6
150.02679	1.8
161.09560	0.5
176.14343	4.9
230.30476	0.4
236.14191	0.4
260.11609	0.8
280.20593	73.1
281.20966	1.5
299.06241	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.05509	7.5
55.10981	1.4
56.38623	1.3
57.07075	2.6
62.05269	1.2
65.03928	2.4
67.05505	94.6
68.05846	1.6
69.07069	8.4
79.05495	11.7
81.07057	100.0
83.04954	1.6
83.08614	3.7
85.06538	1.9
91.05477	4.0
93.07041	8.4
95.08607	71.5
97.10168	1.7
98.21625	2.6
105.07021	2.6
105.15134	1.3
107.08596	5.5
109.10155	37.5
119.08566	1.6
121.10149	5.6
123.11705	21.9
131.08589	3.2
133.10121	2.0
135.11671	3.1
137.13277	7.8
145.10162	2.2
147.11668	1.7
149.02386	3.8
149.13309	1.9
151.14838	2.5
159.11586	1.7
163.11223	1.4
173.13263	2.9
177.12697	1.4
177.25093	1.4
237.18687	1.3
261.22134	2.1
279.23245	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	279.2316
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
50.78992	0.6
52.90558	0.8
53.03926	0.7
55.05507	9.1
57.03428	1.2
57.07086	3.7
57.85174	0.9
59.37748	0.7
65.03932	2.6
67.05502	91.5
69.07065	10.5
70.09808	0.8
70.34529	0.8
70.83900	1.5
70.84270	1.3
71.04989	2.0
72.53497	0.8
76.28151	0.8
79.05069	1.1
79.05493	15.4
79.05949	0.5
80.06242	0.8
81.07051	100.0
81.50912	0.8
82.07380	0.7
82.83794	0.8
83.04992	0.8
83.08611	6.2
85.06524	2.2
91.05466	5.4
93.07035	12.5
95.04980	1.7
95.08601	83.9
96.08931	1.2
97.06512	2.0
97.10133	2.5
105.07018	3.5
107.08568	8.5
109.06512	1.2
109.10149	42.8
111.11762	1.0
117.06995	2.5
119.08566	4.7
121.10132	8.6
123.08037	1.7
123.11705	22.3
131.08554	3.5
133.10094	4.0
135.08044	1.1
135.11678	5.1
137.09613	1.3
137.13251	7.9
145.10127	3.2
147.11713	2.6
149.02342	13.8
149.09627	1.8
149.13242	2.5
150.94781	0.7
151.14830	2.2
159.11687	2.1
161.13249	2.6
163.11145	1.8
163.14809	1.6
167.10674	1.1
173.13274	3.2
177.12813	1.5
177.16350	1.0
179.14244	0.8
181.12196	1.3
187.14816	3.5
195.13824	2.1
202.02689	0.9
205.15999	1.0
209.15335	2.8
219.05711	1.1
223.16919	3.1
243.21043	3.2
261.22202	4.1
279.09280	1.6
279.19772	2.5
279.23169	27.1
280.23593	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	17.9
70.62039	13.1
77.89290	5.9
78.21820	5.5
98.97585	100.0
110.97561	22.2
116.98619	81.1
119.01873	8.9
121.54047	5.2
126.60954	5.0
128.98578	37.3
134.99660	34.3
135.63794	5.6
146.99667	28.9
153.00714	6.1
154.70300	5.7
158.98499	6.2
158.99643	31.1
165.00781	6.0
170.99709	16.6
177.00700	79.2
189.00716	32.4
195.01749	10.0
207.01761	19.5
229.83339	6.8
237.02744	14.2
250.51250	5.6
255.03932	14.1
279.04575	18.3
297.04877	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	279.0499
Annotation	Nepenthone A
Peak:m/z	Relative Intensity
53.03949	1.6
55.01854	3.0
57.07082	1.4
59.86113	0.7
61.58206	0.8
63.78703	0.8
63.87049	0.9
67.05468	1.1
68.99799	0.8
73.79995	1.0
79.01851	1.5
79.05512	1.7
81.03400	2.4
83.04980	1.2
89.03925	0.9
90.54486	0.9
91.05474	3.7
93.07010	1.8
95.04949	1.9
97.02911	4.1
98.20697	1.3
99.56000	1.1
103.05466	9.9
105.03372	1.4
105.07017	3.3
107.04954	1.3
109.02916	1.2
115.05466	4.8
117.03363	1.5
119.04923	3.5
121.02933	1.0
121.06493	2.0
123.04412	1.0
125.02338	2.0
127.03920	0.9
129.06950	0.8
131.04927	48.2
132.05264	0.9
133.02834	6.0
133.06451	3.0
135.04305	1.0
137.02335	3.1
139.03894	2.2
143.03339	1.6
143.04929	2.4
143.08554	1.3
145.02831	1.4
147.04417	4.6
149.02332	11.5
149.05965	4.0
150.41454	0.9
151.03853	2.8
153.01845	16.6
158.14746	1.1
159.04414	66.2
160.04790	1.2
161.02332	1.7
161.05977	3.6
163.03908	12.2
164.89615	0.9
165.01822	3.6
165.05434	2.6
171.04428	3.6
175.03893	4.1
177.05470	23.7
179.03413	10.0
179.07037	3.4
181.01312	7.8
183.02861	2.7
187.03903	16.9
189.05481	2.3
191.03398	8.4
193.04987	4.0
197.00790	6.7
199.03915	1.4
203.03439	1.5
205.04961	100.0
206.05400	1.4
207.02895	27.3
215.03394	9.3
217.04976	3.6
221.04469	5.4
223.02507	2.0
223.05977	2.7
229.19490	1.0
233.04445	67.3
234.04727	1.8
235.02367	18.9
243.02934	3.6
251.05594	1.9
261.03918	17.7
279.04990	19.8
279.08289	1.3
287.25159	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25193	0.9
55.44274	0.9
56.96295	1.9
56.96564	31.0
57.03426	2.5
57.07063	2.9
61.02914	2.4
69.03430	5.5
69.10190	0.9
69.18748	1.0
70.06561	1.5
70.70349	3.7
71.04990	1.7
71.95247	1.5
73.02898	2.6
73.59437	1.1
73.89524	0.9
81.03411	1.9
81.82689	1.0
82.21699	0.9
84.96023	3.8
85.02895	8.9
93.46960	1.1
96.74075	1.1
97.02888	6.3
98.97581	100.0
99.04447	1.7
110.07138	1.0
110.97575	14.5
112.99102	1.7
116.98617	92.4
119.01871	2.3
121.02876	1.3
122.76250	1.0
127.03917	3.4
128.98601	36.9
128.99567	1.9
131.00125	2.2
134.06032	1.2
134.99654	65.8
140.00188	3.3
143.00179	5.1
146.99646	40.0
149.01195	2.7
149.02319	21.5
152.07050	2.4
153.00703	12.3
153.01857	2.2
158.01225	4.2
158.99660	25.7
161.01213	9.3
161.02826	1.6
165.00714	7.7
169.04373	5.4
170.01282	2.0
170.05153	5.4
170.99644	9.5
175.96214	1.1
177.00713	89.7
178.04848	1.4
180.07872	1.1
184.04784	1.3
189.00699	38.1
189.04205	1.6
195.01764	14.0
197.03239	1.2
200.02306	4.1
201.00697	2.2
207.01755	22.0
212.02304	2.0
219.01767	7.8
225.02771	1.9
237.02783	18.9
249.02829	1.2
255.03854	22.5
273.05002	3.0
279.03748	7.4
279.09607	1.2
297.04922	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63974	0.8
56.96564	47.6
69.51336	8.1
69.51740	1.7
71.95268	2.8
74.97610	1.7
84.96034	12.4
98.97583	94.3
101.00863	1.1
102.97065	1.9
110.97564	5.9
112.99153	3.4
116.31863	1.1
116.98622	64.7
119.01949	2.4
124.99145	3.6
128.98608	8.0
131.00174	3.5
134.99658	26.3
140.98575	5.1
143.00166	21.0
143.01935	1.2
146.99632	4.3
149.01224	2.4
153.00710	3.9
155.00116	1.5
157.03502	1.1
158.01263	1.6
158.99649	20.9
161.01221	22.2
161.03015	2.0
173.01277	2.7
176.99171	1.9
177.00708	39.1
179.02251	2.2
189.00737	2.7
191.02374	1.9
192.05637	1.2
195.01694	5.2
197.51271	1.4
201.00699	1.3
207.01830	1.8
208.01570	1.4
219.01741	11.3
220.53668	1.7
221.05104	1.3
229.54059	2.0
237.02823	53.8
239.06142	3.1
255.03873	100.0
260.04486	2.7
269.80328	1.0
273.04965	14.1
278.05475	3.8
279.03839	29.0
297.04935	78.0
298.05280	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.9824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01865	1.2
55.93528	42.0
56.94299	2.0
57.07067	1.8
66.01090	1.3
68.94269	0.7
69.07059	0.8
69.92876	2.7
69.93306	1.3
69.95066	0.8
70.11132	0.6
71.92629	0.9
71.93011	16.0
72.93785	19.5
73.94566	1.6
79.01843	2.8
79.05480	1.3
80.36986	0.6
81.03424	3.3
81.07062	1.4
89.94023	1.8
90.94823	10.6
91.05461	0.6
95.06087	0.7
97.02860	1.1
103.05453	1.1
105.93494	1.1
106.84990	0.7
107.04966	0.8
107.95090	1.4
108.95863	3.5
109.02901	4.1
110.95328	1.3
111.96079	2.1
119.04945	0.7
121.02850	1.3
123.94547	1.9
125.02386	2.1
125.96132	3.5
126.94783	1.8
127.03911	2.8
128.96378	0.9
129.97130	7.7
131.04900	1.3
133.06558	0.7
139.03883	0.9
143.03406	3.7
144.95801	3.5
145.02826	1.0
145.96526	0.7
146.99709	0.9
147.04395	1.1
149.02333	17.5
153.01830	35.0
153.02849	1.3
159.04410	1.2
160.95332	0.8
161.05891	0.9
163.03893	1.8
167.03395	0.7
173.96118	0.8
175.03864	0.8
177.00633	0.8
177.05502	0.8
178.96321	0.8
183.94652	1.6
187.03853	1.3
190.02580	1.3
191.03412	2.3
191.97157	1.5
196.95358	0.9
197.96123	2.4
201.95595	2.0
205.04961	3.4
206.93820	2.7
207.94591	1.1
211.94028	1.0
213.95511	1.3
214.96416	3.6
215.03444	1.0
215.97180	9.0
219.02954	1.2
224.94806	46.0
225.95586	14.3
228.94380	1.6
229.95135	1.7
233.04527	1.2
237.95467	1.5
239.93552	1.8
242.95877	67.9
243.96474	1.9
246.95265	3.2
247.96359	4.2
253.91451	1.5
255.96654	10.5
256.97318	0.6
259.96225	1.2
265.97476	0.9
269.94559	10.6
273.97705	100.0
274.98035	2.1
275.98050	1.0
278.98257	14.8
279.04974	22.4
279.08389	1.1
279.13330	0.7
280.05399	0.8
287.95627	21.0
291.98761	2.9
296.99292	39.0
297.99628	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
51.28387	1.2
53.03934	4.5
55.01863	2.8
55.05510	18.6
57.07071	8.6
65.03918	2.3
67.05502	33.5
69.03423	1.9
69.07072	18.0
69.31541	12.6
71.04982	4.0
73.23308	1.2
74.58334	1.1
79.05493	71.5
81.03421	2.1
81.07056	42.8
83.04974	3.5
83.08608	8.1
85.06519	1.5
85.10180	7.5
85.23880	1.2
88.67096	1.0
91.05478	30.7
93.07043	100.0
95.04961	14.8
95.08604	27.4
97.06503	1.8
97.10165	4.6
98.20670	2.7
103.05463	1.8
105.07027	23.1
107.04958	3.7
107.08591	48.8
109.06541	3.3
109.10167	13.1
111.08057	3.2
113.09648	10.9
117.06991	5.1
119.08578	16.2
121.10143	38.9
123.08041	2.1
123.11693	3.8
125.46064	1.3
129.06982	3.0
131.08571	5.8
133.10101	11.7
135.07973	1.2
135.10684	2.6
135.11687	46.5
137.09569	1.5
137.13161	1.5
143.08533	3.8
145.10094	5.0
147.11670	9.9
149.09587	4.1
149.13249	22.4
151.11177	1.6
157.10179	2.6
159.11658	2.7
161.13245	6.6
163.11115	2.1
163.14833	6.5
165.12740	7.1
167.10664	1.6
171.11711	3.5
173.06320	1.2
175.11147	1.8
175.14832	2.7
179.10666	2.2
179.14401	1.6
185.13229	2.7
195.13879	1.6
199.14815	1.8
203.14265	1.6
207.13768	3.7
213.16411	1.7
217.19444	1.7
221.15337	3.9
231.20959	1.4
235.16953	7.5
241.19417	1.5
242.35516	1.2
259.20471	6.5
277.03568	2.4
277.18445	2.6
277.21609	62.7
278.22083	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	277.2161
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
50.13321	2.7
53.03939	4.7
55.01853	2.8
55.05513	19.8
56.96549	4.1
57.07081	14.6
57.07307	2.6
67.05504	39.1
69.07068	18.9
69.28103	3.0
70.18433	13.1
71.04973	6.2
72.88940	3.3
79.05494	75.9
81.07063	49.8
83.08607	11.4
85.06545	5.2
88.80502	2.6
90.79940	2.8
91.05476	30.2
93.07043	100.0
95.04958	11.6
95.08601	39.5
97.06498	5.7
97.10181	3.9
105.07031	21.1
107.08588	56.4
109.06494	5.2
109.10144	16.9
111.08111	3.3
117.07034	7.6
119.08572	14.7
121.10145	48.7
123.11688	8.8
131.08588	7.4
131.78857	3.5
133.10130	15.9
135.11682	43.8
142.13402	3.4
143.08571	3.6
145.10152	4.7
147.04341	5.9
147.11659	10.1
149.09583	3.2
149.13258	21.9
149.84601	2.6
157.10109	3.6
159.11696	3.9
161.13290	6.8
163.14798	9.0
171.11603	3.6
175.11302	3.8
175.14799	5.8
177.16318	2.8
179.10681	3.8
185.13304	4.4
186.37097	2.7
187.03860	3.7
189.12668	6.7
193.12372	2.7
202.58662	2.6
207.11897	3.2
207.13800	3.9
215.03477	2.7
217.12183	2.7
217.19604	3.7
221.15485	5.8
235.16978	15.9
241.19719	3.7
259.02243	3.3
259.20541	8.2
277.03455	11.5
277.18063	16.8
277.21634	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	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03937	4.9
55.01860	2.2
55.05511	24.8
57.07076	7.9
59.04992	1.6
65.03925	2.7
67.05510	14.6
69.03437	10.1
69.07065	12.2
70.29166	4.9
71.04993	9.7
79.05490	18.8
81.03410	3.7
81.07050	38.4
83.04539	1.9
83.04991	13.8
83.08624	8.2
85.06541	9.6
91.05492	10.6
93.07043	36.0
95.04948	4.5
95.08603	30.7
97.06525	7.2
97.10151	2.3
105.07039	20.1
107.04960	2.2
107.08591	38.5
109.06516	15.1
109.09456	3.1
109.10152	33.0
111.08085	9.5
113.09674	12.5
117.07009	5.7
119.08582	25.4
121.02859	7.0
121.06498	3.1
121.10143	38.0
121.97350	1.5
122.07260	2.1
123.08063	4.8
123.11709	17.8
125.09624	7.1
131.08578	6.3
133.10123	26.5
135.08025	4.4
135.11684	22.4
137.09634	11.2
139.11162	5.7
143.08556	2.7
145.10126	8.1
147.08078	3.8
147.11713	10.8
149.02336	100.0
149.09631	9.2
149.13257	9.2
151.11174	33.4
157.10184	3.9
159.11684	7.0
161.09630	4.7
161.13287	9.1
163.11197	2.3
163.14769	2.2
165.12723	4.0
171.11664	4.2
173.13304	2.5
175.11156	4.7
175.14804	22.6
185.13202	4.1
189.12726	4.7
189.16377	2.4
193.15921	2.4
199.14822	2.3
201.16376	10.5
203.14322	6.5
217.15723	2.4
217.19386	2.2
219.17358	2.0
233.19218	1.6
235.16934	1.8
241.19501	4.3
259.20575	8.2
277.03290	2.8
277.18457	3.9
277.21606	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	277.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	8.4
54.78004	6.2
55.01861	27.7
55.05504	16.8
57.02321	5.7
57.03436	6.6
57.07071	12.7
61.91303	6.5
67.05498	53.8
69.03416	28.0
69.07053	13.9
69.99730	34.1
70.14744	6.1
71.04990	31.4
73.02862	6.6
79.05480	53.3
81.03397	36.6
81.07047	58.5
83.04964	10.6
85.02896	10.5
85.06528	51.5
91.05473	69.3
93.07040	34.7
95.04961	30.4
95.08578	15.5
97.02863	13.3
97.06514	12.5
98.20827	7.9
98.97591	6.7
99.04491	6.6
101.27493	6.2
101.68648	6.6
103.05453	14.4
105.03394	9.7
105.07024	65.7
107.04932	26.9
107.08559	19.6
109.02863	15.8
109.06503	21.2
109.10125	9.0
111.04397	7.3
115.05467	14.7
116.98612	6.3
117.07018	30.6
119.04921	14.4
119.08569	30.8
121.06477	28.7
121.10106	12.2
123.92801	5.9
125.05995	9.7
127.03921	11.3
128.06209	23.2
129.06982	38.0
130.42601	6.3
131.04907	20.8
131.08546	28.5
133.06441	24.8
133.10126	16.0
133.24947	6.4
135.08034	13.6
137.05911	8.3
141.06975	17.9
142.07785	11.0
143.08539	31.0
144.05621	7.2
145.06479	26.0
145.10072	31.6
147.04407	22.2
147.07997	20.6
149.05931	6.8
149.09598	14.2
155.08568	14.3
157.06519	29.2
157.10141	15.2
159.08049	28.9
161.05971	13.3
161.09589	24.5
161.48883	7.6
162.98987	6.5
163.07486	10.3
165.06995	8.2
167.08594	8.8
169.10188	14.0
171.08069	18.8
173.09642	17.5
175.07576	17.4
175.11169	22.2
178.07811	7.1
179.08607	6.4
181.10184	14.0
183.11896	9.0
185.05972	9.8
185.09627	27.5
187.11145	23.3
189.09087	10.9
189.12697	11.6
192.09251	11.9
195.11658	7.6
199.11179	17.9
203.10651	53.7
205.10220	9.3
213.12697	18.1
213.16455	6.6
215.10558	10.3
217.08554	15.3
217.12190	12.8
219.11668	15.1
221.09639	10.5
221.80522	6.2
231.02905	12.6
231.13933	9.3
233.11732	18.3
234.13936	7.4
235.16928	15.5
241.12274	10.7
247.11131	33.4
248.11900	7.1
249.12622	7.8
249.16492	8.3
256.05075	6.4
259.02420	10.1
259.13254	26.8
262.13602	23.4
277.03424	21.9
277.14417	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1432
Annotation	Radulifolin B
Peak:m/z	Relative Intensity
53.03949	4.1
55.01866	19.6
55.05510	10.8
57.03418	3.6
57.07078	8.8
59.04981	2.2
61.02910	4.2
64.74042	1.8
65.03913	5.4
67.05185	1.8
67.05505	30.6
69.03091	2.0
69.03424	20.8
69.07043	6.7
70.06561	2.2
70.73289	4.0
71.01318	2.5
71.04639	2.4
71.04980	21.5
73.02911	3.9
77.03909	2.0
79.05063	2.5
79.05490	38.4
81.03414	19.1
81.07051	43.4
83.01325	2.3
83.04977	11.3
83.08606	3.2
85.02882	7.1
85.06094	2.3
85.06546	34.7
91.04892	3.1
91.05474	53.8
93.07033	23.8
95.01321	3.0
95.04969	25.6
95.08593	8.6
97.02879	6.7
97.06503	7.0
100.11230	2.8
103.05463	9.2
105.03397	2.8
105.07023	41.8
107.04963	21.1
107.08603	12.1
109.02878	9.7
109.06522	16.9
109.10149	4.1
111.04414	7.2
111.08051	2.9
113.05932	2.2
115.03898	8.3
115.05444	12.0
117.07013	25.0
119.04925	10.3
119.08573	22.1
120.08062	3.3
121.02800	2.5
121.06512	15.3
121.10126	5.6
123.04404	7.3
123.08042	5.4
125.05952	3.5
127.03926	12.8
128.06232	18.2
129.07005	34.2
130.07761	2.8
130.08632	6.6
131.04932	12.5
131.08557	21.9
133.02878	1.9
133.06490	24.0
133.10063	11.6
135.04390	5.7
135.08064	9.1
135.11639	4.0
137.05954	4.8
137.09615	2.5
141.06990	12.7
142.07790	9.5
143.08556	23.6
144.05693	3.5
145.06500	21.2
145.10132	18.0
146.07236	2.1
147.04442	9.3
147.08061	15.9
147.11638	4.5
149.06007	9.5
149.09583	8.8
152.06221	1.9
153.06963	5.9
154.07724	5.4
155.08522	9.5
156.09312	3.1
157.06488	16.3
157.10126	10.5
158.07242	4.2
159.08054	19.1
159.11679	5.4
161.05968	10.3
161.09628	15.9
161.13145	3.1
162.96825	3.4
163.07428	2.5
163.11137	5.5
165.06969	4.6
166.07741	3.1
167.07201	2.0
167.08548	7.0
168.04094	2.7
169.06465	3.0
169.10101	6.8
170.07256	3.0
171.08017	14.3
171.11685	11.8
173.05945	4.9
173.09656	12.1
175.07535	12.6
175.11182	9.1
177.05464	2.7
177.09071	4.1
179.07047	2.0
179.10715	3.6
180.09288	2.4
181.06396	2.6
181.10063	3.6
183.06488	5.2
183.07986	3.2
185.05916	2.8
185.09621	24.7
185.13255	4.5
186.10501	2.2
187.03914	4.0
187.07503	5.6
187.11119	12.5
189.09099	4.8
189.12727	8.6
189.15533	2.0
191.06996	4.8
191.10637	4.1
193.08583	4.0
193.12202	2.6
195.11714	5.1
197.09560	4.1
199.07419	4.9
199.11166	9.2
201.12727	2.9
203.07019	4.4
203.10657	37.1
205.12299	3.6
211.11275	2.2
213.12781	13.5
215.03320	4.5
215.10663	5.6
217.08582	8.6
217.12236	9.4
218.12885	3.5
219.13751	4.8
229.12270	7.2
231.02901	3.1
231.10118	4.0
231.13765	7.4
233.11729	12.2
235.16963	8.2
241.12273	10.6
247.13254	5.4
249.14766	2.4
259.02417	4.5
259.13318	27.6
277.03305	13.1
277.14307	100.0
277.17490	3.5
277.20981	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	277.0341
Annotation	5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene
Peak:m/z	Relative Intensity
50.49831	0.3
55.01855	0.5
55.05492	0.4
56.05012	0.3
57.03429	0.4
57.07060	0.8
69.03415	0.7
69.71279	1.8
76.02222	0.5
79.05476	0.6
81.03397	0.9
81.07050	1.1
85.01115	0.4
86.99035	0.4
91.05486	3.9
93.07035	0.4
95.04961	0.7
95.08616	0.7
97.06467	0.4
101.03904	0.3
102.05566	0.4
103.05466	3.9
105.03368	0.5
105.07030	0.6
107.04940	0.4
109.02873	1.9
109.06509	0.3
113.03993	0.4
116.01674	0.7
119.04913	2.9
121.06506	0.5
128.06236	0.6
129.03343	2.3
131.04909	2.9
133.02762	0.3
135.04382	0.3
141.03261	0.3
141.06955	0.4
145.02837	0.4
147.04411	5.7
147.57668	0.3
148.96997	0.3
149.02402	0.6
151.03879	0.4
156.08374	0.4
156.10164	0.6
157.02844	5.8
159.04404	0.9
161.02359	0.4
162.02197	0.6
173.02357	0.5
174.20155	0.3
175.02509	0.6
175.03911	7.2
179.10603	0.3
185.02336	6.1
187.03905	11.0
187.05540	0.7
189.01921	0.5
189.09096	0.5
192.35965	0.3
193.05051	0.4
197.02330	0.4
199.07600	0.3
203.03387	11.7
213.01839	9.3
215.01460	0.6
215.03392	7.2
217.08597	0.4
221.04443	0.4
230.02156	0.6
231.02876	41.1
232.03152	0.8
235.16969	1.2
241.01282	7.3
259.02377	52.5
260.02789	1.0
277.03421	100.0
277.17999	1.1
278.03787	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0343
Annotation	5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene
Peak:m/z	Relative Intensity
57.07067	1.3
59.10174	0.4
71.56702	0.8
74.93983	0.4
82.60522	0.4
82.64560	0.4
91.05490	3.5
95.04965	0.7
101.03939	0.5
103.05444	4.0
105.03378	0.5
119.04951	2.3
127.03901	0.5
129.03325	2.5
131.04913	2.1
132.95877	0.4
133.02844	0.6
147.04420	5.0
149.02374	0.5
157.02859	6.1
159.04405	1.0
163.03951	0.6
168.68503	0.4
173.02307	0.6
175.03912	7.0
175.07458	0.4
179.10690	0.5
185.02344	6.8
187.03905	10.2
189.01851	0.7
189.05484	0.6
200.01045	0.4
203.03404	10.7
203.05219	0.8
204.73318	0.4
213.01807	9.7
215.03374	6.9
217.01323	1.3
231.02879	42.1
232.03270	0.5
235.02423	0.7
235.16939	1.6
241.01308	7.1
259.02383	49.5
260.02789	1.5
277.03430	100.0
277.18054	1.7
278.03799	1.9
299.33582	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08642	4.2
53.95259	3.5
56.96551	14.5
61.02906	3.4
69.03418	8.2
71.57091	6.5
71.57447	5.4
76.97704	3.9
81.03393	6.5
85.02927	8.6
97.02867	10.3
98.97601	18.0
101.00893	29.9
109.02873	6.4
116.98611	8.9
119.01926	100.0
121.01673	10.1
128.98584	5.1
131.01869	28.3
133.01619	5.9
133.03484	11.1
134.99597	5.8
137.02966	21.8
139.02484	4.1
143.01909	16.4
145.03455	24.7
147.03236	7.1
149.02975	4.0
155.01868	15.7
157.03490	20.4
161.02950	74.6
163.04538	5.3
167.01913	5.3
171.03265	5.4
173.02943	25.7
175.02725	3.9
175.04538	16.4
176.08154	5.0
177.00847	5.6
179.03946	4.9
179.58630	3.9
184.04587	5.0
184.88213	3.9
185.02957	31.5
187.04517	10.6
191.03842	4.8
197.02974	16.8
203.03880	12.4
215.04037	7.7
217.01953	5.2
217.03789	4.9
221.05060	8.5
227.03993	6.1
234.99034	3.9
245.05055	34.9
263.06046	7.1
277.03210	33.5
277.06918	25.4
277.08923	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	277.008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77868	7.0
56.96557	12.4
57.07077	12.6
66.92026	6.5
70.12950	25.2
70.13363	15.9
98.97585	45.9
101.00887	8.7
116.98672	41.4
116.99325	8.3
119.01930	100.0
128.38278	6.9
133.03485	10.0
134.99660	29.6
137.02959	30.6
143.01877	11.1
145.03511	8.1
157.03485	28.2
161.02950	43.9
163.03886	60.2
175.04535	30.5
177.00923	41.9
185.02931	17.3
187.04489	9.4
203.04059	10.5
219.02031	25.0
235.16966	23.9
236.35930	8.7
258.99777	13.3
277.00882	31.3
277.05188	13.0
277.08047	41.7
277.17957	14.1
295.06381	8.0
295.08859	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	277.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	28.8
66.35339	20.5
69.96065	85.6
69.96474	37.1
74.13087	20.0
84.22309	20.8
84.64438	24.0
84.96024	24.3
85.15737	19.4
91.10238	22.4
94.38889	20.9
109.12025	21.0
116.98653	22.4
117.08230	22.0
119.01927	100.0
119.87287	20.0
131.01944	27.3
133.01704	23.3
133.29034	20.8
145.03473	27.4
161.02974	54.6
173.03027	33.1
175.04530	23.3
176.08084	25.6
185.02864	42.2
197.02931	30.4
224.54169	23.6
245.04961	57.4
277.03265	87.3
277.06207	24.6
277.09183	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	277.032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	6.0
55.05497	12.8
56.96296	5.7
56.96563	72.7
57.03434	7.8
61.02923	9.9
67.05473	5.6
69.03433	30.6
70.87479	12.1
70.87824	4.9
70.98090	6.2
71.04980	5.4
73.02905	8.2
81.03407	19.8
83.04971	28.0
84.24015	4.4
84.96020	21.1
85.02895	35.5
95.04966	7.7
97.02908	30.2
98.97579	100.0
99.04446	8.6
101.00865	23.1
109.02873	9.7
110.97552	18.3
111.04432	7.0
112.99099	7.7
115.02419	5.4
116.07101	9.7
116.98623	67.0
119.01911	71.0
124.93105	4.3
127.02381	4.6
127.03910	5.6
128.98602	43.6
131.00166	15.1
131.01863	26.3
133.01662	4.3
133.03470	10.1
134.05978	6.4
134.99701	23.4
135.74326	4.3
137.02898	19.3
143.00211	7.7
143.01859	21.9
145.03429	23.2
146.99677	32.7
148.03943	4.7
149.01195	12.3
149.02853	4.8
151.02805	5.8
155.01865	11.9
157.03502	11.2
158.05006	23.3
158.55080	5.9
158.99652	24.2
159.04935	5.0
161.01314	9.1
161.02937	98.0
162.99178	11.1
165.00778	7.1
167.05557	5.9
170.99680	7.7
171.05022	10.7
173.02948	17.4
174.03615	29.4
175.04337	17.6
176.08188	40.3
177.00685	28.7
183.04128	44.8
183.54291	6.0
185.02783	14.3
187.04425	9.2
189.00705	10.6
189.06032	10.5
191.03978	8.2
192.04706	5.5
197.02946	8.0
200.04370	4.5
210.94731	4.4
213.01892	6.9
217.03685	4.9
219.01778	24.7
221.05087	7.2
231.02887	33.7
232.07144	14.3
237.02788	73.8
245.05145	31.9
255.03976	6.4
259.02396	39.5
277.03436	71.3
277.07321	39.8
277.09781	5.1
277.17892	5.4
295.06903	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53545	1.0
66.71751	1.1
67.05505	1.3
69.03420	2.2
71.04988	1.5
79.05469	1.5
85.02915	2.2
85.06582	1.3
91.05477	2.6
98.21500	2.8
98.97575	1.5
107.04953	1.4
113.05984	2.0
115.05431	1.5
127.03921	2.4
127.52023	1.2
141.07005	2.1
147.04436	1.7
153.01888	6.1
161.05913	1.7
163.03841	1.6
169.06512	2.5
175.03952	1.4
185.06041	1.1
186.06770	1.9
191.03432	3.2
197.06026	2.1
201.00610	1.6
203.03389	1.8
205.92731	1.2
215.07025	2.7
219.02963	2.8
229.05078	1.2
231.02945	1.3
231.06627	1.3
247.02249	5.5
247.09544	1.3
275.01843	3.3
275.11020	100.0
276.11469	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Dicranin
Peak:m/z	Relative Intensity
55.01855	6.1
55.05512	20.5
56.02715	2.6
65.03952	3.3
67.05494	24.5
69.07051	11.6
70.83669	8.5
71.21247	2.4
79.05495	25.7
81.03398	2.7
81.07063	18.7
83.08607	9.9
91.05491	40.3
93.07039	27.3
95.04976	5.7
95.08624	19.3
97.06535	5.1
97.10165	5.0
103.05444	3.5
105.07027	53.0
107.08582	19.0
109.06492	3.6
109.10132	8.2
111.08044	4.1
117.07048	13.2
119.07786	4.2
119.08570	39.0
121.10118	11.1
123.08069	5.6
123.08973	2.5
131.08524	18.1
133.10101	35.3
135.08025	4.2
135.11647	4.7
137.09607	5.7
143.08607	3.6
145.10139	18.5
147.07997	3.6
147.11636	18.3
149.09616	13.9
151.11177	4.5
159.11673	10.8
161.13293	8.5
163.11189	11.3
169.10085	5.3
173.13319	6.0
175.11180	3.7
177.12730	5.1
183.11652	4.8
189.12776	3.3
197.13242	4.3
229.19609	5.6
239.17903	11.2
247.20253	3.1
257.19022	13.4
275.20053	100.0
292.72733	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	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.05511	22.3
67.05504	23.8
68.35491	8.7
69.07059	12.2
79.05491	25.9
81.07062	20.6
83.08647	10.7
91.05489	40.7
93.07032	37.0
95.08590	17.0
99.53249	7.7
105.07023	53.6
107.08588	28.0
117.06980	9.6
119.08601	54.5
131.08598	26.6
133.10161	42.7
145.10143	17.3
147.11684	17.5
149.09558	9.9
159.11714	12.0
161.13306	9.1
227.54999	9.2
229.32654	11.2
239.18040	14.5
257.19009	10.5
265.82794	10.5
275.20068	100.0
277.59042	8.4
285.39465	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22918	1.7
53.03932	5.1
55.05269	2.7
55.05510	37.5
55.12087	1.6
56.96552	6.6
57.03433	2.2
57.07077	19.6
64.28992	1.6
64.95576	1.7
67.05502	41.4
69.03417	5.3
69.07066	55.9
69.94981	9.8
71.04983	1.9
71.08615	9.4
79.05490	33.7
81.03417	15.5
81.07055	100.0
82.07370	2.1
83.04968	3.7
83.08618	25.7
85.02884	3.0
85.06537	2.9
85.10157	4.9
85.29196	1.6
91.05471	19.3
93.07043	73.2
95.04950	7.1
95.08607	94.4
96.57674	1.7
97.06540	1.9
97.10171	15.3
98.97565	4.9
99.04410	2.4
103.05461	5.9
105.07030	21.1
107.04949	18.9
107.08594	77.3
109.02852	5.3
109.06531	4.1
109.10152	64.8
109.10781	1.0
109.10918	1.9
110.10487	2.0
111.11707	5.8
116.98606	5.1
117.07019	4.0
119.08587	15.6
121.06451	2.7
121.09325	3.3
121.10142	50.6
123.08089	3.1
123.11714	28.7
125.13225	1.8
129.07016	3.2
130.07826	2.1
131.04926	16.2
131.08560	10.1
133.10118	9.5
134.99605	3.1
135.11682	39.6
137.09641	3.3
137.13290	10.7
143.08533	3.6
145.10104	8.4
147.11655	7.7
149.05971	2.7
149.09586	1.8
149.13257	71.0
151.14777	7.6
155.08490	2.4
157.10159	1.9
159.08046	2.4
159.11653	7.9
161.09604	2.7
161.13240	5.3
163.11095	2.9
163.14807	33.5
165.16388	6.6
173.09660	2.3
173.13312	3.8
175.07504	2.5
175.11107	2.3
175.14767	4.4
177.00606	3.3
177.16382	16.8
179.17880	5.8
183.11717	2.1
187.11180	2.4
187.14809	6.1
191.17947	8.9
197.13298	1.8
201.09045	1.8
201.16364	4.2
205.19514	8.6
215.17940	2.1
219.21077	10.8
229.15834	2.5
257.15359	3.5
257.18994	4.3
257.22495	2.9
275.09189	9.2
275.16705	4.0
275.20071	18.0
275.23767	6.4
275.27325	61.9
297.40475	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0912
Annotation	Methysticin
Peak:m/z	Relative Intensity
55.01864	12.5
56.96561	7.9
61.72299	3.8
67.05492	5.2
69.03414	6.5
70.48117	12.3
71.05027	4.0
79.05457	4.7
86.43771	3.9
89.03896	4.8
91.05470	13.4
93.07030	6.8
95.04966	5.4
98.97593	5.4
103.05443	5.6
115.05451	31.2
116.06172	4.6
117.07004	9.3
123.64224	3.9
123.80887	4.1
128.06187	4.8
128.85713	3.9
129.03316	5.3
129.06961	16.9
131.04904	12.3
132.05698	7.8
134.48470	4.1
134.99664	8.1
135.04416	5.7
137.06079	4.5
140.69765	4.1
141.06992	52.1
143.04927	11.9
144.05679	17.9
145.06468	12.3
146.03622	12.6
147.04385	10.1
153.01843	12.0
153.07008	5.6
155.04849	8.5
157.02814	13.2
157.06432	21.4
158.07266	10.0
159.04384	6.4
159.08061	15.6
160.05162	6.5
161.05917	21.1
162.75174	4.6
163.03836	6.7
165.07005	8.8
168.05679	13.3
169.06503	61.0
171.04427	20.7
172.05101	5.0
173.06006	13.8
175.07553	9.0
176.04651	5.8
177.05478	12.0
181.06544	5.3
183.08060	10.0
185.06010	10.3
186.06726	26.2
187.07527	27.2
188.04605	7.4
189.05531	31.0
190.06149	6.9
191.07025	14.7
196.05322	4.0
197.05984	53.4
198.06578	5.4
199.03976	6.9
200.04681	13.7
201.05431	7.6
201.09065	15.7
203.03407	4.5
203.06960	22.7
204.07739	13.2
205.08580	5.9
209.03282	6.0
211.07510	6.9
213.05490	10.5
214.06181	23.9
215.07011	50.3
217.04839	9.1
226.06151	7.6
229.04979	10.3
229.08546	31.5
231.06523	28.5
232.07253	11.6
242.05777	12.6
243.06528	27.3
245.04422	10.4
247.02702	11.4
247.09669	29.5
257.08005	27.7
260.06766	37.3
275.01871	12.1
275.05988	8.9
275.09052	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0912
Annotation	Phloretin
Peak:m/z	Relative Intensity
51.02378	0.2
53.03938	0.6
55.01869	0.2
56.78422	0.1
61.93549	0.1
67.01858	0.3
67.05484	0.2
70.70092	0.5
77.03900	0.3
78.88839	0.2
79.05484	1.0
81.07040	0.1
85.02895	0.4
88.18541	0.1
91.05437	0.2
93.07030	0.4
93.23188	0.1
95.04968	1.6
95.08585	0.3
95.72208	0.1
98.20687	0.1
100.98650	0.1
103.05437	0.2
104.56804	0.1
105.04473	0.3
105.07011	0.1
107.04946	100.0
108.05291	1.0
121.06467	0.4
121.10155	0.2
123.04408	0.4
127.03914	1.0
131.08588	0.2
131.46074	0.2
133.10094	0.2
149.05965	0.7
150.05534	0.2
151.03900	1.7
169.04955	9.7
181.04993	0.2
275.09143	1.2
275.13736	0.3
280.55618	0.2
287.67786	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19931	3.3
56.96552	15.6
62.92451	3.4
69.11324	3.8
71.56752	5.8
94.05807	3.9
98.97585	92.9
101.00868	4.2
104.81634	3.7
116.98618	100.0
119.01896	12.6
127.29025	3.4
134.99670	66.7
137.02966	8.4
145.03467	7.0
153.00714	11.4
169.03404	5.7
177.00974	4.9
185.03053	4.0
187.04546	9.6
190.95399	10.7
208.96179	4.9
216.98752	5.5
219.01944	5.1
220.02165	4.1
232.96436	10.1
234.99799	12.7
247.52870	13.4
250.97270	5.4
256.53235	4.6
256.96579	12.2
261.02972	4.3
274.97491	90.1
275.06046	9.3
289.01318	4.1
292.98486	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13434	0.8
57.32046	0.7
62.61935	0.7
65.03911	1.4
67.05490	2.7
70.09929	3.5
82.99859	1.3
83.04974	2.1
86.99345	1.0
87.40219	0.7
93.03400	2.3
95.04957	3.2
97.02871	1.2
101.00866	14.5
103.02436	1.3
105.00356	0.9
109.01371	1.2
111.04413	1.1
114.65580	0.8
114.99429	0.8
119.01916	71.4
120.02035	2.5
121.02837	5.5
127.02393	7.8
129.03944	1.0
131.01894	1.5
133.03456	2.7
137.02948	22.8
139.02359	1.1
139.03827	1.1
139.37943	0.7
142.03459	1.6
143.01918	3.4
143.05534	1.2
145.03458	58.9
146.03636	1.9
147.01414	1.1
147.05017	1.2
153.03949	1.6
157.03452	10.6
159.05060	1.5
161.02937	6.2
161.06557	1.3
163.04507	5.2
167.01945	0.8
169.03455	51.9
170.03621	2.3
171.05032	10.3
173.02881	1.2
175.04532	5.1
179.01984	1.4
185.02948	20.1
185.06575	1.1
187.04509	83.1
188.04630	3.9
189.02419	2.3
189.06108	2.4
195.05038	5.6
197.02927	10.1
203.04015	8.3
205.05583	14.6
210.06131	3.7
211.04515	3.7
213.06062	3.3
215.04002	18.7
216.04201	1.0
221.02962	4.2
229.05569	52.4
230.05647	2.6
231.03525	3.3
231.07233	0.9
239.04019	3.1
247.06625	38.6
248.06813	1.7
249.04530	3.0
257.05069	5.8
270.08194	1.3
275.06104	100.0
276.06177	4.6
293.07172	28.3
293.10464	1.6
294.07315	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2212
Annotation	androstenone
Peak:m/z	Relative Intensity
55.01875	6.2
55.04842	5.2
55.05501	8.6
57.07057	9.8
67.05502	16.5
69.07045	14.8
70.83280	14.3
71.04974	18.9
79.05466	11.5
81.07039	41.2
83.08622	7.3
91.05476	20.5
93.07040	31.4
95.08604	29.1
95.99590	6.0
105.07034	51.2
107.08591	29.3
109.06495	12.5
109.10119	14.4
111.08091	8.9
113.09613	8.2
117.07002	6.4
119.08584	58.8
121.10145	24.0
123.11675	12.4
131.08534	28.4
133.10123	11.8
135.08011	8.7
135.11739	5.6
143.08543	10.6
145.10114	35.8
146.56180	4.8
147.11670	19.1
149.13205	5.0
157.10216	8.5
158.44867	6.0
159.11682	44.5
161.13235	17.4
171.11693	11.3
173.09737	5.9
173.13255	27.1
175.14816	8.0
177.12753	8.1
185.13266	19.2
187.14806	5.7
199.14813	20.3
203.17911	6.2
213.16396	21.3
215.17961	69.7
217.15810	8.4
229.19551	15.0
255.21062	56.2
273.18546	27.3
273.22137	100.0
273.29816	21.4
274.27429	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	273.2576
Annotation	beta-Springene
Peak:m/z	Relative Intensity
53.03944	3.9
55.01855	1.7
55.05264	2.1
55.05508	28.8
56.96560	17.4
57.07076	14.9
64.34563	1.4
65.03937	2.6
67.05502	37.7
69.03411	1.5
69.07064	47.3
69.41040	5.0
69.41459	8.6
70.07361	1.5
71.04955	2.0
71.08635	7.5
72.24265	1.4
76.34801	1.3
79.05485	24.1
81.07051	78.4
83.08616	21.5
84.96003	1.6
85.02904	1.8
85.10188	2.4
91.05470	26.3
93.06474	2.8
93.07041	49.1
95.04958	5.6
95.08603	92.0
97.10159	12.3
97.35600	1.7
98.97581	25.6
99.04462	1.5
103.05463	1.6
105.07024	49.4
107.08593	48.6
109.06506	3.1
109.10154	49.5
111.08141	1.4
111.11707	4.7
116.98615	20.6
117.06962	2.0
119.04980	1.7
119.08574	36.4
121.06487	4.2
121.10141	32.3
123.11691	21.7
128.98586	1.5
129.06996	1.7
131.08531	6.3
133.10126	44.0
134.99675	12.3
135.08058	1.8
135.11708	21.7
137.09622	2.3
137.13249	6.3
140.22884	1.4
143.08560	2.6
145.10129	4.6
146.99623	2.0
147.04382	3.0
147.11676	36.7
149.05957	5.2
149.13246	24.0
151.07472	1.9
151.14818	4.6
152.06131	3.3
153.00720	2.0
153.01834	4.0
153.06981	7.3
157.10124	2.5
158.99669	7.6
159.11661	4.0
161.13254	23.4
163.14812	16.4
165.00728	1.5
165.16321	3.4
168.11578	1.8
169.10083	1.9
171.11658	2.0
173.09709	1.8
173.13210	1.7
174.11635	4.4
175.14812	16.4
177.00722	14.8
177.12209	2.0
177.16385	12.1
179.17880	3.1
181.06512	8.4
182.06844	1.7
183.12186	6.0
187.14830	2.7
189.16350	16.2
191.17938	6.7
192.12700	7.8
192.62805	1.9
194.63077	1.7
195.08093	1.6
198.12869	1.8
201.13231	1.9
203.17943	13.0
209.06047	1.5
211.01509	1.7
213.09074	5.2
213.13231	2.0
217.19461	18.0
219.01701	1.8
227.10976	1.6
227.17979	1.8
231.21088	3.5
237.02835	1.7
241.08583	4.3
249.14223	5.9
255.14359	1.7
255.17404	1.9
258.14804	4.3
264.14838	4.1
273.07642	2.8
273.10712	1.8
273.15222	4.0
273.18542	3.9
273.22711	4.2
273.25745	100.0
274.26221	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	273.1122
Annotation	Eulophiol
Peak:m/z	Relative Intensity
53.03942	4.2
55.01871	5.0
55.05502	3.8
56.96552	5.1
67.05499	4.0
69.03430	8.7
69.07084	2.7
69.48339	7.2
69.48772	16.1
70.06534	2.6
77.03897	2.3
79.05509	3.0
81.03416	3.9
83.04981	5.6
84.08138	2.8
85.02905	6.8
91.05499	13.4
93.07023	4.0
95.04960	11.9
97.02870	5.7
103.05460	4.1
107.04943	6.0
109.02906	6.8
111.04478	3.6
114.03770	5.8
115.05444	4.4
116.98588	3.3
119.04940	10.2
121.06512	32.6
123.04468	9.8
127.04008	3.0
131.04984	2.9
133.02913	4.7
134.03656	6.1
134.99657	3.6
135.04384	5.4
137.06006	13.0
141.06976	4.7
142.07817	3.4
145.06509	2.8
147.04399	3.7
148.05182	4.4
149.05969	49.0
151.07550	31.6
152.06207	22.3
153.01834	5.8
153.06996	95.8
156.10632	2.4
163.07550	4.4
165.06955	5.7
166.07623	2.8
167.08505	7.4
169.06508	13.1
170.07303	11.3
171.04385	5.0
175.07472	4.0
177.09138	4.0
180.05699	6.0
181.06477	100.0
182.07138	10.3
183.07906	2.9
189.05449	3.5
195.07991	14.3
197.06003	6.1
198.06714	19.0
199.07494	5.0
208.04868	4.2
209.05936	19.5
210.06541	3.2
212.07854	5.5
213.09113	65.4
217.04942	4.6
223.07561	6.4
226.06213	4.4
227.07124	3.5
241.08612	66.0
242.09323	6.2
245.04364	5.3
258.08942	3.3
273.04236	6.7
273.11157	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0755
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.01858	0.3
55.05499	0.5
55.66770	0.3
56.96561	0.4
65.03915	0.3
67.01865	3.0
67.05504	0.7
68.99780	2.0
69.03423	2.2
69.07059	0.5
74.42976	0.3
79.05481	0.7
81.03404	0.4
81.07062	0.8
83.01351	0.5
83.04989	0.3
88.88788	0.3
91.05478	9.0
93.07037	1.0
95.04972	2.7
95.08593	0.9
97.02888	1.6
98.97584	0.6
105.07050	0.5
107.04959	2.7
107.08587	1.0
109.02896	0.3
109.06524	0.3
109.10168	0.5
109.85242	0.3
111.00806	0.9
119.04935	18.3
119.08604	0.5
121.02847	0.6
121.06506	1.0
123.04429	3.9
129.01880	0.4
129.15485	0.3
129.26270	0.3
131.08611	0.3
133.06473	0.3
133.10126	0.7
147.04405	42.8
147.11676	0.5
148.04736	0.4
149.75380	0.3
151.03992	0.5
153.01820	100.0
154.02173	1.6
159.07918	0.3
171.02866	3.9
179.03384	0.7
181.06418	0.8
185.06078	0.3
189.05453	0.8
213.09186	0.4
217.19421	0.3
231.06447	0.6
241.08549	0.7
255.06424	0.8
273.07556	55.7
273.25748	0.8
274.07779	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0757
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
53.03934	0.4
55.01855	0.6
55.05505	0.9
59.08231	0.3
67.01864	6.2
67.05500	1.3
68.99782	3.3
69.03422	2.5
69.07053	0.5
70.70415	0.9
70.70773	0.5
75.04475	0.3
79.01850	0.6
81.03411	0.8
81.07057	1.4
83.01329	0.8
83.04962	0.5
83.08608	0.4
85.02895	0.5
85.06519	0.4
91.04904	0.4
91.05479	7.8
91.21368	0.3
91.30717	0.3
93.07030	1.1
95.04961	2.5
95.08583	0.7
97.02867	1.9
103.05455	0.4
105.07023	1.2
106.33936	0.3
107.04945	2.5
109.06500	0.4
110.45441	0.4
111.00780	0.4
111.04516	0.5
115.05430	0.5
117.07017	0.5
119.04943	17.3
119.08578	0.7
120.05220	0.5
120.52652	0.3
121.02856	1.3
121.06507	2.2
121.10125	0.5
123.04421	4.0
129.06967	0.4
131.08540	0.6
133.06432	0.4
135.11722	0.4
136.98442	0.4
137.05934	0.8
145.06387	0.5
145.10153	0.6
147.04404	39.8
148.04779	0.6
149.05983	1.7
151.03873	0.8
151.07524	0.9
152.06216	0.9
153.01822	100.0
153.06915	2.4
154.02147	0.9
157.06435	0.8
157.10115	0.5
159.11668	0.7
161.05974	0.8
164.61971	0.4
169.06538	0.8
169.53954	0.4
170.07182	0.5
171.02890	29.5
171.11728	0.5
179.03419	1.3
181.06459	3.0
182.07294	0.4
185.13261	0.3
189.05484	0.8
195.08011	0.4
199.07603	0.6
199.14709	0.4
209.06071	0.8
213.09102	1.9
217.01418	0.5
217.04904	0.4
225.28552	0.3
227.10559	0.4
231.06557	0.7
241.08604	1.9
245.04472	0.9
255.06551	1.4
270.20499	0.4
273.07565	58.9
273.18542	1.5
273.22073	0.7
274.07916	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0756
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
51.56172	0.4
55.01874	0.7
55.05499	1.2
56.96575	0.7
57.07066	0.7
65.03946	0.6
67.01864	3.4
67.05495	2.3
68.99784	1.8
69.03424	1.9
69.07061	2.4
69.07382	0.4
69.41134	3.2
71.04990	0.8
71.08620	0.4
79.05478	1.4
81.03429	0.5
81.07058	4.3
83.01356	0.5
83.08610	0.9
83.28416	0.4
84.96019	0.5
85.06545	0.5
91.05478	10.7
93.07040	2.9
95.04960	3.0
95.08610	3.5
97.02900	1.0
98.20760	0.9
98.97588	0.7
105.07021	3.8
107.04961	2.2
107.08600	2.4
109.06525	1.1
109.10146	2.9
111.00805	0.7
111.11673	0.4
116.98636	0.9
117.06995	1.0
119.04939	19.1
119.08585	3.1
121.06512	1.5
121.10146	2.2
123.04424	4.6
123.11743	1.1
128.06245	0.7
129.07005	0.9
131.08551	1.2
133.06535	0.5
133.10120	2.4
134.99704	0.5
135.08093	0.6
135.11693	1.4
141.06940	0.5
143.08572	1.4
145.06467	0.6
145.10114	1.6
147.04408	44.2
147.11679	1.3
148.04759	0.7
149.05983	1.2
149.13208	0.7
151.03912	0.4
151.07553	0.6
152.06247	1.0
153.01825	100.0
153.06938	2.8
154.02133	1.2
156.09390	0.6
157.06485	0.4
157.10165	1.8
159.11714	1.4
161.09596	0.6
161.13269	1.1
163.14871	0.6
165.06969	0.6
169.06444	0.7
169.10030	0.5
171.02890	5.1
171.11679	1.2
173.09607	0.5
177.00650	0.5
177.16289	0.5
179.03400	0.7
181.06454	3.0
181.10072	0.7
182.10942	0.5
183.08075	0.4
185.09630	0.5
185.13185	0.5
187.14783	0.7
189.05492	1.4
189.12653	0.7
191.14400	0.5
195.08015	0.5
197.05896	0.5
197.13170	1.0
199.11131	0.7
199.14908	0.8
207.06606	0.5
209.06018	0.8
213.09172	1.7
213.16438	1.1
227.10692	0.4
231.06555	0.6
241.08594	1.7
255.06534	0.7
255.17480	1.6
255.21077	0.9
273.07571	63.1
273.18576	3.1
273.22144	1.7
273.25732	1.8
274.07922	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1129
Annotation	Deidaclin
Peak:m/z	Relative Intensity
53.03940	0.8
55.01862	1.1
55.05501	1.7
56.96296	0.6
56.96565	10.8
57.03439	2.6
58.06596	0.5
59.00767	0.4
59.05005	0.6
61.02925	3.1
65.03934	3.7
68.05038	0.5
69.03422	6.0
69.88130	0.9
69.88547	1.5
70.06589	1.2
71.01350	0.5
71.04988	1.0
73.00191	0.4
73.02910	3.3
79.05482	0.5
80.05019	0.9
81.03440	2.6
81.07043	0.8
83.04978	0.5
84.08119	0.5
84.96018	1.5
85.02901	12.6
86.06053	1.1
87.04468	1.3
87.15854	0.4
92.05002	36.8
92.94363	0.5
93.05785	3.9
94.06573	6.1
95.06107	0.9
96.08134	7.5
97.02887	6.5
98.97581	5.6
99.04466	1.3
101.02377	0.4
103.03986	0.4
106.02861	0.8
109.02885	1.9
110.06039	100.0
110.07098	3.9
110.97567	0.9
111.06339	1.1
112.99139	0.8
116.98617	5.8
118.02787	0.5
119.00159	0.5
119.01855	2.2
127.00716	0.5
127.03928	3.4
128.02267	0.8
128.98601	1.5
131.00127	2.1
131.01859	0.6
133.01663	0.4
133.03423	0.5
134.99664	4.0
143.00160	2.5
143.01823	0.6
145.01743	1.0
145.03468	0.7
145.04941	1.4
146.99641	1.5
148.07681	0.5
149.01236	2.3
152.07033	2.0
153.00674	0.6
153.01817	3.3
153.05760	0.5
155.04665	2.3
156.07675	0.6
158.99654	1.2
159.03209	0.5
161.01224	3.7
161.02518	0.5
161.06482	0.8
162.06207	0.7
162.99202	0.6
163.02769	0.8
163.04419	0.6
164.05197	1.2
169.04346	1.5
170.05235	0.6
170.99564	0.6
174.55142	0.4
176.05185	0.6
177.00725	2.1
177.04137	1.1
178.04924	5.8
179.02316	0.7
182.03333	0.6
185.01180	0.8
187.02766	1.0
189.00697	2.0
189.55699	1.1
191.03883	1.2
191.05791	0.5
193.00169	0.4
203.02229	0.7
203.03989	0.6
205.00198	0.9
208.96420	0.6
211.04962	0.6
213.00583	0.7
219.01788	1.1
226.15465	1.1
227.06668	0.7
231.01758	0.6
232.96472	0.7
235.04955	0.6
237.02809	1.4
248.99149	4.0
249.02780	1.4
250.97270	0.5
254.10240	2.2
254.14944	0.9
267.00146	3.3
267.03848	1.6
272.11264	19.2
272.15732	2.4
273.02835	0.5
273.09286	3.4
279.03680	0.5
285.04907	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.01871	7.9
55.05509	49.4
56.96557	5.6
57.07067	12.3
61.59496	3.3
65.03941	5.8
67.05505	45.3
69.03429	5.5
69.07067	67.5
70.84183	8.2
71.04991	4.3
71.08621	5.4
79.05499	23.4
81.07059	69.7
83.04987	5.3
83.08624	37.7
85.06535	17.6
91.05478	39.8
92.81637	3.3
93.07047	43.1
95.04974	10.1
95.08604	55.9
97.02888	4.3
97.06534	8.7
97.10175	31.2
98.97565	7.2
105.07039	32.5
107.04922	4.7
107.08604	23.6
109.06548	6.7
109.10147	25.1
111.08088	9.4
111.11684	11.3
115.07566	3.9
116.98602	10.0
119.04935	17.3
119.08572	24.8
121.06495	9.1
121.10143	27.9
123.11710	15.7
129.06990	8.0
131.08588	7.4
133.10130	29.4
135.11676	22.5
137.05992	7.2
137.09589	4.2
141.06975	10.7
143.08562	6.8
145.06520	4.3
145.10152	14.6
147.11673	18.1
149.05992	5.0
149.13287	12.3
150.06767	4.3
151.11127	3.5
152.06232	11.5
153.06989	41.7
154.07828	5.3
155.08553	25.4
157.06459	5.0
157.10159	9.5
159.11717	13.3
161.13264	13.9
164.07031	3.3
165.06993	100.0
165.12830	5.6
166.07498	4.6
167.03531	3.6
168.05690	25.3
169.06456	8.0
169.10156	7.1
170.07263	4.0
171.11694	10.1
173.13269	11.0
175.14799	8.2
181.06442	26.5
182.07198	9.4
183.08066	56.1
185.13298	5.4
187.14857	4.9
189.16348	4.8
193.06296	18.3
194.12885	4.1
196.05209	12.3
197.05977	11.4
197.09666	5.6
198.06857	5.0
200.08298	4.7
207.04420	6.1
209.06079	7.0
210.06837	6.7
211.07559	58.7
212.08302	6.5
215.10773	4.1
215.17999	5.4
217.19571	20.5
219.01826	3.5
221.05956	15.1
225.09209	7.2
228.07762	7.1
229.12273	3.6
235.03442	3.8
235.20595	9.7
239.07007	12.7
242.09412	3.2
243.10217	15.6
253.21747	6.1
271.06497	8.0
271.09613	97.4
271.13031	5.8
271.17010	11.0
271.20627	17.2
271.24188	32.1
272.10162	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	271.2419
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.03911	1.6
55.05503	8.5
56.96562	1.4
57.07060	2.1
62.62862	1.2
67.05188	1.8
67.05505	24.8
68.05816	1.4
69.06728	1.8
69.07066	18.2
69.25149	6.7
69.25583	7.3
71.08631	1.5
79.05482	10.7
81.07053	37.7
83.08615	6.2
88.07639	1.8
91.05473	10.8
93.07037	20.6
95.08603	42.9
97.10145	4.8
98.21488	3.3
100.51039	1.3
105.07024	24.3
107.07865	2.4
107.08583	32.4
109.06516	2.5
109.10152	57.8
111.11643	1.4
117.07056	6.2
119.07797	2.4
119.08576	27.2
121.10133	23.2
123.08061	1.5
123.11713	11.9
129.06937	2.4
131.08566	8.5
133.10109	19.0
134.82018	1.5
135.01010	1.3
135.07930	1.4
135.11694	9.7
137.13239	2.7
143.08533	2.6
144.09248	1.8
145.10127	12.9
147.11693	15.9
148.21439	1.4
149.09595	1.3
149.13251	24.4
151.11153	1.4
153.06973	1.5
157.10092	2.4
159.11703	12.0
161.13261	18.1
163.14813	27.2
169.10260	1.9
171.11690	3.1
173.13242	8.1
175.14796	17.8
177.16367	6.0
183.11685	1.6
185.13199	1.6
187.14763	7.7
189.16351	9.0
201.16373	15.1
203.17818	1.9
211.14790	1.5
213.16335	2.0
215.17920	16.3
229.15924	1.6
229.19522	3.4
271.20755	6.6
271.24182	100.0
271.65634	1.4
272.24530	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1691
Annotation	Trenbolone
Peak:m/z	Relative Intensity
50.79367	1.5
53.03954	1.7
55.01876	11.6
55.05514	10.1
57.03430	3.1
57.07072	4.2
58.20084	1.6
65.03931	2.1
67.05502	14.7
69.03418	1.8
69.07069	5.1
69.87817	6.9
69.88229	2.7
71.04977	3.2
71.08618	2.4
79.05476	12.9
81.03415	1.9
81.07063	12.8
83.04979	7.7
91.05479	27.4
93.07036	7.4
95.04968	5.7
95.08588	5.1
97.06501	2.6
99.08091	2.1
103.05463	4.8
105.03375	2.3
105.07035	15.4
107.04937	15.3
107.07950	1.5
107.08596	6.3
109.06533	2.8
109.10167	7.5
115.05454	6.5
116.06211	2.8
117.07023	26.0
119.04935	3.7
119.08566	5.7
121.06506	5.1
121.10134	2.4
123.08070	2.8
128.06256	5.3
129.07014	20.3
130.07751	2.7
131.04935	5.5
131.08569	26.2
132.05794	2.0
133.06514	8.7
133.10164	7.8
135.08046	1.9
141.06972	19.9
142.07756	2.0
143.08562	13.2
144.05708	5.8
145.06480	31.4
145.10109	18.5
147.08081	4.3
147.11710	2.8
149.06042	2.3
151.11192	3.8
153.07028	4.3
154.07793	7.1
155.08559	29.5
157.06522	5.8
157.10123	10.4
158.07277	4.3
159.08037	19.4
159.11667	11.0
161.06006	2.1
161.09641	3.0
165.06989	5.9
167.08574	4.9
169.06526	2.1
169.10132	25.2
171.08101	5.5
171.11676	3.3
173.05995	8.3
173.09633	30.8
173.13295	3.1
175.07513	2.8
175.11195	4.6
179.08545	3.7
181.10147	2.9
182.07182	2.0
182.10869	2.0
183.08025	15.0
183.11670	9.5
185.09628	4.6
185.13199	1.7
187.07567	7.9
187.11177	18.6
187.14781	2.8
189.09048	2.6
189.12668	1.8
193.10150	3.2
196.08823	4.0
197.09610	11.8
197.13171	2.8
199.11130	1.9
201.09113	38.6
201.12733	5.7
201.16359	1.9
203.10658	2.0
211.11171	5.3
211.14790	7.8
215.10727	9.8
215.14250	3.7
215.18051	2.5
225.12779	2.8
225.16353	16.4
227.14243	8.2
227.17958	1.9
229.12247	2.4
229.15866	9.2
235.14864	3.2
243.17422	28.7
253.15924	20.0
271.16956	100.0
272.17215	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	271.0964
Annotation	3,5-Dihydroxy-2,4-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
51.99582	1.9
55.01860	5.6
55.05521	1.6
59.81923	1.8
65.03921	2.1
67.05504	2.5
70.86263	5.2
77.35656	1.9
81.07084	2.2
85.06537	2.0
89.03922	3.3
91.05479	17.2
92.22916	1.7
95.04955	4.6
95.08611	2.0
105.07040	2.7
107.04967	4.6
115.05450	4.5
117.03413	1.8
118.04137	3.1
119.04939	13.0
121.06505	2.6
128.06149	2.6
129.06966	4.4
134.03589	3.4
135.04420	2.6
137.05963	9.1
140.06096	2.0
141.06963	10.9
145.39258	1.6
149.05971	3.9
150.06752	1.9
152.06224	11.6
153.06984	44.1
154.07768	7.6
155.08568	25.2
157.06473	7.0
165.06995	100.0
166.07413	1.7
167.08508	2.6
168.05728	18.7
169.06479	8.2
170.07289	2.2
171.08078	2.6
179.04947	1.9
179.08688	2.1
181.06473	27.7
182.07205	8.2
183.08061	43.2
184.08620	2.0
185.06027	9.6
187.07471	2.1
193.06383	17.6
194.07167	3.2
195.07964	2.0
196.05168	9.0
197.05963	7.7
198.06770	4.4
199.07507	3.3
200.08211	3.8
207.04446	3.7
209.06004	3.4
210.06764	4.6
211.05524	3.3
211.07533	53.5
212.08253	6.2
213.05386	4.8
213.09163	3.4
221.05966	13.8
225.05420	1.7
225.09122	3.6
227.06998	2.3
228.07782	5.0
239.07011	8.2
241.08545	1.6
242.09328	6.1
243.10181	7.2
271.09634	85.5
272.10306	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	271.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68979	3.9
55.01865	12.8
55.05507	15.0
56.04940	4.0
56.62157	4.0
57.03437	25.0
65.03934	4.3
66.70161	3.5
67.05499	61.3
69.03407	5.0
69.07059	15.2
71.04986	6.0
71.18610	8.7
79.05491	23.2
81.07048	62.6
82.21302	4.6
83.04986	9.3
85.06538	9.5
91.05473	47.3
93.07064	22.1
95.04975	7.1
95.08605	10.9
97.06612	5.5
98.30838	4.4
105.07029	50.9
107.08589	37.2
109.06514	7.3
109.10151	82.5
115.05415	4.5
117.07028	7.4
123.11697	19.7
131.08563	8.1
133.10124	100.0
143.08539	5.2
145.06503	6.6
146.44313	4.4
151.11182	50.5
163.04076	4.1
169.12282	6.5
171.11679	4.3
175.11075	4.5
201.12862	5.3
215.12740	5.6
235.69345	4.3
271.15341	43.4
271.20447	8.2
283.26694	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	271.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	10.6
55.05511	11.8
57.03439	22.3
65.03911	2.9
67.05501	59.7
69.03413	3.4
69.07056	14.5
70.25448	11.0
71.04991	6.1
72.84360	2.4
79.05486	19.0
80.81580	2.3
81.07050	56.0
83.04972	9.2
83.08606	2.8
85.06556	6.3
91.05473	43.6
93.07037	21.6
95.04951	6.1
95.08602	10.7
97.06509	2.7
99.04420	3.5
105.06390	3.6
105.07033	41.0
107.08593	40.6
109.06496	6.9
109.10153	72.2
109.10932	4.1
113.05993	4.7
119.08582	6.0
123.11727	12.5
127.07582	4.4
131.08601	3.1
132.49904	2.3
133.10124	100.0
143.08575	4.8
151.11171	52.7
152.11430	2.5
169.12241	7.4
175.48044	2.3
215.12689	3.5
271.15363	32.5
271.20612	4.1
271.23981	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	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03928	4.5
55.01864	2.6
55.05274	1.4
55.05513	20.6
57.03436	33.9
57.07064	5.0
65.03926	1.9
67.05499	78.1
69.07065	33.2
71.04982	6.4
79.05489	46.6
81.03413	1.9
81.07051	100.0
83.04977	10.7
83.08616	22.1
85.06521	5.7
91.05475	22.6
93.07037	69.7
95.04975	7.8
95.08607	28.0
97.06523	12.3
97.10159	3.8
99.08081	3.7
100.53194	1.5
105.07020	11.3
107.08591	39.1
109.06545	2.8
109.10130	6.5
111.08067	9.2
117.07001	6.9
119.08567	5.9
121.06503	2.1
121.10136	22.7
121.75544	1.4
121.80624	1.7
123.11696	4.7
129.07002	2.5
131.08577	10.5
133.10117	9.3
135.08040	3.1
135.11679	11.1
139.11179	2.5
145.10130	3.8
147.11679	2.5
149.13255	36.6
155.08563	1.8
156.09311	1.9
157.10066	2.9
159.10426	2.1
159.11679	17.5
171.11667	2.1
177.12729	6.3
185.13261	2.8
187.45276	1.7
195.13831	10.2
199.14771	1.5
213.16461	2.6
224.67325	1.6
254.56645	1.6
269.17358	21.5
269.22415	10.7
283.07388	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25441	1.8
51.09843	1.8
53.03934	3.6
55.01858	5.5
55.05507	22.3
56.96578	1.8
57.03440	8.9
57.07066	6.8
59.05003	1.9
65.03931	4.0
67.05502	69.3
69.03429	4.3
69.07067	31.2
70.11567	1.9
71.04987	18.2
71.57801	1.7
71.58151	2.9
73.93098	1.5
79.05059	3.5
79.05488	39.5
81.03410	2.8
81.07054	100.0
83.04968	7.6
83.08619	18.4
85.06538	13.4
88.59833	1.8
91.05472	25.1
93.06468	3.9
93.07039	53.0
93.07632	3.4
95.04968	6.1
95.08601	74.8
97.02873	2.1
97.06551	12.8
97.10165	7.6
98.97572	1.7
99.04433	2.5
99.08080	3.1
105.07021	20.0
107.08588	39.6
109.06505	6.1
109.10155	34.1
111.08086	8.2
116.98608	2.2
117.07014	9.5
119.08570	20.3
121.06484	6.4
121.10143	24.3
123.08062	5.7
123.11681	13.3
125.02383	2.8
125.09623	4.9
127.07538	3.2
129.06999	5.6
131.08560	15.7
133.10129	27.1
135.08041	7.1
135.11685	18.5
137.09621	9.4
137.13216	5.0
138.65300	1.9
139.11131	2.5
141.09088	1.9
142.07686	2.1
143.08545	8.5
145.10114	11.6
147.11696	11.3
149.09641	6.2
149.13268	17.1
151.11145	6.5
153.09100	4.6
155.08582	2.4
155.10667	1.9
157.10130	7.7
158.10851	2.4
159.08110	1.8
159.11691	19.4
161.13202	5.2
163.11183	4.4
163.14795	2.8
167.08586	2.7
167.10669	4.0
169.10124	2.9
171.11670	6.3
173.13223	10.4
177.12776	5.5
181.12192	3.9
183.11618	3.1
185.13220	5.3
187.14809	5.3
189.16444	2.4
191.17903	5.5
191.90717	2.6
195.11615	2.3
195.13791	4.6
199.14832	6.0
209.13390	2.3
211.14870	2.6
213.16351	7.1
215.17975	14.2
227.14310	2.7
227.18054	2.7
233.19000	8.8
239.11560	2.3
240.12563	2.3
251.19981	11.9
269.08157	4.3
269.11810	8.1
269.17392	2.8
269.18967	2.6
269.22922	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	6.3
55.01848	5.2
55.05497	20.6
57.03431	41.8
67.05172	7.3
67.05498	86.5
69.07065	35.9
71.04984	7.4
71.07823	10.9
72.00278	4.8
79.05489	43.0
81.07052	100.0
83.04974	8.0
83.08612	18.4
85.06512	5.0
91.05482	26.3
93.07041	70.5
95.04976	8.2
95.08588	33.1
97.06516	18.6
105.05377	4.4
105.07003	13.3
107.08596	41.8
117.06987	8.3
121.10188	25.6
131.08580	7.6
133.10086	10.3
135.11636	9.6
149.13246	45.0
149.20114	5.2
159.11691	16.7
177.12711	10.0
195.13849	10.6
255.35745	5.5
269.17459	23.0
269.22690	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	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.83463	1.1
53.03935	3.4
55.01863	3.8
55.05261	1.8
55.05511	23.7
56.15464	1.0
57.03436	38.1
57.07068	4.9
59.84923	1.0
60.12293	1.1
65.03933	2.9
66.74239	1.0
67.05502	77.7
68.05830	1.2
69.03426	2.8
69.07065	32.7
70.19592	5.7
71.04986	6.4
79.05490	48.9
81.03417	3.0
81.07055	100.0
83.04984	10.2
83.08612	19.9
85.02924	1.2
85.06548	5.5
85.26102	1.1
91.05476	23.9
93.07040	71.5
95.04967	8.4
95.08604	27.3
97.02901	1.1
97.06522	14.0
97.10172	2.5
98.97545	1.2
99.04457	2.3
99.08089	4.1
99.60139	1.2
103.05405	1.3
105.07028	9.5
107.07867	2.3
107.08591	42.7
109.06537	5.3
109.10154	6.5
111.08071	9.4
111.11720	2.0
113.09645	1.3
115.05458	1.3
116.98623	1.2
117.07008	8.5
119.08564	7.1
121.06531	2.3
121.10137	23.4
121.10924	1.9
123.08019	1.6
123.11684	3.8
125.09656	1.3
129.07047	1.8
131.08559	12.4
133.10120	11.3
135.08086	3.2
135.11684	9.9
139.07533	2.0
139.11165	3.2
143.08546	2.5
145.10127	3.3
147.11685	3.3
149.06137	1.0
149.09578	2.1
149.13251	42.0
151.11174	1.0
157.10138	4.2
159.11694	20.2
161.13176	1.2
169.04886	1.5
171.11690	3.4
173.13358	1.3
177.12694	7.8
183.11713	1.3
185.13261	2.3
187.14865	1.1
195.13809	9.1
197.04474	8.7
197.09451	1.1
199.11302	1.2
199.14810	2.7
201.16376	1.2
209.13177	1.8
212.06807	4.7
213.12766	4.1
213.16451	2.6
227.09113	12.0
227.17896	1.3
232.68045	1.1
241.19461	1.4
269.07993	1.5
269.11990	1.3
269.17175	19.7
269.22214	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	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.2
54.85180	1.2
55.01865	4.3
55.05509	22.7
56.96566	4.1
57.03435	30.5
57.07064	6.1
62.56614	1.2
65.03939	3.0
67.05503	79.3
68.05820	1.3
69.03452	1.4
69.07065	38.1
71.01348	2.0
71.04995	10.1
71.08630	1.7
71.36766	1.5
71.58080	2.0
79.05492	50.9
81.03418	6.0
81.07055	100.0
83.04978	12.6
83.08617	18.4
85.02901	5.6
85.06547	7.5
91.05479	25.7
91.06017	2.2
93.07040	64.8
94.07401	1.5
95.04960	12.1
95.08599	34.9
97.02886	1.4
97.06535	12.3
97.10145	4.5
98.97608	2.2
99.08080	4.2
101.06062	2.0
105.04523	1.7
105.07033	20.1
107.08593	39.3
109.06512	6.8
109.10155	13.4
111.08087	10.1
117.06992	11.3
119.08584	11.5
121.06516	3.7
121.10149	27.6
123.08060	1.4
123.11700	6.0
125.06033	1.8
125.09620	1.6
127.03936	1.8
127.07571	2.6
129.07019	6.8
131.08560	17.6
133.10124	14.8
134.99718	2.3
135.11673	12.2
135.73598	1.4
139.11160	2.8
141.06993	2.8
142.07750	1.7
143.08562	9.1
144.54010	1.6
145.10129	10.1
146.99695	1.9
147.11670	6.8
149.09653	3.2
149.13255	37.7
151.11247	1.5
153.06985	1.4
155.08583	2.0
156.09326	1.9
157.10132	10.8
159.11690	22.1
161.09669	1.9
161.13255	3.9
165.06989	1.5
167.06941	1.5
169.10104	3.2
171.11673	7.7
173.13249	7.2
177.12761	6.2
178.07857	1.7
181.06522	2.0
181.10086	2.1
183.02907	1.6
183.11661	3.7
185.13268	9.5
187.14807	3.6
195.08159	1.8
195.13829	6.6
197.13344	2.8
199.11330	1.9
199.14836	6.2
205.08028	3.2
207.11504	1.4
211.14784	1.5
213.12759	1.9
213.16396	9.8
219.01680	1.5
220.98064	1.2
223.14725	2.5
227.17896	3.3
233.19089	3.2
241.19481	2.7
251.20078	3.3
269.08078	4.5
269.11334	2.4
269.17245	19.2
269.22574	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03941	4.1
55.01868	4.2
55.05514	19.9
57.03437	40.0
57.07063	4.9
65.03944	2.4
67.05502	84.0
67.13033	2.4
69.07063	38.2
69.33842	23.2
71.04986	8.2
79.05491	52.6
81.07053	100.0
83.04989	12.4
83.08622	16.6
85.06548	6.4
89.48953	2.7
91.05466	20.6
91.52341	2.3
93.06472	5.9
93.07034	67.9
95.04964	6.4
95.08608	27.0
97.06534	16.9
97.43535	2.4
99.08078	4.2
105.07031	6.5
107.08576	41.1
109.10165	3.1
111.08078	10.1
117.07005	10.9
119.08562	3.7
121.10133	27.9
123.11728	3.5
131.08601	13.2
133.10130	9.5
135.11674	11.6
149.13248	52.3
159.11696	20.2
177.12753	8.3
195.13828	8.5
264.65244	2.9
267.17026	2.5
269.17273	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27682	1.3
53.03945	2.6
55.01863	4.7
55.05510	24.9
56.96570	1.7
57.03438	20.1
57.07068	5.4
63.11639	1.4
63.11989	1.2
65.03935	3.5
65.33277	1.4
67.05504	81.3
68.70237	1.2
69.03433	3.3
69.06686	1.3
69.07066	31.9
71.04977	11.4
71.12726	3.7
79.05489	41.1
81.03417	3.2
81.07056	100.0
82.07389	1.4
83.04980	8.1
83.08612	16.9
85.06548	12.4
91.05482	27.4
93.07039	67.2
95.04964	8.8
95.08603	56.5
97.06534	13.9
97.10169	6.5
99.08092	4.9
105.07026	18.9
107.04955	1.7
107.08588	42.4
109.06506	7.5
109.10149	24.0
111.08095	7.2
111.11745	1.6
113.06027	1.7
117.07016	9.7
119.08582	15.9
121.06487	4.8
121.10138	27.2
123.08050	4.2
123.11707	9.0
125.09618	1.7
127.07571	1.7
129.07005	3.4
131.08577	14.0
133.10120	16.4
135.08043	5.2
135.11681	13.0
137.09610	4.7
137.13251	4.1
139.11131	2.3
143.08553	5.3
145.10107	8.0
147.11639	6.4
149.09624	3.6
149.13249	26.2
151.11185	5.9
153.09172	1.9
157.10080	2.6
159.11702	21.8
161.13264	3.5
163.11150	1.7
163.14781	1.5
165.07045	2.0
169.72426	1.6
171.11682	3.8
173.13271	5.2
175.14880	1.7
177.12770	6.0
177.78404	1.4
180.81471	1.2
181.06540	1.7
181.12146	1.7
185.13312	3.7
187.14792	3.5
191.17969	1.7
195.13841	8.7
199.14835	5.5
204.31570	1.6
209.13371	1.5
211.14828	1.7
213.16371	4.0
215.17972	12.0
226.31479	1.5
227.17900	3.5
233.18991	6.0
237.09212	1.8
251.10677	1.5
251.20006	8.9
260.43448	1.6
269.08475	3.0
269.11734	7.0
269.17465	10.8
269.22702	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	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03946	3.4
55.01863	2.8
55.05513	22.0
57.03437	36.9
57.07074	3.8
67.05505	77.0
69.07066	30.2
71.03185	4.5
71.03514	2.0
71.04987	6.3
71.08626	2.4
73.92117	1.8
79.05492	42.2
81.03432	3.2
81.07054	100.0
83.04990	11.6
83.08616	19.1
85.06541	7.3
91.05482	24.4
93.07045	68.7
94.07382	2.3
95.04968	7.2
95.08614	24.4
97.06541	17.1
97.10168	2.4
99.08106	3.1
105.07023	7.1
107.08591	37.5
109.06484	3.3
109.10183	4.0
109.10914	2.2
111.08096	8.5
111.23134	1.6
117.07014	8.0
119.08594	5.6
121.06490	1.8
121.10151	20.6
123.11736	2.4
124.93106	1.8
125.05887	1.7
125.09699	2.5
129.92923	1.7
131.08592	10.8
133.10147	8.7
135.11668	10.6
139.11182	2.6
147.11740	2.3
149.13260	46.2
157.10149	2.9
159.11716	17.6
170.20309	2.0
177.12784	9.4
183.84460	1.6
195.13849	10.8
231.00856	2.0
269.17444	24.9
269.22729	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	269.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49049	2.1
53.03948	4.1
55.01867	3.8
55.05510	23.8
57.03437	36.6
57.07075	6.8
65.03934	5.1
67.05501	80.9
68.99767	4.4
69.07061	33.6
71.04984	6.1
71.12778	2.4
74.37185	2.4
79.05489	42.1
81.03419	3.2
81.07050	100.0
83.04973	10.4
83.08610	16.6
85.06514	6.4
86.91740	2.6
91.05474	23.9
93.07033	69.5
95.04955	8.8
95.08605	28.5
97.06512	19.8
97.10178	3.6
99.08067	5.1
105.07011	12.2
107.08584	41.4
109.10155	3.8
111.00795	8.8
111.08080	9.2
113.93593	2.5
117.07000	11.7
119.08586	6.1
121.06526	3.9
121.10125	27.6
123.74672	3.7
129.07007	4.0
131.08516	15.4
133.10143	13.1
135.11665	11.8
139.00266	13.5
139.11166	3.0
143.08598	4.8
145.10109	3.1
147.11725	4.0
149.13240	41.2
157.01320	11.7
157.06522	5.5
157.10124	4.5
159.11717	17.3
165.07042	5.1
167.08559	3.2
171.07997	3.4
171.11723	5.1
177.12766	8.9
185.09598	3.5
195.13786	7.7
199.11188	4.7
213.09235	2.4
213.12796	5.9
222.51460	2.4
227.14452	4.4
231.31024	3.0
269.15002	6.0
269.17093	18.8
269.19412	6.8
269.22141	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	269.1746
Annotation	Trichotriol
Peak:m/z	Relative Intensity
51.91280	1.4
53.03929	4.3
55.01864	5.0
55.05509	24.6
57.03438	37.0
57.07061	4.8
63.30196	1.8
65.03920	3.5
66.98457	1.9
67.05502	86.8
69.06728	2.5
69.07066	32.6
69.31623	4.9
69.32040	13.4
70.97101	1.6
70.99306	1.8
71.04982	7.5
74.91785	1.6
76.06796	1.6
79.05492	51.1
81.03407	2.9
81.07053	100.0
83.04987	11.8
83.08618	23.5
85.06540	5.0
87.54927	1.7
91.05489	23.5
93.07040	77.0
95.04980	9.5
95.08607	29.8
97.06531	15.9
97.10168	3.0
99.08091	4.0
100.34544	1.6
105.07018	9.9
107.08593	47.1
109.06487	4.0
109.10168	5.0
111.08089	8.9
111.11671	2.7
117.07005	9.6
119.08609	2.3
121.06487	2.9
121.10147	27.5
121.21845	1.7
123.11721	3.1
127.07586	2.3
131.08575	10.8
133.10121	11.8
135.07977	2.1
135.11638	9.8
147.11537	2.0
149.09703	3.6
149.13260	47.0
157.10002	2.8
159.11670	18.8
167.14230	1.8
177.12694	10.4
195.13812	9.7
199.14932	2.0
214.18864	1.6
269.17398	26.1
269.22409	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	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
50.18047	1.8
53.03941	4.7
55.01862	3.7
55.05503	20.4
57.03435	32.7
57.07062	5.5
65.03930	2.5
67.05502	79.0
69.07066	30.5
69.26997	17.2
71.04987	7.2
79.05490	43.2
81.03406	2.7
81.07052	100.0
83.04990	10.8
83.08622	19.6
85.06544	5.8
91.05470	25.6
93.06475	3.7
93.07045	66.3
95.04969	12.7
95.08604	26.1
97.06538	11.9
97.10170	3.9
99.08089	3.5
99.20115	1.7
105.07021	8.4
107.08598	39.4
109.06492	4.4
109.10134	5.4
111.08091	6.6
113.06026	2.8
113.77731	1.8
117.07012	8.4
119.08585	5.2
121.10144	24.6
123.11710	5.9
129.06944	2.3
131.08571	11.2
132.72293	1.8
133.10114	16.0
135.11678	10.0
139.11188	2.4
142.07785	2.9
143.08525	3.3
147.11697	3.5
149.13254	32.9
157.10086	2.8
159.11693	16.1
169.10101	2.4
171.11664	2.6
177.12756	6.0
185.13271	4.4
195.13766	10.3
269.17300	24.4
269.22647	6.5
280.89963	1.9
287.75995	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1534
Annotation	Heudelotinone
Peak:m/z	Relative Intensity
55.01876	11.3
55.05503	6.5
57.03439	2.6
57.07077	4.1
67.05494	12.2
69.07039	2.3
70.30614	1.8
70.30940	7.9
79.05483	10.7
81.07044	7.8
83.04987	2.7
91.05488	11.9
93.07028	10.5
95.04955	3.9
97.43009	1.8
98.20789	2.2
105.07015	6.5
107.04924	3.2
107.08601	4.8
115.05441	4.4
117.07016	8.2
119.08562	4.9
121.06496	3.9
128.06227	8.5
129.07005	22.2
131.04889	2.5
131.08559	7.8
133.06474	4.8
133.10135	3.9
141.06978	14.5
142.07761	6.9
142.82936	1.8
143.04927	4.2
143.08557	16.3
144.05702	2.0
145.06474	7.2
145.10117	2.7
147.08046	2.2
149.13264	2.3
152.06213	5.6
153.07025	9.9
154.07793	4.3
155.08574	12.6
157.06487	21.7
157.10092	13.2
159.08099	8.6
161.09599	4.0
165.06987	14.3
166.07779	11.6
167.08556	24.0
168.09291	3.8
169.06494	6.5
169.10089	11.0
170.07285	5.3
171.08051	19.4
171.11700	8.5
173.09666	3.0
175.07521	2.5
179.08582	8.2
180.09311	4.4
181.06505	6.6
181.10135	20.7
182.07310	2.7
182.10963	3.0
182.75717	1.8
183.08055	12.5
183.11685	4.5
184.08810	6.2
185.06027	2.1
185.09650	22.3
186.10417	2.1
187.11197	5.4
190.07658	2.2
191.08568	4.0
193.10202	3.2
194.07239	2.8
194.10913	5.8
195.08058	8.5
195.11714	9.9
196.08826	3.6
197.09633	5.6
197.13281	4.7
198.10381	3.1
199.07495	4.6
199.11186	17.1
199.14886	3.9
201.09148	3.2
203.08484	2.1
205.10146	3.4
207.11711	4.3
208.08817	5.4
209.09610	20.6
209.13164	10.8
211.11180	3.5
212.08376	2.0
213.09160	12.1
213.12785	5.1
213.16377	3.9
214.09924	5.1
215.10620	2.2
218.10931	1.9
221.09544	2.5
222.10381	2.7
223.11214	6.4
223.14812	18.5
225.12776	8.9
225.16405	2.5
227.10681	18.3
227.14182	9.4
233.13251	6.1
241.15875	32.6
251.14336	28.8
269.15356	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03937	3.5
53.30910	1.2
55.01860	2.5
55.05263	1.8
55.05510	23.2
56.17850	1.0
57.03433	37.2
57.07069	4.3
65.03923	1.5
67.05502	70.9
69.07066	30.4
71.04997	7.1
71.08633	1.4
75.39664	1.1
79.05489	50.6
81.03410	2.2
81.07051	100.0
83.04978	9.1
83.08615	17.3
85.06518	5.9
91.05473	22.8
93.07037	64.6
93.07635	2.6
95.04964	7.9
95.08603	26.2
97.06519	12.4
97.10173	1.9
98.21611	2.2
99.04425	1.4
99.08097	3.0
104.38703	1.3
105.07018	8.8
107.08585	34.9
109.06523	3.2
109.10165	4.0
111.08068	8.0
111.11720	1.5
117.06997	9.2
119.08562	4.0
121.06474	1.8
121.10123	17.2
123.11655	4.2
131.08572	9.3
133.10115	12.3
135.08028	1.6
135.11703	8.9
147.11694	2.2
149.13246	34.1
151.11215	1.4
157.10007	1.7
159.11684	15.5
173.13245	1.8
177.12749	4.8
182.89993	1.2
195.13803	10.3
202.67853	1.8
269.17395	26.6
269.22449	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	268.9822
Annotation	Unknow
Peak:m/z	Relative Intensity
70.48761	34.4
70.63989	7.7
80.92607	7.6
175.09496	8.4
186.94926	9.1
198.71927	7.7
256.35791	7.6
259.23050	8.9
268.98254	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1534
Annotation	17alpha-Dihydroequilenin
Peak:m/z	Relative Intensity
55.01862	10.0
55.05503	15.8
55.56202	2.8
57.03428	11.0
57.07057	3.7
60.10865	2.8
61.21217	2.7
65.03923	3.8
67.05503	30.7
69.07047	12.3
71.04974	5.5
71.58332	3.8
79.05497	22.3
81.03463	4.0
81.07048	40.6
83.04955	5.7
83.08630	7.9
91.05473	17.9
93.07038	22.8
95.04941	5.3
95.08592	13.9
97.06509	7.7
105.07017	11.8
107.04935	4.8
107.08579	18.5
109.10132	3.8
110.96347	3.0
111.04462	3.4
111.08014	3.3
114.18554	3.0
115.05428	5.2
117.07003	10.1
119.08624	7.0
121.06515	7.1
121.10084	15.0
128.06221	10.6
129.07013	27.5
131.08571	12.4
133.06451	4.3
133.10115	8.8
134.44653	3.0
141.07010	13.4
142.07756	8.0
143.08554	12.6
145.06456	6.0
145.10068	6.7
149.13234	14.5
153.06970	10.0
155.08521	19.5
156.09436	4.3
157.06468	12.6
157.10048	16.0
159.08028	6.0
159.11714	6.3
165.06955	16.1
166.07800	9.3
167.08571	24.8
169.10149	18.2
170.07304	5.1
171.08058	16.4
171.11685	7.5
173.09651	4.0
177.12715	3.3
179.08504	8.9
180.09291	3.4
181.06541	5.0
181.10083	31.8
183.08031	8.5
183.11665	6.6
185.09586	19.8
185.13269	3.2
187.11156	3.3
195.11679	11.5
197.13272	7.7
198.10396	3.4
199.07574	6.2
199.11124	14.6
199.14876	9.3
207.11665	4.3
209.09596	8.8
209.13277	14.5
212.12062	3.6
213.09100	10.0
213.12752	7.3
213.16292	3.8
215.10864	3.7
223.14790	25.3
225.12762	13.7
227.10681	9.3
227.14246	21.1
233.13229	7.0
241.15871	28.5
251.14297	28.2
258.64206	3.3
269.15320	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1037
Annotation	Adenosine
Peak:m/z	Relative Intensity
52.17043	0.3
55.01847	0.5
57.03399	0.4
70.96873	0.3
70.97221	0.8
82.82325	0.3
85.82389	0.3
93.97802	0.3
94.04024	0.3
119.03545	1.2
136.06175	100.0
137.04547	1.0
137.06525	0.4
202.27020	0.4
263.04034	0.3
268.10330	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	268.104
Annotation	Vidarabine
Peak:m/z	Relative Intensity
55.01866	0.5
56.96552	1.2
57.03435	0.9
61.02924	0.7
67.05486	0.3
69.03437	1.4
70.11890	1.2
71.38991	0.3
73.02903	0.5
81.03406	0.4
84.66093	0.3
85.02898	1.7
87.04466	0.4
94.04041	0.5
97.02875	1.3
98.97583	1.1
107.04934	0.3
116.98612	1.1
119.03483	0.7
119.04865	0.3
124.03960	0.7
127.03929	0.5
134.99661	0.3
136.06181	100.0
137.04564	0.6
137.06606	0.4
153.01823	1.1
158.99699	0.3
161.02916	0.3
178.07191	0.3
186.54843	0.4
195.68044	0.3
201.00616	0.5
222.11281	0.3
241.45807	0.4
268.06165	0.3
268.10287	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	267.159
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03944	3.7
54.78296	1.1
55.01865	2.3
55.05513	7.1
57.03434	17.8
67.05498	12.9
69.03429	2.4
69.07063	3.4
69.40272	2.8
69.40697	7.7
71.04997	1.6
73.93451	1.0
76.52788	1.0
79.05492	12.4
81.03416	100.0
81.07057	16.9
83.04985	5.2
83.08616	15.3
83.24477	1.1
90.25462	1.1
91.05467	17.0
93.07053	7.0
95.04965	21.8
95.08617	4.9
97.02907	1.9
97.06527	1.6
97.10167	2.0
99.08109	1.8
99.84550	1.4
105.07021	15.4
107.04965	6.0
107.08575	4.3
109.06525	3.8
109.10172	1.6
111.08073	5.4
118.98312	1.0
119.08581	12.8
121.06547	1.7
121.10145	6.2
123.08096	2.1
123.11697	2.2
129.06995	7.2
131.07730	1.2
131.08530	6.9
133.06519	2.2
133.10136	4.9
137.09627	1.6
142.07758	1.8
145.10152	2.1
147.08055	2.8
147.11668	8.9
149.09628	4.2
154.43286	1.0
157.10086	9.4
165.12770	3.7
175.11223	9.1
184.01938	1.1
193.12241	15.1
211.13297	1.4
235.97575	1.1
251.40919	1.1
267.15860	35.6
267.20505	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1589
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
51.56166	0.8
53.03946	3.9
55.01866	2.3
55.05509	7.1
57.03438	18.5
66.63036	0.9
67.05505	14.0
69.03428	2.6
69.07071	2.3
71.05002	1.1
71.19136	1.7
71.19492	1.0
76.53126	0.8
79.05492	13.3
81.03417	100.0
81.07056	11.8
83.05000	5.2
83.08613	13.3
85.06560	1.1
89.82074	0.8
91.05486	16.2
93.07047	7.2
95.04968	23.8
95.08594	4.6
97.02884	2.2
97.06502	1.9
97.10194	1.9
99.81487	0.8
105.07040	11.5
107.04955	4.3
107.08607	3.4
109.06530	3.3
109.10174	1.9
111.08058	6.4
115.05482	1.9
117.07011	1.5
119.08591	10.8
121.06518	1.6
121.10143	2.7
123.08051	1.4
129.06996	8.1
131.08543	6.4
133.06485	2.6
133.10143	3.7
137.09668	1.7
142.07774	2.6
145.10143	1.0
147.08072	2.3
147.11671	6.2
149.09601	4.5
157.10109	6.8
165.12711	2.4
175.11194	7.7
190.78317	0.7
193.12238	14.8
211.13309	2.4
267.15900	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	267.1589
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03946	4.9
53.09935	0.8
54.40563	0.8
55.01860	2.6
55.05508	9.4
56.40818	0.8
57.03437	18.7
67.05505	13.3
69.03436	2.6
69.07061	2.5
70.74417	2.1
70.74765	1.0
71.04974	1.9
79.05493	12.2
81.03415	100.0
81.07053	11.2
83.04974	5.1
83.08613	11.3
85.06506	1.0
85.07247	0.9
86.06624	0.9
91.01398	0.9
91.05480	16.5
93.07050	7.2
95.04958	19.3
95.08606	5.1
97.02892	2.0
97.06536	1.7
97.10197	2.5
105.07015	10.9
107.04955	3.3
107.08596	3.3
109.06521	2.9
109.10154	1.6
111.04417	1.3
111.08078	5.0
115.05457	1.7
117.07028	1.2
119.08567	12.1
121.06486	2.0
121.10114	5.6
123.08080	1.5
124.09367	0.9
129.07008	7.2
131.08562	8.0
133.06535	1.7
133.10138	2.5
137.09683	1.4
142.07787	1.7
145.10109	1.2
147.08099	1.9
147.11690	5.8
149.09624	4.1
157.00314	0.8
157.10120	8.0
163.11234	1.2
165.12793	1.6
174.98933	0.9
175.11194	8.1
193.12265	11.9
211.13278	1.9
267.15857	26.7
268.61786	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1589
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03940	4.1
53.13235	0.7
55.01859	2.2
55.05509	7.0
55.92508	0.7
57.03432	21.0
67.05499	11.9
69.03428	2.5
69.07051	3.2
70.71090	2.2
71.04978	1.2
78.52276	0.6
79.05489	15.0
79.05925	0.5
81.03413	100.0
81.07042	12.0
82.03758	0.8
83.04964	5.6
83.08616	14.4
91.05476	17.4
91.06017	1.3
93.07038	7.3
95.04964	23.0
95.05566	1.5
95.08601	5.6
97.02880	2.2
97.06496	1.1
97.10165	1.7
105.07012	13.9
107.04943	4.9
107.08587	2.9
109.06538	3.2
109.10132	2.1
111.04414	0.8
111.08075	4.7
115.05482	1.2
117.06991	0.8
119.04950	0.7
119.08572	11.8
121.06504	2.4
121.10149	4.7
123.08068	1.7
125.09670	0.7
129.06998	7.9
131.08566	7.1
133.06509	1.8
133.10132	3.9
134.77853	0.7
135.11661	0.8
137.09544	1.5
137.78198	0.7
141.06908	0.6
142.07748	2.0
145.10110	1.6
147.08061	1.6
147.11676	6.4
149.09615	3.2
150.24150	0.7
157.10112	7.4
162.55600	0.7
165.12735	2.0
175.11200	8.6
177.95456	0.8
188.66403	0.7
193.12231	14.6
197.06673	0.7
211.13239	2.2
249.14842	1.2
267.15891	26.8
274.58856	0.8
285.10104	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.5
51.02378	1.1
53.03949	0.5
53.43000	0.4
55.01855	1.2
55.05487	0.5
57.03428	0.6
58.41365	0.5
65.03935	1.0
67.05498	1.7
69.03431	16.0
70.05280	1.9
79.01856	8.4
79.05478	1.4
80.20277	0.5
81.03404	1.1
81.07046	1.4
85.02896	0.8
89.03915	0.6
91.05500	3.5
93.07014	0.8
95.04948	0.8
95.08597	1.4
97.02894	22.4
98.21426	0.7
103.05466	1.6
105.03419	0.7
105.07073	0.6
107.01315	1.7
107.04958	1.3
107.08624	1.1
115.03949	6.0
119.04939	3.6
122.18720	0.5
123.04375	0.6
125.02345	4.9
131.04922	3.5
133.02838	1.9
135.04414	0.5
139.03902	1.3
143.03404	12.3
147.04396	5.3
151.03908	2.0
153.01833	100.0
153.02834	4.2
154.02151	1.5
159.04417	3.9
163.03923	4.3
165.05487	1.7
175.03928	3.8
177.01929	0.6
177.05496	1.9
179.03427	7.9
181.01311	0.9
191.03441	3.6
193.04938	2.9
195.02934	1.4
203.03400	1.7
205.04926	3.8
207.02884	7.2
209.04477	1.9
219.02875	0.9
221.04430	2.9
223.02382	4.5
231.02884	2.0
235.50569	0.5
237.04015	2.3
249.03983	1.1
267.04980	4.7
268.92673	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21346	1.5
55.05498	2.5
57.03434	2.9
65.92179	1.6
67.05494	4.9
69.03429	3.5
69.07079	1.9
69.62307	14.8
71.04986	2.3
73.02850	1.6
73.23077	1.7
77.03214	2.2
79.05499	5.5
81.03409	5.9
81.07060	7.2
83.08624	1.9
91.05488	5.2
93.07069	2.2
95.04980	4.9
95.08617	4.9
97.02929	2.3
103.05476	5.9
105.03423	6.2
105.07043	20.5
109.02885	3.9
109.06487	2.5
115.05426	2.1
117.06970	2.4
118.04157	6.5
118.15788	1.6
118.16640	1.6
119.08564	2.6
121.06521	2.4
123.08058	2.3
123.62674	1.7
124.03959	2.1
125.46889	2.1
126.01059	4.4
127.03943	1.9
131.04919	4.9
132.05690	9.2
133.06502	14.7
135.08157	1.8
138.05479	3.2
139.05896	3.0
146.03619	34.8
147.50603	1.9
150.05537	2.5
151.06073	2.1
153.01817	2.2
160.05174	4.7
161.04787	1.2
161.05981	35.6
163.03920	10.5
163.07574	2.7
168.06598	5.3
169.06952	10.5
178.06250	100.0
179.06697	2.1
190.06267	3.4
191.07047	7.0
192.07893	3.2
193.08617	36.9
193.10297	2.7
267.14267	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	267.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62958	0.9
55.01874	1.0
67.05489	1.1
69.03090	0.9
69.03432	13.2
70.05149	4.7
79.01849	7.3
81.03397	1.5
81.07028	1.4
91.05486	3.5
95.04950	1.7
97.02892	23.1
98.20906	1.1
103.05515	1.1
105.03355	1.1
107.01292	1.4
107.04990	1.2
107.08560	1.3
115.03939	6.7
119.04926	3.1
119.08636	1.3
125.02354	5.5
131.04932	3.2
133.02840	1.1
139.03946	1.3
143.03401	11.4
147.04451	6.6
151.03903	2.4
153.01833	100.0
153.02901	4.2
154.02145	1.6
156.01939	0.8
159.04425	4.5
163.03949	4.4
165.05449	2.1
175.03902	3.7
177.05412	1.8
179.03398	7.2
181.01338	1.1
191.03415	4.3
193.04938	4.1
195.02905	1.3
196.18295	1.1
203.03270	2.4
205.05011	4.5
207.02895	11.3
209.04384	2.8
219.03059	0.9
221.04475	2.9
223.02354	6.1
231.02832	2.8
237.03920	2.1
267.05002	7.3
267.21127	1.1
267.89297	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1586
Annotation	12-Demethylmulticaulin
Peak:m/z	Relative Intensity
53.03939	0.9
55.01862	1.4
55.05259	0.6
55.05505	5.4
56.96550	1.9
57.07075	2.7
57.98212	0.6
59.04980	0.6
67.05511	2.8
69.03420	2.7
69.07062	11.9
70.40772	0.6
70.52742	0.5
71.01348	0.5
71.57616	1.1
71.97536	0.5
73.21294	0.5
77.29792	0.5
79.05495	3.8
81.03406	2.0
81.07055	3.8
81.93282	0.5
83.08588	2.7
91.05469	3.6
91.72198	0.5
93.07031	2.2
95.04951	1.2
95.08594	2.7
97.06500	0.7
97.10121	0.7
98.97572	6.8
105.07009	3.5
107.04935	0.8
107.08595	3.6
109.02902	0.9
109.06509	1.6
109.10146	1.4
115.05466	1.6
116.98605	5.7
117.07037	1.3
119.08585	1.6
121.06480	0.8
121.10120	1.1
123.04414	0.7
123.07973	0.9
123.11669	1.2
127.03840	0.6
128.06207	2.9
129.07018	2.5
131.08534	1.6
133.06497	1.2
134.99629	2.2
135.07986	0.5
137.13222	0.6
141.06964	3.9
142.07796	1.6
143.08569	3.3
145.06448	1.2
145.10057	1.4
147.08020	1.4
152.06172	5.1
153.06979	6.1
154.07704	1.3
155.08545	3.8
157.06458	1.1
157.10022	0.8
157.39531	0.5
158.99670	1.7
159.08040	2.0
165.06987	33.3
166.07779	15.6
167.08556	12.7
168.09245	2.7
169.10085	2.7
170.10829	0.9
170.76256	0.5
171.08084	6.1
173.05963	0.7
175.07616	0.7
177.00687	3.4
177.09053	0.8
178.07784	3.8
179.08546	17.5
180.09328	19.2
181.06432	2.7
181.10107	14.5
182.07237	0.9
182.10776	2.5
183.08047	1.3
183.11702	4.4
186.52812	0.6
187.07602	0.9
187.14854	0.6
189.06993	1.4
190.07739	4.1
191.08516	4.1
192.09331	6.2
193.10127	11.2
194.07281	4.3
194.10886	5.2
195.08028	17.5
195.11681	27.8
196.08727	2.6
196.12242	0.7
197.09622	4.6
197.13213	0.7
201.09158	0.6
202.07742	1.4
203.08556	2.1
204.09427	0.8
205.08414	0.9
205.10118	4.8
206.07347	0.6
206.10869	1.5
207.08090	8.2
207.11664	17.0
208.08820	15.8
208.12308	4.8
209.09599	31.2
209.13008	5.0
210.10379	5.7
211.11172	4.3
216.09203	0.6
217.10159	4.7
218.10817	0.7
219.11790	1.0
220.08784	4.0
221.09604	8.0
221.13188	2.3
222.10374	7.4
222.13898	4.9
223.11171	31.1
223.14757	2.7
224.11618	1.3
225.12651	0.8
232.12436	3.3
233.13115	0.7
235.11150	20.4
236.08626	0.6
236.09525	0.7
236.11931	8.2
237.12816	3.2
237.16354	13.2
247.14783	5.3
247.16977	0.7
249.12706	1.3
250.13499	10.0
265.15851	100.0
266.16263	3.0
273.76923	0.6
277.15872	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1432
Annotation	Hydroxyanthecotulide
Peak:m/z	Relative Intensity
53.03928	19.5
53.57631	4.8
55.01872	40.6
55.05501	18.0
56.96559	33.3
57.03430	9.2
57.07062	12.0
59.04995	9.7
60.04514	5.1
65.03930	7.8
67.05495	29.3
68.95206	4.5
68.99776	9.9
69.03425	36.8
69.07057	10.8
71.04977	9.2
71.57243	6.7
71.57743	5.2
73.02907	13.2
73.19817	5.7
79.05499	43.4
80.28993	4.9
81.03412	58.6
81.07054	18.9
83.04977	59.6
83.08574	6.6
84.08142	5.7
84.96043	6.3
85.02893	16.6
85.06530	6.7
87.04463	5.7
88.03961	14.7
91.05482	94.2
93.07037	56.0
95.01361	5.6
95.04964	43.9
95.08590	21.7
97.02882	55.0
97.06524	15.9
98.97562	13.8
99.04429	10.7
102.05540	33.9
103.05444	10.5
105.07034	50.7
107.04939	20.8
107.08569	51.1
109.02871	50.5
109.06508	28.8
109.10147	13.4
111.04443	55.6
111.08073	14.8
113.06010	19.6
115.05446	18.1
115.12045	4.5
116.98605	13.1
117.07020	37.9
119.04956	4.6
119.08594	49.3
121.02867	19.4
121.06504	55.2
121.10119	12.6
123.04420	17.3
123.08073	23.3
124.87665	4.4
125.06055	10.9
125.09602	9.1
126.76136	5.1
127.03910	14.6
128.06186	8.4
128.98593	8.3
129.07021	19.0
131.04909	10.9
131.08565	35.1
131.75577	4.7
133.06490	16.2
133.10135	14.1
134.99600	12.2
135.04443	13.8
135.08046	100.0
135.11737	4.9
137.05994	13.9
137.09645	16.7
139.03824	5.9
139.07443	8.7
143.08597	12.4
144.09320	8.6
145.06459	27.8
145.10130	21.7
146.99681	13.2
147.08017	16.7
147.11685	6.7
148.06038	21.0
149.06026	13.4
149.09602	21.9
151.07542	38.2
153.01865	10.2
153.05467	13.9
153.06837	4.3
153.09103	19.3
155.08569	11.3
155.10577	5.9
157.06429	9.8
157.10190	5.7
158.10909	8.1
158.99730	5.3
159.08031	24.9
159.11667	32.4
161.01201	10.1
161.09586	13.6
163.03893	8.0
163.07530	89.5
163.09731	5.5
163.11214	14.3
165.09157	12.2
167.07123	6.6
170.99677	5.4
171.08046	7.0
172.08855	9.4
173.05992	8.8
173.09581	12.9
173.13211	24.8
175.07576	18.0
177.05521	7.9
177.09099	16.1
177.12746	11.1
179.07031	6.1
181.04979	4.9
181.08607	7.5
183.11765	8.3
186.10327	11.9
187.07539	9.4
187.11168	48.7
189.09082	8.0
191.07037	29.1
193.08675	6.9
195.11751	5.9
198.17075	4.3
201.09128	15.1
201.12730	45.7
205.08623	19.9
205.12238	16.9
209.08018	12.2
211.11151	8.0
219.10127	11.7
219.13774	18.7
223.02509	7.8
229.08606	7.4
229.12280	50.2
230.03322	5.4
247.09746	13.5
247.13251	91.4
250.09872	9.1
257.04407	14.5
265.03308	5.9
265.10352	35.8
265.14395	20.7
265.18158	10.7
287.05499	69.9
288.05780	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	265.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	17.9
55.01868	54.8
55.05505	37.3
56.96549	5.9
57.03421	12.9
57.07060	10.6
59.05010	3.6
65.03941	7.2
66.94256	3.1
67.05498	56.8
68.73405	3.1
69.03424	44.1
69.07067	47.8
69.67811	3.8
71.01336	6.3
71.04997	17.2
71.58357	6.0
79.05064	5.6
79.05486	72.8
79.69202	3.0
81.02979	5.7
81.03416	69.1
81.07055	81.6
83.04969	21.1
83.08613	15.7
85.02911	15.2
85.06548	12.1
87.04459	9.8
91.04907	4.0
91.05476	80.2
93.07030	68.4
95.01328	7.6
95.04971	40.1
95.08604	73.2
97.02888	20.0
97.06531	19.0
97.10159	12.1
99.04453	14.1
99.08086	6.1
103.05472	11.0
105.03397	4.9
105.04487	4.2
105.07028	69.6
106.69310	3.3
107.04934	34.8
107.08597	46.1
109.02864	28.1
109.06536	20.3
109.10157	36.6
111.04413	27.3
111.08092	11.0
111.11769	4.6
113.06009	6.4
115.05446	20.3
116.06211	5.8
117.07012	40.1
119.04953	11.4
119.08575	31.2
121.02890	5.8
121.06506	29.6
121.10126	24.5
123.04432	15.6
123.08060	21.4
123.11712	18.4
125.05187	3.1
125.05964	17.3
125.09620	5.1
127.03925	17.6
128.06192	8.7
129.06998	24.6
130.76842	3.4
131.04913	10.2
131.08554	42.5
133.06474	31.6
133.10104	11.7
135.04398	13.3
135.08040	26.5
135.11726	19.5
137.05965	23.8
137.09575	5.2
137.13223	7.7
139.03856	5.5
139.07498	6.3
141.06987	12.4
141.09088	4.1
143.08621	6.0
144.05716	6.9
145.06483	41.9
145.10114	15.7
147.08031	22.5
147.11697	6.2
149.05989	16.5
149.09595	15.2
149.13277	16.5
151.03951	5.9
151.07533	62.8
151.11128	3.9
153.05469	18.2
153.06984	6.7
153.09081	5.4
155.08551	14.6
157.06458	6.3
158.07358	4.5
159.08026	26.3
159.11667	5.8
161.05975	12.1
161.09520	5.7
161.13234	6.9
162.03038	3.3
163.03899	7.3
163.07542	38.0
163.11215	4.8
163.14824	8.4
165.06998	7.4
165.09105	10.3
167.07060	6.6
171.08003	4.9
173.05995	16.9
173.09607	17.8
173.13255	3.5
175.07509	23.5
177.05495	6.4
177.09109	29.4
177.16396	3.7
179.07045	9.8
181.08578	5.6
181.10066	3.2
183.08026	7.0
187.07584	25.2
187.11092	3.6
187.14848	8.0
189.09088	9.7
190.06198	5.1
191.07040	6.2
191.10722	5.7
191.17905	3.8
193.08551	9.0
194.07248	4.3
195.11736	4.8
201.09076	23.7
201.16429	3.2
203.07004	12.0
205.08623	36.0
205.12285	3.3
207.10092	5.5
209.13177	7.7
217.08627	10.6
219.10059	20.1
221.08107	3.6
222.06566	3.4
229.08572	15.3
229.15854	5.8
237.09071	6.5
247.09608	20.4
247.13272	4.3
247.16907	14.2
247.24161	9.2
265.08002	7.4
265.10669	100.0
265.17984	5.6
265.21786	7.7
265.25195	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	265.107
Annotation	Engelharolide
Peak:m/z	Relative Intensity
51.82862	4.1
53.03939	20.1
55.01877	74.6
55.05500	5.2
56.96566	5.5
57.03428	12.5
65.03932	6.3
67.05495	24.8
67.83426	4.2
68.99782	5.6
69.03428	43.2
71.01352	7.1
71.03266	9.3
71.04987	8.3
72.08178	5.7
79.05494	74.3
81.03415	81.7
81.07038	17.4
83.04962	12.4
84.62705	4.5
85.02897	17.0
87.04445	5.4
87.57278	4.5
90.09338	4.1
91.04968	6.5
91.05490	79.7
93.03390	4.6
93.07047	45.7
95.01329	11.9
95.04958	38.3
95.08596	8.9
97.02888	18.1
97.06525	12.6
99.04439	9.9
103.05457	14.0
105.07037	54.2
107.04951	35.2
107.08560	11.7
109.02865	30.2
109.06544	21.4
109.10008	4.3
111.04450	32.9
113.05992	7.7
115.05428	13.8
116.31480	5.3
117.07048	31.3
119.08611	8.9
121.02853	18.0
121.06497	38.0
123.04424	19.9
123.08044	21.1
125.05989	20.1
127.03931	21.2
128.06200	8.1
129.07013	23.4
131.04912	9.7
131.08534	20.2
133.06482	35.4
135.04402	16.7
135.08044	19.4
137.05939	22.0
139.03937	10.1
141.06955	11.6
144.05638	6.8
145.02821	13.9
145.06497	26.9
145.10080	6.5
147.08049	18.8
149.06000	16.5
149.09515	5.2
151.07529	66.6
152.05963	4.7
153.05458	14.0
155.08525	10.7
157.06493	9.1
159.08063	25.6
161.05975	14.6
163.03958	7.6
163.07552	31.8
165.05479	7.8
165.09077	6.6
169.06566	6.1
171.08025	5.1
173.05939	4.9
173.09589	12.4
175.07564	18.7
177.05475	30.7
177.09120	17.1
179.07042	8.2
181.08563	9.3
183.08069	9.0
184.24992	4.5
187.07504	25.8
189.09117	6.2
191.10625	7.6
193.08524	8.1
201.09154	24.7
203.07004	13.5
205.08583	23.8
211.07472	4.5
219.10161	20.0
223.09621	6.5
229.08594	11.9
247.09698	28.6
265.10687	100.0
265.15408	6.4
266.10947	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	25.5
55.01868	80.6
55.05510	9.1
57.03434	11.4
65.03917	7.5
67.05502	26.1
69.03420	41.3
69.67268	39.5
71.01340	5.4
71.03036	5.2
71.04972	13.4
79.05480	73.4
80.23209	5.2
81.03416	88.9
81.07040	15.1
83.04974	13.1
83.08623	6.0
85.02885	12.2
87.04455	5.0
91.05480	76.3
91.65403	4.5
93.03401	5.7
93.07034	53.2
93.09534	4.9
95.01320	10.8
95.04955	37.7
95.08604	16.3
97.02874	21.2
97.06528	7.9
99.04428	12.1
103.05455	11.7
105.07016	59.5
107.04942	31.4
107.08593	16.4
109.02862	48.5
109.06490	13.2
111.04440	32.4
113.05968	6.2
115.03934	6.7
115.05453	17.8
117.03372	7.9
117.06999	33.9
118.86331	5.0
119.04981	10.1
119.08570	16.6
121.02852	15.6
121.06485	28.2
123.04422	17.8
123.08071	20.8
125.06017	25.0
127.03905	27.3
128.06230	10.4
129.06982	22.1
131.04932	13.0
131.08607	31.8
133.06483	33.6
135.04410	24.4
135.08043	31.4
137.05948	21.2
139.03903	7.1
139.07513	8.9
141.06960	16.2
145.02916	8.5
145.06456	25.8
145.10138	8.4
147.08057	30.9
148.21329	6.2
149.05978	19.8
149.09604	13.8
151.07550	68.2
153.05493	11.9
153.07036	8.4
155.08589	12.4
157.06456	7.9
159.08006	28.6
161.05969	9.9
161.10794	5.0
162.65497	5.3
163.03973	8.5
163.07552	35.2
165.05507	4.9
165.06964	6.3
165.09070	6.7
173.05997	6.4
173.09592	19.6
175.07510	24.5
177.05437	16.1
177.09117	28.4
179.07030	10.8
181.08612	9.9
183.08052	7.4
187.07545	27.0
191.07024	6.9
193.08589	14.1
201.09114	22.6
203.07034	6.6
205.08611	24.4
219.10136	24.6
229.08609	12.4
229.13304	18.6
247.09621	28.2
265.10706	100.0
265.15353	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.107
Annotation	Engelharolide
Peak:m/z	Relative Intensity
53.03939	10.4
55.01878	33.7
55.05500	8.7
56.96554	22.4
57.03440	7.0
59.53850	5.0
62.83739	4.9
65.03922	5.6
67.05498	19.4
69.03429	30.3
69.07066	9.7
69.44975	26.3
69.45393	16.9
71.04982	16.1
79.05489	44.3
81.03422	53.1
81.07066	23.3
83.04987	14.0
85.02905	10.1
85.06498	5.4
87.04459	6.0
91.05489	38.8
93.03468	5.9
93.07033	31.3
95.04971	23.0
95.08611	11.6
97.02902	10.8
97.06506	15.2
98.21545	8.5
98.97591	16.4
99.04452	6.1
103.05449	13.5
105.07025	32.2
107.04948	25.8
107.08613	17.2
109.02871	26.3
109.06528	10.7
111.04427	15.5
111.06860	5.3
111.08076	6.3
115.05432	42.0
116.98608	13.0
117.07015	59.4
119.04918	5.8
119.08581	10.9
121.02842	5.5
121.06498	24.9
123.04406	9.6
123.08047	12.6
123.11668	6.3
125.06001	12.4
127.03897	11.3
128.06213	13.1
129.06990	18.0
130.04137	7.4
131.04938	10.1
131.08583	23.8
133.06487	15.8
134.99648	14.3
135.04417	7.1
135.08047	19.7
137.05975	21.3
137.09630	5.6
139.03900	6.1
141.06940	9.5
143.04921	6.9
144.05708	7.6
145.06477	99.7
145.10109	11.8
146.99692	5.2
147.04395	5.1
147.08063	15.0
149.05937	11.5
149.09605	7.9
151.07530	30.0
155.06050	13.6
156.05728	19.9
157.06458	13.3
159.08049	18.0
161.05919	11.5
163.03972	8.0
163.07513	22.6
165.06909	7.1
167.07086	8.5
173.05994	100.0
173.09607	8.4
175.07555	15.1
177.00745	6.5
177.09103	9.5
187.07512	22.0
189.09099	5.6
190.06247	36.6
191.06844	7.5
191.10698	9.4
193.08658	6.8
194.07256	9.6
201.09111	12.6
202.06207	5.4
203.07004	18.0
205.06670	4.2
205.08571	80.0
215.06554	7.1
217.08591	49.8
218.09329	5.7
219.10150	16.9
222.06859	4.5
223.60724	4.6
229.08742	7.1
247.09682	23.3
265.08313	7.9
265.10690	58.3
265.13828	6.0
265.14554	5.9
285.11014	6.0
287.05463	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	265.107
Annotation	Engelharolide
Peak:m/z	Relative Intensity
51.02370	4.6
51.28043	3.2
51.59252	3.0
53.03942	19.2
55.01595	4.6
55.01868	79.0
55.05495	7.6
57.03425	10.8
57.71912	3.1
58.53052	3.3
63.01578	3.0
65.03930	5.9
67.05500	27.5
69.03421	46.9
69.07056	4.7
69.76929	3.3
70.13814	11.9
71.01356	7.9
71.04979	8.6
71.14704	3.6
79.05488	70.8
81.03417	88.4
81.07063	20.3
83.04965	15.0
85.02896	16.2
87.04463	5.6
91.05479	79.2
93.03371	6.2
93.07038	47.3
94.64951	3.1
95.01316	10.4
95.04958	52.7
95.08606	18.3
97.02876	14.5
97.06503	8.7
99.04436	11.7
103.05446	13.2
105.07022	53.0
107.04947	37.6
107.08568	9.8
109.02879	37.5
109.06495	15.0
111.04427	36.2
115.05447	19.5
117.07014	35.0
119.04913	10.3
119.08557	11.8
121.02822	12.1
121.06488	30.9
123.04411	18.9
123.08073	22.7
125.06005	24.7
127.03904	19.1
128.06242	6.1
129.07005	23.7
131.04930	13.6
131.08557	28.8
133.06488	39.7
135.04388	23.2
135.08064	26.3
137.05978	18.9
139.03853	4.3
139.07500	5.4
141.05518	5.4
141.06993	9.9
144.05664	5.2
145.06462	32.1
145.10103	12.0
147.04398	5.9
147.08070	22.7
149.05968	18.1
149.09615	10.1
151.03897	5.2
151.07536	69.8
153.05467	12.7
153.06941	5.4
155.08560	11.7
157.05089	4.1
157.06490	7.4
159.04312	4.0
159.08049	23.5
161.05986	7.4
163.03885	7.4
163.07539	32.5
165.06960	6.5
165.09094	5.3
167.07089	5.1
169.06441	3.7
171.08131	3.7
173.05988	4.5
173.09528	19.3
175.07547	25.5
177.09059	22.3
179.07060	7.9
181.08563	9.7
183.08034	8.8
187.07549	27.8
189.09029	8.7
191.06897	3.9
191.10742	4.7
193.08583	12.5
201.09094	20.2
203.06898	8.3
205.08591	23.7
207.84752	3.3
217.08559	3.5
219.10127	20.1
229.08569	19.2
235.09537	3.4
247.09679	23.4
265.07999	6.0
265.10696	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.107
Annotation	Engelharolide
Peak:m/z	Relative Intensity
50.23222	4.3
53.03930	20.8
55.01871	80.4
55.05505	26.6
55.55890	4.4
55.81881	4.4
56.96545	8.6
57.03431	9.8
57.07063	9.1
65.03937	8.0
67.05501	48.0
68.97791	4.3
69.03423	50.9
69.07061	27.8
71.04997	11.3
71.57639	7.5
79.05492	100.0
81.03413	96.0
81.07054	75.9
83.04977	23.1
83.08630	11.9
85.02892	15.1
85.06534	11.0
85.81159	4.6
87.04450	11.0
91.05474	79.7
93.07042	65.6
95.01311	7.9
95.04979	61.0
95.08605	45.9
97.02896	21.7
97.06529	12.5
99.04442	18.7
103.05453	14.6
105.07018	66.2
107.04948	46.4
107.08590	33.6
109.02886	41.6
109.06515	28.4
109.10146	17.7
111.04470	31.6
113.05971	7.1
115.03845	4.3
115.05464	23.2
117.07011	36.4
119.04922	8.2
119.08610	27.6
121.02861	19.0
121.06504	47.1
121.10143	19.3
123.04436	17.6
123.08060	25.8
123.11690	15.1
125.05983	28.0
127.03911	15.2
128.06242	7.6
129.07001	24.8
131.04932	11.3
131.08545	37.5
133.06497	43.0
133.10123	12.5
135.04428	27.4
135.08054	34.9
135.11687	10.0
137.05962	21.8
137.09607	7.5
137.13228	7.1
139.03926	7.7
139.07562	6.5
141.05455	4.5
141.06956	14.5
143.08522	9.2
145.06483	32.3
145.10085	17.4
147.04427	5.9
147.08026	36.4
149.05954	21.8
149.09630	14.0
149.13216	5.5
151.03963	7.4
151.07529	63.7
152.23799	4.6
153.05463	20.1
155.08537	21.5
157.06506	13.1
159.08038	33.8
159.11662	7.1
161.05959	15.0
161.09624	9.9
163.03922	11.9
163.07544	36.1
163.11182	7.3
165.07010	9.3
165.09177	5.7
167.07085	9.2
171.11766	4.9
173.05994	10.3
173.09607	17.4
173.13264	4.9
175.07541	24.3
177.05490	6.4
177.09114	22.4
179.07014	8.1
181.08556	9.0
183.08008	11.2
187.07576	26.3
191.07022	11.3
191.10669	15.3
193.08586	14.1
195.11688	10.0
201.09154	22.4
203.07014	7.1
205.08569	29.1
219.10091	21.9
221.08084	5.5
229.08694	10.5
247.09688	30.2
247.16905	9.9
250.09834	6.3
265.03448	8.2
265.08017	5.8
265.10663	93.5
265.17987	10.2
265.21970	6.4
265.24783	9.3
285.54181	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	265.1072
Annotation	Engelharolide
Peak:m/z	Relative Intensity
53.03934	13.2
55.01630	3.9
55.01870	58.4
55.05502	8.9
57.03434	9.8
58.90937	3.4
60.31714	3.2
65.03941	7.8
67.05493	24.0
68.81808	3.4
68.99762	3.1
69.03136	3.1
69.03431	35.5
69.07064	8.5
69.80053	6.6
69.80447	10.4
71.01353	9.2
71.04972	11.0
79.05494	51.8
81.03414	65.3
81.07052	19.0
83.04968	13.3
85.02903	10.4
87.04458	6.1
91.05488	58.4
93.03409	6.0
93.07048	37.5
93.23672	3.1
95.01300	4.5
95.04974	35.3
95.08614	17.1
95.09155	3.7
97.02888	13.9
97.06498	8.9
99.04444	9.0
103.05456	8.8
105.07032	47.3
107.04929	25.8
107.08598	12.0
109.02876	30.0
109.06512	14.8
109.10164	7.8
111.04459	23.1
111.08015	3.7
113.05965	5.9
115.03913	5.1
115.05442	13.0
116.06239	5.4
117.07014	27.5
119.04924	6.0
119.08588	18.7
121.02873	5.4
121.06499	22.2
121.10163	7.3
123.04473	16.5
123.08066	12.8
123.11681	4.0
125.05975	15.4
127.03896	12.3
128.06215	7.9
128.38858	3.4
129.07010	18.5
131.04933	13.9
131.08563	31.3
133.06465	27.4
133.10144	5.9
135.04390	15.1
135.08032	26.7
135.11676	5.9
137.05962	17.6
137.09589	4.9
139.03888	5.7
139.07527	7.0
141.06976	13.3
143.08577	4.2
144.05661	3.2
145.06459	25.2
145.10114	11.7
147.08061	18.9
149.06010	21.9
149.09607	11.2
151.07538	51.9
153.05489	11.3
155.08574	16.6
157.06464	7.4
159.08041	26.3
159.11673	4.2
161.05951	7.0
161.09587	5.4
163.07568	28.5
165.06885	5.2
165.09097	5.4
167.07094	7.2
167.08499	3.2
169.06482	4.7
173.05978	5.1
173.09589	12.1
175.07564	12.6
175.57753	3.1
177.09097	28.8
179.06999	12.4
181.08548	6.1
183.08028	8.0
186.25343	3.5
187.07571	22.7
189.09067	5.7
191.06970	4.6
191.10667	4.4
193.08609	10.3
195.11736	4.4
201.09050	16.5
203.07051	5.1
205.08588	22.5
209.13203	7.2
217.08640	4.4
219.10083	19.5
223.14641	5.2
229.08598	9.6
235.09650	3.8
247.09691	26.5
248.46761	3.2
265.08035	5.3
265.10715	100.0
265.15207	6.4
265.19678	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03932	1.6
55.05314	1.3
55.05507	12.8
57.03437	1.7
57.07073	13.2
65.03936	2.1
67.05500	82.5
69.07064	19.3
71.03232	3.4
71.05000	2.6
71.08627	6.8
79.05485	21.1
81.07049	100.0
83.04978	3.1
83.08615	15.5
85.06525	5.3
85.10165	4.7
91.05472	19.6
93.06487	1.5
93.07037	20.4
93.78649	1.2
95.04959	2.7
95.08601	87.6
97.06544	6.7
97.10167	4.6
99.08084	5.9
105.07022	11.5
107.08587	14.4
108.82044	1.3
109.06533	1.2
109.10148	46.6
111.08082	5.2
111.11702	1.6
113.09616	3.5
118.98814	1.3
119.08571	12.3
121.10139	18.8
123.08037	3.1
123.11697	17.7
125.09618	2.4
127.11190	1.9
133.10126	16.2
135.07970	1.2
135.11658	10.2
137.09526	3.0
137.13219	7.5
141.12787	1.5
144.30399	1.4
147.11694	9.4
149.13229	11.4
151.14777	6.8
161.13214	10.2
163.14818	7.0
165.16339	8.5
175.14769	5.5
177.16412	1.7
179.17952	2.2
189.16348	3.7
238.08575	1.6
242.86049	1.2
245.22639	28.7
263.23672	53.7
264.24042	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03934	2.2
54.15697	0.7
55.01876	1.0
55.05266	1.1
55.05510	14.9
57.03428	1.4
57.06835	0.9
57.07074	10.6
65.03924	3.0
67.05502	87.1
69.07061	14.7
69.41813	3.0
69.42238	3.8
71.04974	1.5
71.08631	6.2
72.29031	0.7
79.05492	25.9
81.03423	1.3
81.07055	100.0
83.04980	2.1
83.08148	1.1
83.08618	13.7
85.06532	3.9
85.10162	2.8
91.04968	1.2
91.05478	15.3
93.07043	23.9
95.04945	2.6
95.08603	87.1
96.08907	0.9
97.06532	7.6
97.10152	5.8
98.20763	1.8
99.08097	5.0
105.07023	12.3
107.08595	12.0
109.06493	1.6
109.10151	44.8
111.08080	4.3
111.11677	1.3
113.09629	4.1
119.08581	11.3
121.10144	15.9
123.08054	4.3
123.11700	18.9
125.09684	0.9
127.11184	1.7
131.08542	0.8
133.10114	15.3
135.11697	10.0
137.09579	2.7
137.12289	1.0
137.13243	7.1
141.12711	2.1
147.11678	9.5
149.13251	7.5
151.11182	1.0
151.14815	7.3
155.14352	1.2
156.87151	0.9
161.13242	9.2
163.14784	7.2
165.16360	7.2
166.77530	0.9
167.14368	1.1
175.14789	6.0
177.16383	1.8
179.17941	2.7
181.15842	1.6
189.16368	4.4
203.17943	1.9
207.17494	0.7
217.19463	1.0
245.22655	26.6
263.23691	51.2
264.24118	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
55.05513	16.4
55.66626	2.0
57.07074	15.1
65.12263	2.5
67.05506	90.6
67.51210	1.9
69.07059	17.3
71.04993	2.8
71.08624	5.2
71.16966	5.2
72.79919	2.2
79.05489	21.3
81.07056	100.0
83.04988	4.0
83.08610	14.8
85.06570	3.1
85.10174	2.7
91.05482	21.3
93.06474	2.8
93.07041	29.0
94.07327	2.4
95.05006	2.6
95.08607	88.4
97.06492	6.6
97.10175	4.8
99.08076	6.0
103.99162	2.1
104.99251	6.6
105.06998	10.8
107.08579	17.9
109.10156	40.5
111.08071	4.0
113.09658	3.8
119.08572	12.9
121.10112	14.8
123.08057	2.7
123.11692	21.3
133.10150	14.0
135.11702	11.8
137.13239	9.9
141.12735	2.9
147.11662	9.9
149.13277	7.1
151.14798	4.7
161.13309	10.1
163.14812	6.5
165.16418	4.7
175.14789	7.8
177.16411	3.0
179.17972	4.3
189.16269	3.8
203.17979	3.0
245.22620	23.1
263.23666	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03936	1.7
55.05507	17.9
57.03417	1.4
57.07070	10.7
65.03924	2.9
67.05505	84.4
69.07072	15.2
71.04980	3.7
71.08633	7.7
71.58722	2.3
79.05492	23.5
81.07056	100.0
83.04982	1.9
83.08612	15.3
85.06530	5.4
85.10171	2.1
91.05481	19.5
93.07040	22.6
95.04981	2.9
95.08605	85.8
97.06518	6.8
97.10153	6.9
99.08086	6.2
105.07040	13.1
105.64919	1.4
107.08604	13.5
109.06538	1.6
109.10154	42.9
111.08058	5.2
112.02538	1.3
113.09641	3.8
114.94335	1.5
119.08573	14.4
121.10147	14.2
123.08063	1.8
123.11707	17.9
127.11166	2.1
133.10147	15.8
135.11697	9.9
137.09578	2.3
137.13269	9.5
141.12746	1.7
145.16859	1.6
147.11697	10.7
149.13240	8.0
151.11082	1.7
151.14821	7.2
161.13275	10.3
163.14801	6.5
165.16319	10.5
175.14841	4.8
177.16399	2.3
179.17955	2.6
189.16365	4.5
204.13354	2.2
207.33926	1.5
233.09891	1.6
245.22623	29.7
247.11630	6.3
248.12422	5.6
263.14673	38.8
263.20682	3.3
263.23694	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	263.0913
Annotation	Nigrolineabiphenyl A
Peak:m/z	Relative Intensity
53.03949	16.8
55.01871	11.0
56.96572	2.0
57.03438	2.8
65.03941	15.4
67.05509	3.8
69.03429	46.2
69.07074	1.7
71.01344	2.1
71.04993	5.2
71.56705	2.2
79.05494	11.9
81.03417	100.0
81.07048	4.9
83.04981	2.3
85.02895	9.7
91.05482	67.7
93.07040	6.4
95.01336	6.3
95.04962	8.9
95.08608	2.7
97.02892	8.4
99.04452	11.8
103.05453	5.9
105.03373	1.8
105.07030	11.5
107.04939	7.1
109.02880	31.6
109.06511	2.3
111.04436	2.3
112.22019	1.4
115.05463	7.0
116.98605	1.8
117.06999	9.6
119.04970	8.9
119.08556	2.4
121.02908	1.8
121.06530	5.6
123.04423	5.5
125.05998	2.0
127.03120	1.7
127.03899	9.4
128.06232	6.9
129.07001	6.1
131.04936	7.0
131.08592	3.4
133.06480	7.7
134.09660	1.9
135.04420	6.8
137.05971	6.1
143.08563	3.0
145.06509	9.6
147.04390	3.2
147.08037	4.5
149.05960	9.5
152.43233	1.4
153.01807	2.8
153.05476	3.2
157.06517	4.5
161.02640	1.5
161.05992	8.9
163.07573	2.9
171.08069	3.3
173.05966	4.3
175.03954	1.8
175.07556	8.4
177.05530	5.3
179.03584	1.7
185.06044	2.1
189.05466	2.2
189.09023	3.3
191.07021	2.7
199.07579	2.7
199.12285	1.8
203.07031	8.4
214.10985	2.7
217.08723	3.1
219.26163	1.5
227.07155	1.8
235.02585	1.7
235.09644	2.7
245.08139	4.4
245.12798	4.6
263.01941	2.8
263.09134	22.5
263.13995	5.6
264.45752	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03949	3.1
55.05510	21.3
57.03437	2.3
57.07055	5.0
67.05502	54.5
69.07073	14.6
69.47094	10.2
69.47505	3.8
71.04967	3.2
71.08601	2.5
73.20968	1.8
77.03905	1.9
79.05493	72.4
81.06584	3.6
81.07056	68.1
81.07525	4.5
83.08639	8.8
85.06536	3.5
91.05478	39.7
91.60672	1.7
93.07041	100.0
93.98586	1.7
95.04955	9.4
95.08604	47.2
97.06522	4.7
97.10146	3.5
98.21452	3.4
99.08077	5.0
105.07033	26.3
107.08587	63.3
109.06515	2.4
109.10159	19.0
111.08049	2.8
117.07008	7.8
119.08575	21.3
121.10140	56.0
123.08109	2.1
123.11694	6.3
131.08545	20.1
133.10143	18.2
135.11688	43.1
137.13278	2.7
145.10129	19.1
147.11644	14.2
149.12071	2.1
149.13255	33.5
159.11702	13.3
161.13240	12.5
163.14833	24.9
165.12671	2.5
173.13268	15.1
175.14816	5.7
177.16357	4.9
187.14882	8.5
192.34785	1.6
200.96159	2.1
201.16364	3.9
219.17534	2.8
243.21085	37.9
261.22141	94.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03928	2.7
55.05510	21.0
57.07054	5.8
65.03940	3.6
67.05502	58.5
69.07064	15.8
69.35281	15.9
71.04971	2.8
71.08640	1.9
79.05491	78.4
81.07053	59.6
82.44011	1.4
83.04957	1.7
83.08615	8.8
85.06528	5.2
91.04897	2.2
91.05475	41.0
93.07037	100.0
95.04951	6.0
95.08605	44.3
97.06534	3.8
97.10143	5.7
98.21536	2.8
99.08077	4.4
102.92455	1.6
102.99907	1.8
105.07030	23.1
107.07874	3.0
107.08587	56.3
109.06514	5.2
109.10158	14.2
111.08052	5.3
117.06987	8.9
119.08579	15.2
121.10138	44.2
123.08043	3.3
123.11701	5.5
131.08562	21.9
133.10123	15.2
135.11688	42.9
145.10120	19.6
147.09938	1.7
147.11688	11.9
149.13252	30.4
151.11150	1.6
159.11633	9.7
161.13290	14.6
163.14815	24.0
173.13235	13.3
175.14806	5.9
177.16385	4.3
179.14247	1.6
187.14760	6.4
201.16360	3.2
215.18108	2.2
220.21310	1.7
243.21071	32.0
261.22116	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	1.1
53.03942	4.9
55.05264	1.6
55.05510	20.2
56.96551	1.4
57.03429	1.8
57.07069	6.7
65.03931	2.8
67.05504	59.3
69.07066	18.3
69.94187	6.0
70.97798	1.1
71.04978	3.5
71.08609	1.2
77.03896	1.8
79.05489	76.4
81.07053	66.2
83.04951	1.6
83.08611	9.3
85.06544	4.8
91.04894	1.4
91.05479	43.7
93.07040	100.0
95.04961	8.0
95.08600	49.2
97.06512	3.7
97.10159	3.6
99.08092	5.3
105.04504	2.1
105.07029	28.3
107.08590	63.7
109.06511	3.2
109.10152	17.5
111.08075	4.0
113.09638	3.3
117.07014	11.7
119.06134	1.1
119.08577	23.2
121.10136	55.0
123.08030	3.8
123.11737	5.4
125.09612	1.9
130.07782	1.3
131.08545	20.6
133.10115	17.4
135.08040	1.7
135.11688	43.9
137.09604	3.4
137.13228	2.1
143.08607	1.2
145.10118	21.1
147.11693	14.5
149.09589	2.5
149.13258	35.0
151.11133	2.7
153.12721	1.2
159.11700	14.9
161.13246	14.7
161.64618	1.0
163.11127	1.5
163.14818	24.4
165.12813	1.4
171.59842	1.1
173.13246	15.1
175.14806	5.8
177.16391	5.2
179.14331	2.4
187.14861	8.0
189.16481	1.8
191.14223	1.2
201.16299	4.8
205.14102	3.0
205.15843	1.6
215.18030	1.9
233.22745	1.6
243.17419	1.8
243.21083	36.8
261.04077	2.4
261.22128	95.7
262.14365	1.2
280.53488	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33095	3.3
56.96559	9.4
60.99036	3.1
70.53069	10.9
85.02895	4.8
97.02898	5.0
98.97562	4.4
100.99145	5.3
101.00888	18.4
104.10766	21.7
105.40379	3.0
105.48239	3.3
106.08596	3.4
115.59826	3.3
116.54749	3.2
116.98605	5.8
119.01918	48.9
128.98634	3.6
129.41885	3.1
131.01898	21.2
137.02980	7.4
143.01903	38.7
145.03468	6.1
149.02925	6.3
155.01903	15.2
157.03474	11.4
161.02965	100.0
173.02991	28.8
184.04596	5.2
185.02991	8.9
188.79498	3.3
190.98590	4.5
191.04013	24.4
203.04015	16.0
208.99626	5.7
221.05110	7.0
226.94342	3.6
239.06122	4.6
263.01724	8.3
263.05975	30.5
281.07269	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	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77014	9.5
69.78386	83.3
77.74464	11.3
83.89291	11.0
84.19246	10.4
93.97704	9.7
98.20752	12.1
101.00873	24.2
119.01958	62.8
124.39664	10.2
124.62612	12.2
131.01909	25.4
143.01884	38.6
155.01915	14.2
155.65794	12.5
161.02972	100.0
173.02997	29.1
191.03967	25.8
216.84386	10.9
263.01584	16.8
263.06116	23.1
275.20190	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	263.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38689	0.3
53.38585	0.3
57.03436	0.9
58.99872	2.4
61.85971	0.3
63.29612	0.3
68.98289	0.3
69.03422	0.7
70.17616	1.1
70.18014	0.5
70.99863	1.6
73.02906	0.3
76.00428	0.3
76.93085	0.3
77.00907	5.7
77.84017	0.3
81.03420	2.7
82.99865	1.1
85.02891	0.6
85.08289	0.3
86.99324	0.7
89.00899	2.3
95.01953	1.9
99.04549	0.3
101.00878	18.4
105.00372	0.9
109.02888	2.7
113.00873	1.2
115.02443	3.5
119.01918	66.4
120.02020	1.2
127.02420	1.5
129.00381	0.4
131.01918	4.7
133.03459	4.9
135.01453	0.6
137.02960	15.6
139.02412	2.8
139.03383	0.4
142.03505	1.1
143.01897	12.1
145.03461	13.3
147.01350	0.6
147.05026	0.4
149.02960	0.7
151.04480	0.6
153.02451	1.2
155.01930	0.7
156.02731	0.4
157.03465	30.7
158.03630	0.5
159.01399	4.1
161.02953	42.9
162.03105	0.9
163.04512	2.9
167.01868	1.8
169.03477	0.9
173.02946	1.4
174.73717	0.4
175.04521	13.2
177.02426	0.8
179.04005	2.2
184.04607	1.0
185.02954	9.1
187.04552	2.8
191.04037	0.9
198.06189	0.5
203.04001	14.7
221.05058	11.6
227.04019	1.0
239.06093	10.0
244.06654	0.4
245.05063	3.3
263.06110	100.0
264.06351	3.1
274.50226	0.3
281.07175	37.1
282.07437	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1848
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
55.01857	1.7
55.05504	13.6
57.03436	1.5
57.07058	3.9
65.03934	1.5
67.05180	1.5
67.05506	19.7
69.07066	7.8
69.56299	12.3
71.04981	4.9
71.08641	2.4
75.62555	1.4
79.05493	19.2
81.07056	20.1
83.04958	2.1
83.08595	4.0
85.02888	2.7
91.05476	51.2
93.07036	26.6
95.04958	2.9
95.08606	14.0
97.06509	1.6
97.10163	1.5
98.20798	2.6
100.36843	1.4
103.05446	1.9
105.07026	38.1
107.04935	2.8
107.08582	11.7
109.06509	1.7
109.10145	8.4
111.04436	11.7
115.05442	5.1
116.06217	4.0
117.07014	52.1
119.08579	19.7
121.06476	4.6
121.10127	9.3
129.06992	18.1
130.07767	5.0
131.04851	1.5
131.08560	100.0
133.10118	14.1
135.08032	1.8
135.11690	6.8
141.06999	4.5
142.07817	1.7
143.08549	8.7
144.09335	2.5
145.06477	3.1
145.10115	68.6
147.08043	5.2
147.11641	8.1
149.13274	2.0
155.08484	3.5
157.10120	4.6
159.08028	6.0
159.11697	23.3
161.09601	1.8
161.13237	6.6
163.07544	2.4
169.03461	2.3
169.10118	7.7
171.01393	3.3
173.09650	13.1
173.13307	10.1
175.14853	1.8
177.09085	6.2
183.11731	4.5
187.11160	10.5
187.14836	4.9
187.63672	1.5
190.44482	1.7
191.10669	25.8
199.14803	6.2
201.12697	2.1
201.16376	44.8
203.17917	5.6
205.12259	5.4
215.14496	2.7
215.17957	15.2
225.16385	6.7
243.17424	20.6
243.21112	3.9
261.03992	3.1
261.18494	96.9
261.21927	6.6
262.14487	4.7
262.18930	1.9
279.18011	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.23769	3.1
53.03951	4.0
53.54578	2.9
55.05501	21.6
56.96559	3.4
57.07070	11.1
64.48351	3.1
65.03936	4.3
67.05502	60.4
69.07066	19.0
70.83041	10.4
79.05490	77.1
81.07047	63.4
83.08598	9.7
91.05477	41.4
93.07042	93.2
95.04970	12.1
95.08600	55.3
97.06522	5.3
99.08096	5.1
105.07031	33.8
107.08591	67.1
109.10162	24.1
111.69454	3.2
117.07024	11.2
119.08569	23.4
121.10134	56.6
123.11743	6.4
131.08575	24.8
133.10139	20.0
135.11694	43.9
145.10089	21.6
147.11693	17.0
149.13229	39.1
159.11710	20.1
161.13260	14.4
163.14818	22.1
173.13286	13.3
175.14862	5.8
177.16454	6.5
187.14799	9.9
201.16376	5.0
215.17982	4.2
243.21078	29.7
261.03970	4.7
261.13101	4.8
261.22165	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02385	1.5
53.03941	6.4
53.17766	1.3
54.22347	1.2
55.01863	1.4
55.05511	19.4
55.69215	1.2
57.03429	1.7
57.07084	6.9
65.03941	2.6
67.05503	57.4
69.07068	15.7
71.05008	2.6
71.08607	2.3
71.19063	3.0
79.05492	79.6
81.07055	72.9
83.08624	9.3
83.52761	1.3
85.06525	5.3
87.48589	1.4
91.05478	44.2
93.07043	100.0
95.04980	8.0
95.08608	52.4
97.06528	5.6
97.10150	4.5
99.08085	4.2
105.07021	26.6
107.08595	59.2
108.82925	1.2
109.06514	2.0
109.10159	16.3
111.08077	5.2
117.07014	13.4
117.37024	1.5
119.08585	21.6
121.10140	50.9
123.08092	1.6
123.11719	3.7
129.31491	1.4
131.08582	23.2
133.10146	16.4
135.11697	41.3
137.09607	2.8
145.10124	18.3
147.11679	13.4
149.09578	1.4
149.13252	34.0
151.11189	2.0
151.14801	1.4
153.12735	1.6
159.11659	13.0
161.13269	19.2
163.14810	24.6
165.12798	1.5
173.13274	14.1
175.14772	6.5
177.16364	4.3
179.14409	1.8
187.14833	9.7
189.16415	1.5
197.46002	1.5
201.16447	4.1
205.15877	1.8
233.22482	1.8
243.21109	36.7
261.22137	90.6
262.14453	3.3
262.22485	1.7
278.65088	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55586	1.4
53.03936	4.6
55.01866	2.8
55.05502	18.9
57.03442	1.4
57.07064	5.8
65.03933	1.7
67.05502	57.3
69.07066	17.7
71.04982	4.1
71.08628	3.2
74.20595	1.3
79.05490	80.8
81.07055	63.9
82.21394	1.4
83.08622	9.3
85.06531	5.0
91.04907	2.4
91.05479	41.2
92.57691	1.5
93.07040	100.0
95.04980	9.8
95.08601	48.7
97.06517	4.1
97.10158	2.5
98.21638	3.0
99.08109	3.9
105.04521	2.5
105.07023	25.6
107.08591	61.4
109.06524	3.9
109.10159	17.8
111.08049	3.6
111.11690	1.6
117.07015	10.2
119.08585	22.0
121.06490	1.3
121.10146	54.3
123.08082	2.8
123.11718	7.5
131.08549	20.1
133.10126	16.2
135.11682	40.8
136.46062	1.4
137.09595	2.6
137.13243	1.7
145.10109	20.3
147.11676	13.6
149.09627	1.8
149.13257	29.4
149.52666	1.5
151.11176	1.5
151.14871	1.9
155.98433	1.3
159.11703	15.5
161.13237	14.9
163.11172	2.2
163.14821	23.9
165.67091	1.3
173.13252	11.7
175.14813	5.7
177.12761	1.6
177.16365	6.0
179.14207	1.5
187.14850	8.5
189.16380	1.9
201.16350	5.0
215.17970	2.4
233.22508	1.7
243.02855	1.4
243.21089	34.0
252.09204	1.3
254.67975	1.3
261.04007	1.8
261.22134	85.6
262.14450	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	261.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	3.7
61.87670	0.8
62.24754	0.6
65.82652	0.6
70.41530	1.8
75.63831	0.7
84.15954	0.5
98.97572	8.0
101.00877	1.1
102.96870	1.1
116.98618	10.7
117.98956	0.7
119.01917	8.3
120.97871	0.9
132.02451	0.7
134.99658	7.9
137.02966	3.4
138.98907	1.0
153.00758	1.6
158.99802	1.3
176.99382	1.0
177.00943	16.0
178.01010	1.4
179.00771	1.4
185.33141	0.7
191.02441	0.7
217.04076	2.3
218.03645	1.1
219.01994	21.7
220.02257	1.6
221.01772	8.5
222.01910	0.8
225.00841	1.5
237.02863	1.2
237.98761	1.0
238.98549	0.8
243.01918	5.2
261.00018	3.6
261.03049	100.0
262.03152	6.7
272.97684	0.7
278.96918	1.4
279.00644	6.0
284.04568	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	261.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
56.96558	23.4
57.03419	2.6
61.02913	3.5
69.03407	6.5
69.84447	10.8
71.04998	3.0
81.03424	5.0
83.04967	3.9
84.96021	2.5
85.02889	6.3
86.09705	2.2
97.02921	4.6
98.21443	1.7
98.97578	17.6
99.04452	4.9
101.00910	5.0
104.10727	2.7
107.06999	1.7
110.97567	4.8
113.00857	2.4
114.02693	1.8
115.02426	3.4
116.98629	14.9
119.01921	15.9
127.03880	1.9
128.98601	5.9
131.00127	2.7
131.01907	16.0
133.03493	11.6
134.99635	7.2
135.04974	3.0
137.02931	2.0
143.01888	6.0
145.03426	8.0
146.99623	4.0
149.02972	2.1
151.04535	1.9
155.01895	8.3
156.02664	3.1
157.03427	2.3
158.04990	3.8
158.99605	5.0
159.04991	7.7
161.01131	4.2
161.02995	9.6
163.04562	2.1
169.01164	1.8
170.99644	3.2
171.05025	10.9
173.03021	11.7
175.04417	3.8
177.00729	4.6
177.06140	2.7
189.00787	3.3
189.06113	10.8
201.00665	2.8
201.03741	3.8
201.06039	4.4
203.04013	5.5
219.01714	3.0
219.07018	2.8
221.05046	22.7
229.01215	2.7
229.03217	29.0
237.02788	6.8
257.00659	3.9
261.05817	61.9
261.09412	100.0
275.01794	2.3
279.09106	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	261.1485
Annotation	Parahigginic acid
Peak:m/z	Relative Intensity
53.03925	8.1
55.01860	12.6
55.05514	6.7
56.96558	10.2
57.07079	4.4
67.05505	19.9
69.07053	5.3
70.98146	11.5
71.05000	6.0
75.88838	3.1
77.79223	3.2
79.05498	27.3
81.03420	22.5
81.07047	18.7
91.05467	28.3
93.07044	40.5
95.04958	9.8
95.08620	38.2
103.05444	16.4
105.07030	22.1
107.04961	8.2
107.08579	15.2
109.10127	6.2
111.04429	10.2
117.07020	15.7
119.08583	10.1
121.06509	100.0
121.10149	10.3
123.08096	23.9
123.11669	5.0
129.06978	5.7
131.08572	21.7
133.06537	7.3
133.10153	9.0
135.08051	5.2
135.11700	5.6
143.08554	3.8
145.06483	10.4
145.10146	13.5
147.08067	5.3
147.11755	3.6
149.09599	5.0
149.13280	5.0
155.08527	11.1
157.10123	5.8
159.08037	11.7
159.11697	6.2
161.09738	4.1
161.13322	5.4
173.09622	22.3
173.13280	8.1
177.09152	3.4
177.12804	4.4
187.11130	4.2
187.14772	5.1
197.13290	10.6
199.11058	5.7
201.12761	5.4
215.05878	16.8
215.14287	27.8
219.13814	3.6
225.12650	5.7
233.06946	15.5
233.15436	5.6
238.07561	3.9
243.13785	18.8
243.21011	7.5
261.03918	10.0
261.14886	43.8
261.18454	6.3
261.22018	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	258.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13017	0.9
52.23167	0.9
56.96303	1.0
56.96565	17.0
68.04969	0.9
68.92521	1.0
71.38481	0.9
71.38822	2.2
71.95258	2.7
98.88357	1.1
98.97581	100.0
99.97838	1.2
112.99088	1.0
116.98619	84.8
119.01943	1.4
126.20922	1.0
134.99660	47.8
140.00145	1.9
143.48764	1.0
153.00745	6.6
158.01161	1.5
162.50305	1.2
165.92734	1.0
170.35262	1.1
177.00934	1.2
180.96225	1.2
215.06419	1.1
217.07465	1.0
219.02025	9.5
220.02072	3.5
234.99763	1.6
240.98712	4.0
258.99759	41.6
259.99896	2.0
277.00793	83.0
278.01044	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	259.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44035	3.2
52.61292	3.4
55.05515	12.3
56.96548	5.2
57.03434	3.8
57.07070	4.2
63.71757	3.3
67.05499	13.8
69.07059	6.2
71.05002	4.5
79.05493	14.3
81.07056	11.2
83.08634	5.7
90.32567	3.8
91.05458	29.6
91.28807	3.4
93.07028	17.3
95.08601	10.9
105.07038	28.4
107.08610	5.7
115.05444	6.6
117.07012	43.6
119.08573	15.9
120.82500	4.1
121.10078	3.6
128.06232	16.0
129.06999	56.7
130.07797	5.1
131.08569	29.9
133.06509	4.4
133.10123	17.1
141.06989	7.1
142.07761	11.5
143.08553	69.9
145.10135	17.7
147.08002	5.2
147.11667	4.3
155.08592	17.4
156.09360	6.5
157.10095	50.0
157.11281	3.9
159.11699	13.1
165.09151	5.0
167.08557	6.8
169.10155	5.9
171.11644	30.9
181.10094	7.9
183.11723	5.3
185.09618	9.4
185.13300	10.8
195.11664	5.4
197.13206	19.6
199.11143	11.8
199.14809	67.6
200.26329	3.7
203.10628	13.3
213.04463	5.0
213.16330	17.9
217.12169	8.8
223.14778	4.4
229.51950	4.0
234.66011	4.4
241.15897	25.9
259.16943	100.0
259.20435	12.0
259.24261	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	259.1692
Annotation	Laurenol acetate
Peak:m/z	Relative Intensity
55.01866	3.5
55.05513	15.2
57.07063	6.9
62.06075	4.6
62.54407	1.9
63.26230	1.8
63.77640	1.9
67.05503	11.6
69.07065	6.0
71.04984	3.2
71.05948	6.2
71.08628	2.2
72.04495	3.5
73.98523	2.1
79.05488	16.3
81.07043	8.7
91.05473	24.4
93.07037	9.8
95.04980	2.4
95.08586	6.4
105.06359	3.3
105.07025	25.0
107.08614	5.2
109.10171	4.1
115.05450	9.0
117.07011	39.8
119.08583	13.4
121.06509	2.0
121.10175	3.2
128.06190	17.2
129.07005	76.9
129.84566	2.4
130.07742	4.3
131.08556	30.1
133.06490	2.7
133.10139	9.3
135.11726	2.8
141.06984	6.4
142.07799	16.2
143.08556	92.7
144.09317	2.6
145.06418	3.1
145.10162	17.0
153.07027	3.0
155.08525	21.2
156.09335	6.4
157.06529	2.9
157.10126	49.7
158.10886	3.6
159.11674	20.1
161.13255	3.0
163.07524	2.4
167.08600	5.8
169.10146	6.4
171.08067	5.9
171.11679	35.2
173.09564	3.4
173.13245	2.1
175.11201	2.9
181.10115	10.4
184.12408	2.7
185.09567	13.7
185.13217	6.8
189.09114	5.9
195.11720	3.6
197.13260	20.6
199.11206	12.7
199.14816	64.3
203.10666	9.5
213.12764	5.8
213.16353	26.4
213.87984	2.2
217.12292	7.1
223.14894	12.8
231.25095	11.2
236.26512	2.2
241.15865	24.8
241.23570	6.6
259.16934	100.0
259.24481	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	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
54.86201	2.9
55.05492	9.3
56.28949	3.3
56.79392	3.4
67.02557	2.8
67.05492	11.2
69.07066	39.7
69.24407	34.9
71.04993	27.0
79.05476	8.1
81.07041	23.8
83.04993	4.3
83.08617	10.5
85.06521	26.7
88.19321	2.6
91.05466	12.9
93.07047	21.4
94.64167	3.1
95.04964	5.8
95.08614	25.1
97.06557	5.1
98.21520	5.7
105.03412	4.5
105.07038	34.0
107.08606	20.4
109.06498	7.0
109.10156	18.9
109.63759	3.2
111.08120	7.3
114.02017	2.7
117.06999	9.4
119.08575	57.6
121.06561	3.5
121.10132	15.7
121.56606	2.9
123.11705	26.9
129.06985	8.0
130.07771	4.9
131.08568	20.3
133.10129	45.3
135.08055	11.7
135.11649	8.4
142.07809	5.4
143.08537	10.6
145.10124	39.9
147.11685	23.7
149.09615	3.7
149.13257	5.9
156.09346	4.9
157.10098	13.9
159.11688	38.6
161.13251	39.0
171.11684	17.4
173.13228	18.8
175.11240	7.5
175.14833	100.0
176.15413	3.2
177.12756	4.3
185.13281	18.1
189.12788	7.7
189.16377	10.9
190.13522	4.5
191.14073	3.7
199.14848	7.6
201.16374	35.5
203.14304	9.0
215.18008	6.7
217.19501	8.1
241.19427	18.7
244.12369	4.0
259.14841	5.8
259.20581	96.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91935	5.6
52.88900	5.4
53.03943	6.4
54.38519	5.1
55.01862	14.2
56.71732	5.7
56.96555	15.5
57.03440	9.7
60.04526	13.5
61.46542	5.2
62.30239	6.5
65.03930	8.7
67.01856	6.4
67.05505	9.4
68.05025	8.2
69.03429	15.3
69.67903	27.5
69.68307	14.0
72.04512	27.3
73.02882	6.8
73.05297	6.7
74.06068	8.7
79.05489	16.4
80.05012	10.4
81.03423	14.6
82.06561	11.0
83.01349	29.5
83.03612	5.8
84.04503	35.3
85.02919	9.6
91.05447	10.1
92.05030	10.4
93.03405	8.6
95.01352	10.3
95.04984	12.7
96.04484	22.0
97.02884	14.6
98.06059	10.7
98.21515	8.3
98.97575	14.2
99.04476	6.8
100.03977	25.7
108.04488	34.6
109.02898	12.1
109.05218	7.4
110.06033	22.8
111.00825	10.9
111.04420	10.9
112.03999	10.2
113.02380	28.8
114.05508	8.3
115.03933	9.6
116.98644	14.6
121.02878	11.3
123.00756	10.0
123.04392	8.8
124.03920	15.5
125.02389	11.4
125.04747	6.8
126.05548	29.1
127.03928	15.5
128.03401	11.0
131.04895	7.8
136.03928	58.6
136.61563	6.0
137.02356	14.0
138.01779	6.8
138.05470	34.0
139.00232	14.8
139.03906	15.5
140.03436	14.2
140.07056	17.8
141.01830	20.5
142.02608	8.7
142.04985	22.9
152.03349	6.4
153.01823	24.7
154.04994	76.9
155.03372	6.3
156.02905	10.4
158.05965	7.9
164.03447	54.7
165.01836	10.7
166.05000	30.8
168.02914	7.1
168.06630	30.4
169.01323	100.0
170.04456	19.6
171.02937	8.1
177.00679	7.9
180.06506	7.2
182.04512	77.6
183.02902	14.5
184.06064	19.2
187.02408	10.2
189.09352	6.4
192.01337	5.9
192.02925	25.9
193.01361	11.1
196.06050	43.1
197.04472	12.1
198.07578	7.4
201.03935	21.2
205.05045	5.8
206.04543	8.9
210.03979	59.2
224.05591	53.3
225.03952	7.3
228.04906	8.1
242.06635	29.1
251.06586	6.2
259.94406	5.8
260.07669	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90221	0.5
55.96238	0.5
56.96565	24.5
56.96847	1.3
69.95337	1.6
69.95738	1.5
71.95267	4.7
87.79457	0.6
98.97584	100.0
101.59004	0.6
105.76886	0.6
108.36105	0.5
116.98622	89.5
119.01942	0.8
127.99605	0.5
130.93285	3.4
134.99658	45.8
137.02948	0.6
140.00185	1.4
148.94341	1.3
153.00711	6.6
158.01280	1.5
158.62941	0.5
172.94391	4.1
177.00911	1.0
180.12300	0.6
190.95418	6.2
208.96463	4.9
210.56459	0.7
214.95486	0.7
232.96471	7.1
234.99823	1.5
250.97527	5.2
251.49298	0.8
256.96408	6.9
256.98843	0.6
274.97516	57.4
275.97778	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.0
55.01860	2.3
57.03440	6.4
69.03441	0.9
69.15247	0.9
71.18653	2.0
73.09137	0.9
75.04477	2.5
79.05473	4.7
81.07046	1.5
91.05472	1.7
93.07001	1.5
94.04176	2.4
95.04949	1.8
97.06505	1.2
100.81255	0.8
103.05449	4.3
105.07033	36.3
106.07370	0.8
107.04957	3.6
109.06536	1.8
111.41196	0.9
115.05429	1.2
119.08628	0.9
121.06496	1.3
122.03651	4.2
123.55085	0.8
133.06491	47.6
134.06824	1.1
135.04428	1.4
136.29240	0.8
137.05972	100.0
138.06331	1.6
139.11171	0.8
145.06479	1.0
147.08052	1.0
151.07603	1.6
153.01839	1.3
163.07545	3.6
165.09097	19.0
175.07587	3.1
177.09100	1.3
181.08577	1.6
183.10202	2.7
185.59691	0.9
203.10594	1.3
221.11681	1.6
234.99060	2.5
277.99103	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50560	0.7
54.78132	0.7
55.01859	2.8
55.05521	1.0
57.03436	5.3
58.89367	0.7
59.01767	0.8
60.23886	0.8
67.05495	1.1
69.03429	1.0
69.50487	6.5
70.98180	0.7
71.04966	1.0
75.04465	2.4
79.05489	5.2
81.07064	1.2
85.02886	1.2
91.05466	3.0
93.07022	1.5
94.04185	1.6
95.04959	2.0
95.08610	1.0
95.18040	0.8
103.05460	3.0
105.07030	37.2
107.04921	3.2
109.06509	1.1
113.10225	0.7
115.05437	1.8
121.06459	0.9
122.03643	5.8
124.05231	1.0
131.08481	0.9
133.06491	48.6
137.05977	100.0
138.06343	1.5
141.07019	1.2
143.08478	1.0
151.07527	1.0
153.01799	1.7
163.07454	3.9
165.07019	1.3
165.09108	23.3
175.07539	3.6
175.11177	1.1
177.09100	1.2
181.08586	1.6
183.10184	5.0
183.11563	0.9
187.29222	0.9
203.10646	1.6
209.11726	1.7
221.11659	2.1
222.49918	0.7
234.98933	2.3
257.08157	1.3
257.12048	1.0
257.15430	1.2
257.26624	0.9
258.00616	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
53.03927	1.5
55.05499	5.2
57.07080	2.4
63.62307	1.5
67.05503	9.1
69.07058	5.8
70.19289	6.9
70.19637	2.2
71.04974	5.4
72.08151	2.9
79.05493	9.2
81.07059	7.3
83.04971	3.7
83.08609	3.8
85.06539	6.0
90.09193	2.9
91.05456	9.0
93.07040	13.3
95.04960	5.2
95.08595	13.4
97.06519	2.2
98.97555	2.2
105.07030	24.6
107.08596	18.5
109.06527	8.4
109.10164	10.5
111.08085	2.8
116.98620	2.0
117.07017	7.4
119.08576	21.3
121.06503	2.2
121.10145	61.2
123.08085	5.9
123.11716	3.3
128.06203	5.0
128.70882	1.3
129.06987	6.5
131.08574	15.3
133.10133	13.0
135.08020	12.0
135.11641	3.1
137.09625	7.0
141.06999	1.7
142.07784	11.3
143.08563	18.9
144.09291	3.1
145.10117	22.3
147.11707	5.0
149.09610	3.5
151.11124	1.5
155.08557	6.9
156.09319	4.9
157.10141	28.8
158.10860	5.5
159.08000	2.0
159.11703	31.8
161.09654	3.6
163.11235	3.2
168.09335	3.7
169.07843	1.7
169.10158	12.7
170.10951	1.7
171.11684	14.1
173.09598	2.7
173.13266	35.2
174.13974	4.5
175.11183	3.5
175.14824	4.4
177.12659	2.7
181.10114	2.0
182.10953	4.1
183.11693	12.0
184.12442	5.5
185.13266	4.8
187.11176	9.8
187.14873	5.6
189.12700	3.7
195.11707	1.7
197.13220	12.0
199.12979	2.1
199.14816	40.7
201.12720	10.2
209.13132	2.4
213.16362	11.7
214.17131	5.2
215.14281	3.3
215.17972	11.3
233.15555	1.6
239.17934	17.5
257.18994	100.0
257.26660	5.4
258.19257	3.2
258.27930	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	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.01863	6.5
55.05511	28.4
57.03437	60.2
57.07056	4.5
57.84278	2.1
67.05505	77.9
69.07066	27.1
70.28798	8.5
71.01356	7.0
71.04982	9.8
79.05493	83.0
81.03421	8.1
81.07055	37.1
83.04997	20.4
83.08617	7.3
85.06554	7.2
91.05486	35.7
93.07043	90.4
95.04944	11.2
95.08588	11.0
97.06527	20.8
97.10181	19.9
98.98468	17.6
99.08063	2.4
105.07032	7.0
107.08595	46.3
109.06524	3.2
109.10153	9.2
111.08073	2.9
117.07021	7.7
119.08589	10.0
121.06535	3.7
121.09393	2.2
121.10130	12.8
125.09654	2.4
133.10133	6.0
135.08055	2.9
135.11693	100.0
137.09593	2.3
143.08490	3.3
145.10150	19.1
153.12733	4.0
163.11214	11.2
166.96373	2.0
181.12219	15.5
199.13272	2.6
202.45799	2.2
255.15768	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.3
55.01871	6.2
55.05267	2.5
55.05511	39.7
56.96570	1.8
57.03436	70.6
57.07062	5.1
65.03934	2.2
67.05503	95.7
69.07064	35.8
69.60704	14.8
70.05331	1.8
71.01350	11.2
71.04986	10.2
77.03896	1.6
77.68054	1.9
79.05490	82.5
80.05823	1.8
81.03413	10.1
81.07058	50.5
81.64996	2.0
82.20956	1.9
83.04976	27.5
83.08611	11.2
84.57011	2.1
85.06554	6.9
91.05476	37.6
93.07040	91.9
95.04976	12.9
95.08604	19.8
97.06519	26.4
97.10164	22.0
97.18947	1.8
98.59839	2.0
98.98466	49.0
99.04430	2.8
99.08089	3.2
105.07027	12.6
106.25555	1.7
107.05022	2.4
107.08588	66.4
109.06491	3.1
109.10150	10.6
111.08099	4.1
117.07026	9.1
119.08581	13.3
121.06508	3.7
121.10126	13.6
125.09617	4.5
133.10120	6.5
135.11688	100.0
145.10114	19.7
147.11801	1.8
153.12762	6.2
157.10176	2.6
163.11214	12.8
181.12254	16.0
183.88702	1.8
255.10509	1.8
255.15804	27.1
255.21027	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	256.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.7
55.05511	5.5
56.96564	12.4
57.03432	12.9
57.07057	5.1
58.99865	3.2
61.02919	8.6
69.03434	15.1
70.12185	2.6
71.04993	3.4
73.02923	11.8
74.19631	2.5
77.00925	3.1
81.03419	8.1
83.04999	3.8
84.04488	3.0
85.02904	27.1
86.06078	4.9
88.07615	4.5
93.03407	6.8
95.04955	4.3
97.02893	18.0
98.98470	6.2
100.02501	8.7
101.00867	8.5
103.15186	2.8
105.00391	2.9
110.07191	4.2
111.04432	4.7
114.05561	6.2
115.02450	36.0
115.03873	3.9
116.98609	4.7
117.03972	5.2
118.03507	5.5
119.01919	50.5
121.02892	10.7
122.01722	2.9
124.03960	71.2
125.04471	2.6
125.07111	8.7
127.02414	3.2
127.03933	4.0
129.01820	2.6
131.01901	12.0
133.03465	45.1
134.99663	3.5
135.05013	6.6
137.02954	26.4
137.43983	3.2
143.01909	8.2
145.03458	21.1
146.03601	2.5
147.01425	3.3
155.01964	3.8
155.08150	16.7
156.04976	3.1
157.03467	6.8
159.01338	3.6
161.02948	14.0
163.04529	3.9
169.03505	14.9
169.05273	6.3
171.01382	12.0
171.05005	4.5
173.02979	9.8
183.04971	3.4
185.02975	3.0
187.00870	4.7
187.04573	13.1
189.02406	16.3
189.03912	3.7
194.53935	2.5
195.05070	3.7
197.02985	8.0
203.03909	3.2
207.03458	8.1
211.04604	3.0
212.04044	15.3
215.00427	9.3
215.04039	8.7
221.02974	8.2
221.05026	4.1
230.05078	6.4
233.01456	24.4
235.05725	3.0
245.05017	3.1
251.02486	100.0
252.02632	4.1
256.03036	64.9
256.26389	20.9
257.05191	14.3
257.07684	3.3
274.04071	45.2
274.07025	4.6
275.06183	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	254.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	3.5
60.08162	91.7
63.65012	1.0
65.03935	8.5
69.03417	2.9
70.06595	1.3
70.86051	3.3
79.05489	2.1
81.03394	1.7
83.04974	1.1
85.02888	3.6
91.05473	10.3
93.03399	10.4
93.07048	1.2
95.04980	1.7
97.02908	1.3
98.97592	1.8
98.98462	23.8
103.05482	2.1
110.03667	3.1
111.04436	35.3
111.30055	1.1
116.98637	1.8
119.04958	7.0
121.06544	3.5
125.05991	44.9
127.03953	1.3
134.03688	1.9
134.61754	1.2
134.99637	2.6
135.04462	1.3
137.06015	1.7
149.05974	93.2
151.07544	1.9
153.01906	2.8
153.05460	100.0
163.03880	1.2
177.05423	6.0
195.06519	73.0
208.09724	1.6
242.35825	1.2
254.10526	2.1
254.13831	29.9
265.89871	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1378
Annotation	1,2-Dimethyl-6-hydroxy-7-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
53.03915	1.5
55.01862	1.9
55.05505	5.4
57.03422	3.0
57.07069	4.0
63.94493	1.2
67.05494	4.8
69.03419	12.7
69.07059	7.0
69.87312	6.9
71.04996	10.9
71.08611	2.2
79.05481	3.9
81.03364	1.5
81.07058	6.2
83.04980	5.4
83.08585	2.1
85.02880	2.0
85.06527	1.8
87.40983	0.9
91.05484	5.8
91.05945	1.0
91.34363	0.9
93.07064	6.2
93.07547	1.3
95.04949	2.3
95.08592	5.6
97.06513	3.0
98.21484	2.2
98.98469	20.7
99.04451	5.7
100.98891	1.1
105.07039	7.8
107.08571	4.1
109.06526	2.6
109.10146	4.3
111.04430	2.7
115.05438	2.1
116.99497	2.2
117.07008	3.8
119.08566	4.8
121.06495	2.1
121.10131	2.5
123.11742	1.3
125.05995	1.3
125.09631	1.5
128.06226	4.7
129.05511	6.0
129.07001	4.9
131.08562	5.0
133.10141	1.8
135.08054	1.5
135.11723	2.2
137.05960	1.4
139.05362	1.3
139.07541	1.1
141.06992	2.1
142.07773	11.1
143.08565	15.8
145.06459	2.0
145.10107	6.5
146.20152	1.0
147.08083	1.8
147.11729	1.4
147.64232	1.1
149.13222	2.5
151.03058	1.0
152.06183	2.1
153.06972	2.1
154.07771	2.7
155.08554	7.9
156.09344	5.3
157.10117	31.2
159.08037	2.0
165.06982	9.6
166.07767	5.8
167.08565	12.3
168.09229	1.0
169.10107	20.8
170.10896	1.2
171.08051	3.6
171.11694	5.4
177.16345	1.7
178.07803	1.6
179.07043	2.3
179.08546	38.2
180.09312	7.0
181.06557	1.4
181.10115	10.7
183.08090	3.5
183.11691	2.2
184.08936	1.6
185.09615	9.0
185.13211	3.2
189.07039	1.9
193.10086	5.9
194.10907	32.0
195.08064	7.3
195.11623	5.0
196.08798	1.7
197.05917	1.3
197.09584	7.2
197.13277	1.6
198.10263	1.5
199.11162	3.9
199.14777	2.8
203.08437	1.8
204.09373	5.7
207.08035	4.7
207.11671	2.0
208.08813	5.7
209.09721	10.0
209.13255	41.5
210.13527	1.9
211.07478	3.0
211.11124	3.3
212.08281	2.1
212.11906	4.2
213.09171	5.9
213.12740	5.7
213.16019	1.3
219.11673	7.1
221.09634	2.5
222.10394	33.9
223.07507	1.6
223.10768	1.5
225.09097	7.1
226.09935	5.2
227.10854	9.3
227.14284	51.7
228.14618	2.0
237.12733	56.9
237.18539	1.5
238.12958	2.5
239.10677	3.6
240.11423	7.3
255.06506	4.6
255.13792	100.0
255.17291	7.8
255.21083	5.1
256.14233	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	253.1433
Annotation	a ubiquinol
Peak:m/z	Relative Intensity
55.01884	6.9
55.05511	3.3
55.48272	1.3
57.03437	1.6
57.07061	1.3
67.05173	2.2
67.05505	25.7
69.07072	4.7
71.04980	1.8
79.05483	8.6
80.88263	1.1
81.03432	2.2
81.07056	21.0
83.04987	4.6
83.08619	1.9
85.06530	2.7
91.05491	15.4
93.07014	6.7
95.04964	3.9
95.08608	3.5
96.74489	1.3
97.06525	1.4
98.98465	100.0
100.98885	1.3
105.07030	14.8
107.08590	11.5
108.36832	1.5
109.06519	2.7
109.10156	24.6
110.21282	1.2
111.08190	1.5
116.99502	5.3
117.06998	1.9
119.08582	2.0
123.11724	4.3
133.10130	27.9
140.01077	1.8
151.11159	12.4
161.09688	1.7
165.99219	1.2
169.12210	1.4
176.99037	1.7
197.11679	1.5
253.14320	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2161
Annotation	(E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid
Peak:m/z	Relative Intensity
53.03931	3.1
55.01860	4.4
55.05509	46.4
57.03435	3.2
57.07075	12.2
65.03938	1.4
67.05502	52.1
69.03431	2.3
69.07065	55.7
69.44363	12.0
70.31419	1.5
70.42420	1.3
71.04990	9.6
71.08636	3.1
79.05489	25.6
81.03420	2.3
81.07055	66.5
83.04973	4.6
83.08616	41.0
85.06549	9.4
91.05475	22.0
93.07041	31.7
94.07409	1.6
95.04947	6.0
95.08603	55.6
96.61599	1.6
97.02859	1.9
97.06541	10.1
97.10163	24.6
98.98464	100.0
99.08069	6.5
105.07022	17.2
107.08590	20.9
109.06509	3.7
109.10147	26.8
111.08067	7.6
111.11675	7.2
113.09667	2.5
115.05440	2.4
116.99524	2.6
117.07014	2.7
119.08566	15.0
121.06516	2.2
121.10143	29.0
123.08069	3.5
123.11692	10.8
125.09611	4.8
128.06235	3.3
129.06998	2.7
131.08571	2.3
133.06502	2.4
133.10127	20.2
135.08017	1.9
135.11700	24.7
137.09578	3.0
137.13217	5.0
139.11180	5.7
141.09138	2.3
143.08566	3.0
145.06522	2.4
147.08037	4.6
147.11714	12.6
149.13243	5.2
151.11183	5.0
151.14795	3.4
153.06963	2.6
153.12688	3.6
157.10155	1.7
161.09622	4.8
161.13290	10.5
163.07594	1.7
165.06984	4.0
165.12744	3.4
169.10141	2.3
171.08000	2.2
174.99307	2.0
175.07516	2.1
175.14848	4.6
179.08568	2.4
179.14268	3.8
189.09096	5.7
189.16353	2.0
191.17978	1.8
193.08572	1.7
193.19495	4.7
197.11661	2.0
207.10118	2.6
210.06683	2.1
217.08612	6.6
217.19547	17.5
221.05907	2.2
223.20291	1.6
225.08978	1.8
235.09598	2.2
235.20525	12.4
253.08551	5.8
253.12262	2.6
253.15916	2.5
253.19283	2.3
253.21634	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	253.1432
Annotation	a ubiquinol
Peak:m/z	Relative Intensity
53.03931	3.3
54.10056	1.0
55.01869	14.8
55.05513	9.8
57.03437	5.6
57.07062	2.7
65.03931	2.1
67.05502	54.2
69.03404	4.1
69.07063	11.6
69.33583	2.2
69.33986	9.2
71.04971	3.9
71.71931	1.1
75.46870	0.9
76.62587	1.1
79.05486	26.0
81.03416	6.2
81.07052	51.4
83.04975	9.3
83.08603	2.7
85.06544	6.8
91.05476	45.4
93.07037	15.3
95.04966	9.3
95.08610	7.4
97.06508	4.7
98.98460	76.5
99.04450	2.6
105.07027	38.7
107.04941	2.5
107.08585	28.4
109.06506	4.9
109.10150	54.0
111.04473	1.1
113.05984	2.7
116.99480	3.8
117.06997	1.8
119.08543	3.4
121.10143	1.1
123.08084	1.6
123.11712	8.7
127.07523	3.0
128.06203	1.3
131.08585	2.8
133.10123	66.7
137.09714	1.4
143.08507	1.7
148.34059	1.2
151.11179	35.4
156.30408	1.1
161.09642	2.7
169.12236	4.9
174.99265	1.3
179.10696	1.7
215.12691	1.4
229.38751	1.3
253.14331	100.0
254.14659	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1432
Annotation	a ubiquinol
Peak:m/z	Relative Intensity
53.03928	4.6
55.01866	12.6
55.05513	12.0
57.03418	4.4
57.07067	4.0
58.92711	1.2
65.03939	1.5
67.05505	54.2
69.03414	5.8
69.07063	13.1
70.23016	2.3
70.23435	4.7
71.04996	7.8
71.08610	1.9
74.11016	1.6
79.05490	24.2
81.03408	7.1
81.06586	3.0
81.07054	55.0
81.77623	1.3
83.04998	10.1
83.08602	4.3
85.06532	6.1
87.04433	1.7
88.76138	1.4
90.78252	1.3
91.05478	45.1
93.07054	17.3
95.04979	8.7
95.08601	8.2
97.06541	3.6
98.45612	1.4
98.98466	93.9
99.04427	2.9
100.98866	1.9
105.07024	34.4
107.04936	2.0
107.08586	27.5
109.06494	6.6
109.10154	54.4
113.06007	3.4
116.99485	4.3
117.07077	2.0
119.08575	3.2
119.27388	1.3
123.11707	9.4
127.07522	3.9
128.06187	1.8
131.08591	2.4
133.06470	2.0
133.10124	74.9
133.25668	1.4
134.17355	1.5
140.01031	3.1
151.11185	37.5
161.09633	2.5
169.12204	5.0
179.10570	1.6
197.11626	2.1
253.14331	100.0
254.14708	2.9
273.97360	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1433
Annotation	a ubiquinol
Peak:m/z	Relative Intensity
53.03935	2.3
55.01875	8.7
55.05314	0.7
55.05512	7.4
56.96556	1.1
57.03422	4.1
57.07058	2.8
58.34333	0.8
65.03942	1.3
67.05505	38.2
69.03428	4.7
69.07065	10.8
71.05003	5.5
71.08643	1.0
73.06576	1.2
79.05065	1.2
79.05493	17.2
80.97403	1.4
81.03421	5.9
81.06590	1.9
81.07059	36.2
83.04974	6.3
83.08602	4.1
85.06551	4.9
91.05481	30.0
93.06563	1.0
93.07053	12.3
95.04963	6.8
95.08610	8.9
97.02865	1.2
97.06523	2.8
97.10143	1.3
98.98465	100.0
99.08095	1.0
100.98898	1.5
101.35686	0.9
105.04871	0.8
105.07030	25.6
107.04960	2.2
107.08598	18.6
109.06529	4.4
109.10157	39.2
111.08024	1.0
113.06006	2.4
115.07549	1.8
116.32468	0.9
116.99497	5.0
117.07034	1.8
118.89319	0.8
119.08580	3.1
121.10126	1.5
123.08041	2.0
123.11715	6.7
125.09612	1.3
127.07558	1.5
128.06232	1.0
131.08537	1.3
133.10129	48.0
133.53284	0.9
135.11699	1.5
137.09610	1.0
141.05499	0.9
143.08574	0.9
151.11188	23.1
161.09593	2.0
165.06958	1.8
169.12239	2.2
174.99228	1.1
176.98964	1.6
193.06493	2.1
197.11693	2.2
197.13319	1.5
215.12659	1.2
221.05974	1.7
253.08810	5.5
253.14348	69.8
254.14845	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12629	0.5
57.07067	0.4
68.10353	0.5
69.03434	0.5
70.02927	0.6
71.04990	0.6
71.56806	0.8
72.92682	0.4
79.05495	0.9
87.00833	2.5
91.05466	1.6
93.07038	2.7
94.06583	0.7
95.08633	0.8
98.98467	31.5
103.05466	9.0
105.07014	1.3
106.06549	1.7
107.04972	1.2
116.99496	1.6
118.06540	11.1
120.08107	100.0
121.08445	1.2
128.04942	1.0
131.04964	0.7
133.06532	0.8
146.06004	18.8
161.05997	1.0
164.07123	0.8
166.08667	1.6
188.07080	17.3
192.06483	1.2
193.08615	0.6
203.31317	0.5
206.08130	50.7
207.08403	1.0
234.07758	0.6
240.06067	0.6
240.96992	0.5
252.12318	1.8
252.16122	0.9
252.19646	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.5
55.05507	0.6
56.96560	1.9
57.07063	1.6
59.46392	0.4
67.05510	0.8
69.03418	1.4
69.07076	1.0
69.52947	3.4
71.05001	0.5
71.08590	0.7
73.06551	1.6
79.05508	0.7
81.03447	0.7
81.07037	2.0
84.96033	0.4
85.02902	3.1
91.05512	0.9
93.07019	0.5
95.04977	0.6
95.08601	1.2
97.02902	1.4
98.98471	100.0
99.04456	0.6
100.98896	1.2
109.02914	0.9
109.06536	0.4
110.07151	0.7
116.98664	1.1
116.99513	5.2
120.08098	5.4
123.04463	0.7
125.02355	0.4
134.99643	1.1
135.20952	0.5
140.01076	1.4
141.05489	1.2
143.03441	0.6
145.05016	0.5
147.04355	0.4
153.00708	0.7
153.01834	5.0
154.02156	0.7
155.04605	0.5
161.01140	0.5
174.99226	1.2
176.98940	1.3
179.10683	0.6
191.02426	0.4
197.11760	1.6
209.03355	0.6
253.08476	1.3
253.12410	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.112
Annotation	3,4-dihydroxy-5-prenylcinnamic acid
Peak:m/z	Relative Intensity
53.03941	1.2
55.05504	1.4
67.05475	3.8
69.03415	3.6
69.07059	1.8
71.12563	2.6
78.69107	1.3
79.05482	2.9
81.07037	2.0
91.05473	11.5
93.07035	2.7
95.04982	1.9
95.08614	1.5
97.06506	1.3
103.05442	2.7
105.07030	7.3
107.04935	3.9
111.57782	1.2
115.05441	7.8
116.06217	4.8
117.07001	4.2
119.04962	2.8
119.08556	3.9
121.06538	2.1
123.04418	1.8
127.32189	1.1
128.06229	10.2
129.06995	26.3
130.07813	1.4
131.04901	4.8
131.08554	18.7
132.05699	2.7
133.02844	2.9
133.06474	2.6
133.10118	3.3
135.04420	3.3
135.11676	1.3
137.18036	1.2
141.06960	11.8
142.07823	6.1
143.04892	1.2
143.08525	4.5
144.05693	9.9
145.06465	7.9
146.07214	2.9
147.04410	7.7
147.08020	1.9
147.11670	1.7
151.03915	3.3
152.06145	2.0
153.01823	1.7
153.06992	2.2
156.05664	2.5
157.06487	10.9
158.07225	2.8
159.04300	1.4
159.08052	33.4
160.05167	2.2
161.05965	4.9
161.09613	9.1
165.05373	1.2
168.31009	1.1
169.06383	1.8
169.07690	2.6
170.07256	11.2
171.04494	1.2
171.08058	7.5
172.05157	4.2
173.05989	6.2
174.06802	2.8
175.03905	4.4
175.07510	4.0
177.05406	2.2
178.06201	1.8
179.03366	7.0
180.83882	1.1
185.05910	1.5
187.07500	20.4
187.11139	1.8
188.11536	1.2
189.05440	4.6
189.09117	11.6
190.06116	2.0
191.06982	2.4
192.07678	1.4
193.04945	2.0
198.06839	1.8
199.07524	3.3
201.05472	1.6
203.03455	3.5
203.07030	9.0
204.07831	16.0
205.08548	2.1
206.09352	1.2
207.02893	9.3
216.07819	3.4
218.09360	2.6
219.10153	1.8
221.04375	3.6
221.08076	1.4
221.11681	5.5
231.10178	7.7
249.03999	19.9
249.11208	100.0
250.11575	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	3,4-dihydroxy-5-prenylcinnamic acid
Peak:m/z	Relative Intensity
53.03944	1.0
55.01864	2.1
55.05493	2.4
61.48545	0.9
67.05510	5.0
69.03416	2.1
69.07057	3.0
71.04990	1.2
71.58257	1.2
71.58623	1.0
79.05482	4.7
81.03466	1.5
81.07058	7.1
82.60137	0.9
83.04955	1.5
83.08601	1.2
85.06529	1.7
91.05479	17.1
93.07065	6.1
95.04955	3.1
95.08582	5.8
97.02874	2.2
97.06518	4.0
98.97639	1.1
103.05476	4.5
105.07024	9.3
107.04954	4.3
107.08569	4.3
109.06522	2.8
109.10164	2.7
115.05445	8.2
116.06254	7.3
116.98548	1.4
117.07037	5.6
118.07764	0.9
119.04931	4.5
119.08571	3.7
121.06508	2.3
121.10139	3.9
123.04407	2.2
123.08053	3.5
123.11662	1.4
128.06230	14.6
129.07010	27.4
131.04932	7.7
131.08562	28.7
132.05719	1.5
133.02800	2.3
133.06474	4.8
133.10129	5.8
135.04395	4.0
135.08055	1.5
135.11685	1.3
137.05997	2.0
137.09583	1.4
141.06970	13.8
142.07800	6.3
143.04932	1.4
143.08592	5.2
144.05693	12.9
145.06479	8.7
145.10191	2.0
146.07303	4.6
146.85489	1.0
147.04414	11.4
147.08026	3.2
147.11668	3.3
149.09599	1.9
151.03914	2.9
152.06219	1.3
153.01825	2.6
153.06964	2.6
156.05739	3.0
157.06483	12.2
157.10124	1.2
158.07193	3.3
159.04414	4.0
159.08052	36.0
159.11665	1.4
160.05200	2.4
160.08662	1.2
161.06021	5.5
161.09601	10.6
161.13231	2.1
163.11160	1.3
165.05452	2.2
167.06972	1.3
169.06389	2.1
169.07637	2.5
170.07248	9.4
171.04417	1.2
171.08026	10.3
172.05208	4.4
173.05972	5.6
173.09515	1.3
173.86081	1.1
174.06754	3.0
175.03938	4.7
175.07506	5.9
175.14679	1.5
177.05452	1.9
177.09201	1.2
178.06276	1.0
179.03380	6.4
181.01337	3.2
185.05933	1.4
186.06705	1.8
187.07547	22.0
188.08322	1.4
189.05460	5.1
189.09119	13.2
189.12863	1.4
190.06242	1.7
191.07053	2.6
193.05008	2.8
193.08588	1.3
198.06747	2.6
199.07497	2.5
201.05426	1.9
203.03424	6.5
203.07018	8.2
204.07805	16.2
205.04988	1.6
205.08556	2.7
206.09322	1.4
207.02905	10.7
216.07799	4.7
217.08559	1.8
218.09163	1.2
219.10110	2.3
221.04440	3.7
221.08092	1.5
221.11575	4.9
231.10143	8.6
231.13728	2.5
231.17383	2.0
234.08788	1.8
249.03967	23.4
249.11220	100.0
249.15244	2.8
249.18309	4.8
250.11517	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1121
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01872	1.5
67.05500	1.7
67.28411	0.9
69.03416	1.7
69.43166	7.2
71.37508	0.7
79.01835	1.0
79.05488	1.1
81.03407	2.2
81.07057	1.2
83.04917	0.9
91.04976	1.0
91.05481	12.2
95.04951	1.4
97.02841	1.0
98.21426	2.0
103.05430	1.8
105.07027	5.2
107.04950	3.6
109.02879	2.1
109.06522	0.9
114.95535	0.6
115.05447	8.4
116.06236	4.3
117.07006	2.7
119.08571	2.2
120.62914	0.7
121.06491	1.2
123.04317	0.8
127.05421	1.0
128.06223	12.5
129.06999	25.2
130.07767	2.1
131.04898	2.4
131.08569	21.9
132.05704	1.8
133.06487	4.0
133.10118	2.2
135.04376	2.4
137.09567	0.9
141.06973	11.8
142.07767	4.4
143.04935	1.6
143.08531	3.9
144.05704	10.8
145.06471	7.4
146.07191	2.4
147.04399	3.5
152.06171	1.5
153.01831	1.5
153.06985	2.8
155.06013	1.2
156.05676	2.7
157.06476	14.0
158.07246	3.2
159.08057	31.7
159.09383	1.6
160.05183	2.2
161.05957	4.9
161.09605	8.7
169.06451	2.1
169.07657	3.4
170.07251	9.0
171.04347	1.1
171.08064	7.0
172.05214	4.5
173.06009	5.0
174.06726	3.1
175.03914	1.7
175.07500	4.7
175.11212	0.9
177.05556	1.2
179.03418	0.8
185.06039	1.3
186.06621	0.9
187.07552	19.9
188.08319	1.4
189.05475	5.4
189.09105	10.2
190.06190	1.6
191.07043	2.1
192.07727	0.8
198.06709	2.0
199.07562	5.3
201.05528	2.8
201.52193	0.8
203.03406	1.3
203.07011	6.4
203.10738	1.4
204.06081	1.5
204.07822	16.2
205.08592	2.8
206.09375	1.6
207.02904	2.6
216.07843	4.2
217.08578	1.4
219.10147	2.5
220.54379	0.8
221.04448	1.0
221.08130	1.4
221.11731	3.0
231.10103	8.8
231.13640	0.9
249.03946	3.6
249.11217	100.0
250.11623	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.1
56.96552	2.4
58.99871	1.0
62.94983	0.7
67.05534	0.6
69.75168	4.1
69.75579	1.2
70.99811	1.0
72.59311	0.7
77.00914	1.1
82.99850	1.5
89.00900	0.9
98.20758	0.7
98.97609	2.4
101.00876	21.2
103.02406	1.0
113.00857	1.2
115.02492	1.1
116.98598	1.9
119.01922	100.0
120.02047	2.0
121.03481	0.8
124.02482	1.0
127.02424	0.8
131.01898	9.3
133.03510	1.5
137.02959	30.6
137.47433	0.7
138.02989	0.7
142.03488	2.0
143.00189	1.6
143.01897	10.3
145.03456	11.8
147.01447	0.8
149.02975	2.1
157.03468	2.4
159.01405	6.3
161.02963	46.4
162.03082	1.1
163.04514	2.5
171.01370	2.4
173.03000	2.4
175.04599	0.8
177.00899	1.3
177.02437	19.6
179.03996	2.1
184.04532	1.4
189.02452	26.5
190.02727	0.9
191.04037	4.6
195.03450	0.9
195.50757	0.6
201.02559	3.5
203.04086	0.9
204.29111	0.7
207.01581	0.5
207.03511	14.1
219.03558	6.7
224.48894	0.7
231.03462	1.8
237.98566	0.6
249.04564	8.4
267.05576	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.1
56.96552	2.4
58.99871	1.0
62.94983	0.7
67.05534	0.6
69.75168	4.1
69.75579	1.2
70.99811	1.0
72.59311	0.7
77.00914	1.1
82.99850	1.5
89.00900	0.9
98.20758	0.7
98.97609	2.4
101.00876	21.2
103.02406	1.0
113.00857	1.2
115.02492	1.1
116.98598	1.9
119.01922	100.0
120.02047	2.0
121.03481	0.8
124.02482	1.0
127.02424	0.8
131.01898	9.3
133.03510	1.5
137.02959	30.6
137.47433	0.7
138.02989	0.7
142.03488	2.0
143.00189	1.6
143.01897	10.3
145.03456	11.8
147.01447	0.8
149.02975	2.1
157.03468	2.4
159.01405	6.3
161.02963	46.4
162.03082	1.1
163.04514	2.5
171.01370	2.4
173.03000	2.4
175.04599	0.8
177.00899	1.3
177.02437	19.6
179.03996	2.1
184.04532	1.4
189.02452	26.5
190.02727	0.9
191.04037	4.6
195.03450	0.9
195.50757	0.6
201.02559	3.5
203.04086	0.9
204.29111	0.7
207.01581	0.5
207.03511	14.1
219.03558	6.7
224.48894	0.7
231.03462	1.8
237.98566	0.6
249.04564	8.4
267.05576	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.112
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
61.03719	1.0
67.05499	1.4
69.15764	0.9
69.77431	1.2
69.98083	1.3
70.12347	1.0
70.15778	4.9
70.16124	1.2
84.30624	1.0
91.05464	8.4
97.02884	1.2
103.05449	2.2
105.07026	5.1
107.04942	2.0
115.05437	5.3
116.06237	6.3
117.07014	4.0
118.07755	1.4
119.04926	1.1
128.06221	11.3
129.07001	26.0
131.04901	2.9
131.08545	20.8
132.05721	1.6
133.06461	2.9
133.10114	2.6
139.05435	1.2
141.06960	11.6
142.07762	4.8
143.08551	3.8
144.05690	14.7
145.06459	8.5
146.07278	6.0
147.04420	1.9
152.06259	1.2
153.06981	2.8
155.06032	2.0
156.05666	2.3
157.06462	10.8
158.07260	2.6
158.57640	1.2
159.08049	34.0
160.05214	1.2
161.05969	6.1
161.09587	9.1
169.06346	1.7
169.07602	3.7
170.07260	10.5
171.08044	7.3
172.05193	3.1
173.05998	5.8
174.06744	2.9
175.07513	3.0
184.05217	1.2
185.05956	1.4
187.07533	22.2
189.05453	3.9
189.09085	10.0
191.07063	1.5
198.06689	2.7
199.07555	3.1
201.05492	1.7
203.07021	6.3
204.07805	16.7
205.06604	1.3
205.08533	3.2
206.09506	1.4
216.07794	5.2
217.08586	1.6
219.10083	2.3
221.11702	2.3
231.10124	6.3
249.11203	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96668	1.9
53.03933	5.5
55.01857	5.6
55.05495	3.3
56.96548	2.1
57.03413	2.7
57.07061	2.2
61.80142	1.5
65.03942	3.7
67.05489	6.5
69.03411	6.1
69.07076	2.5
70.73706	3.6
70.74097	2.6
71.04973	2.3
79.05475	6.1
81.03447	2.2
81.07087	8.6
83.04989	2.1
83.08628	2.2
91.05480	46.6
93.07050	8.4
95.05002	9.4
95.05495	1.5
95.08605	8.1
97.02895	13.1
97.06521	1.6
103.05470	27.7
105.03343	3.4
105.07020	7.6
107.04939	4.3
107.08606	5.0
109.02894	1.9
109.06518	3.2
109.10169	3.2
115.05433	3.5
116.06221	1.8
117.07059	1.7
119.04943	62.8
119.08559	6.7
121.06481	4.3
121.10140	5.7
123.04426	4.9
124.14679	1.6
125.02309	2.3
128.06215	2.9
129.06987	7.3
131.04929	80.0
131.08594	8.2
133.02843	6.8
133.10129	5.7
135.04401	4.8
135.11674	3.4
137.06010	3.7
137.09592	3.4
139.03889	5.0
141.06973	3.7
143.08517	2.2
144.05696	4.0
145.06487	2.4
145.10193	2.9
147.04411	100.0
147.11702	4.2
149.05963	5.3
151.03900	10.4
153.01854	11.9
157.06526	4.3
157.10106	2.2
159.04420	88.2
159.08003	9.9
159.11664	3.1
161.09636	4.1
161.13339	2.4
163.03917	9.0
165.01961	2.0
165.05489	33.1
173.06084	2.2
175.03908	55.8
175.07492	1.7
177.05476	33.1
179.03386	24.6
181.01299	14.1
187.03891	5.3
187.07578	5.5
189.09126	5.7
192.04088	2.4
193.04961	91.8
195.02937	2.3
203.03406	29.9
203.06963	3.4
204.07835	4.0
205.04959	77.1
207.02840	17.3
221.04453	45.6
231.02908	19.7
231.10124	4.6
231.13860	3.2
249.03969	91.6
249.11185	30.1
249.14813	4.2
249.18677	3.9
249.22212	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0916
Annotation	N-(4-Coumaroyl)-L-homoserine lactone
Peak:m/z	Relative Intensity
53.00292	1.5
53.03749	1.0
53.03950	9.3
55.01860	4.6
56.96562	0.9
65.03949	5.8
66.35737	1.0
67.05502	44.0
69.03410	3.3
69.07050	3.6
70.02940	1.3
71.56544	1.4
72.96239	1.0
73.05431	1.0
77.27498	0.9
79.05495	3.7
80.05000	1.6
81.03416	60.4
81.05766	1.3
81.07058	4.7
83.01328	4.1
84.04556	1.1
85.59493	1.0
87.74152	1.0
91.05452	2.1
94.06542	2.1
95.04372	1.7
95.04964	31.3
96.04482	2.6
96.08121	4.0
97.02898	1.5
98.06042	1.6
105.07056	1.8
106.06518	1.8
107.07383	1.3
108.04448	1.1
108.08126	1.5
109.02878	95.3
110.03685	2.0
112.07595	8.3
113.05988	2.6
119.08593	1.3
120.08054	1.7
122.06052	1.1
124.03989	2.6
124.07584	20.0
126.05476	2.8
134.06006	1.9
136.07584	18.9
140.07071	17.9
142.92075	1.0
147.04395	1.3
150.09103	2.5
152.03429	2.9
152.07031	5.1
164.07051	7.5
170.08134	8.6
174.09235	2.1
175.03549	1.1
176.07007	1.1
178.08618	4.1
192.06525	5.4
192.10188	3.4
202.08559	5.0
206.08202	2.3
207.02914	1.3
216.07672	1.8
218.07974	1.3
220.09702	8.6
230.08160	1.4
248.09177	100.0
249.03891	2.9
249.09392	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	249.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54429	9.7
57.00536	10.9
57.08334	9.8
71.56993	12.0
71.57345	12.4
94.93012	43.8
98.97552	20.0
101.00890	15.5
119.01921	78.2
137.02969	22.5
145.03535	12.4
158.99873	11.7
159.01334	12.7
161.02983	26.9
177.00734	14.7
177.02371	16.8
189.02441	13.7
249.03690	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.1
51.53718	0.8
53.03940	4.2
55.01863	2.4
57.64721	0.8
60.74340	0.8
65.03926	3.0
67.05501	1.4
68.99772	1.2
69.03419	4.0
69.41723	8.3
77.03918	1.4
79.05467	3.7
81.07040	1.8
83.04954	1.3
87.95258	0.8
91.05480	43.2
92.05230	0.8
93.07048	4.5
95.01323	1.1
95.04977	7.4
95.08624	1.7
97.02897	13.1
103.04793	1.4
103.05462	22.7
105.03376	4.5
105.07012	1.8
106.10498	0.9
107.04954	1.6
107.08595	1.7
109.01567	0.9
109.06499	1.4
115.05467	1.3
119.04938	60.9
119.08562	1.3
121.02837	1.3
121.06484	2.5
121.10147	1.4
122.67135	0.7
123.04408	2.7
123.08058	1.0
125.02335	2.3
128.06180	1.4
129.03387	2.0
129.06973	1.8
131.04926	81.3
131.08534	2.0
133.02856	6.7
135.04382	3.3
135.07970	1.1
137.05949	2.9
139.03893	2.9
143.08545	1.1
147.04405	100.0
148.04733	1.8
149.02359	0.8
149.05972	4.5
151.03889	9.0
151.07535	1.6
153.01837	13.8
157.02866	2.0
157.06569	1.4
159.04413	88.8
159.08022	3.0
160.04681	1.0
163.03923	5.7
165.05478	34.3
165.06882	2.0
175.03906	51.2
176.04362	0.9
177.01875	1.6
177.05460	30.5
179.03391	19.4
181.01314	13.8
184.05119	0.9
187.03940	5.8
187.07526	1.7
189.09094	1.6
189.12712	1.1
191.03578	1.0
192.04221	2.3
193.04955	91.7
195.02873	1.1
197.00745	1.2
203.03394	28.5
205.04958	73.2
206.07188	1.1
207.02898	11.9
207.13863	1.0
221.04428	43.0
221.09515	1.3
223.02388	2.5
231.02881	22.0
231.13831	1.2
234.06813	1.3
249.03935	83.0
249.09148	2.7
249.11024	4.7
249.14856	2.1
250.04393	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.0
55.01855	9.4
55.05514	26.8
57.03436	7.2
57.07069	13.9
57.23006	3.0
65.03936	4.5
67.05506	31.7
68.99773	3.8
69.03437	21.5
69.07074	44.2
70.02757	17.4
71.04986	14.1
79.05502	31.3
81.07052	70.0
83.04973	20.0
83.08627	15.0
85.06525	12.6
91.05486	43.3
93.03426	4.5
93.07047	63.9
95.04963	19.4
95.08610	60.5
97.02875	6.4
97.06502	7.8
97.10182	4.6
98.21449	4.2
98.98583	3.1
100.11268	6.0
103.05500	4.3
105.07037	61.2
107.04961	9.8
107.08591	58.3
109.02839	9.0
109.06522	9.2
109.10167	41.3
111.04455	4.7
111.08051	12.2
115.05461	7.7
116.06272	4.5
117.07014	23.7
119.08578	64.1
119.09368	5.6
121.02853	4.0
121.06503	16.5
121.10147	51.0
123.08126	4.9
123.11721	15.6
125.09585	5.7
128.06238	11.7
129.06998	12.3
130.07800	6.2
131.04932	4.2
131.08571	59.4
132.05701	5.6
133.06523	5.7
133.10135	42.2
135.04472	3.9
135.08086	24.8
135.08945	4.7
135.11702	28.1
137.06020	6.7
137.09595	6.7
137.13220	3.8
141.06979	9.0
142.07701	3.5
143.08546	18.3
144.05721	10.1
144.09338	11.6
145.06490	19.9
145.10132	70.1
147.08081	8.0
147.11684	41.5
149.09590	15.9
149.13298	16.6
151.11198	4.2
153.06961	3.3
155.08549	8.9
157.10115	8.5
158.07220	5.4
158.10915	13.6
159.08047	24.0
159.11685	65.4
161.09634	7.3
161.13274	21.7
163.03946	4.4
163.07518	14.1
163.11136	5.7
163.14888	10.4
165.12764	6.4
168.09306	5.1
169.10121	4.6
170.10921	4.9
171.08067	9.0
171.11674	4.7
172.08873	9.3
173.06003	6.7
173.09645	23.9
173.13283	61.6
175.07558	5.3
175.11136	4.2
175.14854	7.1
177.12807	6.9
177.16434	4.6
183.11699	10.7
185.05943	4.0
186.06868	4.6
186.10434	17.2
187.07545	18.1
187.11194	67.0
187.12888	5.9
187.14738	25.4
188.11568	4.8
189.09142	6.1
189.16353	11.7
191.07071	31.1
191.08612	5.9
191.14368	8.7
191.17947	13.6
201.09166	8.8
201.12779	32.8
201.16431	11.5
203.17981	18.3
205.15906	5.8
211.11166	5.9
217.08511	5.6
219.02887	4.4
219.08240	5.2
219.10245	5.6
219.13716	6.2
219.17464	3.8
229.12221	42.4
229.15919	9.1
229.19479	41.0
247.02385	13.1
247.07620	5.0
247.09662	22.1
247.13300	52.2
247.16887	18.7
247.20573	100.0
247.24295	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	248.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.0
56.96552	3.5
57.03423	3.0
65.65636	1.8
68.91841	1.7
69.03443	3.7
69.58383	5.5
69.58817	6.8
71.04996	1.8
81.03400	2.7
83.04959	2.2
84.04514	2.6
85.02889	7.3
97.02872	7.3
98.97600	2.9
106.98719	1.5
111.14985	1.6
119.01906	6.1
120.01974	3.0
127.03903	2.1
134.99646	2.4
138.09125	2.2
143.01923	2.0
149.97179	1.8
153.00719	1.8
161.02954	3.5
168.03363	1.8
185.02962	1.7
203.03871	1.8
230.03508	31.6
230.10272	2.5
248.04605	100.0
249.04419	4.9
264.98804	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	Isohypoglabric acid
Peak:m/z	Relative Intensity
53.03945	3.9
55.01854	5.0
55.05507	11.0
57.07061	5.4
60.06481	2.1
65.03925	4.0
67.05511	12.3
69.03429	24.6
69.07067	10.5
70.18192	6.1
71.04973	5.5
79.00276	1.8
79.05489	20.3
81.03400	3.4
81.07059	20.6
83.04977	25.3
83.08601	4.9
84.05190	1.7
85.02891	2.3
85.06527	5.3
91.05481	26.3
93.03404	3.8
93.07042	23.6
95.04974	8.5
95.08598	18.9
97.02873	7.4
97.06526	3.4
103.05450	3.1
105.07027	28.5
106.07375	1.9
107.04910	4.3
107.08604	25.3
109.02883	9.1
109.06525	14.1
109.10165	10.8
111.04424	5.7
111.08066	6.2
115.05428	6.9
116.06194	2.3
117.07021	19.9
119.04920	2.4
119.08584	26.8
121.02860	4.4
121.06487	21.2
121.10130	17.4
123.04383	3.1
123.08064	4.2
123.11726	3.7
125.09688	1.8
128.06221	4.2
129.06995	14.1
130.07741	4.7
131.08578	32.6
132.05699	3.0
133.06439	4.3
133.10129	17.8
135.08041	25.6
135.11690	8.5
137.05977	3.5
137.09576	6.1
141.06978	3.7
142.07764	3.9
143.08577	14.5
144.05714	3.1
144.09344	11.8
145.06454	19.5
145.10109	29.7
147.08028	4.9
147.11649	9.5
149.05978	5.9
149.09622	25.4
149.13255	5.5
150.10365	2.5
151.11133	4.1
153.06935	3.7
153.09067	2.4
155.08519	6.0
157.06500	4.0
157.10124	5.4
158.07249	2.5
158.10918	8.0
159.08052	15.1
159.11690	39.4
160.08815	6.8
161.09625	5.3
161.13245	7.0
163.03899	4.3
163.07552	21.3
163.11177	3.2
165.09055	3.0
168.09311	6.7
169.10153	3.9
170.10883	2.6
171.08031	5.9
171.11662	3.3
172.08844	21.1
173.05907	2.4
173.09622	33.5
173.13254	43.5
174.13612	2.7
175.07545	3.7
175.11128	3.6
177.09082	2.3
177.12686	2.1
181.06436	3.3
183.11717	10.9
185.13194	3.2
186.10390	21.1
187.07549	7.9
187.11179	100.0
187.14754	5.7
188.11649	2.3
189.09125	2.4
191.07016	47.6
191.14310	3.2
193.09999	2.2
195.07906	2.7
196.08775	6.8
199.07564	3.7
201.09192	4.7
201.12744	43.4
201.16464	3.5
202.13084	1.9
203.17850	3.6
205.08519	2.1
205.12122	4.4
205.15964	2.2
211.11118	11.6
214.09894	2.0
217.08548	2.3
219.10143	1.9
219.13896	4.2
229.12236	61.1
229.15752	2.4
229.19511	7.3
230.12520	2.4
247.02370	5.0
247.09566	7.7
247.13286	80.6
247.16977	6.2
247.20558	24.6
247.23009	2.4
247.24242	2.8
248.13647	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	3-Oxo-4,11(13)-ivaxallaradien-12-oic acid
Peak:m/z	Relative Intensity
53.03934	7.8
55.01865	7.0
55.05501	11.5
57.07062	7.8
58.26008	3.6
65.03934	5.7
67.05507	9.1
68.99750	3.6
69.03422	20.7
69.07053	3.7
70.70516	8.1
70.70882	7.8
79.05061	3.5
79.05483	14.9
81.07041	12.3
83.04967	20.6
83.08618	3.6
85.02909	5.0
91.05486	28.4
93.03381	5.7
93.07053	20.5
95.04957	10.5
95.08597	5.7
97.02875	7.3
103.05460	5.6
105.07029	24.5
107.04952	6.0
107.08591	23.7
109.02888	9.2
109.06490	14.2
109.10154	7.0
111.04404	7.6
115.05470	6.8
117.07029	18.3
117.59739	3.5
119.04993	4.7
119.08589	27.5
121.02847	4.7
121.06489	12.3
121.10136	9.9
121.56078	3.5
123.04443	3.6
123.08021	4.8
124.70721	3.6
128.06165	6.6
129.06993	16.0
131.04912	5.7
131.08585	23.4
132.05716	4.9
133.06461	5.5
133.10098	9.5
135.08063	40.1
137.05989	10.9
141.06960	4.4
142.07753	4.4
143.08539	14.0
144.05695	4.7
144.09325	8.0
144.13148	4.4
145.06471	20.8
145.10162	20.3
147.08032	7.0
147.11655	4.7
149.06010	4.6
149.09625	28.1
153.07022	5.6
155.08519	12.6
157.06523	4.4
157.10181	4.6
157.93451	3.3
158.07310	5.4
158.10907	10.8
159.08014	21.1
159.11678	25.9
160.08835	7.1
161.05956	3.5
161.09567	10.5
163.07581	20.7
163.11104	6.1
171.08035	10.6
171.11729	3.8
172.08817	19.5
173.09615	26.4
173.13263	25.6
181.06563	3.8
183.11682	10.5
185.13266	4.4
186.10416	18.3
187.07634	8.2
187.11168	100.0
187.14743	4.0
190.40453	3.9
191.03456	5.5
191.07040	44.1
191.08632	6.4
196.08725	5.2
201.09082	9.2
201.12730	47.6
211.11206	9.4
217.08649	4.3
219.08084	5.3
219.10155	5.7
219.13881	3.6
229.12221	52.1
229.15779	6.9
229.19514	4.3
247.02342	13.2
247.09714	13.5
247.13226	65.5
247.17003	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	247.0964
Annotation	Fraxinellonone
Peak:m/z	Relative Intensity
53.03934	10.0
54.06846	2.6
55.01868	42.7
55.05501	8.4
57.03419	6.3
63.37381	3.0
64.53933	2.6
65.03931	3.2
65.34087	2.2
67.05506	19.0
68.37016	2.7
69.03423	13.1
69.07060	7.3
71.01342	4.2
71.04980	3.8
71.58013	5.3
72.42215	2.5
75.49355	2.7
79.05493	30.6
81.03423	26.9
81.07048	21.0
83.04974	10.5
83.08610	4.3
85.02876	4.2
90.39796	2.6
91.04916	2.9
91.05476	45.8
93.07028	21.4
95.01340	3.9
95.04971	24.7
95.08616	18.6
97.02881	10.6
103.05464	8.0
103.53774	3.0
105.03378	4.0
105.07016	28.8
107.04973	17.1
107.08604	17.2
109.02859	9.2
109.06517	5.6
109.10137	10.0
111.04434	21.3
115.05439	12.8
116.06210	5.7
117.07017	25.2
119.04992	4.2
119.08616	13.7
121.02899	4.7
121.06496	12.3
121.10147	15.4
123.04424	10.6
123.11678	4.0
124.09274	2.7
127.03851	4.3
128.06203	10.0
129.06978	23.7
130.07835	5.7
131.04915	13.6
131.08565	24.5
133.06451	16.7
133.10141	4.3
135.04433	13.3
135.08047	8.6
135.11684	9.5
137.05968	14.0
141.06969	15.4
143.08546	9.0
144.05731	4.5
145.06485	26.3
145.10115	16.6
147.08015	14.2
149.05980	21.4
149.09590	3.5
149.13249	4.3
151.03952	3.6
151.07527	7.9
153.06992	5.7
155.08522	16.2
157.06496	10.6
158.07256	5.3
159.04414	3.8
159.08061	32.2
159.11641	7.6
161.05942	7.0
161.09576	5.2
163.03879	9.8
163.07571	20.3
163.14827	5.9
165.05556	4.6
165.06905	4.2
169.06448	7.4
171.07996	4.3
173.05922	10.2
173.09616	23.0
173.13271	3.8
175.07530	23.0
177.05479	3.4
177.09096	12.7
179.07108	3.3
183.08047	12.7
187.07562	39.1
187.11110	4.0
189.05405	3.9
189.09114	6.9
191.03351	3.1
191.06963	5.1
191.10794	4.1
191.17885	3.1
201.09097	37.4
201.16389	3.5
203.07028	8.3
205.08565	16.5
211.07559	5.4
213.79346	2.7
216.90965	2.7
217.08441	6.1
219.02788	3.4
219.10133	20.7
229.08586	34.3
229.15965	4.6
247.02354	9.4
247.09647	100.0
247.13243	4.9
247.16910	9.3
247.20596	3.8
247.24274	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	243.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.3
56.96564	1.2
57.07079	15.0
57.52141	1.4
67.05502	12.0
67.43032	1.3
69.07072	9.9
71.08646	1.8
71.57610	1.4
71.58082	2.1
79.05476	4.7
81.07050	15.2
81.40849	1.2
83.08605	6.9
91.05471	8.5
93.07032	8.2
95.08591	8.6
97.10184	1.4
105.07030	18.2
106.03773	1.3
107.08584	10.0
109.10160	15.9
117.07018	7.4
119.08574	22.3
121.06520	1.8
121.10136	9.8
123.11700	7.6
128.06165	2.1
129.06996	4.3
130.07748	3.4
131.08568	26.5
133.10127	15.6
135.11681	5.5
137.13254	1.8
142.07732	1.7
143.08585	9.6
144.09340	3.6
144.22859	1.4
145.10117	66.3
147.11673	8.5
149.13274	2.2
157.10109	11.9
158.10883	7.4
159.08110	2.4
159.11688	46.6
161.09605	2.2
161.13264	7.8
169.10158	1.6
170.10979	2.1
171.11673	4.1
172.12445	3.0
173.09581	4.5
173.13243	36.1
174.14053	2.3
175.14742	2.3
183.11649	3.1
185.09547	1.6
185.13255	12.8
187.11166	3.8
187.14796	24.8
199.14799	2.8
200.15582	4.0
201.12791	3.0
201.16388	17.2
213.16388	2.6
214.17027	1.3
215.17953	15.9
225.16321	2.0
243.13933	2.3
243.17496	20.0
243.21083	100.0
243.28763	3.6
244.21368	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	247.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79647	0.6
56.96562	100.0
61.02918	0.6
67.05505	0.7
69.03430	1.2
70.87679	1.7
70.98116	5.4
71.95265	0.6
72.08151	1.3
74.97598	7.2
79.05521	0.8
81.03426	1.2
81.07026	0.8
83.04955	0.6
84.04520	0.9
84.08199	0.7
84.96036	4.3
85.02907	1.5
85.06519	0.6
86.97623	0.7
88.99154	5.9
91.05457	0.9
92.98656	2.1
95.05000	0.8
97.02913	0.9
97.99202	0.8
98.97598	2.3
100.99113	3.8
102.97088	1.8
105.79667	0.5
107.00170	3.4
107.04958	1.3
110.97604	0.7
115.05441	0.8
116.98597	3.1
119.00172	9.0
119.01817	0.7
128.98595	5.5
130.96547	1.1
133.01755	2.2
134.99629	3.1
137.01241	2.2
144.98071	9.2
146.83267	0.5
146.99649	9.6
148.97568	5.0
151.02817	1.0
153.00755	1.2
161.01239	2.3
161.98561	0.5
162.99135	30.2
163.03952	1.9
165.00771	1.7
166.98643	3.5
171.99167	0.8
177.00737	0.8
179.02301	0.7
181.00186	23.6
186.00769	1.5
186.99173	1.8
191.03487	1.2
191.13103	0.6
199.01289	5.4
204.01805	1.5
205.00166	16.7
205.01904	1.0
219.02919	2.1
223.01241	52.0
224.01654	1.0
227.59764	0.5
228.01907	2.1
237.02942	0.9
241.02298	10.0
241.04668	0.7
242.61742	0.6
246.02893	4.6
247.02405	3.0
247.06261	0.8
265.02344	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44899	1.9
70.79597	4.4
70.79935	2.4
76.71879	2.2
97.18256	1.7
119.01909	3.0
155.29688	1.9
177.58020	1.9
229.03185	41.8
247.04266	100.0
247.08049	3.7
248.04507	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0964
Annotation	Fraxinellonone
Peak:m/z	Relative Intensity
53.03938	9.8
54.49557	3.3
55.01632	3.6
55.01877	48.2
55.05507	6.2
57.03445	4.6
57.07074	14.1
60.08150	3.5
61.08468	3.7
65.03928	7.7
67.05494	11.1
67.28872	3.2
69.03421	11.1
69.07020	4.3
69.49195	3.0
69.81060	7.3
69.81480	12.6
70.06612	4.7
71.28260	3.1
71.28654	3.1
79.05504	32.7
80.57691	3.2
81.03423	40.3
81.07048	11.8
82.23412	3.2
83.04984	9.5
85.02912	63.6
85.06561	8.0
86.03239	26.1
91.05481	52.8
93.07038	15.7
95.01334	4.3
95.04960	18.9
95.08620	5.3
97.02896	15.5
99.04426	4.1
103.05468	10.9
105.03382	4.0
105.07032	27.1
107.04962	27.7
109.02872	9.8
109.06512	5.0
111.04433	24.0
115.05455	21.7
116.06268	4.8
116.98563	4.0
117.07016	29.6
119.04906	7.2
119.08602	8.5
121.02865	9.2
121.06527	19.1
123.04436	18.2
123.08058	3.6
125.06039	3.5
127.03901	4.8
128.06239	16.0
129.07024	25.9
131.04958	20.7
131.08600	23.6
133.06511	25.7
133.10043	3.5
135.04417	20.5
135.08044	8.6
137.05974	20.5
139.03909	4.1
141.06996	18.6
143.08582	11.4
144.05721	5.0
145.06491	34.1
145.10152	14.0
147.04437	5.6
147.08034	16.6
149.05975	25.1
149.09666	7.0
151.03983	3.8
151.07523	13.6
153.01761	5.4
153.05511	3.0
153.06934	7.0
155.08580	21.9
157.06520	14.1
158.07263	5.5
159.08064	36.4
161.05984	11.0
161.09653	6.6
163.03870	21.3
163.07585	12.7
165.05569	4.5
165.06921	8.4
168.05594	4.7
169.06473	9.1
171.08066	5.2
173.05959	12.5
173.09572	22.8
175.07585	25.6
177.05531	9.4
177.09106	18.0
179.06995	9.1
183.08055	18.0
187.07550	49.2
188.10031	5.4
189.09039	8.1
191.03365	7.6
191.07054	4.9
191.10648	9.1
193.93539	3.2
197.05923	3.4
199.07562	4.4
201.09096	53.4
203.07040	5.5
205.08655	14.7
211.07509	6.2
215.91789	3.6
217.08565	7.0
219.02950	13.1
219.10161	35.7
229.08600	54.2
247.02371	16.2
247.05917	4.4
247.09676	100.0
247.13506	5.4
247.14975	5.0
247.17075	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	247.0963
Annotation	Fraxinellonone
Peak:m/z	Relative Intensity
53.03934	7.0
55.01626	3.7
55.01869	46.8
55.05501	4.8
55.96238	2.3
56.96541	2.8
57.03422	4.8
57.07055	3.4
65.03939	5.1
67.05515	16.0
69.03423	10.9
69.62090	18.2
71.01337	3.6
71.04989	5.2
78.89025	2.1
79.05490	26.8
81.03410	38.3
81.07037	15.3
83.04965	7.7
83.18480	2.2
85.02892	11.0
91.05476	59.2
93.07031	15.3
95.01323	6.0
95.04946	27.0
95.08598	7.9
97.02871	12.9
99.04459	3.6
103.05484	11.4
105.03368	4.6
105.07027	29.2
107.04952	23.0
107.08563	3.5
109.02861	18.7
109.06492	7.5
111.04443	18.6
114.33875	2.5
115.05419	15.1
116.06233	4.5
117.06998	29.0
119.04914	9.6
119.08575	9.4
121.02822	6.2
121.06506	16.7
121.10188	2.8
123.04410	22.7
123.08039	3.5
125.06004	5.9
127.03920	7.6
128.06242	12.7
129.07001	24.5
130.07785	3.9
131.04916	13.9
131.08551	27.6
132.05756	2.5
133.06479	16.5
135.04408	20.3
135.08049	9.7
137.05974	23.1
139.03845	2.2
141.06967	13.9
143.08560	7.1
144.05693	10.2
145.06477	30.0
145.10117	15.2
147.04405	5.0
147.08044	16.6
147.98792	2.7
149.05971	20.1
149.09595	5.2
151.03877	2.8
151.07539	10.5
153.06998	7.9
155.06003	3.3
155.08537	29.7
157.06465	10.3
158.07289	5.2
159.04422	5.9
159.08055	32.3
160.05183	3.2
161.05969	9.7
161.09581	4.1
163.03915	16.3
163.07507	10.0
163.31593	2.4
165.05510	4.2
165.07016	6.0
167.06859	2.6
169.06438	9.4
171.08043	3.9
173.05946	11.6
173.09596	24.0
174.06760	3.7
175.07513	25.9
177.05573	5.8
177.09059	12.8
179.06970	6.6
183.07982	14.9
187.07538	46.6
189.09093	7.6
191.03297	4.7
191.07028	5.2
191.10629	6.0
193.08643	3.7
201.09081	50.6
203.07065	10.1
204.07756	2.8
205.08586	15.9
211.07504	4.4
217.08492	4.6
219.10107	27.4
229.08556	39.7
247.02379	3.5
247.09650	100.0
247.16888	4.2
248.10002	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1548
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
53.03936	0.5
55.05508	2.3
55.25889	0.3
55.65635	0.3
56.05003	0.4
56.96568	3.1
57.03420	1.0
57.07059	0.4
58.06602	21.9
59.04990	0.6
61.02919	0.7
67.05500	0.6
69.03420	1.4
69.07054	1.2
69.52856	3.0
70.06594	3.7
71.04972	0.6
72.08134	0.5
73.02912	0.8
73.06561	0.8
75.02699	0.4
81.03407	1.2
81.07059	0.9
83.04974	0.7
83.08607	0.7
84.08147	11.2
85.02885	1.2
85.06572	0.4
93.03716	1.8
95.04975	0.7
97.02877	1.7
98.09702	1.8
98.97591	2.1
107.04942	0.5
109.02923	0.5
109.10116	0.3
114.05522	0.5
116.98635	2.0
119.01845	0.5
119.04948	0.3
120.05303	0.4
121.06517	0.5
123.04422	0.8
124.04746	0.6
126.05510	0.4
126.09148	0.5
127.03969	0.5
128.02290	0.4
128.10710	4.0
128.98611	0.5
134.99637	1.5
144.10199	1.4
146.99649	1.0
151.07529	0.5
152.07011	1.0
155.04662	2.0
158.99695	0.7
161.01222	0.5
163.04106	0.3
164.05167	1.9
165.04280	0.6
168.03577	0.5
168.10234	1.1
174.00780	0.4
176.05154	0.6
177.00658	1.0
177.05948	0.9
177.11041	0.8
195.12158	1.8
196.09694	6.0
213.05336	0.5
219.01797	0.4
237.02829	0.8
241.15477	100.0
242.15834	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1586
Annotation	Dehydrofalcarinone
Peak:m/z	Relative Intensity
53.03931	1.8
55.01859	2.2
55.05511	7.2
55.05718	1.5
57.03428	2.0
57.07071	2.9
62.38211	1.4
65.03942	1.3
67.05493	5.2
69.07052	4.3
70.84044	2.6
70.84386	3.0
70.95414	1.7
72.11726	1.3
73.22713	1.3
79.05481	7.2
81.07040	4.9
83.04974	4.1
83.08649	1.7
85.06543	1.9
91.05466	8.4
93.03707	2.3
93.07047	3.4
95.04993	2.5
95.08591	3.9
102.93599	1.4
103.91626	1.2
105.07009	4.9
107.04898	1.8
107.08592	1.5
115.05453	3.6
117.07034	4.7
119.08580	4.6
121.06498	2.1
121.10120	2.4
128.06204	9.0
129.07007	31.1
131.08563	8.9
133.06482	2.7
133.10121	4.2
141.06958	7.3
142.07803	8.1
143.04936	1.7
143.08560	33.9
145.06438	2.2
145.10138	5.1
147.07996	1.7
152.06190	1.5
153.06976	4.2
154.07768	2.1
155.08560	23.8
156.09312	5.3
157.06470	10.8
157.10124	21.8
159.08043	3.4
159.11685	4.7
161.09682	1.5
165.06992	5.7
166.07770	4.8
167.08548	10.8
167.84724	1.3
168.09320	2.1
168.34644	1.3
169.10130	11.0
171.08006	9.5
171.11673	18.1
173.09621	2.0
175.11176	1.8
179.08563	2.5
181.10146	14.8
183.11755	4.5
184.08844	2.9
185.09596	22.5
185.13196	7.4
195.11707	8.1
197.09642	2.0
197.13235	14.9
198.10435	3.3
199.11169	24.1
199.14804	9.6
211.14639	1.8
212.11952	1.5
213.12747	3.0
213.16370	10.8
223.14786	16.4
241.15881	100.0
241.19673	3.7
242.16199	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76962	6.3
53.03917	6.3
55.01860	16.5
56.96575	48.1
57.03444	35.0
58.06593	13.9
61.02926	36.4
69.03414	25.9
69.84300	42.8
71.01345	11.9
73.02915	19.4
81.03427	10.4
81.21906	5.7
84.08166	9.3
85.02896	30.4
87.04460	7.9
97.02881	26.4
98.21404	7.7
98.97562	17.6
101.02372	16.5
103.02426	6.8
109.02901	8.1
109.40700	7.6
110.04043	7.1
111.70351	6.5
115.03931	25.3
116.98589	15.4
119.01881	17.4
127.03954	8.7
128.98566	9.2
129.01842	11.7
131.00130	6.6
133.03458	14.1
134.99634	8.9
137.02893	7.6
143.03395	14.4
145.03580	7.1
146.99683	9.0
147.05017	20.6
148.03778	10.9
148.04836	7.9
150.05446	10.8
152.07063	13.8
157.01314	30.2
157.02496	11.3
161.02921	11.8
161.04333	13.0
161.05582	14.8
170.06036	12.9
178.05032	10.0
189.03944	63.7
196.06017	12.8
242.10258	7.9
242.15807	100.0
258.23663	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	243.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	2.1
57.79443	0.1
58.96172	0.1
68.62601	0.1
70.28559	0.3
70.28973	0.3
71.95287	0.3
74.97623	0.1
82.65612	0.1
82.99923	0.3
98.20891	0.2
98.97578	3.7
98.98186	0.2
99.38746	0.1
101.00867	1.1
115.32958	0.1
116.98618	5.6
117.98961	0.2
118.03487	0.1
118.98270	0.2
119.01916	14.0
120.02081	0.4
122.97807	0.2
134.99661	9.4
136.00032	0.1
136.04576	0.1
136.99257	0.3
137.00143	0.3
137.02951	7.8
138.03014	0.2
140.00171	0.2
140.98856	0.3
142.03474	0.6
153.00754	2.9
156.97446	0.2
158.01305	0.6
158.99849	1.2
160.04642	0.2
173.01154	0.2
175.02995	0.2
176.02448	0.3
177.00946	31.1
178.01054	1.7
179.00624	0.6
180.00793	0.1
182.99905	0.5
189.00481	0.2
191.02411	0.1
193.04071	0.7
194.11069	0.1
195.01985	1.0
197.02725	0.1
199.56955	0.1
200.02524	0.9
201.00928	1.3
201.02525	0.3
202.00885	0.2
214.95486	0.2
215.01631	0.1
217.04091	3.6
218.03600	0.7
219.01996	33.0
219.94423	0.1
220.02135	2.9
221.01804	1.4
222.01923	0.2
225.00839	2.4
227.99660	0.2
235.99867	0.2
236.99503	0.3
237.02820	0.1
237.98761	0.2
242.03577	1.5
242.98335	0.3
243.01936	6.7
244.01979	0.3
252.04344	0.2
260.04538	0.3
261.03043	100.0
262.03156	4.7
263.03391	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1432
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
53.03920	5.7
55.05506	15.1
56.96536	14.5
57.03444	9.5
57.11071	6.2
58.51450	5.3
60.20976	6.3
67.05495	19.1
69.03432	23.8
69.07056	19.1
69.88247	5.9
71.04995	15.6
73.64680	6.1
75.02651	7.3
79.05493	17.6
81.03368	12.5
81.07055	32.2
83.04979	25.7
83.08629	13.9
85.02917	7.1
86.09739	5.8
91.05488	21.0
93.03719	17.1
93.07043	72.7
95.04954	13.9
95.08595	40.2
97.02879	16.0
97.06512	11.1
98.97552	30.6
99.04460	15.5
99.08109	6.2
105.07029	17.4
107.04983	10.2
107.08594	34.9
109.06490	14.7
109.10143	18.5
111.04417	10.5
111.08064	17.8
116.98602	27.1
119.08586	19.3
121.06506	16.5
121.10117	29.5
123.08062	19.5
125.05988	9.6
128.02301	13.6
131.08537	6.9
133.10193	11.7
134.99641	15.4
135.08051	15.2
135.11674	32.5
137.09598	100.0
139.07561	11.3
145.10187	9.2
149.05981	8.3
149.13293	13.7
153.05461	8.7
155.08585	8.1
158.01334	6.3
159.11612	11.4
163.07535	8.4
163.11159	13.0
164.81262	6.0
165.07011	9.9
167.08530	6.9
177.00725	22.6
177.12732	79.8
181.08617	16.1
195.13805	72.5
197.17352	15.0
202.04897	6.2
205.12247	13.4
221.07468	7.7
223.11301	7.4
223.13312	17.9
241.05092	13.9
241.08571	20.3
241.12172	8.5
241.19838	14.1
246.33563	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	241.1433
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.05504	24.7
56.96572	9.3
62.07533	8.6
63.45293	8.8
67.05487	21.5
69.03415	19.8
69.07052	18.1
71.57167	9.0
72.85642	7.9
79.05489	11.6
81.07045	21.3
82.29065	8.4
83.04976	9.2
91.05492	17.0
93.07034	71.6
95.08598	29.2
95.41882	9.7
96.08879	9.4
98.97572	30.7
99.04450	15.8
99.08118	10.1
105.07053	16.3
107.08578	38.5
108.96712	8.7
109.06548	12.3
109.10172	9.2
116.98582	12.3
119.01778	18.9
119.08566	20.7
121.06518	20.7
121.10134	23.0
123.08073	16.6
133.10132	17.0
135.08040	17.1
135.11647	47.3
137.09624	100.0
139.07492	17.7
149.13269	11.3
159.11668	29.9
177.00693	16.5
177.12752	91.6
181.06441	15.6
185.09549	13.7
195.13812	82.1
205.12270	15.6
221.07291	11.7
221.38022	8.8
223.08638	11.1
223.13246	23.7
230.08087	12.0
241.08562	27.5
241.12311	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	237.1848
Annotation	[1alpha,3beta(E)]-(+-)- 2,2-Dimethyl-3-(3-methyl-7-oxo-3-octenyl)cyclopropanecarboxaldehyde
Peak:m/z	Relative Intensity
53.03943	3.1
55.01883	3.4
55.05505	15.4
55.40869	1.1
56.96568	1.5
57.03438	4.0
57.07077	6.2
59.05007	2.0
64.94168	1.1
65.03954	1.3
67.05502	26.4
67.05833	2.1
69.03423	7.8
69.07066	19.9
69.07418	1.7
71.04987	6.7
71.08620	1.3
71.19086	1.0
71.49837	2.3
73.06565	1.9
79.05491	25.1
81.03423	1.9
81.07056	100.0
82.07418	1.3
82.75264	1.1
83.04992	5.2
83.08613	12.7
84.96072	1.3
85.06543	11.4
91.05487	10.4
93.07043	25.4
95.04980	6.4
95.08605	34.7
97.02864	1.4
97.06515	10.1
97.10188	4.2
98.49753	1.1
99.08092	10.1
103.05453	1.7
105.07018	17.9
107.04982	3.5
107.08586	21.6
109.06516	15.1
109.07172	1.6
109.10159	31.2
111.04435	1.4
111.08112	5.6
115.05495	1.8
117.03429	1.1
117.07045	3.6
118.38429	1.2
119.04922	1.2
119.08580	10.1
121.06513	6.0
121.10148	16.5
123.08108	3.7
123.11689	6.0
125.09660	5.0
127.07563	4.8
127.11250	3.4
129.06999	1.5
131.04950	3.2
131.08546	6.3
133.06499	2.0
133.10144	8.3
135.08089	4.7
135.11671	8.6
137.06038	1.4
137.09656	4.5
137.13313	2.7
139.03931	2.0
139.11238	3.3
143.08618	1.6
145.10129	8.2
147.08102	1.4
147.11703	3.6
149.09642	4.1
149.13272	4.1
151.11168	7.1
153.01883	2.3
155.10696	1.3
159.08101	2.7
159.11687	7.0
161.05975	1.6
161.13284	4.6
163.03914	8.0
163.07556	2.7
163.11194	6.7
163.14850	3.5
165.06990	1.4
165.12799	1.2
173.13251	1.9
175.07578	1.3
175.14886	3.6
177.05562	1.6
177.09196	1.5
177.12769	3.6
177.16399	2.6
178.06277	2.3
187.07553	1.2
191.03400	11.0
191.07042	1.8
191.14442	1.4
191.17982	3.8
195.11855	1.6
201.16335	5.8
207.11729	1.7
209.04500	2.4
219.02905	3.4
219.10228	2.0
219.13783	1.9
219.17400	11.6
227.06128	1.2
237.03986	4.1
237.07532	2.6
237.11089	2.0
237.14847	4.6
237.18503	23.4
237.22122	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	238.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.8
67.05496	1.2
69.52756	6.3
69.53172	1.2
77.06248	0.8
79.05488	23.9
85.02897	1.2
87.00824	2.2
91.05478	1.2
93.07071	0.9
95.04973	2.4
97.02868	1.2
97.06561	0.9
106.06548	100.0
107.04955	12.8
107.06874	2.0
120.08031	0.9
125.76206	0.9
132.04454	9.6
135.04401	21.7
148.07520	1.0
152.07048	2.0
153.01837	1.6
163.14977	0.8
164.04199	1.1
174.05446	1.6
174.12759	1.1
192.06538	41.7
192.10187	1.3
193.06908	1.1
220.05966	1.3
226.45364	1.0
238.05244	1.3
239.08989	0.9
244.65390	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1075
Annotation	Fumariflorine
Peak:m/z	Relative Intensity
54.18603	1.8
55.01870	3.7
55.05498	1.9
56.96556	16.4
57.03453	2.1
59.85545	1.4
67.05520	2.5
69.03419	4.7
70.06580	5.6
71.57153	2.7
72.08134	4.1
73.02918	2.2
74.02438	2.6
74.06066	3.3
74.97569	1.7
81.03425	3.5
83.04980	3.6
85.02889	6.6
91.05461	6.9
95.04977	13.9
97.02870	4.7
98.86794	1.8
98.97562	5.9
103.05457	2.5
106.06541	3.5
107.04942	9.7
109.02882	2.1
116.98615	4.9
119.01892	2.1
119.04936	18.7
121.06513	4.2
123.04420	33.0
130.06563	2.8
133.03398	2.1
133.05228	2.1
133.06519	2.9
134.05991	5.0
134.99649	8.1
135.04449	2.1
135.06787	66.5
136.06168	5.2
137.05960	2.2
145.03444	2.8
145.06471	2.0
146.05974	11.8
146.09570	2.7
146.99643	2.4
147.04483	11.5
147.06342	32.1
147.08043	2.2
148.07559	2.4
150.05453	2.2
157.07651	2.7
157.09230	2.5
159.06757	4.2
161.01222	3.1
165.05464	18.1
172.95265	2.6
174.09137	21.1
177.00685	1.9
187.03908	2.2
190.96262	3.8
191.58542	1.7
192.06549	3.0
192.10181	100.0
214.96318	1.7
233.01410	2.7
237.02864	2.3
238.06909	3.1
238.10776	7.7
238.15096	1.6
256.03101	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1482
Annotation	Cuspidiol
Peak:m/z	Relative Intensity
53.03930	3.3
55.01866	6.7
55.05509	6.9
56.96563	7.1
57.03200	1.6
57.03430	18.9
57.07064	3.0
60.72960	1.2
65.03934	1.8
67.05231	1.1
67.05504	11.7
69.03400	4.7
69.07042	5.3
71.01351	1.2
71.04971	5.0
71.57153	1.3
79.05064	1.7
79.05491	22.6
81.03400	1.8
81.06660	1.6
81.07058	15.7
83.04972	6.7
85.02878	2.9
85.06537	8.0
89.03910	2.8
91.04972	1.9
91.05477	24.9
93.07041	19.6
95.04963	8.3
95.08593	9.3
97.02867	3.0
97.06543	6.7
99.03851	1.8
99.04450	26.1
103.05418	4.6
105.07021	17.2
107.04433	1.0
107.04954	10.8
107.07973	1.4
107.08601	16.3
109.06512	56.3
109.10101	4.6
111.04411	3.5
113.06044	1.4
115.05441	2.5
116.06229	1.3
116.98598	2.4
117.03365	2.3
117.07021	9.3
119.04942	2.9
119.08573	14.2
120.08080	1.8
121.06449	5.3
121.10132	12.2
123.08021	4.4
123.11622	1.5
125.09595	1.6
125.51196	1.2
126.67580	1.3
128.06213	1.7
129.07022	7.9
130.07741	2.2
131.04895	2.5
131.08583	10.6
133.06413	2.2
133.10077	5.4
134.99701	1.5
135.04388	3.5
135.08040	13.0
135.11678	11.8
137.05936	4.3
137.09650	1.8
139.11134	2.1
141.06960	2.5
143.08563	2.2
145.01717	1.3
145.02818	2.5
145.06450	4.1
145.09061	2.2
145.10121	30.8
146.07265	1.2
146.99689	1.5
147.04376	2.1
147.08040	12.0
149.05942	2.0
149.09599	5.2
151.11090	1.8
153.01778	1.7
153.05479	2.5
153.07013	1.2
155.08517	3.2
157.10115	2.2
158.07124	1.5
159.08020	3.7
159.11699	10.0
161.05957	2.2
161.09584	3.4
163.02608	1.3
163.03896	25.4
163.07494	5.5
163.11174	100.0
164.11461	2.6
165.05510	1.6
165.06981	1.6
173.05919	2.9
173.13264	9.9
174.06805	2.1
175.07570	2.4
175.11267	5.9
177.05428	2.2
177.09004	3.0
177.12708	4.2
179.08534	2.2
183.11610	3.4
189.09109	3.2
191.03381	42.2
191.07027	16.5
191.10657	2.6
191.14252	4.8
192.03624	2.8
192.84984	1.3
193.08572	1.9
195.11687	1.9
196.00560	1.3
201.05382	1.4
201.12741	15.1
202.10803	1.4
209.04437	9.0
219.02969	10.9
219.06444	4.5
219.10078	4.8
219.13789	25.0
237.03918	14.8
237.07289	7.4
237.12810	2.5
237.14798	39.8
237.18407	2.0
237.22078	4.5
238.08165	1.6
248.10606	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0869
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
55.01855	1.4
55.05504	4.0
56.96584	2.0
57.07071	3.6
67.05497	4.6
68.05029	1.2
69.07059	4.3
69.86419	3.6
69.86858	3.0
71.04988	1.0
74.02444	2.5
79.01869	1.5
79.05498	5.0
81.07048	4.9
83.04976	4.0
83.08617	2.7
91.05450	4.4
93.07038	3.8
94.06580	3.0
95.04943	1.9
95.08614	2.9
97.06528	2.2
97.10177	1.2
98.21513	1.1
98.97583	1.2
104.04972	2.1
105.07011	1.8
107.06125	1.3
107.08590	3.0
109.10159	1.7
110.06023	1.2
110.77553	1.0
111.08078	1.4
116.98631	1.8
117.05752	1.2
118.06538	10.3
119.08610	1.6
120.04420	1.6
120.08109	1.2
121.10120	1.9
122.06077	1.3
123.11713	1.7
128.04973	7.1
130.06522	8.3
130.65100	1.1
131.04926	1.5
132.04407	2.8
133.05200	1.6
135.08037	1.6
135.11739	1.4
136.07556	6.2
139.11200	1.1
145.07594	2.0
146.06010	100.0
147.06352	1.6
148.03934	19.7
150.05518	2.8
153.01802	6.0
157.07616	7.3
159.09209	2.1
163.03912	1.8
164.07082	2.7
173.07126	4.4
174.04147	1.4
174.05530	15.8
176.07108	1.2
191.03485	1.9
191.08186	24.7
192.06564	4.4
195.13924	1.4
201.04248	1.3
202.04982	4.7
203.08189	5.4
220.06061	4.2
237.08894	8.3
237.12625	1.8
237.14828	2.5
237.22108	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	237.0392
Annotation	2-Hydroxy-3-carboxybenzalpyruvate
Peak:m/z	Relative Intensity
53.03937	1.3
55.01864	1.8
55.05506	0.8
57.03448	0.7
57.07069	0.4
61.65803	0.4
65.03939	1.5
65.46429	0.4
67.05490	1.7
68.99792	1.2
69.07061	1.2
70.24993	0.7
70.25346	1.6
71.01331	0.5
71.04977	0.5
77.03928	0.5
79.05488	9.9
81.03404	0.5
81.07053	1.5
81.57817	0.4
83.04987	1.1
89.03910	4.0
91.05476	7.0
93.03403	1.2
93.07043	1.3
95.04958	2.7
95.08619	1.5
99.04453	1.0
105.07034	0.7
107.04948	14.8
107.08585	1.0
108.48987	0.4
109.02889	0.5
109.06519	1.8
109.10160	0.9
111.04433	1.6
117.03379	4.9
119.04939	4.6
119.08575	1.0
121.02844	1.3
121.06511	0.6
121.10143	1.5
125.05965	0.6
129.07039	0.5
131.08595	0.7
132.34547	0.4
133.02791	0.7
133.10149	0.5
135.04413	7.3
135.08038	0.5
135.11705	0.5
137.02319	0.8
139.03889	6.3
145.02829	4.3
145.10153	1.2
147.04395	5.2
149.02350	1.2
153.01822	1.4
153.05457	1.5
159.11716	0.5
163.03896	62.7
163.11214	2.1
164.04282	0.9
165.01813	0.9
165.05449	0.8
167.03406	2.4
173.02330	1.0
175.03819	0.9
180.02626	0.4
181.01321	0.7
181.04915	2.0
191.03381	100.0
192.03767	1.4
193.04988	0.7
193.08395	0.5
195.02910	0.6
204.50920	0.4
208.03656	1.5
209.04440	23.9
209.13333	0.4
210.04826	0.5
217.65422	0.4
219.02867	22.4
219.10182	0.5
237.03926	32.5
237.12869	0.5
237.14845	1.1
237.18497	1.1
237.22072	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0756
Annotation	6,7,8-Trimethoxy-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
55.01852	1.9
55.05501	8.1
57.03410	1.5
57.07058	3.2
58.12428	0.9
65.03928	1.3
67.05502	10.9
69.03408	3.8
69.07065	10.8
69.95889	1.6
69.96302	3.3
71.04977	3.2
71.08651	1.2
74.69691	0.8
79.05492	9.1
81.03403	0.9
81.07059	19.6
83.04978	4.9
83.08604	4.0
85.06522	2.5
91.05472	9.7
93.06492	1.0
93.07043	14.9
93.73058	0.8
95.04974	5.5
95.08047	1.4
95.08601	14.0
97.06531	4.3
97.10131	1.6
99.08078	2.0
103.05441	1.9
105.03389	1.7
105.07022	8.6
106.01888	0.8
107.04958	3.3
107.08588	13.6
109.06509	4.2
109.10160	8.6
111.08050	2.4
115.05430	1.3
117.07001	3.5
119.04887	2.1
119.08546	6.5
120.05690	2.7
121.06497	3.8
121.10127	11.9
123.04414	2.4
123.08042	2.8
123.11704	5.2
125.09621	1.9
131.04909	3.4
131.08597	4.6
133.02792	1.5
133.06480	1.1
133.10104	5.4
134.03629	2.0
135.04372	3.1
135.08032	1.9
135.11722	8.2
137.05949	2.4
137.09584	3.3
137.13177	1.4
139.11140	1.1
140.94679	0.8
145.10114	6.0
146.03676	1.3
147.04405	7.9
147.11688	3.4
148.05208	8.2
149.09653	5.2
149.13235	3.6
151.03889	3.8
151.07495	1.6
151.11171	3.2
159.08072	1.4
159.11673	5.4
161.02324	1.0
161.13203	3.5
163.03899	9.8
163.07500	1.2
163.11159	3.7
163.14798	2.5
165.05411	2.9
165.06816	1.6
165.12738	1.2
166.06299	1.9
166.07573	1.2
173.13229	3.5
175.03896	3.6
176.04701	10.4
177.01892	1.1
177.05345	1.8
177.09064	1.1
177.12695	1.8
177.16350	1.6
178.06267	6.9
178.07690	1.6
179.03389	4.0
179.08537	2.8
180.09300	1.3
181.08577	3.1
181.10062	1.8
191.03394	19.6
191.06917	1.4
191.14264	1.2
191.17911	1.1
192.04086	1.8
193.04941	16.1
193.06525	1.6
193.10042	1.2
194.05717	2.5
194.10826	2.6
195.07950	1.0
195.11681	2.0
199.67278	0.9
201.16446	4.2
203.03378	3.2
203.08450	0.9
204.04155	5.6
205.01358	1.3
207.02867	19.3
207.08241	1.1
209.04352	2.1
209.08092	1.1
209.13242	1.8
215.19415	0.9
219.09996	1.2
219.13815	4.8
219.17287	4.3
221.04367	2.3
222.05228	16.7
222.10374	5.9
237.03711	2.5
237.07541	100.0
237.12918	8.6
237.14838	5.3
237.18524	7.1
237.22098	3.7
242.17943	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
54.09412	0.4
55.01868	1.5
55.05504	0.5
57.03430	0.4
65.03946	1.0
68.99816	0.6
69.07069	0.5
69.76618	2.0
69.77028	0.8
71.01360	0.5
77.03891	0.4
79.05491	7.0
81.07052	1.2
83.04977	0.5
88.33162	0.4
89.03907	3.0
91.05471	5.5
93.03400	0.8
93.07034	1.1
95.04971	2.5
95.08594	1.1
98.21469	0.7
103.05434	0.4
105.06995	0.9
106.46543	0.3
107.04955	14.2
107.08564	0.8
109.06547	0.4
111.04437	1.6
117.03376	4.9
119.04938	3.9
121.02874	0.5
121.06496	0.5
121.10110	0.7
125.09594	0.5
131.08517	0.5
133.52397	0.4
135.04414	7.7
135.08049	0.5
139.03906	5.4
145.02858	4.1
145.03906	0.7
145.10133	0.4
147.04387	3.4
149.02361	1.0
153.01833	1.3
153.05460	0.8
159.11681	0.4
163.03902	58.6
164.04291	1.0
165.01810	1.1
165.05463	0.7
167.03412	2.3
173.02304	1.2
175.03871	0.7
177.01857	0.4
177.12770	0.5
179.03435	0.5
181.04955	1.3
191.03389	100.0
192.03752	2.1
208.03702	0.9
209.04448	22.8
210.04761	0.6
219.02885	21.6
219.13760	0.7
220.03078	0.4
237.03932	30.6
237.14726	0.7
237.18437	0.5
238.04329	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2055
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
52.43890	1.7
53.03923	3.8
55.01868	8.0
55.05511	21.7
57.03435	3.5
57.07072	55.9
59.00463	1.8
61.86023	1.5
65.03939	3.6
67.05502	77.7
69.03418	5.6
69.07067	23.2
70.04606	7.1
71.01340	2.8
71.04981	5.9
71.08627	5.9
79.05489	46.5
81.03416	4.3
81.07053	100.0
83.04980	9.9
83.08617	13.0
84.95997	1.9
85.02937	1.8
85.06532	12.7
85.10184	2.7
87.08115	1.8
91.05476	49.3
93.06533	1.1
93.07037	54.6
95.04964	11.7
95.08599	99.6
97.02914	1.8
97.06516	10.6
97.10158	7.6
99.08092	8.4
103.05477	2.1
105.03402	3.4
105.06299	2.6
105.07016	45.6
105.07686	3.2
107.04969	5.2
107.08588	38.9
109.02892	2.9
109.06511	10.3
109.10148	38.7
111.04439	2.7
111.08075	7.4
111.11684	1.9
113.09616	4.9
115.05443	8.6
115.75921	1.5
117.07000	11.9
119.04944	3.4
119.08569	49.2
121.06490	6.0
121.10133	38.9
123.04418	6.8
123.08083	9.3
123.11711	18.1
125.09613	2.8
128.06235	8.8
129.07034	8.6
131.04935	2.3
131.08549	6.3
133.06509	5.0
133.10124	44.8
135.08043	3.6
135.11676	32.3
137.05983	2.2
137.09610	8.7
137.13252	8.3
139.11211	4.4
141.06923	1.7
142.07780	2.0
143.08577	9.7
145.06483	12.2
145.10136	4.6
147.08041	11.7
147.10648	2.6
147.11694	29.9
149.05969	2.2
149.09537	3.2
149.13269	9.0
151.07544	4.8
151.11179	6.6
151.14833	5.9
153.12730	2.7
157.06499	1.6
157.10136	5.3
159.11688	3.4
160.05202	1.8
161.05975	4.7
161.09625	11.1
161.13257	25.0
161.45976	1.6
163.07550	3.5
163.14854	4.5
165.12805	3.3
167.07082	1.8
167.14395	1.6
171.08032	5.8
171.11736	2.3
173.06001	6.5
173.13208	2.1
175.07542	8.1
175.11211	8.2
175.14784	16.0
177.16386	3.1
179.10654	27.2
179.14206	2.2
183.19293	1.7
189.02139	1.6
189.09079	5.5
189.12730	3.5
189.16370	6.9
191.07088	3.5
191.17943	8.8
193.08640	2.0
193.15816	2.1
199.14851	4.7
205.08513	2.4
207.10114	2.7
217.08560	9.4
217.12329	3.9
217.16150	10.5
217.19493	53.6
235.09682	15.5
235.13400	10.3
235.16939	94.0
235.20576	66.0
236.17149	2.5
236.20920	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1327
Annotation	Dehydrooreadone
Peak:m/z	Relative Intensity
52.00256	1.4
53.03938	2.8
55.01623	1.3
55.01862	9.8
55.05507	9.7
56.96531	2.1
57.03407	4.8
57.07072	60.6
59.05006	1.4
65.03910	2.1
67.05188	1.5
67.05502	21.6
68.99801	1.8
69.03409	4.8
69.07047	5.4
69.26038	15.8
69.26386	1.3
71.01349	13.9
71.04989	9.2
72.27685	1.4
73.91166	1.2
79.05075	1.8
79.05489	26.0
81.03381	5.9
81.07053	24.0
83.04955	5.5
83.08588	2.0
85.02909	1.8
85.06540	21.7
91.05477	35.8
93.07047	20.3
93.82870	1.4
95.04967	14.0
95.08594	14.8
97.02845	1.7
97.06519	2.8
98.00993	1.3
103.05440	5.3
105.03388	2.4
105.06400	2.3
105.07025	29.7
107.04947	10.6
107.08601	11.4
109.02866	1.4
109.06499	6.8
109.10130	5.4
110.46742	1.4
111.04413	2.6
111.08073	2.1
111.43192	1.3
112.51568	1.4
115.05448	8.7
116.98513	1.3
117.07016	9.7
119.04938	3.1
119.08583	16.9
120.08089	2.3
121.06496	7.5
121.10130	8.3
123.04406	7.9
123.08040	8.1
123.11726	1.7
128.06235	7.4
129.06998	17.9
130.07764	1.5
131.04875	4.9
131.08585	7.0
133.06474	8.0
133.10106	11.2
135.04373	1.8
135.07997	4.4
135.11647	2.5
136.59918	1.3
137.05951	5.5
137.09607	3.0
139.03825	1.7
139.07591	1.4
141.06952	3.4
142.07726	2.6
143.08572	7.9
145.06479	10.2
145.10136	9.2
147.08075	9.9
147.11674	6.1
149.05977	9.6
149.09560	4.5
151.06654	1.2
151.07552	13.6
151.11102	3.5
155.08493	2.6
156.09299	3.4
157.06499	2.8
157.10077	4.3
159.11646	1.7
161.05957	7.0
161.09631	6.6
161.13268	3.2
163.07512	2.9
165.05481	1.6
165.06958	3.8
165.08992	2.0
165.12674	1.7
166.07745	1.7
171.07999	2.4
171.11708	8.9
173.05904	2.1
173.09573	4.9
173.13141	1.6
175.07513	10.9
175.11105	4.3
175.14769	3.7
177.09033	2.0
179.08440	3.3
179.10663	39.9
181.10045	2.2
189.05487	2.1
189.09027	4.8
189.12686	4.7
191.06921	2.1
191.08464	5.7
191.10529	2.6
192.09319	11.6
195.87047	1.4
199.11127	3.6
205.06503	2.5
205.10120	2.3
206.10896	2.7
207.10043	3.5
207.11644	6.3
207.13425	2.2
217.08560	2.9
217.12192	10.7
217.15619	1.6
220.08757	4.7
220.12410	2.8
235.02316	2.6
235.05942	2.8
235.11073	15.4
235.12993	22.8
235.16862	100.0
235.20618	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	235.1329
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
53.03938	5.0
55.01854	3.3
55.05506	9.0
56.96549	3.0
57.03411	1.5
57.07074	39.3
59.04987	2.8
67.05500	14.9
69.03427	12.5
69.07063	10.1
69.40866	4.7
69.41295	5.1
71.04976	3.7
73.02889	1.3
77.03905	1.9
79.05069	1.4
79.05492	20.2
81.03413	2.6
81.07058	20.3
83.04978	9.2
83.08607	2.4
85.06529	3.7
91.05473	19.9
93.07046	16.3
94.67386	1.1
95.04971	12.7
95.08602	16.3
97.02891	1.6
97.06507	4.7
97.10146	1.1
98.97565	2.2
99.08144	1.2
103.05457	3.7
105.07028	30.7
107.04972	9.2
107.08589	16.7
109.02852	1.7
109.06509	7.8
109.10159	7.8
111.04437	2.5
111.08077	2.2
115.05437	4.4
116.98619	4.0
117.07056	6.6
119.04976	1.6
119.08580	23.6
121.06512	6.8
121.10144	13.4
122.07298	1.5
123.04423	5.8
123.08089	5.1
123.11658	3.5
125.05990	37.2
125.09616	2.1
128.06210	3.7
129.06993	5.5
131.08525	6.8
132.05659	1.6
133.02831	4.2
133.06490	17.3
133.10132	12.6
134.99641	2.0
135.04449	2.7
135.08026	7.4
135.11690	7.0
137.05945	1.9
137.09619	8.0
139.07527	2.4
141.07002	2.3
142.07793	3.5
143.08568	6.7
145.06514	6.3
145.10146	5.4
146.99535	1.3
147.04366	1.1
147.08034	13.8
147.11713	12.2
149.02325	4.3
149.05984	1.7
149.09615	3.7
151.03896	25.8
151.07578	1.8
151.11169	2.2
153.06973	1.4
156.09297	5.6
157.06534	2.3
157.10112	7.7
159.08052	8.1
159.11702	3.3
160.05170	1.5
160.08800	1.9
161.06007	7.5
161.09651	6.1
161.13266	8.5
162.10471	1.1
163.03911	16.0
163.07574	2.4
163.11162	2.5
164.04201	1.4
165.05463	4.7
165.09164	2.2
165.12730	1.2
171.04445	1.2
171.08052	1.2
171.11705	11.1
173.05984	1.7
173.09598	3.6
173.13190	1.4
174.10405	2.5
175.07570	9.0
175.11206	16.0
175.14838	7.0
177.00716	1.6
177.09064	1.5
177.12694	2.6
178.07835	1.5
179.07086	2.6
179.10670	27.0
184.08890	2.0
187.07523	1.3
187.11148	2.1
189.05383	1.7
189.09084	2.8
189.12798	11.4
189.16386	3.3
191.06995	1.8
193.08588	1.7
193.12299	2.1
199.11198	8.3
199.14859	2.0
203.07103	1.5
207.02815	1.6
207.10052	1.9
217.08745	2.4
217.12236	38.9
217.15642	6.0
217.19444	3.7
235.02469	1.4
235.05533	5.3
235.09525	6.7
235.13358	18.8
235.16917	100.0
235.20288	6.2
257.76956	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1327
Annotation	Pterosin N
Peak:m/z	Relative Intensity
53.03952	7.5
53.06992	3.8
55.01863	14.7
55.05513	20.2
55.45765	3.4
56.22992	4.1
56.63079	3.6
57.03430	18.3
57.07074	63.8
67.05500	47.5
69.03426	10.9
69.07047	10.0
71.01361	40.9
71.04991	29.8
71.57148	6.6
79.05496	76.6
81.03432	19.2
81.07053	63.1
82.06573	5.4
83.04974	12.5
85.06544	59.8
91.04971	7.1
91.05486	95.3
92.77512	3.7
93.07047	35.0
94.06559	6.5
95.04961	29.7
95.08614	19.0
97.06506	12.2
100.11262	5.5
103.05487	16.6
105.07027	74.7
107.04973	22.0
107.07402	4.3
107.08607	20.7
108.08141	5.4
109.06522	16.7
109.10158	7.0
115.05457	18.3
116.06226	4.6
117.07002	27.4
119.04921	6.8
119.08578	37.6
120.08064	5.8
121.06477	20.7
121.10141	15.9
122.09632	6.2
123.04427	14.2
123.08076	14.1
128.06229	18.4
129.06998	44.8
130.07799	6.5
131.04964	13.9
131.08588	15.4
132.08086	11.2
133.02875	6.1
133.06522	29.2
133.10089	21.6
134.09575	6.5
135.08083	7.9
137.06000	9.5
141.06993	8.1
142.07762	5.8
143.08575	23.0
144.08087	7.6
145.06493	17.9
145.10112	14.4
147.08047	19.2
147.09081	5.5
147.11682	18.6
149.05983	25.3
149.06978	4.1
149.09662	10.8
151.07541	44.8
153.01808	19.8
155.08565	5.3
157.06416	8.7
157.10104	7.5
159.08032	7.8
161.06001	19.3
161.09590	8.7
161.13255	5.2
163.11156	7.8
165.12856	5.1
171.11627	25.3
173.09644	15.1
175.07559	13.7
175.11191	7.3
179.03317	5.4
179.10701	40.0
181.10089	5.5
189.09122	4.1
189.12743	11.1
191.10628	5.4
193.12050	4.4
194.15514	4.8
199.11230	10.0
207.02875	11.8
207.10124	7.6
217.12224	17.5
218.15465	7.5
235.02332	8.1
235.05881	5.6
235.09679	7.1
235.13211	82.2
235.16644	100.0
250.54659	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	233.1495
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
50.65180	0.5
55.05501	0.7
56.05035	18.0
56.96558	0.9
57.03428	2.3
57.07081	0.5
58.06591	4.2
67.05519	0.8
69.07115	0.5
69.84473	1.9
69.84878	1.0
74.06080	100.0
75.04484	1.6
79.05478	0.7
82.06541	0.7
82.93375	0.5
84.04489	3.4
86.09705	22.7
90.94812	0.7
91.05472	0.7
98.97612	0.6
101.07158	2.2
103.05507	0.5
104.09811	0.5
105.07039	0.6
109.72408	0.5
125.98525	0.4
126.12800	0.5
131.04938	0.8
131.97440	0.7
132.10205	19.4
142.12292	0.7
143.11844	0.6
147.07965	0.5
150.96877	0.8
159.04439	0.9
161.28688	0.5
169.13423	2.1
174.99437	0.5
187.03894	0.7
187.08704	0.6
187.14432	8.4
189.12560	0.6
190.98749	1.0
205.05170	0.5
208.99821	0.8
215.14017	2.6
227.06206	0.6
233.04434	0.9
233.08092	0.7
233.15045	6.6
233.19022	0.7
244.64781	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
55.05497	6.5
56.96541	1.5
57.07060	4.7
58.51689	1.6
58.64853	1.8
65.03936	1.8
67.05502	12.8
69.07067	8.2
69.49326	10.2
69.49742	3.2
71.04979	1.6
71.08610	1.5
74.06178	1.5
74.33215	1.4
79.05488	16.9
81.07053	32.3
83.08586	3.2
91.05478	23.0
93.07041	25.9
95.04948	4.8
95.08601	29.5
103.05453	2.2
105.07030	40.4
107.04955	3.5
107.08586	18.5
109.06518	4.3
109.10175	8.2
111.08110	2.4
111.14664	1.5
113.06953	1.6
117.07005	11.7
119.08578	24.7
121.06476	4.3
121.10111	11.3
123.08089	1.6
123.11784	1.8
125.05990	3.8
129.06981	3.5
130.07800	3.5
131.08562	44.2
133.06508	2.4
133.10126	15.3
135.04434	1.6
135.08041	2.6
135.11682	4.3
137.05939	1.8
139.07542	5.0
143.08569	5.1
145.06451	3.9
145.09052	2.9
145.10127	39.8
147.08038	2.5
147.11673	9.9
149.06015	3.0
149.09595	4.6
151.07568	4.1
151.11189	2.0
155.08569	4.6
157.10136	4.2
159.08055	6.5
159.11697	22.9
161.13245	14.3
163.07553	4.3
169.10107	2.7
171.11588	1.8
172.12529	1.7
173.09589	5.0
173.13246	4.7
174.38274	1.5
177.05476	5.4
177.09105	9.5
178.06262	4.5
182.11017	2.8
187.11192	5.2
187.14821	100.0
188.15205	3.0
189.16315	2.6
191.10678	3.6
197.13249	8.4
205.15820	3.2
215.14308	24.0
215.17772	2.1
217.15834	4.3
233.04509	2.6
233.11601	5.2
233.15366	46.9
233.18950	19.2
233.22688	2.9
246.51178	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40302	0.8
56.96564	8.5
57.62391	0.9
66.60238	1.0
69.41290	9.1
70.06585	0.9
84.96030	0.8
85.02906	1.1
93.46653	0.9
98.97596	1.2
100.99139	1.8
101.00881	4.6
110.97601	1.3
116.98635	1.1
119.00218	1.3
119.01912	14.6
124.14449	0.9
128.98604	1.6
131.01906	1.8
137.02948	3.0
143.01909	13.5
144.98120	1.6
145.03459	1.1
146.99612	3.4
161.02956	30.9
162.03177	1.2
162.99097	1.4
165.00713	1.3
173.02910	3.1
175.04472	1.1
176.17955	0.9
184.04582	1.6
190.98613	2.2
191.04001	1.3
208.99696	2.7
220.39694	0.9
233.06314	100.0
234.06697	2.2
251.62541	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0443
Annotation	5-Hydroxyxanthotoxin
Peak:m/z	Relative Intensity
53.03931	2.0
55.01864	2.1
55.05506	1.0
57.07053	1.0
65.03932	1.0
67.05488	2.9
68.50294	0.8
68.99773	1.6
69.03427	1.3
69.07038	1.1
69.29420	0.7
71.04961	1.3
71.57912	1.1
74.31319	0.9
77.03894	0.9
79.05485	4.3
81.03403	1.3
81.07042	2.9
83.04967	2.0
89.03926	0.9
90.11929	0.8
91.05476	6.8
93.07040	5.3
95.04959	5.9
95.08595	1.2
96.91657	0.9
98.97581	1.1
99.04431	2.4
101.89988	0.8
103.05463	22.6
105.07020	10.9
107.04958	3.6
107.08578	3.6
109.06490	1.4
115.05440	3.0
117.07005	3.7
119.04905	1.5
119.08548	3.0
121.06499	6.7
121.10108	2.8
123.08040	1.4
127.07489	1.0
128.06183	0.9
129.06947	2.0
130.07773	2.6
131.04919	88.1
131.08557	6.1
132.05261	1.6
133.06490	1.8
133.10152	2.9
135.04379	1.3
135.08055	1.4
137.09575	2.6
139.03914	1.0
143.08574	2.5
144.09320	1.5
145.06506	3.6
145.10121	16.9
147.04387	0.9
147.08032	1.9
147.11661	2.1
149.05989	5.0
149.09633	4.2
153.01855	1.2
158.07230	1.0
159.04408	100.0
159.08028	2.9
159.11699	4.0
160.04773	2.4
163.03899	24.5
163.11177	3.5
164.04332	1.0
169.10129	1.8
171.11684	1.2
173.09622	19.9
173.13257	1.4
175.07523	1.4
175.11154	1.4
177.05464	37.0
177.09241	1.4
187.03896	40.5
187.11171	8.3
187.14719	1.0
188.04289	1.3
189.12616	1.0
191.03349	5.7
203.03406	1.0
205.04951	92.5
205.12154	1.5
206.05321	3.8
211.66306	0.9
215.03383	20.6
215.10588	4.6
215.14273	1.4
222.08244	1.2
233.04453	43.4
233.08107	2.0
233.11717	6.7
233.15295	6.7
233.19025	1.6
239.37408	0.8
248.97513	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1547
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01861	1.1
56.96560	3.5
57.03433	2.2
58.06311	0.4
58.06599	8.1
59.04982	0.4
59.07366	1.5
60.07879	0.6
60.08163	9.7
61.02916	1.7
68.05012	1.5
69.03420	1.2
70.06592	49.4
71.04955	0.6
71.06884	0.5
71.57208	0.7
72.08160	0.9
73.02895	1.7
81.03419	0.5
81.04525	1.6
84.96011	0.4
85.02885	2.0
85.06536	0.5
87.04456	0.4
90.01576	0.5
95.06097	2.8
96.08125	3.0
97.02889	2.1
98.06030	0.8
98.97560	3.4
101.00838	1.1
108.02498	0.4
109.02841	0.6
110.97571	0.5
114.05532	4.6
114.06355	0.4
114.06616	0.4
114.09153	1.6
116.07095	1.0
116.98606	1.7
119.01891	4.9
124.07583	5.1
126.09139	0.7
127.03983	0.4
127.05063	1.5
128.02312	1.9
128.98584	1.4
131.01891	2.0
133.01736	0.6
135.03050	0.6
137.02910	1.5
142.08632	39.0
143.00191	0.5
144.03638	0.7
144.99765	0.4
146.99615	1.3
148.03885	3.7
148.54048	0.6
149.02856	0.6
151.02768	1.0
153.01830	0.6
157.04491	2.1
158.99696	0.5
159.54689	0.8
160.02010	0.5
161.01190	0.5
170.08128	1.8
177.00710	0.8
183.07663	1.7
183.11261	2.8
186.99463	0.5
187.00938	1.0
189.00737	0.7
201.00734	0.5
215.00256	1.0
221.04959	0.5
229.11777	3.0
229.15466	100.0
230.05518	1.0
230.11519	0.6
230.15802	2.1
237.02650	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
56.96564	1.5
57.03437	0.6
57.45061	0.4
58.06596	8.3
59.07380	1.4
60.08162	8.7
62.38640	0.3
68.05032	1.5
69.03429	0.5
70.06587	47.6
70.14126	1.8
70.40073	0.3
71.06880	0.5
72.08155	0.5
73.02914	0.6
84.96009	0.3
85.02885	0.7
96.08133	2.1
98.06029	1.0
98.29572	0.3
98.61713	0.3
98.97582	1.2
108.63038	0.3
114.05518	5.1
114.09132	2.2
116.07079	1.0
116.98588	0.7
119.01893	1.4
124.07590	4.3
126.09148	0.8
134.99641	0.9
137.02937	0.6
142.08624	39.8
143.08957	0.7
170.08104	1.5
187.00728	0.4
187.04604	0.4
229.15457	100.0
230.15782	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	231.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.9
56.96562	7.7
57.03432	0.7
58.99871	2.6
61.02925	2.5
63.32563	0.7
65.03935	0.7
68.98282	1.4
69.03432	1.9
69.59323	5.6
70.06590	4.3
71.05008	1.3
72.10834	0.6
77.00914	2.6
81.03413	1.1
82.99860	1.5
83.04950	0.7
84.96016	1.0
85.01401	1.6
85.02413	0.6
85.02917	2.5
85.06541	0.8
86.99325	1.5
88.03993	1.6
89.00877	0.9
91.02472	1.0
91.05470	1.2
95.01951	0.9
97.02899	2.2
98.97579	3.0
101.00876	15.2
103.00602	0.7
103.02449	20.6
105.00362	3.4
107.74873	0.6
109.03519	1.2
112.07645	0.8
113.00844	1.7
114.06649	0.7
115.02425	1.5
116.07111	3.4
116.98631	4.9
117.03992	7.7
118.03537	0.8
119.01919	94.3
120.02005	2.2
121.01685	4.3
121.03484	18.7
123.01294	0.9
126.04022	1.0
126.09148	0.9
127.02408	1.6
127.03902	1.1
128.98634	2.0
129.00336	1.9
131.01913	7.1
133.03473	8.6
134.02167	0.7
134.99669	3.0
135.03304	1.1
135.05043	9.6
137.02959	42.4
138.03047	1.3
139.02605	1.3
142.03494	2.7
143.00151	2.4
143.01909	4.0
144.05096	1.0
145.03462	45.6
146.03587	1.2
146.67575	0.7
146.99652	3.1
147.01379	23.7
149.02979	2.6
151.04518	2.2
153.01833	0.9
155.01917	1.8
157.03491	5.2
157.07579	0.9
158.99698	0.9
159.01376	1.3
159.03267	1.1
159.05043	1.5
161.01251	4.9
161.02968	29.9
163.04524	35.1
165.00822	1.0
165.02448	14.3
167.04024	0.8
168.05016	2.3
170.02989	0.9
170.99806	1.5
171.01373	15.3
171.04906	0.6
173.02959	7.2
175.04494	1.3
175.07692	0.7
179.02448	1.5
179.04024	7.4
183.03534	4.0
184.04591	1.9
185.02954	5.5
185.06709	2.2
185.54088	0.8
186.06175	1.4
187.04541	4.1
189.02444	100.0
190.02550	2.4
191.04010	2.5
196.06081	2.2
201.02457	2.4
203.02383	1.0
203.03993	5.2
203.07669	2.8
205.05544	1.5
207.03493	30.0
208.04643	4.0
212.04053	8.0
213.05775	0.9
217.01958	0.8
219.03473	3.8
221.05197	1.1
221.55162	0.8
226.05548	1.4
231.03500	20.2
231.06003	1.2
231.16013	1.5
248.99406	0.9
249.04651	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	231.035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03717	0.8
50.24006	0.8
53.53564	0.7
55.01864	1.3
56.70290	0.8
56.96567	6.1
58.99860	2.2
68.98279	1.3
69.03419	1.8
70.06595	4.0
77.00898	1.9
81.03425	1.0
82.99867	2.2
85.01406	2.4
85.02895	1.1
86.99361	1.3
88.03979	1.5
91.02464	1.5
98.97575	3.3
101.00872	12.5
103.02440	23.7
105.00372	2.4
109.03483	1.2
113.00913	0.9
116.07098	2.8
116.98602	3.3
117.03980	6.5
119.01913	87.1
120.02000	2.5
121.01668	3.3
121.03474	19.4
122.03502	0.8
123.01369	0.9
125.54632	0.8
127.02422	2.6
129.00357	1.3
131.01889	4.6
133.01701	0.9
133.03473	6.3
133.27547	0.8
134.99634	2.2
135.05048	10.1
135.88364	0.9
137.02946	36.5
138.03133	1.1
139.02734	1.2
142.03485	3.8
143.00142	2.8
143.01924	3.4
144.05074	1.1
145.03456	47.4
146.03569	0.9
146.99596	2.4
147.01375	22.7
149.02945	2.8
151.04503	2.9
155.01892	2.5
157.03455	3.9
157.07610	0.9
159.05193	1.1
161.01244	7.0
161.02963	22.7
161.04323	1.2
163.04517	34.7
165.02434	13.2
168.05121	2.0
171.01360	13.2
173.02942	5.7
177.02422	1.0
179.02419	1.6
179.03976	7.9
183.03517	5.4
185.02942	3.5
185.06512	1.4
187.04520	3.8
189.02438	100.0
190.02666	3.3
191.03996	1.4
196.06131	1.8
201.00681	1.0
203.02213	1.5
203.03967	2.9
203.07573	1.3
205.05527	2.3
207.01678	1.2
207.03485	29.2
208.04515	1.6
212.04027	5.7
213.04285	1.0
217.00015	0.9
219.03552	1.3
226.05624	1.1
230.05174	1.4
231.03476	17.7
231.06874	1.4
231.15988	1.7
232.11816	1.2
249.04590	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	227.1641
Annotation	Annuionone G
Peak:m/z	Relative Intensity
50.31551	3.3
50.73339	2.8
53.03934	7.0
55.01857	11.4
55.05510	50.0
56.47832	2.9
57.03424	7.1
57.07080	18.9
57.07307	3.4
57.43344	3.0
59.05005	5.3
65.03932	5.3
67.05177	4.6
67.05501	61.1
69.03423	45.9
69.07065	74.4
70.80553	10.0
71.04989	39.8
71.08605	4.6
73.02906	4.0
79.05489	62.6
81.03412	18.7
81.07059	78.0
83.04966	26.1
83.08624	28.4
85.06548	15.0
91.05473	45.7
93.07034	68.7
95.04974	16.0
95.08050	5.8
95.08604	72.1
95.64321	2.9
97.06505	19.3
97.10163	24.9
99.04441	7.0
99.08100	11.6
100.11218	17.4
103.05459	5.7
105.03395	3.7
105.07011	35.7
107.04958	10.7
107.07873	5.5
107.08591	100.0
109.06532	22.2
109.10152	52.1
111.08064	24.0
111.37595	3.7
113.05972	4.2
115.05319	4.0
115.07575	7.5
117.06995	15.0
119.08570	20.2
121.06510	33.2
121.10138	39.1
122.10458	4.8
123.04415	11.7
123.08058	13.3
123.11691	15.4
125.05994	5.2
125.09618	35.9
128.02573	5.8
128.06259	6.9
129.06975	14.1
129.09102	4.1
130.07797	4.0
131.04922	8.8
131.08563	23.6
133.10139	24.1
135.08051	25.9
135.11661	18.6
137.05994	13.1
137.09602	9.3
138.52817	3.4
139.07538	5.5
139.11176	5.5
140.04616	8.7
141.06947	6.0
142.07774	7.5
143.08560	24.6
143.10675	10.0
145.10078	20.2
147.11641	22.5
148.05298	3.9
149.05983	12.3
149.09607	16.7
149.13239	19.5
151.03949	3.5
151.11165	32.0
152.29863	3.1
153.09106	7.3
153.12784	3.5
155.07140	5.7
155.08563	5.0
156.09357	7.7
157.06563	4.3
157.10103	23.0
158.10899	5.3
159.11778	3.3
161.13237	4.4
163.11205	3.4
163.14775	21.9
165.07036	7.0
165.12727	13.6
167.07054	97.3
167.08542	8.2
171.11653	18.6
173.13263	27.3
177.05446	21.1
179.08659	3.5
179.14175	4.6
181.04950	8.5
181.08609	4.0
181.10107	5.8
183.11662	3.9
185.09651	7.7
185.13351	15.9
191.14284	33.9
191.17914	3.9
194.10927	4.4
197.13280	3.6
199.11108	3.9
199.14784	7.8
199.38004	3.5
209.08044	7.9
209.09770	5.0
209.13518	5.4
209.15175	18.8
212.08423	3.6
227.07056	7.1
227.08791	4.5
227.10680	12.1
227.14302	14.8
227.18039	35.1
236.00592	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	229.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42979	3.5
53.03938	16.5
55.01863	10.8
55.05513	35.3
56.96568	21.4
57.03432	45.3
57.07061	8.0
58.06581	7.8
60.08139	7.1
61.02914	5.4
67.05492	14.4
69.03426	100.0
69.07050	15.0
70.06572	14.5
70.87102	10.5
71.01347	9.0
71.05000	29.5
71.05344	5.6
73.02905	21.7
75.85804	4.0
78.09084	3.2
79.05470	11.3
81.03414	35.8
81.07043	15.0
83.04972	23.9
84.04486	4.7
85.02903	52.1
85.06544	28.2
85.71165	3.5
87.04449	5.4
91.05459	15.8
93.07018	9.2
95.04946	12.3
95.08606	4.6
97.02897	29.6
97.06501	13.3
98.06042	3.4
98.97575	6.2
99.04445	14.1
105.07032	5.6
105.24271	3.7
107.04936	5.0
107.57655	3.5
109.02837	14.3
109.06507	11.6
109.10159	6.3
111.04424	16.8
111.08002	3.8
117.07017	3.6
123.04415	5.3
124.07610	5.3
127.03920	49.6
129.05496	17.3
132.05701	3.6
134.99655	8.4
135.07997	4.4
141.06912	5.0
142.08646	9.3
145.04979	5.5
147.08087	6.5
149.01343	4.4
153.01831	4.5
158.31163	3.1
167.06982	5.6
174.04349	4.1
175.04713	14.9
179.03197	4.0
183.07698	4.9
187.04680	8.8
202.99521	3.5
204.05455	5.1
205.05763	9.3
229.04968	6.3
229.08588	7.8
229.10590	6.9
229.15483	28.9
229.23557	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	229.1433
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
53.03944	0.8
55.05507	10.3
57.03434	18.7
57.07063	1.4
59.04999	5.6
60.83157	0.5
65.03937	1.6
67.05502	100.0
68.05842	1.6
69.07068	1.3
69.39935	5.3
71.04971	3.1
73.57235	0.5
79.05475	1.9
81.07055	12.7
83.08600	6.6
85.06546	3.3
91.05473	6.0
93.07036	2.8
95.04996	0.9
95.08601	4.5
99.84789	0.5
107.08581	2.4
109.10152	77.4
110.10481	1.4
111.08080	3.3
117.07026	0.6
119.08578	5.6
127.11208	0.6
137.09598	3.6
155.10623	1.5
170.40001	0.5
173.11743	18.5
229.14275	15.0
229.16222	1.0
229.19458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03948	3.5
55.01859	3.4
55.05502	17.0
56.21607	1.6
56.96560	2.0
57.03424	6.0
57.07068	5.4
58.72145	1.8
59.04992	3.9
66.68872	2.0
67.05487	11.1
67.61122	1.5
69.03410	8.0
69.07061	16.1
69.30022	20.2
69.48660	1.9
70.06552	2.1
71.04988	34.2
72.05344	1.7
73.02916	3.0
75.04476	4.3
78.04700	3.7
79.05482	12.1
81.03391	4.2
81.07050	19.3
83.04967	9.1
83.08193	1.7
83.08616	10.7
84.08130	2.1
85.06544	12.2
87.76751	1.7
89.03931	2.8
91.05462	9.9
93.07040	24.2
95.04966	100.0
95.08591	19.3
97.02885	2.3
97.06525	16.9
97.10155	8.4
97.31239	1.6
98.21593	2.1
99.04450	57.9
99.08085	24.2
100.11244	15.5
103.05445	4.6
104.03992	1.6
105.07020	12.4
107.04957	2.5
107.08585	26.0
109.02845	2.8
109.06487	17.3
109.10143	14.7
111.08069	7.0
113.09612	3.9
115.07545	5.4
116.98612	2.2
117.03387	4.6
119.08561	7.7
121.06480	7.7
121.10152	23.0
123.04429	5.2
123.08047	6.2
123.11690	9.4
125.05999	3.0
125.09642	14.7
126.13724	1.8
127.07528	10.5
131.04922	4.1
131.08575	6.2
133.10120	33.0
135.08046	7.9
135.11664	5.6
137.05971	5.1
137.09557	2.1
139.11134	12.9
140.04688	3.5
141.11337	2.0
143.08537	4.2
143.10675	2.2
145.02844	5.1
145.10147	4.5
147.11693	4.8
149.05936	10.5
149.09560	3.2
149.13283	12.5
151.11145	6.2
152.04671	3.2
153.09097	26.5
157.10141	2.8
159.04303	2.5
163.14865	3.5
165.12817	2.9
167.07042	53.9
167.08357	2.3
167.10779	2.4
169.12288	3.1
171.07991	2.3
171.10178	7.0
171.11548	3.4
173.13252	17.7
177.05452	15.7
181.04973	5.9
183.13750	4.5
191.14319	13.3
197.04477	2.9
209.08083	5.1
209.11488	2.0
209.15253	18.3
221.25905	2.1
227.07079	4.3
227.10793	3.8
227.14355	4.0
227.16174	18.0
237.02815	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	227.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01865	1.0
55.05509	43.1
56.05851	1.1
57.03440	0.6
57.07079	3.6
59.04992	0.7
67.05505	4.2
67.17101	0.5
68.61134	0.6
69.03431	3.1
69.07082	3.7
69.51608	4.5
70.06588	0.9
71.04993	5.6
78.04686	0.6
79.05502	3.4
81.03413	1.2
81.07042	4.9
82.06577	16.5
83.04980	10.9
83.06931	1.0
83.08614	23.4
84.08121	0.8
84.08969	0.8
85.06528	1.9
91.05486	2.4
91.58115	9.0
92.08245	0.8
93.07048	4.4
95.04958	2.3
95.08605	4.1
96.08170	0.5
97.06538	1.3
97.10168	1.6
98.09715	3.7
99.04466	7.0
99.08093	1.1
100.07626	4.6
100.09445	13.0
100.11253	100.0
100.59630	1.0
101.11591	4.6
103.05492	0.8
105.07027	2.5
107.04960	1.0
107.08588	7.4
109.06494	1.8
109.10122	3.2
110.06030	11.8
111.04442	8.6
111.08082	1.7
112.04783	0.5
112.07610	1.8
114.09161	4.3
115.07579	1.2
115.80409	0.6
117.07024	0.6
117.13873	6.5
119.08602	1.2
121.06527	1.1
121.10136	2.7
123.08100	1.1
123.11707	2.0
125.09633	1.8
126.09145	3.1
128.07068	6.7
129.05481	0.9
131.08592	0.9
132.10966	0.7
133.10126	2.0
133.11754	1.0
134.10716	0.9
135.08055	1.4
135.11688	1.2
139.08669	0.9
140.07057	1.1
140.10701	1.5
141.11478	22.4
141.12587	1.1
141.61678	3.9
143.10765	0.7
143.11807	1.7
147.11748	1.2
149.06020	0.7
149.09566	1.4
149.13304	1.1
151.11208	1.5
154.12259	7.9
155.11224	3.8
155.12459	1.1
155.61388	0.8
156.19637	0.6
163.14828	0.9
163.64388	7.3
164.14539	1.8
166.15898	1.7
167.07036	2.8
167.10727	0.5
168.13834	0.8
169.12323	0.9
172.15720	4.6
172.65906	0.8
173.13272	2.1
177.05470	0.7
182.15401	25.4
183.15765	2.8
183.18640	0.6
191.14345	1.8
199.18045	14.9
199.19794	1.1
200.18359	1.6
204.66508	1.0
209.08092	0.9
209.16612	7.3
210.14888	8.9
210.16702	0.9
211.15271	0.8
213.17781	24.7
213.19809	1.2
213.67940	6.1
225.16034	3.4
226.19136	1.5
227.17833	4.6
244.20200	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	227.1639
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03942	4.9
55.01870	4.7
55.05507	30.0
57.02721	1.3
57.03430	6.7
57.07078	8.6
59.04993	5.2
61.02896	3.5
65.03933	3.1
67.05501	37.4
69.03428	38.6
69.07066	44.1
70.93461	3.0
71.04990	38.2
77.03921	1.5
79.05490	56.3
81.03415	12.4
81.07053	63.7
82.70985	1.4
83.04977	26.2
83.08620	20.8
85.06513	6.4
87.04454	2.0
91.05473	25.2
93.07043	52.8
93.07635	2.9
95.04964	15.8
95.08601	54.1
97.06526	12.4
97.10170	19.2
99.04455	9.7
99.08092	6.8
100.04799	1.4
100.11260	1.9
103.05451	2.1
105.07027	31.1
106.07385	1.7
107.04960	7.8
107.08591	100.0
108.08919	1.9
109.06526	21.2
109.10151	41.0
111.08078	21.3
113.09687	1.3
115.05470	2.3
115.07552	8.9
117.07030	5.0
119.08570	12.9
121.06512	19.0
121.09319	2.9
121.10143	37.0
123.08072	11.4
123.11723	15.3
124.05229	1.5
125.05964	2.4
125.09619	25.9
129.09102	5.6
131.04970	1.8
131.08566	14.1
133.10124	16.5
135.08051	30.0
135.11670	9.5
137.09598	12.1
137.13254	1.5
139.07588	2.7
143.08557	3.6
143.10666	5.8
145.10138	6.5
147.11665	16.1
148.82126	1.4
149.06026	2.5
149.09627	15.7
149.13245	17.9
151.11168	25.8
153.09132	8.1
158.10851	2.5
160.70712	1.5
161.13245	2.6
163.11189	3.1
163.14819	21.8
165.12746	13.2
167.07051	19.1
167.10677	1.8
169.12202	1.6
173.13257	23.9
177.05446	6.0
179.14377	1.7
191.14305	30.3
209.08049	2.0
209.15378	13.8
227.16344	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	227.0913
Annotation	CHEBI:70419
Peak:m/z	Relative Intensity
53.03946	1.8
55.01896	0.8
55.05547	1.1
57.03475	0.6
57.07088	0.5
57.54753	0.4
59.68724	0.3
65.03971	1.1
66.04748	0.7
66.76521	0.3
67.01901	1.6
67.05540	1.5
68.99796	0.6
69.03464	1.2
69.07101	0.5
70.24244	1.7
71.05026	0.8
75.04504	0.6
78.04768	0.6
79.05489	5.0
80.03618	0.3
81.03424	2.2
81.07045	2.9
83.01318	2.6
83.04961	1.7
83.08648	0.5
85.02898	0.4
85.06566	0.5
91.05479	2.5
93.07082	1.3
94.04224	1.2
95.04964	4.1
95.08630	0.4
96.02126	0.4
96.05775	0.6
97.02933	0.5
97.06545	0.7
98.03684	0.5
99.04487	1.2
100.11304	1.1
105.03407	0.4
105.04497	0.5
106.04228	0.4
107.04968	2.7
107.08627	0.8
109.02908	1.4
109.06516	3.4
111.04479	2.1
111.08089	0.8
113.02365	0.5
113.05991	4.1
121.02907	0.6
121.06532	1.1
121.10147	0.6
122.03698	1.1
123.04434	3.1
123.08084	0.6
124.05210	2.1
125.02300	0.5
125.06024	1.0
125.09512	0.4
126.03168	1.1
133.02786	0.4
133.10178	0.6
135.04456	1.0
135.65634	0.4
136.05260	0.9
137.02327	1.5
137.05983	3.0
138.06795	1.1
139.03905	5.8
139.07547	4.1
140.04671	0.6
141.05458	7.4
143.08624	0.4
147.08122	0.6
148.05191	0.6
149.06029	0.5
151.03903	7.5
151.07535	0.9
152.04672	3.3
153.05463	3.4
154.02606	2.5
154.06238	1.0
155.06989	0.7
163.03920	0.5
163.07410	0.5
165.01900	0.9
165.05478	1.2
166.06264	1.1
166.07683	0.5
167.03391	7.2
167.07054	7.5
168.04126	0.5
168.07809	1.5
169.04964	30.4
177.05502	0.6
178.09846	1.0
179.03395	1.5
181.04938	2.3
181.08607	3.3
182.02127	1.3
182.05742	7.4
183.02896	0.8
183.06479	1.2
184.07344	3.7
186.17827	0.4
188.33105	0.3
194.09427	0.5
195.06493	1.0
195.61739	0.4
197.04446	100.0
198.04855	1.8
199.09689	0.8
209.11725	1.0
209.15218	0.4
212.06790	65.0
213.07140	1.2
227.09105	24.7
228.09407	0.6
239.35654	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0914
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03929	1.8
55.01857	2.0
55.05504	7.6
56.96560	10.1
57.03430	1.7
57.07062	0.8
64.67265	0.8
65.03916	0.9
67.05487	1.9
68.70387	0.6
69.03417	3.2
69.07062	4.0
71.04994	0.9
71.36289	1.0
71.36621	0.8
73.02905	2.1
73.06527	1.9
74.27150	0.7
74.97594	0.9
78.04704	4.8
79.05485	4.2
81.03388	3.7
81.07043	1.8
83.04955	1.8
83.08598	2.5
84.04491	1.6
85.02900	2.6
89.03887	1.7
90.87427	0.7
91.05478	9.0
93.07039	4.4
95.04948	5.2
95.08614	1.1
97.02888	3.1
97.10151	2.1
98.97562	3.1
99.04430	1.7
100.11234	0.9
103.05461	6.4
105.03419	1.7
105.07022	0.8
105.81361	0.8
106.04157	2.7
107.04976	5.4
107.08588	1.0
109.02866	2.6
109.06498	2.3
109.10207	0.8
112.07643	0.8
116.98620	2.7
118.02905	0.8
119.01904	1.9
119.04954	1.4
121.05679	0.8
121.06510	12.7
122.03622	1.6
123.04421	11.5
124.05212	3.9
125.02365	1.0
125.06036	1.0
127.03915	1.0
128.06210	0.7
131.00111	0.8
131.01830	0.8
131.04924	7.0
133.02814	1.6
134.03612	2.8
134.99670	2.5
135.04379	1.9
137.05974	9.7
140.04665	3.3
146.99651	1.5
147.04350	1.7
148.05148	2.0
149.05988	15.7
149.14571	0.6
150.06425	0.9
151.03859	2.7
152.04648	2.2
152.07065	1.7
153.01831	1.0
153.05452	1.5
155.04648	6.7
155.07030	1.0
155.54826	1.3
156.03334	6.1
156.04570	1.2
158.99644	1.1
159.04405	4.4
161.01212	1.5
163.03932	1.2
164.01472	0.7
164.05147	3.0
164.07028	0.7
165.05545	1.1
166.55380	1.1
167.07031	100.0
168.03189	0.9
168.07455	2.7
171.63463	0.8
174.04382	19.7
174.05797	1.4
176.04745	0.9
176.07643	1.1
177.00676	2.1
177.05473	23.2
178.06099	1.1
180.07816	1.0
181.08557	1.1
182.02773	0.8
186.04379	10.3
188.07607	1.0
191.07059	0.8
192.05453	7.6
204.05450	19.4
209.06181	1.5
209.07968	4.5
222.06485	1.3
227.06886	3.3
227.08957	0.9
227.10225	0.9
227.92125	0.7
228.05107	3.2
229.00124	1.1
237.02736	0.8
246.06523	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1848
Annotation	(E,E)-12-Hydroxy-6,10-dimethyl-6,10-dodecadien-2-one
Peak:m/z	Relative Intensity
53.03933	4.3
55.01625	1.1
55.01867	3.2
55.05509	28.8
57.03427	2.7
57.07074	11.1
65.03928	3.0
67.05503	38.7
68.99789	1.2
69.03410	4.8
69.06727	1.8
69.07067	24.5
70.03699	5.4
71.04992	10.3
71.08617	4.9
79.05483	14.5
81.03419	2.2
81.07056	61.0
83.04971	4.2
83.08618	26.1
85.02899	3.4
85.06534	8.3
85.10172	2.6
87.04466	1.6
91.05479	11.0
93.03390	1.0
93.07039	12.2
95.04981	6.7
95.08604	100.0
96.08941	1.2
97.06513	4.7
97.10184	8.5
99.04452	4.8
99.08067	3.2
103.05495	1.4
105.03391	4.1
105.07030	9.4
107.04958	17.4
107.08593	13.1
109.02876	1.2
109.06516	8.6
109.10155	94.2
111.04440	1.8
111.08074	4.2
113.05924	1.3
113.09633	2.2
116.98629	1.0
119.04978	3.0
119.08566	21.8
120.05608	6.1
121.02843	3.8
121.06470	2.0
121.10149	10.5
122.03642	1.2
123.04440	3.2
123.08061	5.5
123.11709	49.2
124.05251	1.1
125.05984	1.4
125.09641	8.1
127.07505	2.0
127.11122	1.3
127.95361	1.0
131.08566	1.7
133.02849	3.2
133.09402	0.9
133.10152	8.1
135.04431	3.0
135.11693	10.4
136.05247	1.1
137.05974	7.1
137.09608	3.7
137.13254	22.5
138.13602	1.3
139.11163	4.2
141.06937	1.4
141.09077	2.6
143.08554	1.2
147.04417	1.9
147.11697	4.9
149.09589	1.8
149.13258	5.5
151.03914	1.7
151.07506	1.4
151.11163	3.6
151.14847	1.7
153.05409	1.1
154.07707	1.5
155.08560	3.4
155.10666	2.9
161.13231	3.6
163.03908	5.8
163.11159	1.1
163.14798	2.0
165.01793	5.2
165.05498	4.8
165.06999	3.3
165.12776	1.3
167.03375	1.4
167.07047	20.7
167.08429	2.4
167.10678	1.5
168.09326	1.4
169.10136	4.8
178.07755	1.3
179.03435	1.3
179.07100	1.6
179.08450	2.1
179.17941	47.2
180.04167	17.4
181.04901	2.4
181.08673	1.3
181.10172	2.0
182.05823	2.3
182.07225	1.5
183.06602	2.8
183.08092	1.3
183.11653	4.5
189.12691	1.8
189.16380	26.7
193.04932	5.3
193.06461	1.3
195.06551	2.9
195.11632	1.9
195.25914	1.2
197.06194	1.1
197.07956	1.3
197.09680	2.0
197.13243	1.6
207.06517	2.6
207.11812	1.9
207.13802	3.9
207.17438	32.0
210.06819	2.5
210.10374	2.5
210.14035	1.7
221.51700	1.1
225.07538	1.8
225.09145	7.3
225.12740	3.5
225.14548	1.8
225.16420	6.8
225.18506	12.7
225.22159	2.1
226.09756	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	226.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13457	0.3
55.01865	0.3
56.96531	0.3
57.58103	0.3
59.47389	0.3
60.04500	0.3
65.03937	1.7
67.05458	0.4
68.05042	0.4
69.03423	0.4
70.07478	1.4
71.04984	0.4
79.01842	0.7
81.03426	0.4
81.07088	0.4
82.06564	0.7
83.04967	0.3
84.04495	1.0
85.63628	0.3
86.73026	0.3
92.04986	1.1
93.03413	2.0
95.01341	0.3
95.04954	0.9
96.04466	0.9
97.02884	0.9
105.03369	0.7
107.01319	1.1
108.04483	0.4
110.06052	1.9
111.04441	0.7
120.04470	3.2
121.02860	3.0
121.06507	0.4
121.53437	0.3
122.05987	0.4
123.04453	1.4
124.03915	0.5
125.02325	1.7
126.03108	1.8
127.03891	0.8
133.02863	2.4
133.06404	0.4
137.06125	0.3
138.05496	6.2
139.03865	0.9
146.99608	0.4
148.03937	8.7
149.02364	1.7
150.05484	0.3
151.03886	1.2
152.03430	1.7
153.01834	4.3
155.03384	0.8
166.02783	0.4
166.04999	7.9
167.03395	1.3
167.05757	0.6
167.07045	0.7
171.02835	1.3
176.03423	1.6
177.01846	8.1
180.06540	0.6
181.04868	0.4
183.02921	0.8
184.06122	0.6
184.53156	0.3
185.04457	1.3
194.04491	100.0
195.03096	0.4
195.04826	1.5
208.06155	0.3
209.04437	2.9
212.05582	1.6
226.03627	0.6
226.07109	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	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
51.48808	2.0
55.05502	10.3
57.07074	2.1
63.09512	1.8
63.13089	1.9
65.03954	2.0
67.05508	10.8
68.99804	2.5
69.03433	16.3
69.07066	6.0
70.88865	2.5
70.89211	5.2
71.04992	48.4
71.56048	2.1
79.05505	11.5
81.03400	2.8
81.07060	18.6
83.04986	6.2
83.08625	6.6
85.02888	3.2
85.06559	2.8
91.05488	12.4
93.07043	13.0
95.04977	8.0
95.08606	15.2
97.06543	6.4
99.04454	100.0
105.07021	16.0
107.04939	4.9
107.08597	36.5
109.06526	26.4
109.10166	6.8
111.08107	5.4
113.09637	5.7
117.07044	2.2
119.08569	12.8
121.06503	3.6
121.10140	22.8
123.04433	5.4
123.08067	19.6
123.11676	15.1
125.09628	7.8
131.08591	2.3
133.10103	11.5
135.08041	3.6
137.09587	11.2
139.11185	15.7
145.10141	2.3
147.08026	3.2
147.11664	9.9
149.09610	11.5
151.07436	3.8
151.11188	6.4
159.11699	2.3
161.13287	8.0
163.11223	8.8
165.05550	2.8
165.06964	2.4
165.09038	2.4
165.12755	11.6
166.88490	2.5
167.07034	2.8
167.10678	14.5
171.11665	2.7
174.10519	2.7
177.12804	2.5
178.07945	2.1
180.04185	4.5
183.13820	24.0
184.41968	2.0
189.12746	9.5
193.04889	3.4
195.08109	2.1
207.13852	15.1
225.02162	2.9
225.09166	3.6
225.14832	15.2
225.16499	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
55.01625	1.1
55.01867	3.2
55.05509	28.8
57.03427	2.7
57.07074	11.1
65.03928	3.0
67.05503	38.7
68.99789	1.2
69.03410	4.8
69.06727	1.8
69.07067	24.5
70.03699	5.4
71.04992	10.3
71.08617	4.9
79.05483	14.5
81.03419	2.2
81.07056	61.0
83.04971	4.2
83.08618	26.1
85.02899	3.4
85.06534	8.3
85.10172	2.6
87.04466	1.6
91.05479	11.0
93.03390	1.0
93.07039	12.2
95.04981	6.7
95.08604	100.0
96.08941	1.2
97.06513	4.7
97.10184	8.5
99.04452	4.8
99.08067	3.2
103.05495	1.4
105.03391	4.1
105.07030	9.4
107.04958	17.4
107.08593	13.1
109.02876	1.2
109.06516	8.6
109.10155	94.2
111.04440	1.8
111.08074	4.2
113.05924	1.3
113.09633	2.2
116.98629	1.0
119.04978	3.0
119.08566	21.8
120.05608	6.1
121.02843	3.8
121.06470	2.0
121.10149	10.5
122.03642	1.2
123.04440	3.2
123.08061	5.5
123.11709	49.2
124.05251	1.1
125.05984	1.4
125.09641	8.1
127.07505	2.0
127.11122	1.3
127.95361	1.0
131.08566	1.7
133.02849	3.2
133.09402	0.9
133.10152	8.1
135.04431	3.0
135.11693	10.4
136.05247	1.1
137.05974	7.1
137.09608	3.7
137.13254	22.5
138.13602	1.3
139.11163	4.2
141.06937	1.4
141.09077	2.6
143.08554	1.2
147.04417	1.9
147.11697	4.9
149.09589	1.8
149.13258	5.5
151.03914	1.7
151.07506	1.4
151.11163	3.6
151.14847	1.7
153.05409	1.1
154.07707	1.5
155.08560	3.4
155.10666	2.9
161.13231	3.6
163.03908	5.8
163.11159	1.1
163.14798	2.0
165.01793	5.2
165.05498	4.8
165.06999	3.3
165.12776	1.3
167.03375	1.4
167.07047	20.7
167.08429	2.4
167.10678	1.5
168.09326	1.4
169.10136	4.8
178.07755	1.3
179.03435	1.3
179.07100	1.6
179.08450	2.1
179.17941	47.2
180.04167	17.4
181.04901	2.4
181.08673	1.3
181.10172	2.0
182.05823	2.3
182.07225	1.5
183.06602	2.8
183.08092	1.3
183.11653	4.5
189.12691	1.8
189.16380	26.7
193.04932	5.3
193.06461	1.3
195.06551	2.9
195.11632	1.9
195.25914	1.2
197.06194	1.1
197.07956	1.3
197.09680	2.0
197.13243	1.6
207.06517	2.6
207.11812	1.9
207.13802	3.9
207.17438	32.0
210.06819	2.5
210.10374	2.5
210.14035	1.7
221.51700	1.1
225.07538	1.8
225.09145	7.3
225.12740	3.5
225.14548	1.8
225.16420	6.8
225.18506	12.7
225.22159	2.1
226.09756	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	225.1483
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.05514	3.0
67.05496	6.4
67.76759	2.0
70.52498	7.8
71.04989	2.3
72.60598	2.0
79.05476	3.5
81.07059	21.5
85.02905	100.0
88.66312	2.2
89.38404	2.7
91.05483	3.5
93.07034	3.0
95.04998	2.9
95.08606	5.4
95.60185	2.2
99.04415	3.7
105.07030	5.2
107.08608	6.9
109.10167	9.5
119.08614	5.2
121.10149	10.7
123.08115	3.2
123.11706	56.3
125.05978	8.6
125.09599	2.8
147.08020	2.7
149.09648	8.7
161.13190	3.6
167.10684	5.1
174.09544	2.3
189.12762	5.2
207.13756	13.6
225.14873	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	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03946	13.5
54.45594	7.5
55.01869	14.1
55.05504	35.0
57.03448	13.1
57.07075	16.1
61.02930	57.1
67.05499	59.1
69.03429	51.6
69.07062	41.5
70.06570	10.0
71.01885	22.1
71.05003	57.7
71.08640	9.8
76.21221	7.1
79.05491	55.3
81.03421	19.0
81.07059	100.0
83.04983	57.4
83.08630	16.9
85.02903	80.0
85.06535	21.1
87.04470	13.3
91.05465	69.8
93.07038	69.7
95.04977	54.4
95.08607	75.3
97.02882	14.9
97.06528	28.9
99.04462	70.1
99.08139	8.8
105.03404	34.0
105.07020	90.4
105.19260	7.8
107.04971	51.7
107.08601	91.0
109.06522	93.7
109.10174	63.1
111.04451	18.4
111.08085	19.3
115.07571	9.2
117.07017	12.7
119.04963	11.0
119.08587	88.7
120.05614	18.8
121.06529	28.6
121.10149	73.3
123.04466	9.1
123.08069	83.2
123.11720	60.8
125.05995	33.3
125.09628	10.9
128.06210	7.5
129.06950	10.5
129.09241	8.5
129.98505	7.2
131.08603	9.4
133.02913	18.1
133.06516	15.0
133.10143	35.2
135.04395	9.1
135.08081	18.8
135.11652	10.7
137.06012	29.2
137.09584	55.6
139.11151	9.6
141.09149	8.7
143.08617	12.2
145.10114	23.0
147.04414	20.9
147.08112	21.4
147.11700	74.2
149.09633	66.5
151.03946	19.2
151.07556	41.5
151.11249	46.9
153.01831	30.5
153.05502	9.2
153.07010	8.3
153.09152	7.1
154.02109	8.0
155.08479	10.1
159.11699	10.3
161.09630	18.7
161.13277	32.5
163.11165	27.2
165.05487	16.2
165.07010	10.6
165.09091	17.4
165.12785	57.7
167.07097	21.4
167.10645	13.3
169.10101	8.8
171.11746	8.3
174.10385	13.4
177.12776	16.3
179.07051	9.7
179.14334	8.7
180.04150	27.7
182.07329	8.4
183.06639	25.7
183.13828	18.9
189.09061	9.2
189.12799	39.7
193.04990	28.7
197.08076	9.1
207.06520	20.7
207.13820	87.3
210.10381	8.2
225.04048	14.3
225.07350	11.6
225.09207	27.1
225.14807	97.3
225.16591	9.4
226.09790	26.1
227.02217	12.2
227.04211	14.3
241.79028	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	225.1483
Annotation	Annuionone A
Peak:m/z	Relative Intensity
55.01868	2.5
55.05510	11.8
56.96564	2.2
57.03445	3.1
57.07063	4.1
59.04991	2.8
61.02911	1.6
67.05509	9.2
69.03414	7.2
69.07060	7.7
70.71172	4.7
71.04989	48.5
79.05489	14.1
81.07052	18.8
83.04981	5.8
83.08630	8.8
85.02902	5.6
85.06538	4.2
91.05477	10.8
93.07045	11.1
93.21279	1.6
95.04948	10.0
95.08590	16.9
95.49126	1.4
97.02894	1.4
97.06544	5.7
97.10136	2.0
98.97585	4.4
99.04449	100.0
103.05466	1.9
105.03417	4.6
105.04528	1.7
105.07018	18.8
107.04961	6.7
107.08589	43.0
109.06511	28.0
109.10126	10.8
111.08098	4.8
113.09644	5.1
116.98615	4.3
119.04969	1.8
119.08582	12.7
121.06528	4.3
121.10136	18.2
123.04396	1.9
123.08070	19.8
123.11705	17.0
125.05974	2.9
125.09608	11.0
131.08589	4.2
131.80620	1.9
133.06500	3.4
133.10118	5.3
134.99669	2.2
135.08061	3.9
135.11681	7.0
137.05960	6.1
137.09605	11.4
139.11191	5.3
141.12747	1.7
145.10118	4.0
147.11687	8.0
149.09633	16.9
151.03825	1.7
151.07544	5.5
151.11182	2.5
153.05449	1.9
154.07788	2.6
155.07018	1.5
155.08656	2.3
158.99661	2.1
161.13179	2.4
163.11226	8.7
165.05594	2.3
165.06999	3.9
165.09097	21.3
165.12738	14.1
167.07048	5.7
167.08406	1.7
167.10681	21.3
169.10117	4.0
177.00711	2.9
179.03487	2.1
179.14392	3.0
180.04158	3.8
181.10046	1.7
181.10648	1.6
181.12219	15.6
182.07304	2.1
182.10913	2.7
183.06529	14.8
183.11716	4.6
183.13815	23.6
189.12796	5.5
193.04887	2.3
195.06451	2.1
195.08133	2.1
195.11714	2.0
197.09669	1.7
197.13275	2.9
207.06534	1.8
207.13766	9.6
225.09050	4.7
225.12755	3.2
225.14738	27.7
225.18384	2.3
226.09901	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
50.30767	4.1
53.03934	5.6
55.01855	11.9
55.05519	20.4
57.03423	17.5
57.07068	5.8
59.04975	4.4
65.03951	4.5
67.05498	38.2
69.03425	22.6
69.07069	23.3
71.05000	24.8
71.57061	3.9
71.57478	6.9
79.05489	30.6
80.05509	4.1
81.03397	9.4
81.07056	30.4
83.04973	22.1
83.08597	11.7
85.02902	38.3
85.06528	16.8
85.29243	4.0
85.92804	4.0
91.05469	22.7
93.07040	29.0
94.01351	4.2
95.01344	6.5
95.04985	28.4
95.08611	100.0
97.02886	23.7
97.06511	9.0
97.10191	5.8
99.04446	48.3
99.08090	4.6
105.03368	10.2
105.07038	38.8
107.04942	23.5
107.08591	53.0
109.06529	31.1
109.10146	18.7
111.04436	4.2
111.08070	8.0
113.06000	10.1
117.07029	4.2
119.04945	9.8
119.08570	41.8
121.06487	5.3
121.10134	25.7
123.04386	7.9
123.08075	43.9
123.11697	31.5
125.05993	15.7
125.09592	5.6
131.08598	5.8
133.06429	12.2
133.10088	14.4
135.04405	10.3
135.08026	13.3
135.11703	21.5
137.05983	13.7
137.09595	14.3
139.07513	7.9
139.11147	4.3
141.09082	5.1
143.08478	5.1
145.10124	11.9
147.04419	6.8
147.08014	7.0
147.11674	36.0
149.09589	22.9
151.03886	4.9
151.07579	18.0
151.11195	4.5
153.05539	4.0
156.09338	8.4
161.09605	4.7
161.13281	36.6
163.03879	7.5
163.11156	47.9
165.01913	4.4
165.05473	11.4
165.09167	5.7
165.12743	10.5
167.07132	7.9
167.10658	13.2
169.10127	4.7
171.11688	13.5
174.10416	5.0
179.07048	5.0
179.08516	5.8
179.14299	8.9
180.04216	17.0
181.12180	5.4
183.06502	7.9
183.13824	7.7
189.12749	71.0
193.04988	13.7
207.06511	9.0
207.13786	49.0
225.07484	7.2
225.12927	6.6
225.14838	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	225.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53186	0.9
53.03941	2.3
54.27192	0.9
55.01881	1.9
55.05516	6.4
56.96561	2.5
59.05011	1.2
67.05508	4.2
69.03428	4.0
69.07085	2.6
70.63506	3.1
70.63897	2.2
71.04987	40.0
79.05488	8.0
81.03407	2.0
81.07053	12.2
83.04990	2.6
83.08614	5.4
85.02902	2.4
85.06521	1.5
88.74699	0.9
91.05470	6.9
93.07037	4.2
95.04969	4.7
95.08598	10.7
97.05972	1.0
97.06541	3.3
98.97591	5.8
99.04449	100.0
105.03394	3.4
105.07022	7.4
107.04954	3.8
107.08589	37.7
109.06510	22.1
109.10175	3.8
111.08084	1.4
113.09650	4.8
116.98609	5.7
117.07018	1.2
119.08604	4.3
121.10129	11.5
123.04427	1.8
123.08062	13.3
123.11700	12.8
125.09634	7.2
131.08603	2.1
133.02779	1.1
133.10141	2.4
134.99681	4.7
135.08049	2.0
137.05959	2.8
137.09676	2.3
139.11174	4.1
140.04700	1.2
141.12720	2.5
146.99605	1.5
147.11676	8.1
149.09598	11.3
151.03969	1.1
151.07550	1.3
151.11174	1.3
155.06883	1.1
155.08490	1.5
158.99661	1.5
161.13310	2.1
163.11137	2.0
165.05518	2.2
165.06889	1.6
165.09132	1.6
165.12735	8.4
167.07053	2.4
167.10680	22.5
169.10075	2.1
177.00754	3.4
179.03380	1.2
180.04141	1.4
182.07161	1.7
183.06509	7.1
183.12032	2.0
183.13803	24.4
189.12802	1.7
191.14317	3.0
197.13271	1.5
207.06499	1.5
207.13811	2.7
210.06989	1.5
210.10500	1.3
225.09126	2.6
225.12758	2.6
225.14880	7.6
226.09804	1.2
227.03868	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Methyl epijasmonate
Peak:m/z	Relative Intensity
53.03947	33.4
55.01878	4.4
55.05515	8.6
57.03436	28.8
57.07058	3.7
59.05017	1.1
61.40610	0.8
65.03931	2.6
67.05505	71.6
69.03409	3.8
69.07069	46.6
69.33170	9.1
71.04992	6.1
71.08628	1.1
73.02900	1.2
73.41158	0.8
79.05061	1.4
79.05489	20.1
81.03417	98.7
81.07056	93.7
83.04985	20.8
83.08607	2.0
85.06525	2.0
85.30680	0.9
91.05476	9.1
93.07049	10.3
95.04967	49.4
95.08594	6.9
97.06527	1.4
97.10139	1.0
99.04439	3.7
101.09596	1.1
105.03381	2.4
105.07023	10.8
107.08613	7.8
109.06509	10.9
109.10155	13.4
110.10487	1.0
113.05967	1.0
119.08542	0.9
123.08067	1.7
123.11710	22.2
131.08577	1.4
133.10130	13.3
147.02271	1.0
151.11180	29.5
155.07027	3.3
169.12225	3.7
183.00560	0.9
206.74924	0.8
225.14845	100.0
226.09657	1.1
226.15152	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.05505	5.2
62.35696	1.1
67.05489	4.4
69.03421	4.6
69.07068	1.8
70.58258	3.6
71.04993	43.8
79.05482	6.6
80.79785	1.2
81.03403	2.5
81.07058	9.4
83.04958	2.6
83.08619	5.8
85.02893	2.8
85.06587	1.5
88.69846	1.5
91.05453	4.6
93.07039	4.5
95.04955	3.6
95.08598	7.7
97.02897	1.4
97.06523	2.9
99.04453	100.0
105.07019	5.1
107.04940	2.3
107.08597	31.7
109.06522	24.9
109.10145	1.6
110.42838	1.2
113.09628	6.9
114.50792	1.2
119.08594	3.8
121.10143	14.3
123.08059	16.7
123.11701	14.9
125.09659	5.8
131.08598	1.4
137.05981	1.7
137.09610	2.2
137.13257	2.0
147.11649	6.5
149.09618	11.6
151.07565	2.7
154.02585	2.0
161.13327	1.3
163.03868	1.2
165.01808	2.9
165.12782	8.8
167.10680	17.4
179.14305	1.6
180.04149	2.9
182.70869	1.3
183.13797	25.4
189.12733	2.7
193.01317	1.9
193.61775	1.3
207.13838	3.5
209.04422	3.2
210.01601	6.0
225.03984	7.1
225.06589	6.1
225.09042	1.3
225.14815	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	225.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.05516	6.3
56.05013	1.3
57.03422	1.3
57.07077	1.7
57.50808	1.0
65.15396	0.8
67.05501	7.7
69.03434	3.7
69.07061	3.4
71.04993	42.7
79.05486	7.0
81.03420	2.0
81.07059	15.5
83.04983	3.1
83.08622	9.2
85.02901	20.8
85.06544	1.7
90.99123	0.9
91.05479	7.2
93.07031	4.6
95.04962	4.1
95.08602	10.7
97.06525	3.9
97.10181	1.4
99.04454	100.0
105.03403	2.3
105.07030	7.3
107.04955	4.7
107.08591	43.5
109.06522	22.0
109.10159	4.7
111.08070	1.1
113.09687	5.2
117.07027	1.3
119.08585	4.0
120.05550	1.2
121.10140	22.0
121.96680	0.9
122.10421	1.2
123.04430	2.4
123.08067	26.8
123.11699	19.6
125.06037	2.1
125.09641	9.6
128.00816	1.7
131.08572	3.0
133.10123	1.4
135.04398	1.7
137.05989	1.5
137.09627	2.6
139.11162	7.5
141.06999	3.9
141.12762	1.7
143.08586	1.3
147.04402	1.3
147.11690	6.0
149.09608	14.4
152.06209	1.1
153.07001	4.9
154.07782	2.6
155.08557	6.9
156.09326	1.5
163.03880	2.1
163.20465	1.0
165.01785	1.4
165.05655	1.6
165.07042	4.5
165.09155	0.9
165.12755	9.0
166.07651	1.8
167.07053	9.2
167.08562	5.1
167.10667	20.6
168.09334	1.8
169.10127	7.8
178.07840	2.2
179.08583	3.8
180.04199	5.7
181.05035	1.5
181.06512	4.4
181.10129	6.4
181.12007	0.8
182.07278	4.8
182.10909	4.0
183.08070	4.1
183.11769	4.3
183.13828	24.4
183.15332	1.6
189.12738	2.3
191.08719	1.5
192.09326	8.4
193.05049	2.2
195.06415	1.7
195.08054	20.5
195.11769	3.3
196.08795	4.3
196.86491	0.9
197.09636	8.2
197.13217	5.0
207.06499	1.0
207.11720	16.3
207.13771	3.1
208.17017	1.3
209.09625	2.9
210.06769	1.2
210.10373	18.1
210.13992	2.1
225.07439	1.3
225.09319	12.9
225.12766	45.0
225.14798	5.1
225.16498	5.5
226.09734	1.6
226.12984	1.8
226.18127	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03944	3.4
55.01868	7.7
55.05509	19.0
57.03437	5.5
57.07066	8.5
59.04986	14.5
65.03931	4.3
67.05503	23.7
69.03419	23.0
69.07077	21.3
70.92456	7.0
71.04994	24.8
79.05489	21.6
81.03410	7.0
81.07059	39.3
83.04984	27.7
83.08614	12.7
85.02915	10.5
85.06531	7.0
87.04465	9.2
91.05467	37.7
93.07044	52.1
95.04945	19.6
95.08611	36.3
95.53294	3.3
97.02892	7.8
97.06518	18.8
98.97583	4.9
99.04443	17.9
99.08088	12.9
105.03378	14.1
105.07015	39.3
107.04957	18.7
107.08585	40.3
109.06512	27.7
109.10149	14.3
110.89278	2.7
111.08070	14.1
113.06045	3.7
113.09604	3.6
117.07056	7.1
119.04934	4.3
119.08560	30.7
121.06490	6.4
121.10126	22.1
123.04449	6.5
123.08053	48.1
123.11710	13.8
125.05982	22.9
125.09574	5.0
127.07520	5.6
129.06958	4.7
131.08586	3.4
133.02858	6.3
133.06496	6.3
133.10124	13.5
135.04398	5.8
135.08054	5.4
135.11655	7.2
137.05962	15.7
137.09619	10.0
139.07550	5.1
139.11133	10.3
140.04755	3.7
141.06990	6.3
143.08563	5.9
145.10127	4.9
147.04419	5.4
147.08078	8.7
147.11693	19.0
149.09589	17.5
151.07535	14.2
151.11169	76.7
153.01810	5.2
155.08571	6.4
155.10678	4.1
156.09378	7.8
159.11670	4.6
161.09625	7.9
161.13278	20.1
163.03941	7.1
163.11176	30.6
165.01842	6.9
165.05531	7.0
165.06947	4.8
165.09114	4.4
165.12788	10.9
167.07010	9.4
167.10667	3.5
169.08635	3.8
169.10033	6.3
171.11691	4.9
179.08577	4.2
179.10637	3.8
179.14311	8.7
180.04126	24.1
181.06627	3.6
181.12206	8.6
182.05774	4.8
182.07272	5.5
183.06560	7.6
183.13744	4.3
189.12752	26.8
193.04958	10.8
195.06552	3.5
197.09616	4.2
207.06473	5.7
207.13785	100.0
225.04037	7.0
225.07330	6.3
225.09122	8.7
225.12827	6.7
225.14751	31.0
226.09776	5.7
227.04051	5.6
230.95731	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	223.1692
Annotation	Rishitin
Peak:m/z	Relative Intensity
50.82264	0.8
50.92405	0.9
53.03949	2.1
55.01875	5.3
55.05513	14.3
56.05038	5.8
56.05275	1.2
56.96555	1.2
57.03437	1.6
57.07079	4.8
59.04988	1.2
65.03927	4.1
67.05505	100.0
69.03423	2.4
69.07068	14.5
71.01363	1.1
71.04992	5.0
71.08614	1.9
71.57702	0.9
71.58161	1.2
77.03915	1.1
78.04688	1.4
79.05494	42.7
81.03405	2.0
81.07056	73.7
82.07397	1.6
83.04987	3.5
83.08624	6.1
84.08140	1.1
85.02900	1.4
85.06528	5.1
87.04481	1.3
91.05479	16.9
93.07043	58.5
95.04990	7.0
95.08606	66.8
97.02866	1.5
97.06565	4.4
97.10173	3.5
99.08113	1.4
103.05511	1.6
105.04527	1.1
105.07030	12.8
107.04973	4.6
107.08595	50.6
109.06526	4.8
109.10156	53.1
111.08064	3.5
115.05449	1.1
115.78294	1.1
117.07009	5.9
119.08583	6.2
121.02857	1.7
121.06469	6.8
121.10147	43.0
123.08085	4.1
123.11708	12.1
125.09624	2.8
126.01060	11.6
127.07557	1.8
129.07048	1.3
131.04912	2.0
131.08549	12.5
133.06483	1.4
133.10153	4.2
135.04411	1.1
135.08043	12.2
135.11713	11.9
137.05969	1.4
137.09634	1.5
138.13463	1.0
139.07567	2.6
139.11229	1.5
145.06526	1.0
145.10135	9.4
147.11661	3.0
149.02310	5.2
149.09630	14.8
149.13255	4.2
153.09125	3.6
159.11691	3.2
161.13254	5.1
162.03145	4.8
162.98946	0.9
163.03934	2.6
163.07535	2.1
163.11195	7.8
163.14824	27.8
164.31404	0.9
165.07001	2.1
167.03465	1.3
167.08633	1.3
167.10631	4.9
177.05428	1.0
177.09114	2.2
177.12799	2.8
177.16420	5.7
180.09315	1.2
181.10068	1.5
181.12224	4.6
187.14783	9.9
190.01076	1.2
190.02657	4.0
191.91643	1.1
193.10165	2.0
195.06454	1.1
195.11690	1.7
202.86691	1.1
205.12173	1.3
205.15906	13.9
207.02963	2.2
208.03697	2.3
208.12492	1.0
221.56357	1.1
222.48904	1.1
223.05771	12.5
223.07553	3.3
223.11223	2.9
223.13275	4.2
223.15080	0.9
223.16893	23.9
223.20406	1.6
224.16490	1.5
225.04315	6.2
227.02299	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	225.1483
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.26085	1.6
55.01864	3.6
55.05502	5.5
57.03440	2.4
59.05003	1.9
66.68691	2.0
67.05492	9.8
69.03419	8.0
69.07066	6.7
71.04988	21.2
73.30209	1.8
78.50151	1.7
79.05494	12.2
81.07052	13.1
83.04958	5.9
83.08611	4.3
85.02900	20.8
85.06565	2.1
91.05475	13.5
93.07034	29.7
95.04967	4.8
95.08595	10.8
97.06524	5.2
98.21548	3.9
99.04436	8.3
105.03409	3.0
105.07033	23.6
107.04951	3.6
107.08594	15.7
109.06514	9.3
109.10139	20.8
111.08091	5.8
117.07011	2.8
119.04939	2.8
119.08569	21.6
121.06516	4.0
121.10132	48.4
123.04426	2.2
123.08095	9.7
123.11690	9.0
125.09633	4.9
129.06993	2.3
131.08566	5.0
133.06488	2.4
133.07494	2.0
133.10120	6.3
135.08038	2.2
135.11664	4.9
137.06000	2.5
137.09605	26.4
139.11172	5.4
141.06953	2.2
143.08614	2.8
145.10159	4.3
147.08031	4.4
147.11670	12.9
149.09612	100.0
151.07553	3.1
151.11201	7.9
156.09381	4.1
157.58946	2.3
161.09602	2.9
161.13242	9.8
163.11180	3.7
165.05510	2.5
165.12784	4.4
167.10719	5.6
171.11736	4.5
174.10420	4.0
179.14424	2.6
182.16890	1.8
183.13823	3.3
189.12737	20.5
192.04179	2.9
207.13797	23.9
209.49033	1.8
210.05193	10.7
225.07573	6.2
225.12848	3.8
225.14882	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	225.1484
Annotation	MKN-003A
Peak:m/z	Relative Intensity
55.01873	1.2
55.05505	3.8
57.03409	1.1
57.07069	5.8
58.11217	0.9
59.04987	2.2
67.05503	8.6
69.03426	2.5
69.07054	3.4
69.53358	8.0
71.04992	3.0
79.05480	8.7
81.03396	5.1
81.07056	8.0
83.04977	35.0
85.06526	1.7
91.05489	6.5
93.07036	8.6
95.04951	6.1
95.08598	7.1
97.06528	15.0
99.04443	4.9
99.08087	1.6
105.03368	1.2
105.07027	8.6
107.04945	4.3
107.08584	12.2
108.05732	1.1
109.06525	6.3
109.10161	1.8
111.04466	1.5
117.07022	2.1
119.08569	7.9
121.06492	1.5
121.10130	9.8
123.08051	21.8
123.11714	1.2
125.05988	54.4
130.07704	1.2
131.08521	1.0
133.10126	2.1
135.11690	6.1
137.05910	1.3
137.09636	1.2
139.07530	3.1
145.10100	7.7
147.11655	3.4
149.09660	1.6
151.07532	23.8
161.13254	1.8
163.03915	1.1
163.11176	100.0
164.11511	2.7
165.05490	1.2
165.07042	1.2
165.12770	2.8
167.07063	2.0
167.10634	1.5
169.08653	1.3
169.10187	1.6
180.04123	2.4
181.12199	10.9
183.13710	1.2
189.12695	5.0
193.04912	1.7
207.13760	8.1
225.03902	1.0
225.09248	2.2
225.12753	1.6
225.14799	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1692
Annotation	Chromolaevanedione
Peak:m/z	Relative Intensity
50.37928	1.5
51.02372	1.7
53.03940	13.4
55.01854	7.0
55.05275	2.4
55.05508	32.6
56.05027	2.3
56.96545	3.1
57.03417	6.4
57.07073	18.6
59.04977	1.8
63.56063	1.4
65.03925	5.2
67.05503	57.0
67.87613	1.4
68.99780	1.8
69.03077	2.2
69.03427	36.7
69.07064	40.2
71.04991	8.7
71.58226	2.5
71.86217	1.5
78.04691	5.5
79.05064	2.2
79.05489	35.2
81.03413	72.2
81.06595	3.6
81.07053	60.6
83.04978	27.5
83.08617	15.2
85.02871	2.5
85.06075	2.7
85.06541	34.7
91.05473	25.8
93.07039	64.8
95.01321	2.1
95.04964	30.2
95.08604	70.5
97.02861	3.5
97.06544	10.0
97.10141	4.5
99.04469	2.7
99.08056	5.0
103.05449	5.4
105.03400	3.7
105.07030	31.8
106.04173	4.0
107.04308	2.1
107.04964	26.8
107.07874	2.7
107.08588	46.0
109.02857	1.4
109.06519	26.3
109.10152	51.2
110.95477	1.5
111.04388	2.9
111.08074	15.5
111.11659	1.7
113.09627	2.9
115.05411	1.9
116.98644	1.6
117.07043	7.3
119.08558	18.2
120.08075	4.1
121.02915	2.4
121.06492	27.1
121.10137	76.4
122.07275	3.0
123.08067	18.3
123.11690	8.8
125.05980	2.2
125.09606	4.6
125.13289	1.9
126.01040	5.1
129.06996	2.5
131.04930	2.3
131.08563	8.5
133.02846	3.3
133.06519	2.6
133.10127	7.7
134.03598	7.0
135.04454	8.1
135.08064	15.9
135.11682	15.6
137.05936	2.2
137.09622	20.9
137.13240	4.9
139.07532	23.7
139.11148	5.9
141.06952	1.7
143.08533	2.6
145.06465	2.5
145.10121	13.6
147.11691	10.4
149.02330	14.8
149.05931	3.3
149.08565	2.1
149.09610	23.2
149.13319	7.7
151.07533	2.8
151.11182	5.0
152.06175	2.0
153.01794	2.0
153.09082	5.6
157.10089	1.7
159.08112	1.7
159.11690	5.7
161.05902	1.6
161.13232	5.6
162.03127	25.4
163.03894	16.0
163.07526	4.2
163.11182	11.0
163.14803	16.1
165.05559	1.6
165.06865	4.0
165.09172	1.6
165.11407	2.7
165.12746	51.1
167.07057	4.4
167.10579	2.0
175.14815	1.8
177.05470	2.7
177.06895	1.5
177.09084	5.6
177.12761	5.3
177.16331	4.7
179.03423	10.3
179.07013	1.7
179.08467	2.0
180.04135	2.5
181.10075	3.5
181.12245	1.9
184.06889	1.6
187.14761	4.5
190.02589	29.5
191.03337	2.4
193.01276	2.6
193.10114	3.1
193.15866	6.6
194.02037	3.9
195.06470	2.5
195.08049	2.8
195.11595	3.2
205.08609	2.6
205.12177	6.6
205.15823	13.6
207.02910	11.8
208.03664	20.4
208.12508	1.8
223.02339	7.8
223.05975	100.0
223.09573	5.8
223.11238	4.0
223.13287	10.8
223.15218	3.6
223.16896	74.4
223.20494	4.7
224.06439	3.0
225.04268	17.3
227.02235	4.8
238.89282	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1692
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03941	19.5
55.01857	8.4
55.05508	38.6
56.05020	9.0
56.96566	2.6
57.03426	4.3
57.07074	18.7
59.05003	2.7
65.03925	6.6
67.05506	67.3
69.03085	3.5
69.03428	49.3
69.07066	37.0
69.91813	8.4
69.92236	5.8
71.01357	2.4
71.05000	5.7
79.05498	36.6
81.03417	100.0
81.06591	3.3
81.07056	63.2
83.04986	32.3
83.08620	15.8
85.06068	4.1
85.06547	51.4
91.05486	30.2
93.07047	74.2
95.04964	33.8
95.08604	76.5
97.06517	7.7
97.10187	2.8
99.08087	4.1
103.05445	4.2
105.07028	34.3
107.04974	17.4
107.08595	52.4
109.06531	25.5
109.10155	61.4
111.08088	19.3
111.11697	3.0
113.09628	3.7
115.05418	2.6
117.07027	6.4
119.08593	19.8
121.05691	3.0
121.06517	41.2
121.10145	93.7
123.08064	23.4
123.11685	9.8
125.09621	5.2
126.01074	21.7
131.08546	7.9
133.10104	7.4
135.04440	2.8
135.08047	18.9
135.11693	15.8
137.09599	32.2
139.07539	30.0
139.11119	5.7
144.96477	2.9
145.10126	8.2
147.11685	9.4
149.02364	7.5
149.05896	2.7
149.09631	25.0
149.13306	4.1
151.11180	3.9
153.09122	7.6
156.51999	2.9
159.11688	5.0
161.13275	5.9
163.03964	4.1
163.07487	2.4
163.11214	9.3
163.14774	13.8
165.12761	65.0
167.10732	3.2
175.14859	3.6
177.09093	5.0
177.12772	5.9
177.16321	3.7
181.01387	2.9
181.12157	2.6
187.14813	6.8
190.02618	5.1
192.15129	3.2
193.15881	13.1
195.08113	3.1
205.08521	2.9
205.12202	5.3
205.15874	7.1
207.02829	2.3
208.03654	4.5
223.05836	18.8
223.09648	4.4
223.13350	5.9
223.15268	4.0
223.16939	98.8
225.04259	7.9
227.02161	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03255	0.3
53.03942	0.9
53.25123	0.2
55.01862	1.5
55.05511	4.0
57.07080	0.4
63.01384	0.3
65.03940	1.7
67.05175	0.4
67.05506	6.4
69.03437	0.6
69.07066	4.0
69.24615	3.2
71.04988	1.5
72.21868	0.2
79.05492	5.7
81.03413	3.0
81.07055	9.3
81.85467	0.3
83.04984	1.6
83.08624	1.2
85.02914	2.8
85.06528	0.6
91.05484	4.3
93.07040	4.1
95.04969	100.0
95.08603	5.1
96.05302	1.1
97.06513	1.3
97.42069	0.3
99.08095	0.5
105.07037	3.2
107.04978	1.6
107.08603	2.1
109.06518	3.0
110.56760	0.2
111.04457	0.5
111.08076	0.4
115.05452	0.5
117.07010	2.5
119.08575	3.4
121.06509	2.7
121.10136	2.0
123.08060	2.6
126.01064	1.0
128.06232	0.4
129.07010	0.8
130.07782	0.3
131.08536	1.3
133.10124	0.7
135.08075	1.2
135.11690	2.3
141.07013	0.6
143.08586	0.6
144.09297	0.3
144.69154	0.3
145.06546	0.6
145.10117	5.4
147.08038	3.2
149.02333	1.7
149.09637	0.6
154.07826	0.3
159.11674	1.7
161.09647	0.9
162.03069	0.3
163.11179	12.5
169.10103	0.6
172.14030	0.3
177.12758	1.1
187.11212	1.5
190.02660	0.5
191.33267	0.3
192.28352	0.3
205.12228	1.4
208.03743	0.4
221.81194	0.3
223.02379	0.3
223.05785	1.5
223.11386	0.3
223.13342	2.2
223.16940	0.7
225.04311	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
51.71483	0.8
53.03929	2.8
53.09791	0.7
55.01855	2.1
55.05512	22.6
57.03437	27.9
57.07052	1.1
65.03934	1.3
67.05515	6.6
69.03410	1.1
69.07053	2.7
69.23637	1.0
71.05018	0.8
71.19920	1.6
72.90620	0.8
72.93165	0.7
75.41647	0.7
78.04703	1.0
79.05492	54.3
79.52909	0.7
80.05801	0.9
81.07049	8.4
81.51340	0.8
83.04967	3.0
91.05457	5.9
93.03385	1.4
93.06478	1.3
93.07040	18.5
95.04980	10.0
95.08593	2.4
97.06532	1.9
103.03935	6.6
105.04510	1.0
105.07021	3.7
107.04953	100.0
107.08596	10.5
108.05284	1.7
111.04416	2.0
119.08563	0.9
121.06472	2.2
121.10143	16.7
123.08086	0.7
125.05975	1.9
126.00992	0.9
129.69385	0.8
131.08582	4.6
149.02299	2.4
149.09621	29.8
151.74417	0.8
162.02985	0.9
167.10664	2.2
180.07828	1.3
180.19180	0.9
181.08698	0.9
184.43011	0.9
190.02657	1.0
198.90831	0.7
220.68364	0.8
223.05978	3.2
223.13263	45.6
223.16849	1.6
224.13632	1.3
225.04108	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
55.01858	3.3
55.05509	18.2
56.76523	1.4
57.03439	30.8
57.07061	2.3
64.25492	1.6
67.05498	9.9
69.03407	2.3
69.07063	3.2
70.59255	1.5
78.04720	2.0
79.05491	48.4
81.07063	13.9
81.58675	1.6
83.04983	4.1
91.05476	6.3
93.07035	18.9
95.04964	10.2
95.08587	6.6
97.06512	3.8
98.20718	3.8
103.03930	8.5
105.07018	5.1
106.04196	2.8
107.04953	100.0
107.08570	13.7
109.10081	1.6
111.04432	2.1
116.70462	1.9
117.06998	1.8
119.08578	2.9
121.10136	18.3
123.62962	1.8
125.05988	3.3
131.08549	7.9
133.10074	2.0
134.03612	2.6
135.04388	3.0
135.11659	2.8
139.07510	2.3
144.08951	2.3
149.02361	9.2
149.09621	27.9
159.11638	1.9
162.03145	11.8
163.03864	6.6
163.07599	1.7
163.11206	2.9
167.10686	2.2
177.12712	2.5
179.03444	2.2
181.10110	2.6
190.02617	11.7
207.02834	5.0
208.03687	6.9
223.02562	3.0
223.06004	44.1
223.08150	2.4
223.11247	2.3
223.13235	40.9
223.16571	8.9
224.13707	2.0
225.04256	6.0
227.02232	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0599
Annotation	K 251-1
Peak:m/z	Relative Intensity
53.48928	0.6
65.88509	0.7
69.63953	5.2
69.64353	1.4
78.04707	6.0
79.05479	1.9
81.58727	0.7
95.04946	1.4
98.21455	1.4
105.03404	1.1
106.04163	3.2
107.04944	21.5
108.78661	0.9
113.24490	0.7
119.29207	1.0
120.71381	0.7
130.48116	0.9
133.02856	1.5
134.03616	7.2
135.04390	7.0
161.02339	1.6
162.01759	1.8
162.03116	27.7
163.03894	11.5
167.07097	1.0
179.03354	6.8
180.04109	1.3
186.20239	0.7
190.02603	27.7
191.03250	1.3
193.01289	2.6
194.02092	2.6
195.06491	1.8
207.02893	11.0
208.03653	19.4
223.06003	100.0
224.06331	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	223.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.3
55.01862	4.0
55.05513	22.8
57.03416	3.1
57.07053	4.3
59.04986	5.2
64.05642	1.8
65.03928	3.8
67.05509	13.4
68.49153	1.9
69.03424	12.8
69.07051	8.8
69.79026	6.1
69.79442	6.6
71.04967	6.4
71.08617	3.6
75.91726	2.0
77.03924	2.6
79.05492	23.7
81.07056	20.8
83.04982	31.4
83.08582	8.0
91.05476	30.8
93.07039	100.0
95.04958	15.9
95.08604	30.1
95.09179	3.4
95.76602	2.1
97.02874	2.7
97.06526	3.6
98.93175	1.8
99.08070	4.7
103.05452	2.0
105.07024	17.3
107.04939	10.5
107.08589	76.9
108.05700	4.6
109.06511	21.4
109.10102	9.0
111.04451	10.7
111.08076	17.4
117.07013	8.0
119.08574	27.0
121.06505	32.8
121.10136	25.8
123.04419	4.2
123.08056	25.0
124.89021	1.9
125.05972	6.4
125.09556	2.2
129.06981	4.7
131.08549	7.8
133.10089	10.1
135.04495	3.6
135.08049	27.4
135.10695	4.0
135.11688	66.2
137.09610	25.7
139.03883	7.2
139.07541	22.7
141.05435	3.7
144.09293	3.8
145.10130	11.2
147.08035	4.2
149.06009	13.6
149.09618	2.7
149.13245	23.4
151.07510	4.6
153.05469	14.1
153.09126	4.0
153.12776	4.0
157.10077	5.2
159.11687	31.7
161.13196	5.1
163.06291	2.8
163.07542	24.6
163.11176	51.8
165.09077	3.7
167.07024	3.9
175.11162	7.0
177.12733	81.6
178.13040	2.3
178.27534	2.0
179.14323	2.8
181.07068	3.9
181.08586	52.3
181.12148	4.0
187.11212	9.6
195.13779	11.7
205.12251	56.0
205.14186	3.2
206.12460	2.8
223.05972	7.7
223.13263	84.1
225.04205	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
52.41442	2.2
53.03944	3.3
54.65087	2.4
55.05505	20.3
57.03421	2.8
57.07061	5.6
65.03947	2.3
67.05501	17.7
69.03403	10.1
69.07066	13.7
70.86789	8.4
71.04988	4.9
71.08613	5.7
79.05497	18.9
81.03375	2.9
81.07051	29.4
83.04979	33.8
83.08617	7.8
91.05485	28.0
93.03410	2.3
93.07040	96.2
95.04974	12.0
95.08601	28.7
97.06494	5.1
99.08088	6.7
105.07025	22.9
106.09255	2.5
107.04926	7.5
107.08591	76.8
109.06527	19.8
109.10120	4.5
111.04446	10.8
111.08079	15.4
117.07014	10.4
119.04894	2.8
119.08606	19.7
121.06485	33.6
121.10146	22.7
123.04403	3.0
123.08050	24.7
125.05972	3.2
129.06985	3.8
131.08542	12.5
133.10135	9.3
135.04382	5.4
135.08052	21.2
135.11682	83.9
137.09610	32.3
137.13274	3.1
139.03894	6.9
139.07524	28.4
141.05466	2.6
142.36343	2.2
144.09331	4.9
145.06485	3.5
145.10112	9.5
147.07983	5.1
149.05981	15.1
149.07005	2.8
149.09612	6.1
149.13235	21.7
153.05482	14.3
153.09096	6.2
157.10152	9.4
159.11684	30.4
161.13322	3.0
163.07518	19.2
163.11166	49.2
165.09126	2.8
167.07019	6.9
175.11163	12.0
177.05382	2.5
177.12747	97.9
179.14343	2.9
181.08589	57.3
181.12160	4.7
187.11102	14.3
195.13766	14.0
205.12238	52.8
223.06010	6.8
223.11154	5.4
223.13284	100.0
224.13600	2.7
229.57831	2.9
244.59190	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	223.0599
Annotation	K 251-1
Peak:m/z	Relative Intensity
55.01871	1.2
59.93097	0.6
67.05508	0.7
69.03417	0.8
69.07027	0.8
69.64899	2.4
69.65315	2.1
72.55244	0.7
78.04701	4.7
79.05474	3.0
81.03423	1.0
81.07058	1.3
83.04972	2.0
85.02900	1.4
89.03942	0.7
89.90013	0.6
91.05479	2.5
93.07040	2.6
95.04942	2.3
95.08593	1.5
98.20757	1.3
105.03386	2.0
105.07016	2.2
106.04165	3.8
107.04953	8.5
107.08563	2.8
111.08020	1.4
117.07027	1.2
119.08557	1.7
121.02871	0.7
121.06488	1.4
121.10123	1.7
123.04454	0.8
123.08035	1.5
125.05985	0.7
131.08615	1.2
133.02831	1.2
134.03618	7.3
135.04411	8.3
135.08005	2.2
135.11697	1.5
137.05940	1.0
139.07457	1.2
145.03876	0.7
149.02333	2.6
149.09648	1.3
149.13228	0.8
150.03210	0.7
161.02350	1.4
162.01765	1.4
162.03117	26.9
163.03877	12.0
163.07500	0.8
163.11189	1.6
165.09097	0.9
167.07008	1.1
175.11090	0.7
177.05441	0.9
177.09048	1.3
177.12744	2.1
179.03389	11.1
180.04124	1.4
181.12259	0.9
187.11137	0.7
190.02600	34.5
191.03207	1.5
193.01300	3.0
194.02046	3.2
195.06491	2.1
205.01332	1.3
205.12146	1.7
207.02861	16.7
208.03647	25.6
208.05666	1.3
209.03976	0.9
223.05991	100.0
223.13245	2.8
223.16835	1.1
224.06339	2.5
225.04295	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0601
Annotation	K 251-1
Peak:m/z	Relative Intensity
50.33995	0.7
53.03941	1.3
55.01857	2.5
55.05505	4.9
56.05008	1.3
56.96552	3.2
57.03435	1.8
57.07057	3.0
63.43684	0.8
65.03929	1.2
67.05502	9.7
68.99799	0.9
69.03416	3.0
69.07066	8.7
69.51077	0.7
70.62988	1.6
70.63378	1.3
71.04975	3.3
73.55746	0.6
73.65746	0.7
78.04712	4.5
78.38897	0.7
79.05496	10.1
81.03423	3.6
81.07050	12.1
83.04994	3.7
83.08601	3.2
84.88148	0.8
85.02915	1.5
85.06563	4.1
91.05476	7.8
93.03391	0.7
93.07043	13.6
95.04977	7.2
95.08609	10.3
97.02876	1.6
97.06528	3.4
97.10150	1.5
98.97564	1.7
99.04454	1.1
99.08108	1.5
103.05450	0.9
105.03400	1.7
105.07053	6.1
106.04152	1.9
107.04961	19.9
107.08600	12.7
109.02837	0.9
109.06516	4.5
109.10173	7.0
111.04436	1.0
111.08065	3.1
113.05929	0.8
115.05466	1.0
116.98613	1.1
117.07012	2.3
119.08568	3.8
121.02856	2.2
121.06494	3.3
121.10143	6.6
123.04427	1.4
123.08032	2.4
123.11675	3.6
125.09627	2.7
126.01057	2.5
129.07004	1.3
131.04915	1.0
131.08562	3.3
133.02919	1.4
133.06487	1.3
133.10103	2.2
134.03644	6.5
134.99629	1.3
135.04431	6.8
135.08028	2.6
135.11690	4.7
137.05959	1.9
137.09602	3.3
137.13251	1.1
139.03938	0.9
139.07536	1.2
139.11176	0.8
145.03955	1.4
145.06453	1.9
145.10165	4.1
147.11662	1.6
149.02356	7.3
149.05959	1.8
149.09605	3.2
149.13257	2.4
151.03934	1.0
151.11095	0.8
153.01721	0.9
153.09084	1.1
159.11668	2.7
161.02403	1.1
161.13239	1.3
162.01767	1.2
162.03120	23.3
163.03922	11.5
163.07545	1.9
163.11205	3.8
163.14812	2.3
165.01787	1.1
165.07028	1.9
165.09076	1.0
165.12750	1.4
166.07697	0.8
167.03494	0.7
167.05588	0.7
167.06999	2.1
167.08502	1.5
172.08882	0.7
177.00652	0.9
177.05434	2.0
177.09109	2.5
177.12701	3.0
177.16415	1.2
178.07806	1.2
179.03409	7.3
179.08542	1.7
180.04167	2.6
180.09348	1.3
181.09909	1.1
187.07571	0.7
187.11118	1.3
187.14761	1.9
190.02605	26.3
191.03308	1.4
193.01320	2.6
193.10139	1.5
194.02078	3.3
195.06483	2.1
195.08026	1.1
195.11662	1.8
205.01350	1.4
205.04956	1.0
205.08582	1.3
205.12338	3.3
205.15837	2.0
207.02902	10.8
208.03651	16.7
208.12479	0.8
223.02396	2.8
223.06001	100.0
223.09579	2.5
223.11206	1.8
223.12869	3.6
223.14859	2.2
223.16795	6.7
223.20470	1.9
224.06331	2.9
225.04330	7.0
227.02161	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	221.1535
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03946	3.1
55.01869	7.2
55.05267	1.6
55.05507	17.8
57.03434	3.9
57.07074	7.1
59.05010	2.0
65.03934	4.1
67.05166	2.4
67.05499	24.7
69.03418	20.6
69.07063	14.7
71.01350	3.8
71.04995	8.0
79.05486	33.4
81.03396	2.4
81.07050	41.6
83.04973	13.2
83.08609	6.7
85.06529	3.6
91.05472	69.8
93.06470	3.0
93.07039	42.6
95.04967	19.0
95.08593	23.8
97.06516	6.0
100.07607	2.4
103.05467	6.1
104.06210	2.1
105.06292	2.5
105.07024	58.7
107.04973	7.0
107.08582	27.2
109.06518	13.1
109.10141	12.6
111.08080	9.1
115.05443	6.9
117.06995	16.5
119.04923	11.0
119.08570	100.0
120.08852	1.8
121.06445	8.4
121.10136	12.6
122.07283	1.9
123.04459	1.6
123.08054	7.6
123.11708	4.2
125.09621	2.9
128.06212	5.2
129.07031	7.5
131.08527	11.0
132.05698	2.0
133.06494	10.5
133.10118	30.8
135.08035	10.8
135.11676	6.8
137.05969	13.7
137.09613	15.6
140.77519	1.4
141.11519	1.6
142.07747	3.1
143.07634	1.5
143.08545	9.6
145.06480	1.9
145.10132	8.0
147.04399	20.7
147.08049	19.9
147.11678	13.0
149.09612	4.8
151.07518	3.3
151.11156	3.0
153.09073	1.7
155.08530	2.9
157.10132	5.7
159.11685	7.7
161.06007	7.3
161.09619	12.6
161.13251	32.2
163.07509	2.1
163.11153	3.8
163.14890	1.9
165.06972	2.1
165.09106	5.3
170.10916	3.6
173.09666	3.3
175.07524	5.2
175.11156	4.8
175.14807	11.8
176.07257	2.6
177.09116	27.4
177.16330	1.7
178.09483	1.8
179.10646	2.2
179.14377	1.8
185.13197	10.9
193.04997	1.6
193.08540	3.2
203.07146	2.0
203.10774	2.2
203.14311	15.6
203.17973	3.8
206.05766	1.8
206.10941	1.6
206.16199	8.5
221.04434	7.1
221.08002	6.7
221.11824	4.1
221.15341	41.7
221.17499	1.4
221.18767	5.4
221.21959	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	221.1535
Annotation	Dehydrocarissone
Peak:m/z	Relative Intensity
53.03939	2.0
55.01851	2.8
55.05507	10.0
57.03417	1.1
57.07064	2.1
59.05009	2.1
60.72125	0.9
65.03925	5.5
67.05504	11.9
69.03136	1.0
69.03427	12.1
69.07068	8.0
70.69935	3.4
71.04975	1.7
77.03887	1.0
79.05492	13.1
81.03396	1.6
81.07059	16.5
83.04974	14.6
83.08601	3.7
85.06499	1.2
87.94390	0.9
91.05479	59.6
93.07042	12.1
95.04967	8.1
95.08601	11.8
97.06525	2.4
99.08020	1.1
102.89632	1.0
103.05473	6.7
105.03371	1.7
105.07035	30.7
107.04955	3.0
107.08591	13.4
109.06513	11.3
109.10149	11.3
111.08056	4.5
115.05425	3.4
117.07034	10.7
119.04937	42.7
119.08578	51.8
120.05283	1.7
120.08900	1.6
121.06491	5.8
121.10133	16.6
122.07277	2.0
123.08060	8.1
123.11743	1.4
124.38313	0.9
125.02316	1.0
125.09550	2.3
127.07557	3.0
128.06206	3.2
129.03369	1.9
129.06999	3.2
131.04932	3.7
131.08559	5.1
132.05719	1.0
133.02876	1.2
133.06509	5.9
133.10124	34.1
134.07271	1.3
134.10419	1.5
135.08047	5.5
135.11690	5.5
136.36949	1.1
137.05969	2.5
137.09608	12.8
137.13268	1.2
139.03854	1.7
142.07811	1.7
143.08516	5.4
145.06477	2.2
145.10075	6.4
146.07239	1.3
147.04408	100.0
147.08038	49.8
147.09239	1.5
147.09778	1.1
147.11662	5.4
148.04723	3.2
148.08414	1.5
149.02327	4.8
149.09616	3.9
149.13181	1.5
151.03824	1.6
151.07513	1.3
151.11179	22.2
153.01823	13.1
155.08536	1.7
156.09373	1.0
157.02846	1.5
157.10095	3.2
159.04411	3.1
159.07994	1.3
159.11707	3.1
161.05991	2.2
161.09615	11.2
161.13252	24.7
162.06781	5.8
163.11159	3.8
164.37399	1.0
165.05495	20.4
165.06903	2.0
165.09113	25.3
170.10913	3.7
173.09676	1.7
173.13275	3.9
175.03905	55.2
175.07503	3.9
175.11162	13.1
175.14822	9.4
176.04253	2.3
177.09106	89.8
178.09456	3.8
179.03360	1.8
179.14235	1.3
185.13255	6.2
186.14032	1.2
188.11966	2.9
190.13480	2.9
191.14325	13.7
192.04163	2.1
193.04959	33.5
193.06720	2.0
193.08545	1.3
193.15984	1.4
194.05392	1.2
203.01498	1.3
203.03392	24.9
203.05205	1.7
203.10597	1.3
203.14349	10.7
206.16188	1.9
221.04448	52.1
221.11920	2.1
221.15361	46.2
221.18657	1.8
222.04912	2.8
240.85913	0.9
244.63142	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35301	0.2
53.03947	0.3
55.01861	0.5
55.05503	0.9
57.07082	0.3
65.03933	0.2
67.05496	1.1
67.06779	0.2
69.07077	1.0
69.23662	0.2
71.05004	0.4
71.57728	0.2
71.58174	0.2
79.05493	1.0
81.03410	1.6
81.07062	2.5
83.04979	0.3
83.08601	0.3
85.06559	0.4
91.05472	2.6
93.07030	1.7
95.04973	0.3
95.08621	1.9
98.86112	0.2
100.74045	0.2
103.05454	0.6
105.07031	3.1
107.04960	0.4
107.08587	1.7
109.06504	0.3
109.10186	1.2
111.08055	0.5
114.98966	0.2
115.05440	2.2
116.06268	0.9
117.07012	5.4
119.04921	0.4
119.08578	1.9
120.64323	0.2
121.06487	0.8
121.10131	0.7
123.08058	0.4
123.11706	0.6
128.06244	1.4
129.07019	0.6
131.04936	0.7
131.08549	0.6
133.06474	2.1
133.10109	1.2
134.07298	1.2
135.08022	1.3
135.11707	0.5
137.05971	0.5
137.09552	0.3
143.04903	0.4
143.08562	1.2
144.05675	0.8
145.06471	1.2
145.10083	0.3
146.03661	0.2
147.04390	0.7
147.08052	1.0
147.11661	0.8
149.09619	0.6
151.11174	0.2
157.09995	0.3
159.08054	0.3
160.05191	0.5
161.06021	1.9
161.09627	0.7
161.13243	0.8
162.06764	6.5
163.11208	0.2
165.07040	0.4
165.09056	0.3
171.08015	0.6
175.07527	2.8
175.11230	0.5
175.14835	0.7
177.09103	100.0
178.09445	2.3
179.06970	0.2
193.08601	0.4
193.15883	0.4
203.06963	0.3
203.10648	0.6
203.14354	0.7
203.18013	0.3
206.16150	0.7
221.04247	0.4
221.06084	0.4
221.08049	0.6
221.11613	0.5
221.13469	0.4
221.15390	1.0
221.18820	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90850	0.4
55.01853	0.4
55.05505	0.8
56.96543	0.5
57.07070	0.8
67.05495	1.6
69.03415	0.4
69.07056	1.3
69.47218	3.7
79.05473	1.3
81.03400	0.7
81.07039	2.6
83.04949	0.5
83.08641	0.5
91.05467	2.7
92.24327	0.4
93.07060	1.9
95.04936	0.6
95.08589	1.3
98.95956	0.4
102.85138	0.4
103.05454	1.4
105.07033	2.5
107.04955	0.7
107.08572	1.7
109.06508	1.3
109.10131	1.1
110.55575	0.4
111.08069	1.2
115.05445	1.8
116.06296	0.9
117.07010	5.6
118.04122	0.5
118.06554	0.7
119.04929	0.9
119.06842	0.5
119.08588	2.4
121.06477	1.3
121.10126	0.7
123.11717	0.7
128.06219	1.1
131.04915	1.4
131.08559	0.5
133.06496	1.2
133.10135	1.1
134.07254	0.8
135.08086	2.3
135.11662	0.6
137.05920	0.5
137.09592	0.5
143.08557	1.5
144.05733	0.9
145.06488	1.2
147.04398	1.5
147.08015	0.7
147.11697	0.8
149.09644	0.7
151.07518	0.4
151.11250	0.6
159.08015	0.5
160.05133	0.6
161.05968	1.4
161.09607	0.7
161.13222	1.7
162.06749	6.4
163.07535	0.8
171.08145	0.5
175.07585	3.6
175.11084	0.5
175.14833	1.0
176.14243	0.5
177.09102	100.0
177.14668	3.0
178.09457	2.4
193.04922	0.7
193.08644	0.6
203.10631	0.5
203.14240	0.6
206.16214	2.0
219.30803	0.4
221.04439	0.8
221.07996	0.9
221.11737	1.2
221.15355	1.6
221.17267	9.1
221.19203	0.7
222.11209	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35301	0.2
53.03947	0.3
55.01861	0.5
55.05503	0.9
57.07082	0.3
65.03933	0.2
67.05496	1.1
67.06779	0.2
69.07077	1.0
69.23662	0.2
71.05004	0.4
71.57728	0.2
71.58174	0.2
79.05493	1.0
81.03410	1.6
81.07062	2.5
83.04979	0.3
83.08601	0.3
85.06559	0.4
91.05472	2.6
93.07030	1.7
95.04973	0.3
95.08621	1.9
98.86112	0.2
100.74045	0.2
103.05454	0.6
105.07031	3.1
107.04960	0.4
107.08587	1.7
109.06504	0.3
109.10186	1.2
111.08055	0.5
114.98966	0.2
115.05440	2.2
116.06268	0.9
117.07012	5.4
119.04921	0.4
119.08578	1.9
120.64323	0.2
121.06487	0.8
121.10131	0.7
123.08058	0.4
123.11706	0.6
128.06244	1.4
129.07019	0.6
131.04936	0.7
131.08549	0.6
133.06474	2.1
133.10109	1.2
134.07298	1.2
135.08022	1.3
135.11707	0.5
137.05971	0.5
137.09552	0.3
143.04903	0.4
143.08562	1.2
144.05675	0.8
145.06471	1.2
145.10083	0.3
146.03661	0.2
147.04390	0.7
147.08052	1.0
147.11661	0.8
149.09619	0.6
151.11174	0.2
157.09995	0.3
159.08054	0.3
160.05191	0.5
161.06021	1.9
161.09627	0.7
161.13243	0.8
162.06764	6.5
163.11208	0.2
165.07040	0.4
165.09056	0.3
171.08015	0.6
175.07527	2.8
175.11230	0.5
175.14835	0.7
177.09103	100.0
178.09445	2.3
179.06970	0.2
193.08601	0.4
193.15883	0.4
203.06963	0.3
203.10648	0.6
203.14354	0.7
203.18013	0.3
206.16150	0.7
221.04247	0.4
221.06084	0.4
221.08049	0.6
221.11613	0.5
221.13469	0.4
221.15390	1.0
221.18820	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.092
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
51.04848	1.0
55.01866	1.2
55.05504	4.5
56.96566	2.4
57.07069	5.0
65.03938	1.6
67.05515	6.4
69.03424	2.0
69.07072	4.9
70.48096	3.1
70.48492	2.1
78.93351	1.1
79.05473	3.5
81.07067	8.0
82.02966	1.6
83.04982	1.4
83.08618	5.8
85.11111	0.9
91.05432	6.1
92.25514	1.0
93.07042	4.6
94.06561	3.2
95.04975	3.6
95.08611	5.9
97.02897	1.8
99.15792	0.9
103.05451	3.5
105.07018	5.5
107.04984	1.7
107.08578	5.4
109.06510	3.1
109.10161	8.3
111.08073	11.4
115.05452	3.8
117.07053	1.2
119.04952	2.2
119.08577	7.5
120.08113	1.2
121.06502	10.3
121.10130	2.9
123.08068	2.1
123.11718	2.5
130.06526	61.7
131.06876	2.0
132.03458	2.4
132.04451	41.2
132.84529	1.1
133.06439	2.0
133.10118	4.9
134.06006	4.6
134.10988	1.3
135.08070	3.6
135.11694	2.6
137.02283	1.7
137.05974	2.8
137.09598	2.9
146.06042	2.0
147.04410	3.6
147.08043	1.6
147.11656	2.4
148.07567	3.2
151.07550	1.4
151.11169	2.3
153.01849	1.4
153.09096	5.5
157.07614	25.3
158.06007	84.8
159.06624	1.4
160.07515	2.2
161.06026	4.9
161.09618	1.4
162.05530	6.7
163.07567	1.5
165.01756	1.7
165.05476	1.1
165.09155	3.7
175.08676	100.0
175.14780	5.4
176.07014	2.4
176.09064	1.3
177.09116	1.4
179.10605	1.1
186.05542	3.9
188.67014	1.0
193.01299	1.8
193.08635	1.4
193.15881	5.1
203.06934	2.0
203.14345	1.3
204.06578	10.7
206.16234	8.0
221.00812	6.2
221.04475	4.0
221.09303	13.7
221.15355	6.5
221.18440	3.9
239.09486	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0921
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.05513	1.1
56.96553	1.5
57.07094	0.7
67.05505	1.4
69.07055	1.2
70.63647	1.8
70.63991	0.8
74.02457	0.9
81.07043	1.0
82.02943	2.2
83.04984	1.0
85.50373	0.7
94.06577	4.8
95.08605	1.2
98.21464	0.9
104.04973	1.2
105.07018	0.8
107.08602	0.9
109.10139	1.2
111.08075	1.9
115.05461	1.2
119.08574	1.2
120.08114	1.3
121.06505	3.1
121.10142	0.8
130.06526	70.5
131.06834	1.5
132.04457	48.0
133.04865	0.7
133.10110	1.0
137.05923	0.7
147.08081	0.7
148.07571	2.7
153.09119	1.2
157.07625	31.0
158.06017	88.7
158.17264	0.7
159.06406	1.7
168.97429	0.7
175.08675	100.0
175.14799	1.3
176.07082	2.0
176.08997	2.3
186.05502	3.0
193.15894	1.3
203.08206	6.8
204.06548	3.4
206.16260	2.9
218.39680	0.7
221.09225	15.3
221.15327	1.5
221.18143	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0443
Annotation	Buntansin
Peak:m/z	Relative Intensity
50.05053	0.4
53.03931	0.5
55.01868	1.6
55.05511	3.0
57.07069	1.1
59.05009	0.6
61.19519	0.4
65.03943	4.1
65.07341	0.4
67.05500	4.0
68.99799	1.0
69.03423	4.1
69.07067	2.3
70.63864	1.7
71.04984	1.0
77.03931	0.8
79.01856	0.7
79.05489	4.7
81.03429	1.2
81.07053	7.0
83.04968	4.3
83.08608	1.1
84.93293	0.5
85.06518	0.6
91.05476	47.0
92.05823	0.5
93.07036	4.6
95.04966	4.1
95.08618	3.4
95.40775	0.5
97.06532	0.9
99.08093	0.5
103.05463	5.6
105.03407	1.2
105.07025	8.6
107.04942	2.0
107.08578	4.8
109.06521	4.0
109.10158	3.5
111.08097	2.2
115.05439	1.6
117.07012	3.8
118.04140	0.9
119.04941	44.1
119.08579	13.9
120.05247	1.0
121.06504	1.6
121.10143	4.6
123.00786	0.8
123.04436	1.0
123.08089	2.6
123.11679	0.9
125.02333	0.8
125.09629	0.8
128.06226	1.5
129.03383	1.7
129.04375	0.4
129.06972	1.1
131.04915	3.8
131.08560	1.3
132.05658	0.5
133.02864	1.1
133.06464	2.7
133.10121	9.2
134.07272	0.6
135.04407	0.5
135.08066	1.8
135.11679	1.1
137.02405	0.5
137.05994	2.4
137.09613	4.0
139.03911	1.6
142.07776	0.7
143.08557	1.4
144.05717	0.5
145.06453	1.1
145.10126	1.8
146.03572	1.1
146.07263	0.5
147.04407	100.0
147.08031	10.8
147.11673	1.4
147.12764	0.5
148.04735	2.3
149.09599	0.9
151.03937	1.4
151.11177	4.5
153.01826	13.0
153.09158	0.6
157.02859	1.3
157.10124	1.2
159.04424	3.2
159.08003	0.6
159.11670	0.8
160.08856	0.6
161.06003	1.5
161.09651	2.5
161.13255	6.0
162.06783	2.2
163.03941	0.6
163.11220	0.9
165.01878	0.8
165.05473	20.5
165.09109	5.1
170.10951	0.7
173.13228	1.2
174.10349	0.5
175.03902	57.7
175.07442	4.6
175.11188	3.5
175.14772	2.5
176.04329	0.9
177.05457	1.2
177.09103	32.3
179.03386	1.8
179.10699	0.8
185.13268	1.6
189.05460	0.6
190.13507	0.7
191.14279	2.7
192.04156	2.1
193.04959	33.7
193.15840	0.7
203.03386	23.7
203.10654	1.6
203.14317	3.3
203.17838	0.5
206.16147	1.4
221.04440	50.9
221.11824	0.9
221.15372	11.3
221.17424	1.6
222.04697	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1694
Annotation	Fabianine
Peak:m/z	Relative Intensity
50.89515	0.3
55.01892	0.3
57.07078	0.4
60.49453	0.3
65.03950	0.5
69.07080	0.5
70.87733	0.9
77.63168	0.3
79.05537	0.4
81.07080	0.6
91.05476	8.5
91.05993	0.5
93.07047	0.4
95.04967	0.3
95.08621	0.4
103.05468	1.4
105.03389	0.5
105.07065	1.1
107.05037	0.3
111.08072	0.4
114.22713	0.3
115.05453	0.7
116.06199	0.3
117.05750	0.3
117.07022	2.9
118.06536	12.5
118.07349	0.7
119.04933	8.9
119.08580	0.8
121.06504	0.5
123.04404	0.4
128.06242	0.9
131.04929	0.5
131.08598	0.4
132.08075	3.3
132.08961	0.3
133.06465	0.6
133.08862	1.2
133.10202	0.4
134.07259	0.8
134.09662	0.7
135.08080	1.0
139.03799	0.4
139.87650	0.3
143.08585	0.5
144.08034	0.5
145.06430	0.7
145.10114	0.6
146.07056	0.4
146.09639	3.8
147.04402	18.2
147.10336	0.3
148.59282	0.3
149.09589	0.7
153.01833	2.6
154.42329	0.3
158.06924	0.4
159.04437	0.4
160.11201	0.9
162.06825	3.8
162.09120	6.9
165.05490	4.9
165.06870	0.6
171.44875	0.3
175.03909	11.0
175.07309	1.7
176.07990	0.4
176.10767	4.7
176.14336	31.0
177.09097	53.8
177.11560	1.3
179.03313	0.7
190.09422	1.1
190.12250	2.9
193.04964	7.2
202.09343	0.6
202.15913	0.7
203.03401	4.6
204.14598	1.3
205.15866	4.9
220.16931	100.0
221.04437	11.1
221.07776	0.4
221.15298	0.5
221.17300	3.4
228.81783	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0443
Annotation	Buntansin
Peak:m/z	Relative Intensity
50.41598	0.3
51.73835	0.3
55.01868	1.2
55.05506	0.6
65.03928	1.9
67.05497	1.1
68.59274	0.2
68.99791	0.3
69.03426	0.4
69.07088	0.4
71.04997	0.5
71.57932	0.3
71.58302	0.4
77.03931	0.6
79.01866	0.4
79.05494	0.8
81.03387	0.3
81.07053	1.3
83.04993	0.4
83.08620	0.4
91.05474	25.7
92.05787	0.5
93.07040	1.0
93.73106	0.3
95.04982	0.7
95.08599	1.0
101.03907	0.4
103.05460	3.1
105.03405	0.9
105.06985	1.8
107.04968	0.4
107.08590	1.1
108.52166	0.3
109.06520	0.8
109.10160	0.6
111.08055	0.4
115.05445	1.4
116.06236	1.1
117.07009	5.1
118.06551	0.5
119.04935	26.4
119.06835	0.9
119.08557	1.3
120.05265	0.3
121.06506	1.0
121.10117	0.6
123.00861	0.4
123.04411	0.5
123.08056	0.4
123.11685	0.3
128.06245	1.6
129.03357	1.1
131.04916	2.1
131.08519	0.5
133.02858	0.6
133.06485	1.3
133.10097	0.7
134.07271	1.3
135.08075	0.7
137.05983	1.0
137.09608	0.6
139.03894	0.7
143.08556	1.1
144.05736	0.6
145.06483	1.5
147.04401	59.5
147.08063	1.1
147.11684	0.7
148.04745	1.0
149.02309	0.3
149.09669	0.5
151.03897	0.6
153.01826	7.5
157.02840	0.9
158.43134	0.3
159.04449	1.4
160.05191	0.6
161.05954	0.7
161.09656	0.5
161.13281	0.4
162.06746	6.0
163.03882	0.4
163.09508	0.8
163.11017	0.4
165.05464	11.3
165.06877	0.6
165.09135	0.4
171.08029	0.6
175.03899	34.1
175.07422	3.3
175.11096	0.4
176.04230	0.9
176.14290	0.3
177.09096	100.0
177.14577	1.9
178.09473	0.7
179.03343	1.0
180.07448	0.3
190.12001	0.4
191.03432	0.4
192.04146	1.0
193.04959	20.2
193.15942	0.3
194.05206	0.6
195.44916	0.3
203.03392	12.6
203.10713	0.7
203.14294	0.7
206.16164	0.6
215.67848	0.3
221.04434	29.4
221.07927	0.7
221.11673	0.9
221.15352	1.2
221.17268	9.1
222.04762	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	2.6
55.05499	4.7
56.52109	1.5
56.96540	1.6
57.07066	1.6
65.03906	1.3
67.05492	5.3
69.07088	3.5
69.94268	5.3
69.94683	3.5
70.06584	1.4
79.05482	4.7
81.07058	6.2
83.08614	2.2
91.05481	21.1
93.07018	6.1
93.08652	1.5
95.04944	1.7
95.08599	4.0
103.05452	5.1
105.07034	8.5
107.08582	6.0
109.06510	1.8
115.05470	17.2
116.06264	3.4
116.92215	1.8
117.06998	6.2
119.08570	9.6
121.10127	8.7
128.06235	11.5
129.07001	50.1
130.07768	2.7
131.04924	11.2
131.08571	49.4
132.05721	1.9
133.06519	2.0
133.10114	10.1
135.08020	1.9
135.11624	2.3
137.05980	5.4
141.06990	44.9
143.08609	3.5
144.05707	7.4
145.06511	11.9
145.10107	6.3
146.07242	8.1
147.08032	2.8
147.11674	2.2
148.05167	1.8
149.09602	3.0
155.06024	2.1
157.06494	28.7
158.07272	26.0
159.04388	5.2
159.08040	32.4
159.11693	4.3
160.05194	7.8
161.05981	2.7
161.09605	7.3
161.13252	5.6
162.06631	1.7
169.06482	20.3
170.07243	9.2
171.04509	2.1
173.05945	5.5
173.09595	4.4
174.06761	93.4
175.07536	19.9
175.11031	1.6
185.06003	2.4
186.06763	22.1
187.07541	3.0
187.11177	2.8
188.08302	5.2
189.09105	100.0
190.09508	2.4
191.07004	2.4
191.10600	9.2
201.09099	42.4
201.12592	1.9
201.16348	2.4
203.14325	26.5
219.10161	93.0
219.14035	2.8
219.17427	84.1
219.21426	5.2
220.10356	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	219.1016
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
53.86699	0.8
55.01833	1.7
55.05504	3.1
55.54431	0.8
57.03428	0.8
57.07055	2.3
64.18098	0.9
65.68900	0.9
67.05505	6.6
69.03415	1.2
69.07059	4.6
69.71177	6.1
70.06599	1.1
72.21966	0.8
79.05493	6.5
81.07047	8.0
83.04980	2.6
83.08630	1.1
85.06504	1.0
91.05469	18.3
93.07049	8.2
95.04968	2.2
95.08596	4.5
97.06514	1.1
103.05450	4.6
105.07029	11.3
107.04951	2.5
107.08583	8.4
109.06496	2.7
109.10157	1.6
115.05449	14.0
116.06220	3.4
117.07018	10.0
118.07845	0.9
119.07813	1.2
119.08579	14.8
121.06485	2.1
121.10144	9.6
121.13103	0.8
123.08040	1.8
128.06230	9.5
129.07001	34.6
130.07745	3.9
131.04915	9.1
131.08572	37.4
132.05687	1.6
133.06454	2.1
133.10095	10.0
135.08029	3.7
135.11685	2.0
137.05927	2.2
137.57864	1.0
141.06987	25.7
142.07709	1.5
143.04848	1.5
143.08557	3.3
144.05717	6.9
144.09337	1.9
145.05405	1.6
145.06490	27.0
145.10124	8.4
146.07306	5.4
146.10826	1.0
147.08034	2.5
147.11661	2.6
149.05965	1.1
149.09547	1.1
155.06027	1.2
155.08517	1.3
157.06506	16.0
157.07736	1.6
157.10136	2.2
158.07278	15.4
158.19881	1.1
159.03166	1.0
159.04393	5.4
159.08049	18.0
159.11646	7.9
160.05225	6.1
160.08582	1.1
161.05957	1.8
161.09595	5.2
161.13229	6.6
163.03932	2.0
163.07555	3.1
163.11176	1.0
169.06480	9.8
169.07692	1.5
170.07260	5.5
171.07999	1.4
173.04617	1.7
173.05995	23.3
173.09581	3.9
173.13243	3.3
174.06766	58.7
175.07532	14.1
175.14841	3.1
176.04659	2.2
176.08325	1.0
177.05449	2.3
185.13162	1.2
186.06784	14.5
187.07504	3.0
187.11212	1.9
188.08318	3.2
188.11940	2.0
189.09103	63.4
190.09492	1.0
191.03348	2.2
191.06982	4.5
191.10686	5.4
201.05466	7.8
201.09079	26.3
201.12843	1.9
201.16380	2.8
201.20303	1.2
203.14307	37.3
205.15782	1.0
210.32613	0.9
219.02916	2.0
219.06670	13.5
219.10153	56.0
219.13794	6.7
219.17426	100.0
219.21463	7.8
220.10442	1.5
220.17769	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.01875	1.4
57.03421	1.9
57.07088	1.2
59.75406	1.1
60.17157	0.9
62.37717	1.2
62.78966	0.9
64.77025	0.9
67.05483	1.9
69.07040	2.0
70.03803	6.0
70.06579	1.3
71.06918	1.1
71.08624	1.3
79.05474	3.2
81.07040	4.3
83.04952	1.3
85.02861	1.0
88.07623	3.3
91.05476	16.0
93.07045	2.6
95.08582	3.1
98.20743	1.4
103.05460	5.2
105.02503	1.1
105.07027	5.0
107.08589	3.1
109.10145	1.5
115.05446	13.6
116.06270	5.2
117.07011	4.8
119.08569	3.7
121.10098	3.2
128.06215	12.0
129.06998	49.2
130.07719	4.0
131.04915	12.4
131.08563	43.2
133.06436	1.1
133.10120	4.7
137.05969	4.7
141.06979	43.6
143.04890	3.1
143.08559	3.3
144.05710	9.5
145.06496	12.0
145.10097	3.2
146.03621	1.0
146.07303	7.3
155.06013	2.0
157.06479	24.2
158.05942	1.4
158.07262	28.8
159.04420	5.3
159.08055	28.7
159.11699	2.4
160.05197	6.8
161.05974	2.5
161.09570	4.2
161.13243	2.4
163.07532	2.2
168.05721	2.1
169.06427	13.2
170.07259	8.0
171.04486	2.1
171.08031	1.4
173.05995	8.1
173.09566	1.9
173.13283	1.4
174.06760	91.0
175.07549	13.8
176.08307	1.3
185.05968	2.0
186.06754	23.6
187.07458	2.0
188.08311	3.6
189.09096	100.0
190.09482	2.7
191.07047	1.4
191.10625	6.3
201.09093	42.2
201.16397	1.6
201.20425	1.8
203.14288	8.8
219.10150	71.2
219.17429	24.2
219.21445	18.4
220.10442	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.06335	1.4
51.10503	1.8
57.03431	1.6
62.11941	1.7
67.05496	3.2
70.71033	4.2
81.07023	2.9
81.44125	1.6
91.05475	14.7
93.07035	2.7
101.26118	1.6
103.05441	3.8
105.07008	3.4
115.05449	18.4
116.06220	3.4
117.06994	4.9
119.08587	3.8
121.10091	2.9
128.06223	16.7
129.06998	55.8
130.07755	5.4
131.04912	13.6
131.08556	48.7
133.06415	2.2
137.05975	4.9
141.06033	1.7
141.06982	44.8
143.04903	2.9
143.08530	4.7
144.05710	9.1
145.06473	12.8
145.10109	2.4
146.07240	4.1
148.05197	2.0
157.06453	21.2
158.07265	29.2
159.04446	5.8
159.08037	32.5
159.11769	1.8
160.05183	7.7
161.09595	5.0
161.13278	2.7
163.07555	2.3
169.06459	16.9
169.07637	2.0
170.07277	9.5
170.95222	1.8
172.05266	1.7
173.06023	9.1
174.06761	91.1
175.07547	16.3
186.06717	21.4
187.07542	2.2
188.08275	4.6
189.09091	100.0
190.09373	3.1
191.07149	2.1
191.10655	5.6
201.09087	43.4
203.14311	9.0
219.10156	78.2
219.17445	27.8
220.10451	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	219.1016
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
51.79567	1.7
63.84969	1.7
67.05492	1.7
70.82832	3.6
70.83191	1.5
75.51225	1.6
91.05471	14.5
91.49877	1.9
103.05455	3.8
105.07029	3.9
107.08590	1.7
115.05457	15.4
116.06219	4.1
117.07013	4.7
119.08570	3.3
121.10106	2.9
128.06227	12.9
129.07010	44.0
131.04921	11.0
131.08565	41.4
133.10094	2.7
137.05931	5.3
141.06995	33.5
142.07664	1.5
143.04910	1.8
143.08566	1.9
144.05710	8.3
145.06474	10.6
146.07260	5.8
147.08023	2.5
157.06483	23.7
158.07275	26.9
159.04393	5.1
159.08051	30.3
160.05206	7.7
161.09636	4.9
163.07533	3.9
169.06503	16.3
170.07295	9.0
171.08157	1.8
173.05951	5.8
173.09554	2.1
174.06764	82.5
175.07503	12.7
186.06763	18.3
187.07558	3.3
188.08356	3.8
189.09106	100.0
191.10602	8.8
193.93716	1.9
201.09097	36.8
202.09358	2.8
203.14319	12.7
219.10159	85.0
219.17427	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	31.4
69.70426	42.1
69.70837	28.4
98.20756	21.7
98.97577	100.0
116.98619	64.6
119.01885	13.5
121.01686	15.8
133.08891	10.9
134.99686	29.8
164.85628	9.7
170.17673	11.0
173.02940	13.4
177.00719	19.9
196.04626	13.6
203.14354	13.4
219.17482	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	219.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.7
55.01843	0.8
55.05508	3.2
56.96558	1.0
57.03415	1.1
57.07069	1.1
60.42006	0.6
65.03927	0.6
67.05509	5.2
69.03405	1.0
69.07066	4.3
69.60262	0.5
69.71229	4.0
70.62846	0.6
79.05495	4.7
81.07053	7.7
83.04966	1.4
83.08608	1.1
88.01437	0.5
91.05470	10.4
93.06550	0.7
93.07044	7.2
95.04951	1.8
95.08601	4.7
96.40029	0.6
98.97617	0.7
103.05444	2.2
105.07030	7.7
107.04933	1.2
107.08574	6.1
109.06509	1.8
109.10120	2.4
115.05464	7.7
116.06244	2.9
117.07043	4.1
119.04969	0.6
119.08566	10.7
121.06529	1.5
121.10139	9.7
123.08065	1.5
123.11720	0.9
124.80521	0.6
128.06236	8.0
129.06995	27.4
130.07741	2.5
131.04916	5.9
131.08560	24.1
133.06512	0.8
133.10118	10.4
134.99614	0.7
135.08044	2.4
135.11681	4.5
137.05940	2.1
140.06337	0.6
141.06984	22.9
142.07765	1.0
143.04903	1.7
143.08537	1.8
143.84007	0.6
144.05681	3.9
145.06473	4.8
145.10143	5.0
146.07281	3.3
147.08057	2.0
147.11646	2.4
148.05170	0.9
149.05904	0.6
149.09607	1.1
149.13242	1.9
153.06851	0.7
157.06474	12.7
157.07587	0.4
157.10078	1.0
158.07274	14.0
159.04402	2.7
159.08069	16.9
159.11665	4.0
160.05255	3.0
160.08580	1.1
160.12433	0.8
161.05927	1.7
161.09615	4.0
161.13300	5.8
163.03847	0.8
163.07545	1.9
163.11212	0.8
163.14734	0.7
168.05753	0.9
169.06465	7.8
169.07654	1.1
170.07271	4.6
170.10899	1.4
172.95285	0.7
173.05971	2.5
173.09579	2.4
173.13251	1.8
174.06758	46.7
175.07521	8.0
175.11122	0.9
175.14842	2.4
177.09056	0.7
177.12799	0.9
177.16412	0.9
183.07956	0.7
186.06758	11.1
187.07506	1.4
187.11182	2.7
188.08301	2.5
188.11923	1.5
189.09099	51.9
190.09387	1.1
190.95285	1.6
191.10583	3.8
191.14442	0.9
201.09096	24.1
201.12547	0.9
201.16415	1.4
202.09360	0.7
203.14308	34.0
205.15816	1.8
219.02971	1.1
219.06691	1.2
219.10127	40.5
219.13824	2.7
219.17424	100.0
220.10548	0.8
220.17743	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	Bitalin A
Peak:m/z	Relative Intensity
51.83451	0.6
55.01858	0.8
55.05512	1.0
56.96564	1.0
57.03438	1.5
57.07078	1.5
61.90176	0.6
67.05505	1.8
69.07072	0.9
70.05373	3.1
70.06595	1.7
71.06921	0.6
71.08629	0.9
71.15331	0.6
79.05492	1.7
81.07066	2.0
88.07630	3.1
89.07967	0.9
91.05475	14.2
93.07052	2.4
95.04973	1.0
95.08611	1.5
98.20671	0.6
102.09212	0.7
103.05443	3.5
105.07030	4.1
106.08666	2.3
107.08593	2.0
109.10127	0.9
115.05453	13.5
116.06277	4.0
117.07027	4.2
118.70627	0.6
119.08592	2.2
121.06458	1.0
121.10150	2.9
128.06210	12.8
129.06996	47.2
130.04115	1.1
130.07750	2.8
131.04922	10.3
131.08562	41.6
132.05655	1.1
133.06491	0.7
133.10127	3.5
135.08032	1.1
135.11674	0.7
137.05988	4.5
141.06981	42.9
142.07372	0.7
143.04926	2.3
143.08560	2.0
144.05698	6.7
145.06470	8.8
145.10114	1.8
146.07248	6.5
147.11652	0.7
148.05199	1.4
151.07600	0.9
153.07019	0.7
156.05721	1.4
157.06476	23.6
157.17979	0.9
158.07271	23.7
159.04430	5.2
159.08049	30.5
159.11667	1.5
160.05176	6.6
161.05986	2.3
161.09641	3.8
161.13295	1.4
162.06712	0.8
163.07521	2.5
168.05707	1.1
169.06461	17.2
170.07272	9.6
171.04460	1.4
173.06009	5.4
173.09608	1.8
174.06761	83.0
175.07526	13.2
176.04706	1.0
183.08147	0.8
185.06071	0.9
186.06760	19.9
187.07484	2.2
188.08345	4.7
189.09097	100.0
190.09525	2.6
191.06981	1.8
191.10666	7.5
201.09091	43.1
201.16357	0.9
201.20396	1.8
202.09329	1.4
203.14305	6.4
219.10147	81.5
219.17416	18.5
219.21461	19.3
220.10526	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1587
Annotation	(+)-Anhydro-beta-rotunol
Peak:m/z	Relative Intensity
53.03931	4.9
55.01864	3.2
55.05507	55.0
57.07067	3.1
59.04977	5.0
65.03923	2.3
67.05499	19.1
69.03436	8.4
69.07066	7.5
70.06574	2.9
70.77973	1.3
71.49403	2.7
71.49749	1.6
73.02887	2.4
73.12664	1.6
79.05489	91.3
81.03394	1.9
81.07050	22.2
83.04976	80.1
83.08592	4.3
84.08095	1.7
85.06545	6.6
87.04470	8.4
88.07632	3.4
89.02394	8.3
89.06001	7.6
91.05473	18.3
93.03365	1.8
93.06483	1.6
93.07037	18.0
95.04971	10.4
95.08598	15.5
97.06515	2.1
98.97529	2.4
99.04441	6.2
100.07577	1.7
101.05395	1.7
101.06024	27.4
102.09193	1.8
103.05458	1.7
105.04502	2.7
105.07028	38.1
107.04220	3.7
107.04947	74.7
107.08587	62.0
109.06499	6.3
109.10152	26.2
111.04436	72.7
111.05566	1.7
111.08060	2.1
113.06001	17.0
115.05404	2.3
116.98583	2.1
117.07002	5.2
119.08580	21.1
121.06479	4.3
121.10139	10.6
122.07280	1.9
123.08038	6.5
125.09606	3.3
127.07534	11.0
128.06227	8.5
129.05484	28.5
129.06960	7.1
131.04889	1.9
131.08548	6.1
133.06480	3.4
133.10124	44.9
135.11671	14.5
137.05991	2.8
137.09618	29.4
138.82393	1.3
142.07753	3.0
143.08577	7.3
145.06451	2.5
145.10100	6.1
146.07254	2.4
147.04419	1.6
147.08035	3.8
147.11688	11.0
155.07024	100.0
156.05672	7.6
156.07320	2.0
156.09302	2.2
156.17522	2.0
157.10162	9.6
159.07935	1.5
159.11708	10.1
161.06013	2.6
161.09604	26.0
161.13257	3.9
170.10959	2.2
171.04405	1.7
171.08078	3.4
171.11636	6.4
173.08105	41.8
173.13208	5.9
174.06746	1.6
174.08322	1.8
175.07581	1.5
175.11264	7.1
175.14809	10.5
177.00674	1.5
189.05460	2.3
189.09122	4.4
189.12735	2.0
189.16350	6.2
199.07516	4.3
199.09619	6.5
199.14786	13.7
202.06273	2.1
217.05014	2.5
217.08589	13.0
217.10678	36.4
217.15849	64.7
217.19490	5.6
218.21169	15.0
238.67047	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71088	2.2
53.03928	6.4
54.09153	2.3
54.20734	2.8
55.01860	7.9
55.05503	29.0
55.83743	2.6
56.05820	2.6
56.96565	18.0
57.03436	5.3
59.05003	3.8
67.05497	42.9
69.03417	10.7
69.07063	32.4
71.04985	21.2
71.49901	5.3
74.09718	4.5
79.05486	35.7
81.03432	3.5
81.06582	4.4
81.07051	73.5
83.04969	9.2
83.08617	16.3
85.06535	12.8
90.94809	2.6
91.05475	42.8
92.05793	2.7
93.07035	34.7
95.04965	15.3
95.08601	100.0
97.02865	3.4
97.06535	26.0
97.10175	7.1
98.06070	4.4
98.97569	50.6
99.04472	3.2
99.08089	9.5
103.05448	5.4
105.07026	54.6
107.04964	7.1
107.08585	21.8
109.06510	5.7
109.10146	14.9
111.08094	6.4
113.09677	2.8
115.05461	10.5
116.98615	39.7
117.07008	19.9
119.04960	4.4
119.08565	51.7
121.06494	12.8
121.10098	12.4
123.08086	5.3
123.11697	5.1
128.06226	9.8
129.07022	17.7
130.07750	6.8
131.08563	38.3
132.95798	3.7
133.06465	3.0
133.10126	38.1
133.19839	2.8
134.99646	27.7
135.04424	3.0
135.11668	14.2
137.09624	6.3
137.13255	8.1
140.00182	3.5
141.06995	11.1
142.07758	3.7
143.08537	14.4
144.04553	3.0
144.05678	3.6
144.09305	8.7
145.06474	15.2
145.10124	32.7
146.99669	3.1
147.11716	7.2
150.96884	9.1
153.00658	4.0
153.06987	5.4
154.07755	13.0
155.04825	3.0
155.08531	10.0
156.09355	5.3
157.06462	3.8
157.10112	8.6
158.01248	4.1
158.07233	8.4
158.99651	13.3
159.04372	4.0
159.08031	16.3
159.11681	35.4
161.13245	44.6
161.14468	4.7
169.06432	3.1
169.10097	27.6
171.08055	5.4
171.11693	6.0
172.08777	7.8
173.05902	6.2
173.09627	26.8
173.13245	9.8
175.14793	16.4
177.00720	32.9
179.08559	7.2
179.14272	19.5
181.06451	4.5
182.07224	5.3
183.04395	3.8
187.07529	9.1
187.11157	56.3
197.09552	20.0
197.13396	2.9
197.15300	6.7
200.02274	3.3
206.08826	3.0
215.03577	3.8
215.07063	10.6
215.08958	4.3
215.10683	60.4
215.14035	17.3
215.17957	17.0
219.01628	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	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
55.05509	22.2
55.34587	1.9
56.96557	2.4
57.03428	3.6
57.07073	14.5
67.05480	6.9
69.07053	8.5
69.26035	24.5
71.04982	2.6
79.05482	8.7
81.07046	10.9
83.04979	10.3
83.08597	2.2
85.06535	8.0
88.07615	2.1
89.03878	1.9
91.05469	8.8
93.07043	26.7
95.04974	4.1
95.08621	17.0
97.06518	8.0
98.21543	3.5
105.07022	6.8
107.04948	3.0
107.08589	21.4
109.06522	6.8
109.10173	4.6
111.04437	100.0
111.05209	4.9
111.08083	5.6
113.05990	3.2
117.07035	3.0
119.08560	3.7
121.06521	4.8
121.10154	2.3
125.05991	31.3
127.07496	3.4
129.06985	3.9
130.07704	2.2
135.08044	17.0
135.11670	17.6
139.07520	7.6
141.06966	2.4
142.07755	4.0
143.08556	7.2
145.10106	17.3
153.12775	5.8
156.09427	3.4
157.10118	9.8
163.11168	23.0
167.06992	2.0
171.11681	6.4
181.12236	36.2
185.13283	2.5
195.13786	6.2
204.78979	2.0
208.32816	2.1
213.09203	3.0
213.12889	4.1
213.16377	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	213.1848
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.62781	2.4
55.01869	2.7
55.05504	17.5
56.96556	3.8
57.03419	5.0
57.07067	6.0
59.04981	2.6
59.92102	2.2
64.43728	2.6
67.05135	2.6
67.05499	52.5
67.25252	2.1
69.03421	3.1
69.07068	32.7
70.06577	3.0
71.04990	43.9
71.57663	3.7
79.05485	15.7
81.06586	4.0
81.07053	68.6
83.04948	5.6
83.08603	13.1
85.06527	9.5
88.07627	3.0
88.40861	2.2
91.05482	7.8
93.07037	24.8
95.04945	4.4
95.08601	34.3
97.06546	3.2
97.10173	7.4
98.97526	3.2
99.08055	7.0
103.05422	4.5
105.07008	7.5
107.04941	34.4
107.08594	30.7
109.10150	100.0
111.08025	4.3
117.06962	2.9
119.08551	4.5
120.07244	2.4
121.10136	37.6
123.04427	3.6
123.11679	16.9
124.48328	2.2
125.09623	7.4
127.11203	3.1
128.06184	3.9
129.06987	3.1
130.85121	2.3
131.04817	2.8
131.08591	2.8
134.99667	2.3
135.08054	7.0
135.11736	14.5
135.12575	2.4
137.13231	10.2
139.11139	2.5
141.05444	2.9
141.06949	2.9
143.08569	3.1
149.13303	4.1
153.01787	3.6
153.07158	2.1
153.12737	10.3
154.06151	3.4
156.09302	4.9
157.10124	5.8
163.07617	11.5
167.07039	52.5
171.11674	7.9
177.16373	27.8
185.05928	3.3
185.09665	2.6
195.10178	6.7
195.17427	26.1
213.05496	6.8
213.09109	7.4
213.12695	5.7
213.16415	13.4
213.18500	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	213.1121
Annotation	Striatisporolide A
Peak:m/z	Relative Intensity
50.20849	1.2
53.03954	6.0
55.01874	15.9
55.05516	9.3
57.03440	20.3
67.05504	17.4
69.07083	1.5
70.82931	2.4
75.04485	1.8
79.05497	15.8
81.07035	1.3
83.08615	7.6
91.05482	27.8
93.07043	100.0
95.04974	12.1
95.08609	12.0
97.06540	4.8
97.33612	1.4
105.04532	2.3
111.08085	20.5
119.03410	4.4
121.06528	10.0
129.05467	4.2
137.93222	1.6
139.07542	37.7
139.92241	1.3
157.10161	1.4
171.11697	2.8
182.95171	1.2
213.09230	2.1
213.11215	4.6
213.12975	7.7
213.16237	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.112
Annotation	Striatisporolide A
Peak:m/z	Relative Intensity
51.02380	0.7
53.03942	4.8
55.01874	16.1
55.05510	7.4
57.03437	19.7
57.14265	0.4
61.11193	0.4
65.03931	1.0
66.30605	0.4
67.05507	16.1
69.03429	2.7
69.07059	1.0
69.87008	2.4
71.04999	0.6
73.02926	0.9
75.04485	1.7
77.03912	0.8
79.05492	20.8
81.03405	0.7
81.07027	0.7
83.04980	1.4
83.08619	6.5
88.07623	0.6
91.04898	1.0
91.05482	27.4
93.07043	100.0
94.07365	1.1
95.04366	0.6
95.04968	12.3
95.08607	12.7
97.06529	5.9
98.21431	0.4
101.25819	0.4
103.05489	0.5
105.04504	2.3
111.08080	22.5
119.03426	5.0
121.06511	10.0
128.06206	0.4
129.05476	4.7
139.07538	43.1
140.07938	0.4
143.08615	0.6
157.08675	0.8
157.10094	0.5
171.11636	0.9
195.10242	0.6
213.11195	5.8
213.13031	0.5
213.16357	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
51.02378	0.6
53.03931	1.9
53.56661	0.5
55.01854	2.4
55.05304	0.4
55.05505	4.9
56.96544	0.6
57.03430	0.9
57.07070	3.0
67.05509	3.6
69.03437	1.2
69.06717	0.7
69.07059	6.9
71.04984	1.3
71.08633	0.9
71.58007	0.5
71.58454	0.8
71.80634	0.6
77.72480	0.6
78.04710	3.2
79.05486	12.9
81.03408	0.7
81.07053	6.3
83.04965	1.3
83.08597	1.3
83.16828	0.6
85.06551	2.9
91.05480	5.9
93.07043	5.5
93.49186	0.6
95.04971	4.3
95.08617	5.3
97.02894	0.5
97.06509	1.8
97.10136	1.2
98.97555	0.7
99.08115	1.0
103.05459	10.7
105.03383	0.8
105.07023	7.5
106.04144	1.5
107.04951	65.2
107.08592	3.4
108.05275	1.2
109.06493	1.5
109.10137	2.7
111.04459	0.7
111.08057	1.8
115.05447	6.3
117.07014	1.9
119.04930	0.7
119.08639	0.9
120.05685	3.1
121.06535	1.3
121.10134	2.1
121.59367	0.5
121.64608	0.7
122.03674	0.7
123.04430	7.4
123.11685	0.9
124.05220	4.2
125.05963	2.0
125.09599	0.8
128.06219	1.8
129.06989	2.0
131.04901	2.4
131.08543	0.8
133.02792	0.8
133.06480	1.0
134.03601	1.1
135.04352	0.8
135.08043	17.9
135.11671	0.7
137.05928	1.8
139.03862	0.9
139.07541	0.6
139.11270	0.7
140.04700	0.7
141.06973	1.5
142.07774	2.8
143.08548	5.1
145.06543	0.6
145.07614	1.4
145.10135	1.2
147.04330	1.5
149.05905	0.9
149.13220	0.7
151.03925	1.9
152.04681	2.4
152.06044	0.6
153.01804	1.0
153.05437	0.7
153.06998	1.1
154.06273	3.5
154.07439	0.7
155.08549	1.1
156.09334	2.2
157.06451	1.1
157.10115	5.6
163.07539	25.3
164.29974	0.5
165.05540	0.8
165.06929	1.2
167.07034	100.0
168.07353	1.8
169.10172	1.3
171.08040	0.7
171.11700	6.4
180.07811	3.9
180.09267	1.0
183.11662	0.7
185.05908	0.8
185.09624	2.1
185.13297	1.4
195.08287	0.8
195.10149	12.4
195.11716	1.0
195.13857	1.3
195.17513	1.1
213.05490	1.7
213.09407	3.1
213.11111	1.3
213.12965	3.9
213.16405	9.5
213.18367	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.3
51.24409	0.9
52.57528	0.9
53.03944	6.1
53.18503	1.0
55.01624	1.6
55.01873	19.8
55.05515	7.6
56.96543	0.9
57.03437	20.7
65.03941	1.3
67.05505	18.6
67.48011	0.8
69.03435	2.4
69.07073	2.1
69.48013	4.5
69.48425	3.0
73.02910	1.1
74.24902	0.8
75.04474	3.0
79.05495	23.6
79.05962	1.1
81.03390	1.2
81.07050	1.2
83.04998	1.9
83.08608	8.9
88.07612	1.8
91.05482	30.4
93.07046	100.0
95.04979	12.0
95.08606	14.6
97.06512	5.9
105.04495	2.2
107.04981	1.1
107.08594	1.3
111.07376	1.3
111.08087	21.3
114.05746	0.9
117.80437	0.9
119.03403	5.3
121.06503	14.3
121.10138	1.2
129.05490	4.1
129.07005	1.0
139.07539	49.4
140.07857	1.1
143.08577	2.0
156.09407	1.8
157.10135	3.2
171.11736	2.8
185.09706	1.1
185.13182	1.3
195.10106	1.4
198.10396	1.0
213.11063	6.4
213.13048	1.6
213.16420	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	213.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.01865	1.6
55.05500	2.6
57.03432	1.0
57.07073	1.0
67.05511	1.4
69.07053	2.6
71.02845	1.1
71.08611	1.1
71.84925	0.6
72.85307	0.6
75.53389	0.6
78.04715	3.7
79.05489	10.6
81.07046	4.1
88.07596	1.0
91.05482	5.8
93.03359	0.8
93.07039	2.8
94.86720	0.7
95.04984	3.1
95.08595	2.5
97.06506	0.9
99.08060	0.6
103.05472	9.6
105.07034	8.8
106.04145	1.1
107.04953	65.4
107.08581	2.6
108.05288	0.6
109.06511	0.9
109.10178	0.8
111.04425	1.1
111.08101	1.0
114.81523	0.6
115.05442	3.8
116.06089	0.6
117.07012	1.9
118.31046	0.6
120.05731	1.8
121.06485	1.1
121.10127	1.1
123.04437	7.1
124.05208	4.6
125.05975	1.3
128.06216	0.8
129.07021	1.0
131.04930	2.7
133.06474	1.2
134.03659	0.9
135.08051	16.0
137.05914	0.9
139.03897	0.7
142.07773	1.8
143.08566	1.0
145.07671	0.8
145.19452	0.6
145.57045	0.6
147.04391	0.9
149.05981	0.9
151.03903	1.9
152.04698	2.9
152.60933	0.6
153.01834	1.3
154.06256	2.3
155.08496	0.6
157.10173	2.9
163.07550	25.0
165.05516	0.8
167.07040	100.0
168.07358	1.9
171.11694	2.8
180.07892	3.7
180.09180	0.7
195.08311	1.3
195.10167	10.7
195.11856	0.9
198.05194	0.7
213.09200	1.4
213.11247	1.8
213.16452	4.3
227.12758	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.112
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03934	2.3
55.01870	2.9
55.05500	1.1
56.96554	2.1
57.03433	1.3
67.05487	2.9
68.60139	0.8
69.03429	1.5
69.07048	1.4
70.06586	1.7
70.71103	3.0
72.04513	1.1
73.02897	1.0
78.04698	4.1
79.05127	0.9
79.05494	10.8
81.07051	1.7
83.04984	1.5
85.02866	1.2
91.05494	6.2
93.07037	9.0
93.48897	0.9
95.04990	4.8
97.06537	1.0
98.97575	1.3
103.05471	8.8
105.07027	6.4
106.04148	2.0
107.04953	62.9
107.08607	1.6
111.04427	1.4
111.08078	2.6
115.05434	4.2
116.98631	1.7
117.07027	1.9
119.08585	1.5
120.05733	1.5
121.06490	2.2
121.10140	1.0
121.15717	0.9
123.04423	7.9
123.08053	1.1
124.05206	3.2
125.05993	1.7
128.06163	1.0
128.10707	0.9
129.07054	1.3
131.04929	3.3
135.08054	15.4
137.05927	1.8
139.03923	1.3
139.07536	3.1
145.07584	1.4
147.04391	1.4
148.05171	1.2
149.09642	1.0
151.03854	2.3
152.04695	2.8
153.01826	2.9
153.05487	1.0
154.06248	3.3
163.07541	24.9
165.05423	1.2
167.07039	100.0
168.07343	1.7
180.07800	2.6
185.09583	1.7
195.10164	13.0
204.91705	1.0
213.09273	1.8
213.11209	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	213.112
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03943	1.1
55.01877	1.6
55.05501	0.7
56.96565	1.8
57.03426	0.7
61.02920	0.6
65.03937	0.7
67.05518	1.0
69.03426	1.2
69.07058	0.8
69.40170	3.2
69.40584	1.0
70.06590	0.6
71.04997	0.6
77.03948	0.4
78.04711	3.0
79.05494	11.8
81.03439	0.6
81.07061	1.4
83.07345	0.4
91.05470	4.7
93.03404	0.6
93.07053	1.4
95.04965	3.9
95.08595	0.9
95.97118	0.4
96.27296	0.4
97.02866	1.0
98.97595	2.2
103.05463	10.4
105.03400	0.8
105.07033	6.4
105.07703	0.8
106.04169	2.3
107.04952	64.0
107.08603	1.3
108.05248	0.6
109.06533	1.3
111.04462	1.0
111.08084	0.7
115.05444	4.0
116.98615	2.2
117.07005	1.5
119.04966	0.7
120.05753	2.4
121.06491	0.9
121.10126	0.7
121.60345	0.4
122.03655	0.9
123.04425	7.2
124.05225	4.8
125.06002	2.6
128.06239	0.4
129.07060	0.5
131.04939	2.5
133.02884	0.7
133.06473	0.8
134.03658	0.5
134.99655	1.3
135.08057	14.7
136.08438	0.5
137.05986	1.4
139.03889	1.3
139.07637	0.7
145.07578	0.8
146.99652	0.6
147.04439	1.2
149.05981	1.2
149.09554	0.5
151.03897	3.0
152.04683	3.0
153.01817	0.8
154.06238	2.9
157.10103	0.6
161.01332	0.8
163.07542	24.0
164.07967	0.5
165.05472	1.1
167.07033	100.0
168.07382	1.9
171.08163	0.5
177.00737	1.0
180.07816	3.5
181.07556	1.8
185.09636	0.4
195.10179	12.4
213.09157	0.8
213.11105	1.1
213.12914	0.6
213.16408	0.9
214.08662	0.5
218.97069	0.5
223.09138	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	0.5
53.03946	1.4
54.07870	0.4
55.01866	1.3
55.05520	0.9
56.96557	0.7
57.74424	0.5
65.03933	1.0
66.04727	0.6
67.05482	1.1
69.03423	1.0
69.07059	0.6
69.26718	5.6
70.06560	0.6
78.04697	3.5
79.05485	10.9
81.03407	0.6
81.07029	2.1
85.02883	0.6
91.05477	5.8
92.03474	0.5
93.07045	1.5
95.04946	4.3
96.11131	0.4
103.05464	9.6
105.03432	0.5
105.07022	7.5
106.04167	2.4
107.04948	64.5
107.08567	1.0
108.05258	0.6
109.06496	0.8
110.03654	0.6
111.08073	0.6
114.85014	0.4
115.05442	4.1
117.07014	1.4
119.04922	0.8
119.05831	0.5
119.08532	0.7
120.05707	2.7
121.06473	1.7
122.03664	1.0
123.03571	0.6
123.04430	7.9
124.05203	4.1
125.05965	1.7
129.06969	1.0
131.04956	2.1
133.06471	1.4
134.03632	0.8
135.04436	0.5
135.08043	14.3
137.05960	1.3
139.03909	0.9
141.06981	0.6
142.07770	1.0
143.08510	1.0
145.06477	0.6
145.07529	0.8
147.04367	1.3
148.05190	0.5
149.05922	0.9
151.03929	1.1
152.04668	3.0
153.01855	0.6
153.06912	0.7
154.06233	2.9
155.08562	0.8
157.06529	0.5
157.10126	1.1
163.07530	27.2
165.05594	0.9
165.06978	0.8
166.07661	0.5
167.07027	100.0
168.07341	1.7
170.07187	0.5
171.08049	1.0
171.11642	1.0
180.07825	4.7
180.09253	0.7
185.09538	1.0
185.13147	0.9
195.10161	12.7
195.11877	1.1
196.10565	0.7
198.10257	0.6
213.09090	1.3
213.10893	0.6
213.12770	3.2
213.16470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0919
Annotation	CJ 14877
Peak:m/z	Relative Intensity
53.03938	0.9
55.01833	2.5
55.05478	1.2
55.80745	0.5
56.05014	0.8
56.96566	19.6
57.03433	3.9
58.99819	0.8
59.04977	1.0
61.02874	2.5
62.68834	0.6
65.03900	1.3
67.05476	1.5
68.04992	1.7
69.03436	5.7
70.06562	2.2
71.01300	0.6
71.04942	1.8
71.57485	1.0
71.94080	1.5
71.95236	1.0
72.08128	0.7
73.02917	4.7
74.97557	0.6
79.05447	1.5
80.04983	0.9
81.03416	3.3
83.04942	1.2
84.08092	1.7
84.95990	1.4
85.02905	6.4
85.06496	0.7
87.04433	1.3
89.00726	0.9
90.01530	0.7
91.05481	7.2
92.04970	0.7
92.05795	1.2
93.03374	1.4
95.04928	2.0
95.07307	0.7
96.08086	0.8
97.02303	0.7
97.02891	8.4
97.07596	0.6
98.06025	1.3
98.97570	6.6
99.04412	1.1
100.07603	0.9
101.00854	1.8
103.02377	0.6
103.05433	0.9
106.06517	0.8
107.04911	1.3
108.08055	0.8
109.02831	2.8
110.05943	1.0
110.97507	0.7
111.04397	1.5
112.07610	2.9
112.96666	0.8
115.02396	0.7
116.98624	6.0
119.01904	11.8
119.04235	0.8
119.04940	8.9
120.01991	1.2
120.04412	1.1
120.05214	1.0
120.08060	2.5
121.01614	1.2
122.03596	1.8
122.05990	0.9
123.04424	1.0
123.06763	1.8
124.07583	3.1
125.05984	0.9
127.03897	1.4
128.02351	1.5
128.98587	1.7
131.00182	1.0
131.01865	2.0
133.01639	0.7
133.03522	1.3
134.06012	21.4
134.99669	7.4
136.07576	5.6
137.02939	4.4
137.05991	9.7
137.08305	2.8
138.05455	2.6
138.06372	1.1
138.09140	1.3
139.03897	0.8
140.02328	0.7
140.04900	1.1
140.07031	1.5
142.03487	0.8
143.00163	0.9
143.01884	4.5
144.02292	0.7
145.01657	1.4
145.03421	2.6
146.99619	3.8
147.04398	12.0
148.03868	2.6
148.04865	1.0
148.07570	6.4
149.01225	1.5
149.02295	0.7
151.04088	0.6
151.07550	0.8
152.07060	33.6
153.00645	1.6
153.01813	2.5
153.05409	1.6
154.03607	0.9
155.01785	1.1
158.06616	1.6
158.99634	1.4
159.03273	0.8
160.97510	0.9
161.01340	3.2
161.02960	11.0
162.03050	2.1
163.02679	2.0
163.04524	0.9
165.00650	0.8
166.04991	2.1
166.08635	34.9
167.03497	0.7
168.06526	1.5
172.95094	0.6
173.02927	1.3
174.00699	0.8
175.04376	1.2
176.07024	6.5
177.00700	1.6
177.02054	1.1
177.04128	0.9
179.02277	0.9
179.07014	3.0
181.05600	0.7
184.04510	1.0
184.09727	5.7
185.02985	1.4
188.07657	1.6
188.92474	0.7
189.00691	3.1
189.02324	1.2
190.96313	0.7
191.02225	0.9
194.04514	15.0
194.08125	100.0
195.02904	3.1
195.04945	2.5
195.08459	2.2
201.00711	0.8
206.98195	0.8
207.01717	1.1
212.03777	0.9
212.05577	3.6
212.09189	40.0
212.12497	1.5
213.05933	1.0
213.09561	0.8
219.01733	1.3
219.05121	2.0
221.05034	1.7
223.04784	0.6
230.08784	2.0
231.01863	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03936	6.8
55.01859	8.1
55.05503	33.9
57.03422	8.6
57.07056	9.9
59.04983	10.8
60.00975	2.4
62.73683	2.2
67.05501	45.0
69.03420	9.6
69.07063	33.6
71.04980	24.9
71.37319	4.9
75.31956	2.5
78.04726	4.2
79.05476	22.6
81.03433	4.9
81.07048	56.6
83.04964	21.5
83.08604	16.6
85.06522	10.9
87.04428	4.6
88.39790	2.5
91.05466	29.9
93.07031	68.3
95.04959	30.2
95.08598	88.2
97.06523	19.3
97.10119	5.0
99.04440	23.7
99.08085	7.3
99.43858	2.5
102.74648	2.5
103.05450	8.0
105.04442	2.6
105.07022	26.5
107.08585	54.5
109.06505	12.1
109.10149	100.0
111.08078	23.7
112.42886	2.2
113.05991	8.3
113.09604	5.7
119.04976	2.6
119.08572	45.9
121.06489	9.9
121.10126	19.0
123.04424	21.1
123.08034	6.7
123.11709	28.0
125.09615	14.3
127.07609	2.8
131.08556	2.5
133.06479	6.4
133.10126	56.7
135.11670	50.0
137.06007	11.0
137.09608	27.5
137.88242	2.4
138.05472	4.1
139.11139	2.5
140.04645	2.5
141.09077	3.2
147.04390	3.1
147.11664	6.1
149.05989	18.7
149.13228	8.1
151.03886	8.8
151.07516	4.4
151.11143	5.3
151.14795	4.2
153.05392	3.7
153.12773	6.3
155.10635	11.5
165.01851	4.4
165.16443	11.4
167.07018	57.4
167.14343	5.3
167.41289	2.1
172.14432	2.4
175.14799	44.1
179.03404	9.4
179.07077	3.6
181.08568	14.9
183.07932	2.6
189.31302	2.3
193.08560	2.5
193.15909	18.5
199.32918	2.7
211.05992	7.2
211.09544	3.1
211.16920	61.9
229.94458	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00348	2.2
53.03939	5.0
55.01862	7.6
55.05507	17.6
56.96556	3.0
57.03430	7.3
57.07065	7.5
59.04987	3.8
65.03957	2.4
67.05174	3.0
67.05508	33.7
69.03439	11.2
69.07065	16.2
71.04990	49.1
71.08639	2.6
78.04725	2.5
79.05492	21.7
81.03408	9.0
81.07056	42.9
83.04989	11.9
83.08623	8.8
85.02885	2.5
85.06533	7.1
91.05486	25.5
91.17425	2.0
93.07041	24.1
95.04955	18.7
95.08054	3.7
95.08600	39.6
97.06537	7.0
97.10168	5.0
99.04448	4.8
99.08086	5.4
103.05469	9.3
105.07034	30.2
107.08594	26.7
109.02852	2.5
109.06567	9.8
109.10155	44.0
110.03709	2.2
111.04440	4.5
111.08056	4.4
113.06025	2.6
113.09676	4.4
115.05432	2.6
117.07021	3.0
118.04207	5.0
118.09779	2.2
119.04967	9.9
119.08592	28.8
121.06492	14.1
121.10114	8.9
123.04436	66.4
123.08067	14.7
123.11700	19.4
125.09637	14.1
127.11199	2.1
133.06512	10.9
133.10135	34.4
135.04436	3.3
135.08034	3.1
135.11708	29.1
137.05954	7.3
137.09628	9.6
139.11237	4.0
141.06955	2.7
147.04439	7.5
147.08055	2.6
147.11649	7.9
147.87729	2.1
149.05960	13.4
149.09567	2.0
149.13309	3.5
150.06705	6.1
151.03908	6.9
151.07547	36.3
151.11211	5.7
151.14755	2.7
152.04625	2.1
153.05444	3.3
153.06953	2.7
153.12781	2.8
154.07698	3.6
155.08543	6.8
155.10637	4.6
161.05959	2.6
165.06984	3.2
165.09088	3.0
165.16432	2.0
166.06230	2.4
167.07037	37.6
167.08423	3.4
168.05775	3.5
168.07436	2.8
169.10127	6.7
170.10716	2.1
175.07523	2.3
175.14819	26.8
179.07028	100.0
180.07399	3.6
181.08604	6.9
181.10054	2.9
183.08049	4.0
183.11569	3.9
187.29720	2.2
193.08565	12.9
193.15889	7.8
195.08063	1.9
196.12500	4.0
205.98946	2.9
211.02364	2.8
211.07536	6.5
211.09648	10.8
211.14871	7.1
211.16917	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
50.58936	1.1
53.03934	3.7
53.64845	1.3
55.01857	4.1
55.05270	1.4
55.05512	25.1
57.03427	4.1
57.07067	4.8
59.05000	1.7
65.03937	1.9
67.05502	41.5
69.03432	12.5
69.07067	19.3
69.27663	1.2
70.71501	3.6
71.04994	6.8
71.08597	1.6
74.79933	1.1
78.63348	1.2
79.05487	15.6
79.34454	1.2
81.03416	20.9
81.07056	45.4
83.04983	18.8
83.08607	13.9
85.06536	5.3
91.05472	15.7
93.07040	18.7
95.04965	13.0
95.08602	45.9
97.06532	3.8
97.10179	3.5
99.08082	4.2
99.48179	1.2
103.05437	1.8
105.07029	12.7
107.04953	2.0
107.08589	29.4
109.06522	16.0
109.10154	100.0
110.10501	1.6
111.08063	7.1
112.44836	1.2
119.08579	29.1
121.06528	2.4
121.10139	13.6
123.04420	9.1
123.08064	15.7
123.11723	9.7
127.11183	1.5
129.07028	2.5
131.08546	3.5
133.10124	21.2
135.11684	61.9
137.06013	1.6
137.09621	18.0
139.11191	2.4
147.11671	5.6
149.05960	3.2
149.09590	1.6
149.12135	1.3
149.13217	6.2
151.07541	3.5
151.11188	10.7
151.14813	12.3
153.12712	1.7
155.08484	1.4
157.10075	2.7
158.27159	1.4
165.12854	1.5
165.16443	1.7
167.07040	8.3
169.10225	1.5
173.62944	1.3
173.85777	1.2
175.11220	2.6
175.14818	19.0
179.07040	13.9
183.11676	2.0
184.21312	1.4
193.08589	1.4
193.12253	4.4
193.15895	13.7
196.10698	1.3
196.12448	2.9
205.44679	1.2
211.11372	1.6
211.13135	1.8
211.14929	2.8
211.16795	1.9
213.06026	1.2
213.83022	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03934	4.6
55.01865	7.3
55.05508	22.0
57.03422	6.9
57.07058	12.2
67.05499	49.0
69.03409	11.9
69.07058	21.7
70.62546	10.9
71.04986	18.9
71.08636	4.9
79.05478	15.7
81.03404	10.4
81.07048	53.5
83.04958	14.7
83.08615	13.4
85.06532	7.6
86.09792	3.7
91.05470	18.9
93.07031	26.9
95.04963	13.6
95.08601	58.3
97.06512	5.2
99.04453	12.4
99.08076	4.4
103.05453	7.6
105.07014	23.2
107.08586	30.1
109.06505	14.1
109.10146	100.0
111.08062	9.3
113.09638	4.4
119.04948	6.0
119.08569	25.9
121.06490	6.5
121.10149	17.8
123.04433	43.5
123.08086	17.4
123.11710	9.2
125.09645	5.4
129.07018	4.5
133.10144	26.6
135.11678	69.0
137.05957	8.0
137.09615	13.2
147.04411	5.5
147.11656	5.6
149.05992	8.2
149.13214	7.0
151.03798	3.9
151.07547	19.3
151.11151	14.3
151.14790	12.8
165.53418	4.2
167.07040	26.0
175.14803	17.5
179.07040	61.0
193.08624	9.9
193.15889	16.6
196.12535	5.6
211.07608	4.6
211.09578	4.1
211.14709	7.3
211.16762	4.8
219.62878	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03934	2.6
54.81204	0.9
55.01859	2.5
55.05267	1.4
55.05510	17.2
57.03428	3.5
57.07068	5.3
59.04985	2.4
65.03933	2.2
67.05501	34.0
69.03431	10.9
69.06731	1.3
69.07068	20.6
70.15957	1.7
70.16312	4.1
71.04993	8.5
71.08605	1.7
71.62148	0.9
79.05486	8.5
81.03403	3.0
81.07051	35.4
83.04976	15.0
83.08620	12.9
85.06538	5.3
90.32939	1.0
91.05481	11.2
93.07042	17.8
95.04974	6.9
95.08601	45.2
97.02898	1.3
97.06506	3.9
97.10156	3.6
99.04446	1.5
99.08089	3.9
103.05466	2.4
105.07015	13.7
107.04938	1.1
107.08585	23.7
108.05715	1.2
109.06522	16.0
109.10152	100.0
110.06793	1.0
110.10498	2.0
111.04417	1.2
111.08066	5.6
113.09633	2.1
119.04916	1.3
119.08570	22.1
121.06490	4.7
121.10126	12.8
123.04425	10.3
123.08063	16.9
123.11694	12.8
125.09618	2.5
129.06990	1.7
131.08592	1.6
133.06473	1.9
133.10121	19.4
135.11685	56.0
137.05981	2.6
137.09622	16.0
137.13182	1.6
139.11182	2.5
147.04398	1.5
147.11639	3.4
149.05988	4.2
149.13264	5.6
151.03857	2.2
151.07527	5.4
151.11186	9.7
151.14807	10.9
153.06969	2.0
153.12697	2.5
154.07730	1.0
155.08546	2.4
161.60663	1.0
165.16420	2.5
166.06352	0.9
167.07043	18.8
167.08438	1.3
169.10175	2.9
175.14822	19.6
179.07028	14.0
181.08563	3.2
181.10092	1.8
183.07965	1.3
183.11679	2.0
193.08612	2.1
193.12148	1.4
193.15889	14.9
196.12514	1.4
211.07578	2.2
211.09406	1.5
211.11208	2.6
211.14847	2.8
211.16914	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
55.05516	18.7
57.07056	3.5
59.80189	2.7
67.05507	27.4
69.03414	6.3
69.07073	19.1
71.04999	15.0
71.12285	5.2
71.12616	3.8
79.05470	7.4
81.07048	34.6
83.04971	13.0
83.08630	7.2
91.05462	2.9
93.07032	14.9
95.08595	43.7
97.06568	3.5
99.04448	15.0
105.07001	5.2
107.08589	24.8
109.06512	11.4
109.10151	100.0
119.08575	17.1
121.10131	11.3
123.08066	13.0
123.11694	10.3
133.10104	18.5
135.11688	66.4
137.09616	15.1
149.13274	4.5
151.11163	8.3
151.14839	11.2
153.12717	3.2
163.38907	2.8
175.14803	17.7
193.15826	16.8
211.16951	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	211.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.9
53.70061	4.1
55.01853	12.4
55.05505	30.6
57.03421	19.1
57.07061	10.0
59.04984	8.2
65.03918	5.4
67.05496	47.8
69.03423	14.9
69.07072	39.9
69.55405	18.5
69.55831	19.7
71.04985	23.7
76.73840	3.9
79.05495	31.4
81.03411	10.5
81.07049	60.3
83.04971	32.1
83.08578	10.3
84.81627	4.7
85.02886	11.5
85.06528	18.2
87.04497	4.9
90.03404	4.2
91.05470	66.6
93.07037	70.7
95.04952	31.5
95.08601	65.3
97.02866	8.2
97.06517	19.0
97.10133	6.2
99.04447	15.8
103.05461	13.0
105.07010	40.5
107.04935	7.7
107.08582	49.5
109.06502	30.8
109.10151	84.7
111.04420	5.9
111.08071	25.1
113.06029	6.3
113.09585	5.8
119.01974	5.2
119.04924	21.0
119.08577	33.8
121.06505	22.6
121.10132	13.1
123.04405	29.3
123.08047	15.6
123.11706	21.1
125.05913	5.3
125.09654	11.6
127.03984	6.5
127.07490	5.4
129.06929	5.3
131.08501	8.7
133.06471	11.3
133.10129	64.7
135.08049	7.6
135.11678	32.4
137.05978	36.3
137.09605	33.4
139.07515	6.5
141.07019	6.3
145.10066	4.7
147.04425	55.1
147.08119	5.5
147.11670	15.6
149.05974	34.6
149.09602	4.8
149.13231	5.4
151.07539	14.9
151.11185	31.3
152.04710	5.5
153.05495	12.5
153.06996	4.5
155.06993	10.6
155.08514	7.5
155.10669	6.3
159.04849	5.3
161.06000	6.3
163.03935	12.3
165.05563	7.1
165.06949	5.9
165.09138	5.2
165.16335	10.5
166.06241	8.8
167.07042	100.0
167.08444	10.7
168.07477	4.8
175.11266	10.5
175.14824	20.8
179.07027	18.5
181.04984	5.7
181.06607	6.2
181.08504	23.6
183.06490	21.3
193.04956	4.8
193.08562	8.0
193.10229	4.9
193.12280	12.6
193.15884	16.3
196.07288	21.5
196.08887	6.6
211.09592	28.1
211.11420	8.0
211.13107	9.0
211.16948	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03950	4.2
55.01864	5.9
55.05511	42.8
57.03442	9.3
57.07059	3.9
67.05501	33.8
69.03435	10.2
69.07063	10.2
71.04986	7.0
71.58131	1.7
79.05492	32.7
81.03416	100.0
81.07051	37.5
83.04977	52.5
83.08612	34.2
85.06537	4.5
91.05476	38.7
93.07041	21.8
95.04972	34.4
95.08597	16.7
97.02873	1.9
97.06523	4.3
97.10154	8.1
98.98495	2.2
105.07029	28.8
107.04942	5.1
107.08590	9.1
109.06522	7.4
109.10172	6.5
111.04451	3.9
111.08077	11.7
115.05428	3.3
117.07029	3.3
119.04905	1.7
119.08575	19.3
121.06538	1.7
121.10146	9.2
123.08071	3.8
123.11714	1.6
129.07027	12.5
131.08603	10.7
133.06480	4.3
133.10141	12.4
137.09578	2.7
139.90973	1.7
141.06940	2.9
142.07799	3.6
144.75107	1.5
147.08060	4.0
147.11703	11.5
149.09573	5.0
154.62030	1.5
155.08539	1.9
157.06331	1.4
157.10110	12.3
158.97414	1.8
163.97710	3.2
169.10191	3.2
175.11172	11.2
183.11658	1.6
193.12233	23.0
211.11296	3.3
211.13283	9.0
211.15016	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03938	4.6
53.67889	1.0
55.01865	7.3
55.05508	47.6
57.03435	9.0
59.04995	1.6
65.03922	2.7
67.05501	34.8
69.03416	12.1
69.07056	12.2
71.04985	4.7
71.57650	1.7
79.05486	36.4
81.03411	100.0
81.07047	42.3
83.04974	52.7
83.08613	31.4
85.06539	3.0
91.05476	36.3
93.07032	17.2
93.86774	1.1
95.04962	32.7
95.08591	15.1
97.02901	3.9
97.06514	5.1
97.10160	8.0
99.04476	1.8
99.08066	1.8
105.03407	1.1
105.07019	23.7
107.04958	7.5
107.08595	8.7
109.06523	5.0
109.10128	6.1
111.04443	2.9
111.08074	10.4
115.05460	2.4
117.07056	2.1
119.04968	1.7
119.08574	22.7
121.06499	2.1
121.10138	6.8
123.08067	4.2
123.11720	2.1
125.09591	2.0
129.07004	13.2
131.08551	12.1
132.56384	1.0
133.06488	4.5
133.10103	10.7
135.11670	4.0
137.09612	3.6
141.07016	1.3
142.07777	4.5
145.10074	2.2
146.39958	1.1
147.08041	4.2
147.11682	14.4
149.09573	6.4
155.08536	1.5
157.10117	13.6
165.12727	3.1
167.08640	1.1
169.10103	2.8
175.11174	14.1
189.08821	1.1
193.12228	28.5
193.13869	1.9
196.12430	1.3
211.11447	1.8
211.13130	8.4
211.14880	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.2
55.01864	5.9
55.05511	42.8
57.03442	9.3
57.07059	3.9
67.05501	33.8
69.03435	10.2
69.07063	10.2
71.04986	7.0
71.58131	1.7
79.05492	32.7
81.03416	100.0
81.07051	37.5
83.04977	52.5
83.08612	34.2
85.06537	4.5
91.05476	38.7
93.07041	21.8
95.04972	34.4
95.08597	16.7
97.02873	1.9
97.06523	4.3
97.10154	8.1
98.98495	2.2
105.07029	28.8
107.04942	5.1
107.08590	9.1
109.06522	7.4
109.10172	6.5
111.04451	3.9
111.08077	11.7
115.05428	3.3
117.07029	3.3
119.04905	1.7
119.08575	19.3
121.06538	1.7
121.10146	9.2
123.08071	3.8
123.11714	1.6
129.07027	12.5
131.08603	10.7
133.06480	4.3
133.10141	12.4
137.09578	2.7
139.90973	1.7
141.06940	2.9
142.07799	3.6
144.75107	1.5
147.08060	4.0
147.11703	11.5
149.09573	5.0
154.62030	1.5
155.08539	1.9
157.06331	1.4
157.10110	12.3
158.97414	1.8
163.97710	3.2
169.10191	3.2
175.11172	11.2
183.11658	1.6
193.12233	23.0
211.11296	3.3
211.13283	9.0
211.15016	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.96684	0.7
53.03946	5.6
55.01869	5.6
55.05510	43.8
57.03441	6.6
57.07047	1.4
59.04988	1.4
60.44855	0.8
63.70840	0.7
65.03944	1.4
67.05505	31.7
69.03427	8.5
69.07065	11.8
71.01334	0.8
71.04990	4.2
73.02914	0.8
73.14644	0.7
79.05489	33.5
81.03416	100.0
81.07054	37.1
83.04977	53.2
83.08617	27.6
83.92635	0.7
85.02923	0.8
85.06519	3.5
91.05478	34.1
93.07040	16.1
95.04362	1.7
95.04968	31.7
95.08049	1.3
95.08608	14.6
95.79195	0.7
97.02884	2.3
97.06540	4.8
97.10176	7.5
97.94103	0.8
99.08097	1.4
103.05454	1.0
103.25412	0.7
105.07028	23.0
107.04951	6.7
107.08585	7.0
109.06505	5.8
109.10132	4.7
110.26565	0.8
111.04460	3.1
111.08085	8.7
113.06045	1.0
115.05459	1.4
117.07010	1.7
119.04928	0.9
119.08578	18.6
121.06509	2.8
121.10140	7.3
123.08092	2.3
123.11698	1.8
125.05965	0.8
125.09672	1.2
126.15372	0.7
127.07584	0.8
129.06995	12.0
131.08562	11.4
133.06511	2.9
133.10126	8.3
135.11690	1.6
137.06017	0.8
137.09604	3.3
142.07764	4.2
145.10161	1.3
147.08038	3.5
147.11688	12.3
149.09634	6.4
155.08482	0.7
157.10118	12.5
163.97786	1.0
165.12784	2.3
169.10112	0.8
175.11172	13.9
184.09753	0.8
193.12239	22.1
211.13225	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	211.1326
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
52.68419	1.3
53.03948	6.5
55.01873	6.9
55.05508	56.5
56.96547	3.0
57.03432	14.9
57.07063	4.1
58.40206	1.3
59.04982	3.2
59.76979	1.3
65.03931	3.7
65.39816	1.2
67.05502	39.0
69.03426	12.2
69.07067	14.8
70.83795	1.7
70.84132	3.2
71.01336	2.0
71.04985	7.2
71.08608	2.3
79.05018	1.3
79.05488	46.0
81.03413	100.0
81.07051	51.3
83.04976	54.7
83.08148	2.5
83.08612	36.9
85.02901	2.4
85.06525	3.8
91.05474	45.8
92.06354	1.3
93.07033	23.0
95.04366	2.4
95.04960	43.5
95.08601	27.7
97.02886	3.9
97.06532	7.4
97.10151	8.2
99.04459	2.6
99.08088	2.0
103.05472	3.3
105.04525	1.5
105.07029	30.4
107.04955	11.3
107.08585	16.5
108.56514	1.4
109.06528	9.8
109.10136	14.3
111.04427	3.7
111.08078	12.2
115.05427	1.8
117.07026	1.8
119.04920	3.6
119.08569	22.2
121.06493	5.1
121.10144	11.7
123.04426	18.0
123.08094	7.1
123.11685	3.8
125.05975	1.5
125.09624	3.4
129.06993	14.0
131.08566	12.9
133.06471	4.4
133.10130	12.7
135.07910	1.7
135.11673	5.0
137.05969	4.7
137.09612	6.5
141.07077	1.4
142.07790	3.3
145.10048	2.0
147.04430	3.0
147.08067	2.8
147.11670	16.5
149.05965	3.8
149.09616	6.5
151.03860	1.9
151.07523	10.8
151.11151	2.7
155.08508	1.9
157.10117	15.5
163.97713	1.6
165.09166	1.3
165.12737	3.2
166.06281	1.4
167.07062	17.6
167.08459	3.0
168.07390	1.4
169.10124	4.0
175.11177	15.8
175.14737	2.0
179.07014	26.0
181.08476	2.8
183.11697	2.3
193.10370	2.4
193.12219	29.0
196.12491	2.4
211.11269	2.8
211.13133	12.5
211.14909	3.2
211.16711	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03944	6.6
55.01874	5.9
55.05508	44.2
56.05854	1.0
57.03434	9.7
57.07060	1.3
59.04990	1.8
65.03934	2.8
67.05503	35.7
69.03432	11.3
69.07059	13.3
69.33836	5.1
69.34266	4.9
71.04997	7.3
79.05492	34.9
81.03416	100.0
81.07054	41.4
83.04978	52.6
83.08618	33.9
83.09116	1.8
85.06564	3.2
87.12526	1.0
91.05476	36.8
93.07040	19.7
95.04364	2.3
95.04967	36.3
95.08611	19.6
97.02876	3.0
97.06519	4.8
97.10160	9.7
99.08087	1.6
105.07028	26.1
107.04971	8.3
107.08579	9.1
109.06525	6.4
109.10155	6.4
111.04427	2.8
111.08073	9.1
115.05469	2.1
117.07013	2.0
119.04932	2.4
119.08566	22.2
121.06499	3.8
121.10146	9.4
123.04417	7.4
123.08071	4.5
123.11697	2.3
125.09593	1.5
128.06189	1.4
129.07001	12.7
131.08559	11.9
133.06493	5.8
133.10144	9.9
135.11679	3.0
137.06029	1.6
137.09612	3.1
142.07785	3.9
145.10138	1.6
147.08037	4.0
147.11674	15.6
149.06009	1.7
149.09593	8.9
151.07520	4.0
151.11197	1.9
155.08540	2.9
157.10110	13.0
161.31903	1.0
165.12778	3.6
167.07045	7.2
169.10114	2.5
175.11176	13.8
179.07053	9.2
193.08598	1.2
193.12242	25.6
193.15886	1.3
211.09514	1.0
211.11343	1.8
211.13269	10.4
211.14969	2.0
211.16792	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0963
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03931	1.5
55.01855	2.2
55.05501	1.0
57.03415	0.6
57.07053	0.6
57.60839	0.6
59.04993	1.1
60.70410	0.6
65.03925	1.7
66.04716	0.5
67.05498	4.4
68.99791	1.0
69.03436	1.1
70.75124	1.0
70.75459	0.7
71.05000	0.7
78.79314	0.5
79.05498	5.5
80.58189	0.5
81.07043	2.5
83.04974	1.4
85.02878	0.9
86.30703	0.6
87.24874	0.5
90.28823	0.5
91.05477	10.3
93.07039	2.6
95.04974	8.8
95.08612	3.2
96.71238	0.5
97.06564	0.9
103.05463	3.5
105.03382	0.6
105.07031	9.6
107.04937	1.9
107.08617	0.7
108.05736	0.9
109.02880	1.1
109.06510	1.8
109.10134	2.3
110.03672	2.7
111.04440	0.7
112.83492	0.5
115.05441	0.7
118.04144	2.3
119.04937	6.6
120.05719	0.9
121.02873	1.5
121.06507	3.0
122.07285	0.7
123.04429	55.8
123.08056	5.4
125.09649	0.6
133.06499	7.0
133.10078	0.6
135.04399	0.8
135.11707	0.6
136.05208	2.0
137.05969	2.2
147.04419	5.5
147.11769	0.5
149.05971	3.5
150.06744	2.0
151.03899	3.7
151.07545	30.9
152.07935	0.7
153.09081	1.0
159.48959	0.5
161.05923	1.2
161.07117	2.2
164.04692	0.7
165.09143	2.7
167.07053	6.4
179.07031	100.0
180.07535	2.4
181.08598	1.0
193.08577	4.5
211.09644	9.3
211.13133	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
51.02394	1.2
53.03940	6.1
55.01870	14.2
55.05507	2.2
56.96557	1.2
57.03440	2.1
57.07076	1.7
65.03925	7.2
66.04721	1.0
67.05501	5.8
69.03427	2.2
69.07069	1.8
70.06608	0.9
71.04996	2.5
71.57083	1.3
71.57448	1.3
77.03937	1.7
78.04707	5.0
79.05494	18.6
80.05772	1.0
80.06242	0.8
81.03410	3.2
81.07050	5.2
83.04984	2.6
85.02904	3.5
91.05481	100.0
92.05794	2.0
93.03378	1.1
93.07043	13.6
94.04189	3.0
95.04963	19.3
95.08605	2.2
97.02908	1.5
97.06580	1.8
99.04475	2.4
103.05461	13.8
104.05789	1.2
105.03398	12.2
105.04530	2.1
105.06493	0.6
105.07033	20.2
106.04185	3.0
107.04956	36.6
107.08574	1.9
108.05794	5.1
109.02892	1.9
109.06512	23.4
109.10157	2.4
111.04453	3.0
115.05478	2.2
118.04169	5.2
119.04942	91.4
119.08597	2.7
121.02946	1.1
121.06504	35.0
122.03745	1.1
122.07088	0.9
123.00819	1.8
123.04437	14.0
123.08056	9.9
124.05187	3.5
125.06033	2.0
127.27245	0.8
129.06981	1.2
131.04982	1.4
133.02887	3.0
133.06482	14.3
134.03627	16.2
135.04395	3.3
135.08080	2.5
135.11720	1.2
136.05197	2.5
137.02332	1.2
137.05963	10.9
137.09666	1.7
139.03912	1.5
139.07584	1.2
140.04593	1.5
147.04427	13.4
149.02345	1.8
149.05984	36.4
149.97169	1.2
150.06387	1.7
151.03938	6.9
151.07544	39.7
152.04634	2.7
153.05415	1.3
153.06981	0.9
154.06206	0.9
155.06622	2.5
155.08658	1.3
161.06001	6.8
163.03972	1.8
163.97711	1.0
165.05486	4.3
165.07025	1.2
165.09058	1.6
166.02705	1.4
166.06267	4.3
167.07036	63.4
168.04355	0.9
168.07384	21.2
169.04933	1.2
175.07556	1.0
178.05803	0.9
179.03426	5.2
179.07043	12.3
180.07556	1.5
181.05048	1.8
181.08589	12.7
183.06519	1.3
183.08083	1.9
183.09743	4.8
193.04991	1.7
193.08618	2.7
196.07315	2.4
196.10182	0.9
197.00862	3.7
211.02359	2.1
211.06152	7.1
211.07838	3.0
211.09654	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	211.0962
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03937	2.2
55.01855	1.9
55.05494	1.4
56.78096	0.6
57.71543	0.6
59.52570	0.7
65.03922	2.1
66.04718	0.7
67.05498	5.5
68.99770	0.9
69.03403	1.0
69.07056	1.0
69.75744	3.9
78.04696	1.3
79.05483	8.9
81.03410	1.8
81.07064	4.7
83.04967	0.8
90.03449	3.9
90.04671	0.7
91.05476	14.1
93.03420	1.3
93.07039	4.8
94.04202	0.7
95.04959	10.3
95.08598	5.8
98.20677	1.3
99.08039	0.9
100.99699	2.2
103.05456	7.1
104.06181	0.9
105.03416	1.3
105.07024	19.1
106.04183	0.6
107.04964	3.9
107.08585	3.4
108.05718	1.9
109.02876	1.1
109.06514	2.1
109.10155	2.7
110.03653	2.6
111.04405	1.4
111.08060	0.8
113.09647	0.7
115.05457	1.0
117.06889	0.6
118.04163	5.5
119.04932	9.3
119.08579	5.4
120.05761	1.1
121.02861	1.7
121.04040	0.8
121.06520	4.8
122.07266	1.3
123.04420	57.1
123.08062	5.8
123.11711	1.1
124.05229	1.0
125.06020	0.9
125.09612	1.5
128.00766	81.1
129.01576	1.1
130.62160	0.7
131.04913	0.9
133.06494	10.3
133.10115	9.7
135.04376	2.7
135.08044	1.9
135.11676	4.8
136.05168	1.6
137.05933	5.3
137.09599	1.0
143.01804	1.1
146.01828	1.4
146.03618	1.3
147.04390	6.6
148.05185	0.9
149.05997	4.8
150.06754	4.7
151.03922	5.1
151.07529	32.8
161.05954	1.7
161.07077	1.7
165.05511	0.8
165.06993	0.8
165.09111	5.2
166.06332	1.0
167.07025	13.3
168.07570	0.8
170.02959	2.4
175.14798	5.9
178.06242	0.8
179.07024	100.0
180.07500	2.8
181.08592	1.5
193.08588	12.2
193.15915	0.9
194.02913	1.1
196.08807	1.0
197.04463	3.5
211.05585	7.0
211.09589	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	211.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01866	1.7
55.05504	1.5
56.96559	2.4
57.03415	1.9
62.87599	0.6
65.03935	0.8
67.05488	2.8
69.03413	1.3
69.07053	2.7
71.04998	0.9
71.56923	1.1
78.04695	4.9
79.05482	4.7
81.03410	2.8
81.07045	2.3
83.04964	1.6
84.96006	0.8
85.02900	1.0
85.06512	0.6
91.05471	16.3
93.07045	12.7
95.04971	7.5
95.08587	2.5
97.02885	1.4
98.97578	0.9
103.05466	12.0
105.03386	1.8
105.04511	1.2
105.07042	5.8
106.04154	2.6
107.04980	3.1
108.95835	0.7
109.02903	1.0
109.06520	2.2
109.10140	2.5
111.04440	0.7
112.03975	0.9
115.05519	0.8
119.01883	0.8
119.04916	2.5
119.08599	1.2
121.05658	1.3
121.06501	20.7
123.03566	1.1
123.04422	12.4
123.08021	1.4
124.05199	4.9
127.03901	0.9
128.98621	1.1
131.06023	1.2
133.02876	0.8
133.06468	4.3
134.99684	1.5
135.11635	1.0
137.06021	3.2
146.99698	1.1
147.04517	1.1
147.54253	0.6
149.05974	32.1
150.06563	0.7
151.03905	6.2
151.07568	0.8
152.04660	2.8
152.07059	0.7
161.05954	4.3
163.97704	2.3
165.05463	3.1
166.06238	6.9
167.07036	100.0
168.07393	2.6
179.03473	0.9
180.07826	2.9
181.08582	22.3
181.98756	1.9
184.09654	1.2
193.08655	1.0
205.98741	3.5
211.05957	1.0
211.09612	1.9
212.05446	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0761
Annotation	3-Carbamoyl-2-phenylpropionic acid
Peak:m/z	Relative Intensity
53.03934	1.6
55.01855	1.6
55.05501	0.6
56.05014	1.3
56.86848	0.4
56.96553	1.0
57.61087	0.4
61.02915	0.4
62.84591	0.4
62.97453	0.4
63.91648	0.4
65.03928	1.4
66.04668	0.4
67.01856	2.5
67.05494	1.2
68.05028	0.4
68.99770	1.4
69.07066	0.5
69.93890	0.4
77.03928	0.9
78.04690	1.0
79.01853	0.4
79.05478	3.0
80.05016	0.8
81.00341	0.4
81.03397	1.7
81.07072	0.7
82.06564	0.6
83.04988	0.5
84.04481	1.6
85.02908	0.5
91.04965	0.6
91.05487	8.2
92.05789	0.6
93.03407	0.8
93.07036	5.4
94.06586	2.3
95.01321	1.8
95.04964	4.0
97.02879	0.5
97.06547	0.5
98.06977	0.4
103.05456	3.6
105.03390	2.9
105.04488	0.5
105.07010	1.0
106.04148	1.2
107.04990	4.2
108.04479	0.6
109.02853	1.3
109.06503	1.6
110.03639	1.0
111.04409	0.9
112.03953	1.5
112.07584	1.0
112.62832	0.5
119.04951	3.0
121.05209	0.8
121.05604	0.6
121.06502	11.0
122.02419	0.5
122.06013	3.9
122.06858	1.1
123.00794	2.5
123.04424	3.4
124.03916	0.4
124.05196	0.8
125.05987	0.6
126.05516	0.8
127.03989	0.5
131.04929	0.6
132.04402	0.6
133.02858	3.9
134.03636	9.6
135.04361	1.4
136.03885	1.1
136.04819	0.5
137.02362	2.4
137.05992	1.9
138.05444	0.6
139.03900	1.8
139.06245	1.1
139.07436	0.8
140.03410	4.8
143.01234	1.1
143.76361	0.4
147.04422	1.4
148.03944	0.5
149.02342	0.5
149.04701	7.4
149.05942	3.6
150.02747	1.0
150.05460	6.3
151.03912	5.7
151.06262	2.7
151.07535	2.1
152.03384	0.8
153.01825	1.0
153.05502	0.5
154.04994	1.3
154.06233	4.1
161.02353	6.1
161.06007	0.6
164.03394	1.2
164.07065	13.8
165.01721	0.6
165.05479	1.5
166.04948	0.7
167.05742	6.4
167.07036	26.6
168.02943	7.2
168.06500	0.7
169.05013	0.5
171.04010	0.4
177.04218	3.7
178.04857	7.4
179.03418	5.9
179.05766	3.9
179.07129	0.9
180.02873	2.7
181.08571	1.8
182.04527	1.3
182.08144	0.7
182.09390	4.6
192.02881	0.8
192.06528	7.7
193.04970	12.5
195.02568	0.9
195.05252	13.8
196.05742	0.5
197.00819	4.4
210.04106	16.3
210.07602	100.0
211.02553	2.2
211.06000	6.0
211.07935	1.7
219.41612	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03940	9.1
55.01869	19.8
55.05506	12.5
56.96562	3.3
57.03431	12.7
57.07056	8.5
59.05001	3.9
65.03941	12.2
66.04681	1.7
67.05506	18.5
68.99774	2.3
69.03423	11.8
69.07080	12.3
71.04993	19.5
71.57379	3.7
72.83878	2.0
75.04461	5.6
78.04704	6.4
79.05493	30.6
81.03414	7.3
81.07054	35.1
83.04987	11.8
83.08617	11.8
85.02881	6.4
85.06541	5.8
87.04462	2.4
89.03905	5.3
91.05478	43.6
93.03410	13.4
93.06487	2.5
93.07040	40.8
93.85374	2.0
95.04967	100.0
95.08600	23.4
97.06542	19.6
97.10162	2.3
99.04453	17.0
99.08091	5.9
103.05471	23.6
105.03365	2.6
105.07021	23.8
106.04176	31.7
107.04983	15.2
107.08597	39.3
109.06516	84.6
109.10157	22.0
111.04465	3.0
111.08061	13.0
116.98561	2.4
117.03364	4.8
117.07011	2.8
119.04925	7.3
119.06116	2.2
119.08600	12.8
119.09336	2.2
121.02852	2.4
121.06506	57.0
121.10140	31.7
123.04388	3.2
123.08072	17.5
123.11694	8.2
125.05964	11.5
125.09636	9.4
126.01064	6.8
127.07535	2.0
129.06955	2.3
131.04945	11.9
131.08540	11.9
133.06493	2.5
133.10143	25.2
134.03629	6.8
135.04398	8.2
135.08044	23.6
135.11679	12.2
137.05994	7.0
137.09584	5.8
138.03130	3.0
138.06773	2.6
138.82297	1.9
139.07523	5.2
139.11147	4.1
143.08562	2.5
145.02805	5.2
145.06505	2.9
145.10117	11.1
147.04439	7.0
147.11682	8.5
148.05180	6.6
149.02356	12.6
149.05988	56.7
149.09639	15.7
149.13264	13.6
151.03944	2.1
151.07497	5.6
151.11136	10.7
153.05495	14.3
153.09105	49.0
154.54355	2.3
158.10870	2.2
159.04381	2.8
161.05887	2.6
161.50006	1.9
163.03902	10.9
163.07558	10.0
163.11174	6.4
163.14830	7.4
165.05487	3.5
165.06918	1.9
165.12756	27.9
166.02623	4.6
166.06209	5.5
166.07726	3.2
167.06990	4.0
167.08513	2.4
167.14279	2.9
173.13249	15.2
176.04733	3.4
177.05467	35.2
178.05891	2.0
178.09897	6.4
178.16280	2.0
179.07043	3.6
179.08539	5.8
181.04964	6.1
181.06406	3.9
181.08617	16.1
181.10068	3.3
191.03357	6.3
191.06964	7.3
191.10664	2.5
191.14311	40.0
194.02121	11.0
194.05728	4.9
194.09398	7.0
209.04449	54.1
209.07964	22.7
209.09714	3.7
209.11679	8.3
209.13368	4.2
209.15341	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03928	3.5
55.01859	3.8
55.05500	6.1
57.03426	2.6
57.07070	4.2
59.04966	1.8
65.03922	2.0
67.05507	11.0
69.03429	15.4
69.07056	11.5
71.04967	5.4
71.10073	3.0
79.05493	10.7
81.03412	7.9
81.07058	18.9
83.04966	5.1
83.08598	2.1
91.05482	14.6
93.03398	5.2
93.07050	15.6
95.04967	14.5
95.08603	16.9
97.06527	5.0
97.66557	1.5
99.08085	1.9
103.05456	3.9
105.07008	11.0
105.43928	1.6
106.04164	8.8
107.04962	2.9
107.08589	20.5
109.06510	19.8
109.10139	6.1
109.25898	1.5
111.08077	3.1
119.08578	10.1
121.06511	14.9
121.10144	18.8
123.08065	15.7
123.11709	10.8
125.05973	3.9
131.04935	2.7
131.08548	3.5
133.10132	7.5
134.03644	2.5
135.04390	1.9
135.08032	5.7
135.11671	5.5
137.09631	9.0
137.13261	2.8
143.11331	1.8
145.02864	1.6
145.10126	5.5
147.04308	2.0
147.11670	6.0
148.05212	2.4
149.02286	3.5
149.05968	14.2
149.09647	12.2
149.13237	12.5
151.11159	6.3
153.05455	2.9
153.09126	2.7
159.04370	1.7
163.03966	2.1
163.07675	1.8
163.14844	3.4
165.12744	100.0
166.13165	2.5
167.07071	1.7
173.13254	8.7
177.05460	9.7
178.09889	1.9
181.08681	2.3
191.07060	5.3
191.14275	13.9
194.02080	1.7
209.04439	9.6
209.08110	6.8
209.11913	2.1
209.15343	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03937	7.6
55.01871	12.9
55.05511	20.4
57.03426	7.6
57.07070	5.7
58.45899	1.8
59.04990	3.9
62.43209	2.0
65.03938	9.8
67.05504	21.2
68.99792	5.9
69.03416	13.3
69.07065	25.8
70.93345	6.7
71.05006	10.9
75.04464	5.8
78.04718	6.8
79.05489	31.7
81.03403	5.5
81.07058	35.2
83.01333	8.5
83.04980	32.8
83.08621	11.1
85.02897	6.3
85.06528	8.3
89.03923	3.9
91.05479	48.9
93.03418	14.1
93.07049	48.3
95.04966	36.5
95.08601	27.0
97.06519	21.4
97.10149	2.9
99.04450	11.4
99.08077	23.9
103.05463	19.3
105.04476	2.7
105.07034	22.7
106.04173	33.0
107.04937	6.8
107.07866	4.7
107.08589	65.7
109.06519	25.8
109.10168	22.6
111.04420	6.5
111.08090	17.3
113.09525	2.4
117.03394	2.6
117.06998	3.8
119.04941	3.9
119.08595	11.7
121.06498	48.2
121.09316	3.8
121.10135	43.8
123.04420	3.4
123.08064	13.9
123.11691	14.0
125.05992	19.0
125.09616	16.7
131.04938	8.3
131.08556	13.4
133.10138	27.1
134.03621	6.3
135.04376	5.6
135.08055	17.6
135.11708	9.1
137.06010	4.3
137.09613	12.3
139.07539	18.3
139.11168	7.6
145.02832	3.4
145.10115	11.0
147.04376	2.7
147.11693	6.9
148.05183	3.6
149.02333	3.8
149.05991	44.7
149.08414	4.8
149.09618	100.0
149.13239	27.8
151.07523	2.0
151.11172	57.9
153.05432	3.4
153.09117	26.1
154.09827	3.7
158.10921	3.1
159.04399	3.1
163.03851	5.7
163.07616	2.5
163.11163	6.5
163.14812	11.0
165.12737	2.6
166.06250	3.1
167.07056	8.3
167.10576	2.4
173.13261	22.9
177.05484	29.7
181.08600	8.0
191.07057	2.9
191.10640	2.4
191.12663	3.0
191.14305	36.6
194.02162	3.1
194.05725	4.9
207.88858	2.1
209.04503	11.4
209.08076	13.9
209.09793	3.6
209.15355	73.4
211.97307	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.79444	2.4
54.10033	2.1
54.94938	2.0
55.01870	3.2
55.05503	6.4
57.07064	3.1
59.05011	3.0
62.74589	2.0
67.05491	9.0
69.03419	8.9
69.07063	18.6
69.49028	8.8
69.49455	12.2
71.04985	8.2
71.55517	2.1
79.05495	10.0
81.07048	18.3
83.04974	15.6
83.08638	3.1
91.05452	11.9
92.05820	2.3
93.07037	13.2
95.04952	9.9
95.08610	35.1
97.06505	5.5
99.08115	4.6
105.07033	10.3
106.04192	5.5
107.04914	3.6
107.08589	35.8
109.06509	11.8
109.10159	15.3
111.08063	3.9
113.09696	2.9
118.33731	2.5
119.08605	7.6
121.06503	12.1
121.10130	35.4
123.08056	6.3
123.11736	3.6
123.15441	2.7
125.09622	8.2
128.19287	2.4
131.08533	5.3
133.10110	20.4
135.08064	14.4
135.11673	7.5
137.09645	5.1
139.07536	2.5
139.11168	6.0
147.11694	9.0
149.05989	6.6
149.09634	10.1
149.13235	19.6
151.11179	100.0
153.09134	4.9
158.10951	3.7
159.55235	2.2
163.14807	9.7
165.12727	4.0
173.13240	13.6
177.05423	3.6
191.14281	46.7
209.04601	2.9
209.15381	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.71272	0.2
51.02363	0.3
51.55394	0.2
53.03941	1.7
55.01861	0.8
55.05503	4.2
57.03427	0.8
57.07071	2.4
59.04994	1.6
62.22839	0.3
62.25622	0.2
63.75076	0.2
65.03928	0.8
67.05500	5.6
69.03425	14.3
69.07063	5.3
69.67680	1.8
71.04990	1.7
77.03911	0.3
77.22918	0.2
78.39293	0.3
79.05486	4.5
81.03413	11.3
81.07047	10.1
83.04977	4.4
83.08601	1.5
85.06542	0.5
87.60309	0.2
91.05473	4.8
93.03397	0.5
93.06474	0.4
93.07033	6.5
95.04959	11.7
95.08600	12.4
97.06535	1.5
98.20689	0.3
99.04443	0.3
99.08079	0.9
102.58214	0.3
103.05440	1.0
105.07021	7.9
106.04173	0.9
107.04943	1.1
107.08585	11.8
108.05728	0.5
109.06509	15.4
109.10143	2.6
110.07305	0.7
111.04480	0.3
111.08054	1.1
117.07011	0.7
119.08567	6.3
121.06490	2.6
121.10135	15.0
122.07284	0.6
123.08056	13.6
123.11701	9.4
124.12063	0.3
125.06008	0.5
125.09620	1.0
131.08549	0.8
133.07600	0.4
133.10123	2.0
134.03600	0.4
135.04398	0.4
135.08051	2.4
135.11708	1.2
137.09624	3.6
137.13246	2.2
143.08577	0.4
145.10112	0.8
147.11687	4.3
149.06009	1.3
149.09615	10.2
149.13245	6.2
150.10323	0.3
151.11169	6.6
153.01767	0.3
153.09102	1.0
158.10866	0.6
162.17386	0.3
163.03876	0.8
163.11124	0.5
163.14798	0.9
165.12737	100.0
166.13133	2.1
167.14314	0.9
173.13249	1.6
177.05482	0.7
191.03427	1.4
191.14317	3.1
209.04456	1.5
209.07994	0.4
209.15349	26.6
210.15724	0.5
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-alpha-ionone
Peak:m/z	Relative Intensity
53.03929	2.3
55.05498	3.2
57.07068	2.3
63.31706	1.2
67.05489	4.3
69.03426	12.5
69.07048	4.7
69.87117	7.2
79.05475	5.8
81.03417	11.5
81.07043	12.9
83.04967	4.0
91.05461	3.7
93.07036	4.0
95.04973	8.4
95.08591	11.8
105.07033	6.0
107.08591	14.9
107.22267	1.1
109.06503	12.6
109.10103	2.1
119.08538	6.1
121.10145	15.6
123.08057	12.2
123.11687	6.9
133.10117	1.4
135.08060	2.4
137.09547	5.5
137.13245	1.9
147.11632	3.6
149.09613	10.8
149.13245	7.4
151.11223	5.7
163.14798	1.6
165.12747	100.0
166.13173	1.3
173.13220	3.5
191.14294	3.1
209.15384	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01870	3.7
55.05492	1.7
57.03419	0.6
57.07070	3.5
59.05004	1.1
65.03941	3.2
67.05493	3.0
69.03428	2.0
69.07060	3.3
71.04986	5.6
75.04474	1.1
78.04703	1.3
79.05490	7.5
81.03407	1.4
81.07047	8.6
82.04184	3.0
83.04977	1.8
83.08611	1.4
83.56651	0.6
85.02881	1.9
85.06531	1.7
89.03912	1.3
91.05476	7.6
93.03411	4.5
93.07036	9.7
95.04970	14.2
95.08585	4.1
97.06516	2.3
99.04448	14.2
103.05458	3.0
105.03371	1.2
105.07024	4.6
106.04171	7.6
107.04951	12.2
107.08601	5.9
109.06510	100.0
109.10133	3.0
110.03651	3.0
110.06797	1.1
111.04386	0.9
111.08073	2.6
113.47845	0.6
115.05558	0.6
115.06541	0.5
117.03369	1.0
119.04916	1.2
119.08562	1.6
120.05714	0.9
121.02884	4.1
121.06495	11.0
121.10142	3.2
122.06848	0.8
123.08066	4.6
123.11689	1.5
125.05976	2.6
125.09642	0.8
131.04919	2.5
131.08566	3.4
133.02792	0.9
133.10104	6.2
134.03641	2.2
135.04424	10.9
135.08069	5.7
135.11707	1.1
136.04756	0.8
137.05984	1.2
137.09607	0.6
138.03102	4.8
139.03825	0.6
139.07494	0.8
144.02734	0.6
145.02832	1.2
145.03922	0.8
145.10139	1.6
145.82709	0.6
146.16713	0.6
147.11714	1.1
148.05168	1.8
148.11177	1.3
149.02335	29.0
149.05949	10.5
149.09618	2.6
149.11528	4.8
149.13249	2.1
151.11174	3.1
153.05458	11.3
153.09087	11.1
159.04420	1.5
162.03127	1.1
163.03897	14.2
163.07562	1.3
163.14796	0.8
165.05495	1.6
165.09181	0.8
166.02600	9.4
166.06290	0.9
167.03314	0.5
167.07014	1.7
173.13226	3.1
177.01811	1.9
177.05463	6.3
181.04979	5.4
181.08586	1.6
191.07031	1.4
191.14305	4.7
194.00308	1.1
194.02095	22.5
195.02415	1.1
196.04811	0.7
209.04436	99.3
209.07932	3.4
209.13518	1.4
209.15359	9.3
210.04762	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03951	1.1
55.01868	3.0
55.05504	2.6
57.03428	1.1
57.07060	3.5
59.04987	1.7
60.16755	0.7
65.03931	2.8
67.05495	2.7
69.03423	1.1
69.07059	2.7
71.04984	6.9
71.37022	1.0
71.37335	0.9
77.87997	0.6
79.05479	6.1
81.03402	1.0
81.07049	7.9
81.49973	0.8
82.04195	2.5
83.04961	3.5
83.08603	1.0
85.02902	1.1
85.06546	2.5
89.03925	1.2
91.05486	6.6
93.03414	2.8
93.07042	7.0
95.04956	11.6
95.08592	3.1
97.06520	2.0
99.04448	15.0
99.08106	0.7
103.05473	1.7
105.07017	3.6
106.04178	1.4
107.04955	8.8
107.08577	7.4
109.06511	100.0
109.10159	3.9
111.08067	3.6
111.38177	0.6
117.07010	0.8
119.08568	2.3
119.53610	0.7
121.02919	3.6
121.06453	5.6
121.10174	4.9
123.08067	5.2
123.11668	1.1
125.05916	1.1
125.09618	1.3
131.04935	1.4
131.08542	2.7
133.10132	7.1
134.03630	0.8
135.04379	8.0
135.08025	5.1
135.11668	2.4
137.05966	1.4
138.03111	4.0
145.10086	1.3
147.11694	1.2
148.05167	1.0
149.02333	22.7
149.05934	5.1
149.09634	2.0
149.11505	1.0
149.13240	2.3
150.03033	1.1
151.11185	3.0
153.05496	9.1
153.09099	11.7
163.03891	10.2
163.07520	1.2
163.11176	1.0
163.14781	1.0
166.02623	7.9
167.07117	1.0
167.14273	0.8
173.13257	3.3
177.01857	1.2
177.05501	3.7
181.04910	3.9
181.08527	1.5
191.14310	5.9
194.02092	18.9
195.02467	1.2
209.04436	75.8
209.15341	10.5
210.04784	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.80171	1.8
53.03948	4.9
55.01859	5.4
55.05505	16.2
57.03426	3.4
57.07055	7.1
58.83495	1.7
59.04987	3.8
65.03931	5.2
67.05505	29.7
69.03432	15.9
69.07069	26.1
70.90805	4.6
71.01350	1.8
71.04993	4.9
71.08627	2.1
77.03899	2.3
79.05064	3.5
79.05489	46.1
81.03405	6.6
81.07053	47.5
81.49855	1.8
83.04977	15.1
83.08606	11.3
85.02886	3.8
85.06519	5.2
91.05474	33.5
93.03402	4.3
93.07039	52.2
93.07629	2.6
95.04958	11.5
95.08605	60.0
97.06537	10.1
97.10155	14.0
99.08080	1.9
99.38500	1.6
99.71523	2.0
103.05460	7.2
105.04461	2.6
105.07027	27.2
106.04160	9.1
107.05021	9.2
107.08592	100.0
109.06539	16.8
109.10149	22.4
111.08070	9.4
115.96619	1.7
117.03318	2.0
117.07011	10.5
119.08558	10.2
119.24973	1.9
119.96111	1.8
121.06508	40.1
121.10131	38.8
123.08065	7.5
123.11697	7.9
125.05942	4.2
125.09671	14.1
129.07103	1.6
131.04922	2.6
131.08563	19.9
133.10123	16.0
135.08058	27.7
135.11678	8.8
137.09669	3.8
145.10094	9.8
147.11690	18.8
148.05179	2.4
149.05952	11.7
149.09610	14.6
149.13249	19.5
151.11206	3.3
153.09117	8.2
158.10939	4.0
161.13268	2.6
163.14828	24.8
165.12813	5.6
173.13254	23.8
174.54268	1.9
177.05453	8.1
191.14302	48.4
209.08153	4.0
209.15373	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.01586	2.0
53.03932	5.8
55.01874	16.9
55.05508	57.4
56.96558	4.1
57.03439	2.4
57.07070	4.9
59.04987	6.3
65.03963	9.7
67.05508	15.8
68.99784	2.2
69.03416	7.1
69.07056	8.7
69.44133	3.2
69.44543	15.2
69.91524	1.8
70.06594	2.7
70.14699	1.9
71.04987	4.8
75.04462	4.7
78.04725	5.4
79.05499	12.0
81.03433	4.6
81.07059	17.0
83.04979	100.0
83.08615	31.0
85.02894	2.8
85.06537	3.2
89.03917	5.4
89.06045	2.3
91.05472	31.0
93.03410	12.9
93.07037	24.8
95.04966	29.1
95.08599	9.2
97.06538	12.8
97.10184	7.1
97.72487	2.0
99.04474	3.1
103.05469	19.5
105.03395	2.8
105.07017	8.3
106.04165	27.9
107.04984	11.4
107.08588	25.5
109.06509	15.8
109.07635	3.4
109.10155	21.3
110.03698	2.1
111.04433	3.1
111.08067	8.4
117.03394	5.8
117.07063	2.0
119.04923	4.9
121.02853	3.9
121.06503	40.7
121.10135	25.7
123.04446	6.0
123.08093	4.4
123.11715	13.1
125.05985	8.4
125.09607	15.5
131.04945	11.5
131.08635	2.6
133.10127	7.0
134.03667	7.6
135.04404	9.5
135.08090	4.1
137.05959	9.2
137.09712	2.4
138.03123	6.3
138.06741	3.7
139.07513	3.1
145.02861	2.8
145.10121	3.1
147.04399	5.7
148.05170	7.1
149.02371	13.8
149.05983	41.7
149.07124	3.2
149.09619	4.0
149.13278	11.2
149.14249	1.7
151.07478	2.0
151.10101	2.9
151.11179	27.4
153.05447	9.2
153.06961	2.8
153.09117	10.0
159.04408	4.9
163.03926	11.5
163.07584	5.4
163.11192	2.3
163.14825	2.2
166.02620	2.8
166.06282	2.9
167.07025	4.8
167.10767	2.1
167.14307	59.0
177.05449	38.7
181.04939	7.0
181.08629	8.2
182.09552	1.9
191.03418	3.2
191.07059	5.9
191.10654	2.7
191.14320	7.1
194.02130	10.9
194.05707	2.6
209.04427	48.9
209.06172	3.8
209.08083	18.8
209.09810	3.2
209.15381	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.84827	2.2
52.01589	2.4
53.03949	4.5
54.39815	2.3
55.01865	5.8
55.05497	7.9
59.05001	4.0
65.03938	3.6
65.84682	2.8
67.05502	14.7
69.03427	10.5
69.07067	18.9
69.82478	18.2
71.04987	6.9
77.53253	2.4
79.05492	12.1
81.03404	3.4
81.07049	17.3
83.04984	14.8
83.08625	5.9
85.02896	4.1
91.05465	20.2
93.03416	6.4
93.07031	20.2
95.04964	10.5
95.08601	27.8
97.06526	11.9
98.21452	4.4
99.08101	5.0
103.05490	5.4
105.07036	10.6
106.04156	17.8
107.04974	4.3
107.08595	43.1
109.06519	12.7
109.10156	18.2
111.08072	4.5
116.41401	2.6
119.08566	5.7
121.06493	25.4
121.10140	30.8
123.08092	7.8
123.11723	5.0
125.06010	6.9
125.09644	4.4
131.04979	3.2
131.08580	8.2
133.10106	17.8
134.03584	4.3
135.08044	14.3
135.11700	7.0
137.09615	6.5
139.11243	5.3
145.02835	3.7
145.10094	3.0
147.11671	9.0
148.05182	3.7
149.02274	3.0
149.05994	22.7
149.09596	10.2
149.13213	20.7
151.11183	100.0
153.09093	3.1
155.71251	2.5
158.10959	2.8
163.14818	9.3
165.12814	6.1
173.13252	17.1
177.05453	13.6
179.08591	2.6
181.08604	3.7
181.10089	3.1
191.14314	47.7
209.04442	6.2
209.08119	5.9
209.13582	4.1
209.15340	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	209.0444
Annotation	FRAXETIN
Peak:m/z	Relative Intensity
52.98674	0.6
55.01865	1.1
55.05527	0.6
60.94911	0.5
65.03941	1.5
70.91075	0.7
70.92046	1.5
70.92381	0.7
79.05477	2.1
81.03426	0.9
82.04182	2.7
91.05489	1.1
92.02617	0.7
93.03378	0.9
95.04961	1.3
100.35667	0.6
106.04180	1.0
107.04945	11.9
109.02894	0.9
109.06519	0.8
110.03661	3.0
120.02056	1.0
121.02855	3.7
121.06518	1.1
135.04408	10.1
138.03119	7.0
145.03969	0.9
148.01624	0.8
149.02338	31.7
149.05960	1.3
150.03076	1.1
153.05473	11.7
163.03902	15.0
166.02612	11.0
169.02179	0.7
177.01837	1.8
177.05434	1.9
181.04938	6.0
194.00316	1.1
194.02106	24.4
209.04443	100.0
210.04790	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0443
Annotation	Fraxetin
Peak:m/z	Relative Intensity
53.03931	1.8
55.01870	5.2
55.05503	3.2
57.03434	1.3
57.07058	1.0
65.03942	3.9
67.05501	4.0
68.99767	0.6
69.03403	2.1
69.07063	3.8
69.33257	6.3
71.04979	2.3
73.55013	0.6
75.04474	2.2
78.04703	1.7
79.05489	6.4
81.03436	0.8
81.07048	6.3
82.04198	1.4
83.04963	3.3
83.08597	1.4
85.02876	1.7
85.06535	1.5
89.03905	2.1
89.06007	0.6
91.05478	10.9
92.02606	0.6
93.03403	4.5
93.07038	11.6
94.04192	0.6
95.04964	7.8
95.08598	4.8
97.06517	4.3
99.04439	0.7
103.05443	3.2
105.03387	1.2
105.07028	4.1
106.04168	11.5
107.04954	11.4
107.08596	11.2
109.06507	3.8
109.10143	2.7
110.03667	2.9
110.07272	0.7
111.04416	1.4
111.08041	1.3
117.03375	1.6
117.07024	1.1
118.04136	0.7
119.04944	2.5
119.08563	3.8
120.02052	0.8
120.05700	0.9
121.02848	3.7
121.06499	15.2
121.10136	4.8
123.04461	1.2
123.08062	2.3
125.05978	4.9
125.09616	1.0
126.01036	1.4
131.04944	2.8
131.08531	3.0
133.02849	1.4
133.10130	3.0
134.03607	1.9
135.04401	9.9
135.08073	3.1
135.11682	2.7
137.05994	2.0
137.09625	1.1
138.03122	4.3
138.06770	1.2
139.03831	0.9
139.07484	1.0
145.02853	1.7
145.03952	1.1
145.10123	2.4
147.04381	2.0
147.08060	1.7
147.10640	1.0
147.11688	9.7
148.05170	2.2
149.02338	24.3
149.04820	0.8
149.05971	14.8
149.09616	6.9
149.13248	8.3
150.03046	0.6
151.03940	1.1
151.07504	0.8
151.11160	2.3
153.04384	1.4
153.05467	10.6
153.09097	3.2
158.10770	0.6
160.70778	0.6
163.03896	20.3
163.07555	1.7
163.11195	1.5
163.14851	1.2
165.05434	1.7
165.12769	1.4
166.02618	9.0
167.07109	0.7
167.14183	0.6
168.07800	0.8
173.13235	5.1
176.11908	0.9
176.69917	0.6
177.01860	1.9
177.05461	7.7
178.09966	0.9
179.03528	0.6
179.07178	0.6
180.03786	1.0
181.03841	4.4
181.04970	5.1
181.08557	4.0
191.03397	10.3
191.05116	1.0
191.07051	1.5
191.14301	24.7
194.00327	1.1
194.02106	21.3
194.76790	0.5
209.04453	100.0
209.08028	4.7
209.11502	1.1
209.13420	1.0
209.15306	7.1
210.04767	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0806
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
50.56738	1.9
53.03936	5.9
55.01870	17.3
55.05503	7.8
56.96547	3.5
57.07084	2.5
63.57722	2.1
65.03947	10.3
67.05489	7.7
68.99783	3.5
69.03424	6.8
69.07050	3.1
71.04969	2.7
71.56573	2.4
75.04470	6.6
78.04716	9.7
79.05492	16.8
81.03394	5.1
81.07051	10.0
82.04189	3.2
83.04964	7.9
83.08582	2.0
85.02889	6.3
89.03912	8.1
91.05476	45.6
93.03409	18.3
93.07038	19.2
95.04962	26.9
95.08613	3.1
97.06529	6.9
97.10181	2.3
103.05462	36.8
105.03387	6.5
105.04493	3.4
105.07016	8.0
106.03457	3.8
106.04166	56.8
107.04954	20.5
107.08585	10.8
109.06493	9.1
109.10160	3.4
110.03663	3.6
111.04436	3.7
115.05405	2.5
117.03365	7.0
117.07034	3.1
117.87331	1.6
118.04132	3.6
119.04942	6.7
121.02855	4.2
121.06493	67.1
121.10101	5.0
123.04422	5.6
123.08074	3.4
123.11728	2.7
124.05214	4.1
125.06007	14.2
125.09631	2.1
131.04924	22.4
131.08595	2.7
133.02861	2.8
133.06464	2.6
134.03607	14.0
135.04427	18.2
135.08003	6.8
137.05942	12.1
137.09540	1.8
138.03125	6.4
138.06734	6.5
139.03891	14.5
139.07515	5.8
145.02859	8.4
147.04353	6.0
148.05194	10.0
149.02350	26.5
149.05968	81.5
149.09598	5.3
151.07486	2.5
151.11191	5.0
153.01775	2.5
153.05443	13.0
153.09030	10.7
154.06175	3.6
159.04399	8.9
162.03113	2.6
163.03877	18.9
163.07561	8.1
163.11237	1.9
165.05525	2.5
166.02597	10.1
166.06317	2.5
167.07011	22.9
167.14276	2.8
176.04655	3.2
177.05466	73.1
181.04965	7.1
181.08540	12.8
182.09401	4.4
182.38492	1.8
184.78633	1.8
191.06978	9.5
191.14366	2.1
194.02086	26.4
194.05704	5.3
209.04436	100.0
209.07961	29.7
209.15335	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.05496	0.4
60.47792	0.3
65.03928	1.2
67.69879	0.3
69.44810	0.6
69.45213	2.0
79.05482	1.4
81.03373	0.3
82.04211	2.1
83.04975	0.3
88.94073	0.3
91.05460	0.6
92.02587	0.4
93.03417	0.7
93.92076	0.3
95.04939	1.3
103.05463	0.5
107.04952	9.7
107.08577	0.5
109.02837	0.3
109.06477	0.4
110.03642	2.3
118.49437	0.3
120.02090	0.5
121.02858	3.1
121.06460	0.8
121.10117	0.4
125.09547	0.3
131.04886	0.3
133.02780	0.4
135.04407	8.7
138.03113	4.5
145.03949	0.6
149.02338	24.7
149.05898	0.7
150.02954	0.6
151.11179	0.3
153.05461	9.8
163.03906	13.4
165.05447	0.9
166.02612	9.6
171.02849	0.3
177.01863	1.7
177.05460	0.8
180.01935	0.3
181.03406	0.4
181.04955	5.7
194.02103	21.5
195.02477	0.7
195.08340	0.3
209.04442	100.0
209.15189	0.7
210.04765	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.63268	2.4
51.76841	2.0
53.03935	6.0
53.20655	1.9
55.01856	7.2
55.05509	18.2
57.03403	4.0
57.07056	7.8
59.04992	2.5
65.03926	12.8
67.05499	74.1
68.45076	1.8
69.03425	100.0
69.07065	41.3
70.14472	4.1
70.14871	5.3
71.04980	5.3
77.03907	2.3
77.32664	2.3
79.03209	2.1
79.05486	43.3
81.03414	19.7
81.07048	34.6
83.04977	19.6
83.08620	3.8
85.02914	11.0
85.06546	3.6
91.05475	37.2
92.58294	2.1
93.07032	32.3
95.04964	59.7
95.08607	26.8
97.02868	6.8
97.06537	14.9
103.05453	3.9
105.04501	2.4
105.07024	61.1
107.04955	11.8
107.08582	38.3
108.05735	2.6
109.06526	30.1
109.10155	16.9
110.07294	12.3
110.96328	2.3
111.08074	16.5
115.05483	2.7
117.07001	9.0
119.04935	9.4
119.08575	58.0
121.06492	13.8
121.09323	3.0
121.10133	33.5
123.03571	4.1
123.04430	74.9
123.08044	15.8
123.11719	10.8
128.06242	4.7
129.06970	5.9
130.07755	4.0
131.08575	7.3
133.06464	10.6
133.10121	68.8
135.08047	6.3
135.11702	12.0
137.05954	20.8
137.09589	12.8
143.08546	6.1
145.06477	3.2
145.10121	20.5
146.03639	4.8
147.04393	7.3
147.08009	13.0
147.11661	22.6
149.02298	6.3
149.09639	12.5
151.07556	12.1
151.11171	2.9
156.09363	13.3
159.11646	9.4
160.08730	2.4
161.05940	10.9
161.09598	6.2
161.13231	30.0
163.11174	34.8
164.04668	11.7
165.12709	4.3
171.11700	14.7
174.10457	4.6
177.12692	3.3
177.71419	2.2
179.03316	3.5
179.06993	5.9
179.14310	8.4
187.64352	2.8
189.09114	5.8
189.12729	26.7
192.04082	4.1
207.06476	14.8
207.13792	88.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02373	0.8
51.26120	0.9
52.71386	0.8
53.03932	2.2
55.01868	1.7
55.05505	5.6
57.07063	1.0
61.19353	0.7
65.03925	1.6
66.51797	0.7
67.05498	4.2
69.03423	11.4
69.07059	0.8
69.87299	4.9
71.04997	1.6
77.03911	4.0
79.05479	5.3
81.03403	0.8
81.07051	3.8
83.04985	1.9
85.02912	1.5
89.03911	1.3
91.05468	12.9
93.03410	1.2
93.07027	6.0
95.04959	7.6
95.08599	3.5
98.97575	2.3
103.05439	2.6
105.01460	0.8
105.03384	13.1
105.07015	8.3
106.04250	0.7
107.04943	1.8
107.08571	5.8
108.05705	1.2
109.06487	4.4
109.10139	1.1
115.05418	1.4
116.98606	1.8
117.07012	2.2
118.04142	1.8
119.04933	6.5
119.08551	5.7
121.06496	24.8
121.10131	2.2
123.04437	8.9
123.08051	6.9
123.11662	0.8
129.07037	1.0
131.08568	1.3
133.01839	1.1
133.02843	19.1
133.06480	13.2
133.10103	1.8
134.99619	1.0
135.04440	2.5
135.08060	3.4
135.11662	0.9
136.05161	2.8
137.09566	1.7
145.10173	0.9
146.03607	2.2
146.07272	1.0
147.04398	4.3
147.08028	2.1
147.11649	3.1
148.08745	0.8
149.02324	5.7
149.05989	1.1
149.09659	3.8
151.03893	39.1
151.07489	4.3
151.36031	0.8
152.04285	0.8
158.99637	1.2
161.02298	1.1
161.05977	8.0
161.09624	2.7
161.13231	1.5
163.03876	0.9
163.07538	1.0
163.11172	29.9
163.79762	0.7
164.04686	7.5
164.11565	1.0
165.09129	1.3
165.12735	1.3
174.03172	0.9
176.08287	2.0
177.00728	2.4
179.03381	100.0
179.06769	5.4
180.03746	3.1
189.05351	1.1
189.09114	1.7
189.12674	4.6
192.04123	2.4
196.87263	0.9
207.02885	18.8
207.06522	10.9
207.10085	2.0
207.13789	10.8
207.17400	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03936	3.9
55.01859	4.1
55.05511	6.8
57.07061	3.8
58.07461	1.3
59.04988	2.8
61.26659	1.2
61.86549	1.3
65.03930	10.3
67.05505	23.2
68.99789	4.1
69.03419	5.7
69.07056	5.7
69.41023	12.8
71.04998	2.3
72.71684	1.4
78.12097	1.1
79.05495	11.0
81.03407	3.2
81.07056	17.0
83.04969	5.9
83.08617	2.6
85.02886	4.4
85.06538	4.5
86.93317	1.3
87.96030	1.2
90.04708	2.1
91.05476	57.7
93.03387	4.5
93.07042	20.4
94.04176	1.5
95.04976	16.3
95.08600	47.9
97.06548	3.1
97.72868	1.4
103.05465	13.5
105.03387	2.9
105.07032	28.3
106.04185	2.6
107.04942	5.7
107.08595	18.7
108.05747	7.0
109.06512	11.7
109.10132	5.0
111.08072	1.8
115.05444	3.3
117.07030	1.7
118.04176	11.0
119.04947	46.9
119.08565	22.0
121.02897	6.7
121.06498	17.9
121.10142	12.3
123.04428	11.4
123.08062	42.2
123.11697	7.7
128.06238	1.5
129.06992	2.1
131.04907	2.4
131.08580	3.8
131.40262	1.4
133.02850	2.2
133.06488	13.2
133.10138	12.8
134.03625	3.4
135.04375	3.2
135.08058	1.9
135.11681	2.5
136.05186	24.2
137.05952	2.9
137.09592	7.4
139.07512	1.6
143.08586	3.8
145.10133	3.6
146.03622	20.2
147.04413	34.3
147.08028	5.5
147.11694	15.5
148.04927	1.7
149.02347	50.9
149.05983	9.6
149.09615	73.4
150.02692	2.7
151.07539	27.2
151.11206	1.8
151.14799	1.6
156.09377	3.3
159.08026	1.6
161.05974	34.3
161.09624	9.0
161.13255	14.7
162.03085	1.3
163.03899	17.7
163.07552	2.3
163.11179	3.5
164.04691	63.3
165.05159	2.4
165.09044	1.7
165.12726	7.8
171.11703	5.2
173.82323	1.5
174.03122	18.6
174.10374	2.3
175.03848	4.0
176.08305	10.5
177.05418	5.3
178.06241	1.6
179.03419	3.1
179.07030	51.4
179.14319	1.9
180.07368	2.6
189.05478	1.7
189.09123	6.1
189.12732	23.0
189.16365	2.6
191.03363	3.9
192.04153	23.6
207.03287	2.7
207.06522	100.0
207.10048	4.4
207.11870	3.0
207.13811	37.3
207.17467	4.8
208.06943	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	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.71342	0.6
51.02335	0.6
53.03932	1.3
55.01849	1.3
55.05505	3.1
57.03410	1.1
57.07042	1.1
59.04962	1.7
65.03915	1.4
66.49485	0.6
66.63223	0.5
67.05505	3.5
68.04407	0.6
68.99740	0.5
69.03422	3.1
69.07079	3.3
70.17592	1.3
70.18005	2.0
71.04997	2.9
77.03917	1.1
79.05489	4.6
80.66275	0.5
81.03387	0.9
81.07052	6.5
83.04969	2.9
83.08601	0.7
85.02863	1.9
85.06496	0.8
89.03863	0.9
91.05473	16.4
93.07038	8.1
95.04971	4.3
95.08605	5.9
97.06524	3.2
98.97536	0.7
99.08048	0.6
103.05450	4.1
104.06221	0.7
105.03382	1.3
105.07024	21.7
107.04934	3.2
107.07977	0.8
107.08592	9.1
108.05769	0.8
109.06513	5.4
109.10120	2.4
111.08056	0.9
115.05431	4.7
116.06223	1.0
117.07019	3.9
118.04126	2.4
119.04947	7.9
119.08577	13.4
121.02832	0.6
121.05672	0.6
121.06510	8.1
121.10132	7.8
123.04391	1.6
123.07204	0.7
123.08060	12.0
123.11706	3.1
125.05949	0.7
128.06216	2.6
129.03328	2.1
129.06990	5.0
130.07715	0.8
131.04930	5.4
131.08586	3.9
132.05692	3.1
132.06567	0.5
133.02829	1.3
133.06487	20.3
133.10136	6.1
134.03606	0.8
135.04414	0.7
135.08031	2.4
135.11658	0.9
136.05154	1.8
137.05943	1.6
137.09622	4.6
137.13243	1.6
138.06682	0.6
139.07500	1.4
141.06950	0.9
143.08534	3.2
144.05676	0.7
145.06499	5.1
145.10143	3.1
146.03596	1.7
146.07309	4.1
147.04417	5.3
147.08051	8.1
147.11682	10.9
148.05113	0.9
149.02321	3.3
149.05972	4.6
149.09610	67.6
150.09920	1.7
151.03880	0.7
151.07538	11.8
151.11133	1.0
156.09352	3.0
157.06459	2.1
159.08008	1.7
159.11729	1.4
160.05190	1.9
161.05975	68.4
161.09583	7.3
161.13245	11.2
162.06627	2.9
163.03848	1.4
163.07535	4.8
163.11200	2.6
164.04697	3.7
164.08284	1.3
165.09137	5.4
165.12740	6.0
171.11702	7.3
174.03116	1.2
174.06746	1.9
174.10399	3.4
175.03888	1.9
175.07527	8.6
176.08315	100.0
177.05470	8.4
177.09041	7.0
179.03358	2.1
179.07033	3.8
179.10706	1.5
179.14244	1.0
189.05576	1.0
189.09122	6.5
189.12729	22.9
191.06999	1.1
192.04187	2.0
192.07799	7.1
203.64267	0.6
207.02913	2.4
207.06554	7.9
207.10167	32.3
207.13780	51.1
207.17224	1.3
208.10417	1.6
208.14272	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03934	3.7
55.01865	2.3
55.05516	6.2
55.29514	0.9
56.47593	0.8
57.03419	1.3
57.07061	2.4
59.05005	1.1
60.97633	0.9
65.03934	7.5
67.05503	16.5
68.99786	4.1
69.03426	8.3
69.07070	5.6
69.92361	5.1
71.04969	2.3
77.03938	1.2
77.30505	1.0
78.04703	2.9
78.54389	0.9
79.05483	14.9
80.06231	1.4
81.03397	3.2
81.07052	20.9
83.04978	4.0
85.02905	63.9
85.06529	2.0
89.03923	1.7
91.05481	65.7
92.05785	1.3
93.03384	3.9
93.07038	14.6
95.04974	20.2
95.08604	16.3
97.06520	3.6
98.21378	1.2
99.04469	1.0
100.86736	1.0
103.05481	9.0
105.03366	4.0
105.07028	33.3
106.04163	3.1
106.07365	1.2
107.04932	6.1
107.08591	12.6
108.05734	7.0
109.06539	7.4
109.10153	9.4
110.07289	1.3
111.04416	2.3
111.08080	3.2
115.05434	3.0
117.07011	3.4
118.04159	10.2
119.04939	54.7
119.07801	1.9
119.08582	22.7
121.02864	7.1
121.06497	11.7
121.10144	10.0
123.04436	15.0
123.08081	10.5
123.11710	25.4
125.05957	5.5
128.06181	2.3
129.07005	2.6
130.07739	1.2
131.04932	2.5
131.08582	5.8
132.01997	1.1
133.02834	2.2
133.06500	9.8
133.10126	10.4
134.03603	2.6
135.04410	4.5
135.08096	2.4
135.11678	3.2
136.05193	21.5
137.05911	3.9
137.09608	3.4
139.07495	2.0
141.06895	1.0
143.08540	3.0
145.06418	1.1
145.10118	11.6
146.03650	16.3
146.07263	1.5
147.04414	37.7
147.08020	8.5
147.11687	19.5
148.05101	1.9
149.02338	51.6
149.05952	9.5
149.09619	7.9
149.13226	1.4
150.02765	1.1
151.03914	1.5
151.07547	28.0
156.09349	6.3
157.06503	1.3
159.08087	2.1
159.11649	3.5
160.08850	1.3
161.05988	13.0
161.09619	6.3
161.13284	7.3
162.03123	2.3
163.03920	15.9
163.07529	1.6
163.11165	8.9
164.04689	62.6
165.05089	2.9
165.12743	2.6
171.11711	2.6
174.03116	14.8
174.10445	2.0
175.03880	7.9
176.08287	8.4
177.01868	1.2
177.05489	5.7
177.12737	4.0
178.06166	2.4
179.03427	4.0
179.07027	49.1
179.14218	1.2
180.07339	1.8
189.05440	2.2
189.09137	3.6
189.12737	11.2
189.16397	5.1
190.02669	1.2
191.03383	4.0
192.04160	23.3
192.09340	1.5
207.02881	3.2
207.06525	100.0
207.10065	4.1
207.11844	2.4
207.13809	31.4
207.17317	6.3
208.03618	2.1
208.06892	4.3
220.28787	1.0
223.52249	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.10178	1.4
55.05516	2.4
57.07053	2.4
66.69207	1.3
67.05493	4.2
69.03418	1.8
70.69527	2.0
79.05489	4.0
81.07056	17.8
83.04994	1.5
85.02905	100.0
91.05479	7.4
93.07045	4.9
95.08600	5.2
105.07037	15.4
105.07709	2.0
107.04916	1.7
107.08595	8.4
109.06532	2.6
109.10158	16.1
111.04445	1.4
117.07016	2.0
119.08572	15.3
121.06475	1.3
121.10134	14.2
123.08054	3.6
123.11709	57.2
125.05988	9.3
129.06979	1.4
130.07800	1.8
131.08548	5.6
133.10080	1.5
137.05963	1.7
141.05463	1.7
143.08575	2.0
145.10100	7.0
146.10966	1.2
147.08057	5.2
147.11684	12.2
149.09589	13.9
151.07555	4.3
156.09351	5.7
159.08081	1.7
161.13237	1.9
163.11253	1.7
165.12819	1.3
169.08519	1.5
174.10362	2.3
189.12717	8.8
207.13783	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05501	2.6
57.07056	4.0
58.63754	2.5
67.05500	22.8
69.03432	4.7
70.89981	4.2
79.05482	5.9
81.07048	7.6
83.04985	4.3
85.02895	2.7
85.06532	7.3
91.05466	11.8
93.07049	11.5
95.04945	4.3
95.08598	87.5
102.11063	2.5
105.07018	16.2
107.08580	17.5
109.06502	6.9
109.10153	5.0
111.08140	2.1
113.06020	4.9
117.07027	2.3
118.04118	2.7
119.04913	2.7
119.08557	26.4
121.06505	8.0
121.08430	3.2
121.10146	14.6
123.08057	54.6
123.11694	7.8
129.07004	8.1
130.07770	2.7
131.04912	6.2
131.08575	8.3
133.06461	2.7
133.10127	8.5
135.08049	3.8
135.11734	3.4
137.09607	6.7
137.49847	2.1
139.07507	2.5
145.06435	2.6
146.07291	5.5
147.08014	6.7
147.11688	14.3
148.05197	4.5
148.11214	3.7
149.09616	23.7
151.07524	4.4
151.14806	4.9
156.09288	3.1
159.08040	3.3
161.04628	5.1
161.05974	100.0
161.09593	24.4
161.13206	20.5
162.06374	5.4
163.11121	3.9
165.12766	10.7
171.11629	3.1
174.10382	5.3
189.09084	26.2
189.10626	2.8
189.11182	2.7
189.12671	16.4
190.09425	3.3
205.95123	2.2
207.06491	5.7
207.13785	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03913	2.5
55.01863	3.7
55.05498	9.4
57.03427	2.2
57.07062	4.2
59.04993	3.0
65.03933	4.3
67.05500	12.7
69.03431	12.9
69.07079	3.9
70.86045	4.8
70.86416	4.0
71.04977	4.6
77.03954	2.1
79.05488	16.6
79.84216	1.9
81.07058	28.5
83.04967	8.3
85.02902	87.6
86.03220	2.4
91.05477	64.3
93.07043	24.7
95.04973	11.2
95.08616	18.6
97.06485	3.2
98.97522	3.1
99.04459	3.4
103.05447	4.0
105.03419	4.3
105.07027	59.9
107.04971	10.9
107.08600	34.9
108.05726	2.7
109.06519	16.6
109.10167	10.1
111.08071	3.0
117.07009	8.5
118.04150	4.6
119.04953	28.4
119.08575	58.0
121.06519	15.8
121.10136	32.1
123.08060	22.1
123.11707	54.0
125.06002	6.6
128.06197	7.9
129.07002	11.4
130.07777	7.4
131.04913	3.3
131.08562	20.9
132.01999	2.1
133.06470	9.3
133.10164	12.6
134.03580	2.4
135.08041	12.6
135.11674	3.0
137.05997	4.2
137.09575	6.8
141.06960	4.7
143.08571	11.3
145.06445	3.5
145.10107	27.7
146.03603	5.8
146.07263	5.8
146.10855	5.3
147.04417	21.6
147.08038	23.1
147.11664	54.1
148.05133	4.4
148.11197	6.1
149.02345	5.9
149.05960	2.8
149.09615	90.9
151.07555	13.9
156.09323	20.9
159.08051	5.5
159.11671	3.1
160.08830	7.2
161.05978	52.6
161.09604	21.7
161.13266	15.3
163.07547	3.1
163.11176	40.7
164.04694	5.6
165.12743	8.2
171.11702	17.5
174.03122	2.8
174.10429	13.1
175.03914	21.1
179.06990	15.3
179.14331	2.5
189.07510	4.0
189.09064	14.6
189.12726	62.7
192.04118	4.0
207.02885	4.3
207.06497	23.8
207.10260	3.8
207.13802	100.0
208.14133	3.7
227.18208	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
51.00173	0.3
53.03952	0.4
55.00380	0.3
55.01872	0.8
65.03935	0.9
67.05520	0.4
68.78436	0.3
68.99789	0.6
69.34779	2.7
69.35200	0.7
75.04483	0.4
78.04704	0.5
78.10604	0.3
79.05114	0.3
79.05492	1.9
79.07323	0.3
81.07053	0.5
91.05477	9.6
93.03416	1.1
93.07037	1.1
95.04977	2.1
95.08586	0.5
102.04664	0.4
103.05476	2.4
104.06243	0.7
105.03400	0.5
105.07029	5.3
106.04173	0.9
107.04950	1.5
107.08601	0.3
108.05722	1.5
109.06529	0.8
115.05437	4.0
116.06253	0.6
117.07012	2.3
118.04174	1.7
119.04946	6.8
119.08590	0.9
119.68130	0.3
121.02890	0.6
121.06502	4.5
123.04402	1.7
123.08074	1.0
128.86523	0.4
129.03360	2.2
130.04156	0.6
131.04927	3.8
132.05708	1.8
133.06485	17.9
135.04376	0.8
135.08098	0.7
136.05191	3.8
137.05975	0.7
138.06767	0.9
139.07567	0.5
143.06075	0.5
144.05658	0.4
145.06496	3.1
146.03651	2.0
146.07281	2.6
147.04425	5.1
147.08051	4.5
148.05215	0.8
148.08922	0.3
149.02344	6.5
149.05975	5.7
149.09569	0.8
151.07547	8.8
160.05196	1.5
161.05978	50.1
162.06671	1.4
163.03944	2.1
163.07529	4.5
164.04683	7.7
164.08321	1.2
174.03159	1.6
174.06767	0.7
175.07550	8.8
176.08322	100.0
177.05467	8.6
177.09026	5.4
178.06166	0.7
179.07057	6.0
179.10614	1.7
191.03325	0.4
191.07045	1.2
192.04135	2.5
192.07811	8.2
193.08224	0.4
207.06563	11.7
207.10152	28.8
208.10570	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1014
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
53.03946	0.3
55.01853	0.5
55.05489	0.7
56.96548	0.4
57.38627	0.3
65.03930	0.3
67.05490	0.7
69.03423	0.9
69.07040	0.4
69.75292	1.7
71.04986	0.5
75.04450	0.5
75.24442	0.2
78.04701	0.4
79.05499	1.9
81.03400	0.3
81.07052	1.1
83.04971	0.5
89.03902	0.3
91.05478	6.5
93.07034	1.2
95.04953	1.2
95.08587	0.5
102.04686	0.5
103.05464	2.5
104.06236	0.8
105.03345	0.6
105.07028	6.3
106.04211	0.3
107.04961	2.2
107.08569	0.9
108.05637	0.4
109.06478	1.2
109.10125	0.3
115.05443	5.0
116.06216	0.7
116.98608	0.3
117.03332	0.2
117.07020	3.0
118.04160	1.5
119.04948	2.2
119.08571	2.3
121.06497	4.8
121.10120	0.7
123.04421	0.5
123.08071	1.5
128.06233	0.8
129.03355	2.4
129.07022	1.3
130.04114	0.6
131.04918	4.4
131.08566	0.7
132.05699	2.8
133.02872	0.4
133.06487	16.7
133.10121	0.7
133.33115	0.3
134.07156	0.2
135.04372	0.5
135.08034	0.9
136.05203	0.7
137.05962	0.5
137.09610	0.4
138.06743	0.9
143.04956	0.4
143.05975	0.4
143.08560	0.3
144.05618	0.5
145.06483	3.5
145.10112	1.1
146.03604	1.0
146.07230	2.9
147.04434	1.5
147.08043	6.6
147.11668	0.8
148.08803	0.4
149.02353	0.8
149.05975	4.7
149.09593	1.8
150.06509	0.2
150.07747	0.2
151.07530	6.6
156.09360	0.5
160.05164	1.6
161.05971	53.0
161.09561	2.1
161.13295	0.5
162.06689	1.5
163.03925	0.8
163.07541	4.1
163.11182	3.3
164.04695	1.3
164.08350	1.4
165.09068	0.3
165.12694	0.5
171.11696	0.7
174.03064	0.3
174.06767	0.9
175.03992	0.4
175.07539	9.1
176.08316	100.0
177.05466	6.8
177.09055	6.0
178.06177	0.4
179.07079	1.5
179.10666	1.3
179.52782	0.3
189.09079	1.7
189.12718	1.3
191.06932	1.0
192.04128	0.6
192.07802	8.7
192.09361	0.8
195.58032	0.4
207.02849	0.7
207.06546	2.7
207.10152	30.2
207.13771	3.1
208.10678	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1015
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
53.03933	1.5
54.29702	0.4
55.01869	2.2
55.05502	2.4
56.96572	0.4
57.03416	0.9
57.07045	0.8
65.03934	4.5
66.04717	0.9
67.05502	4.9
68.99784	2.7
69.03412	1.9
69.07056	2.1
69.38206	4.6
71.04983	2.0
77.03911	1.0
78.04691	1.2
79.05490	6.0
80.06239	0.5
81.03411	1.0
81.07045	5.3
83.04984	1.1
85.02897	6.8
85.06550	1.0
89.03918	1.2
90.04686	1.0
91.05476	37.2
92.02588	0.6
92.05791	0.7
93.03407	3.0
93.07042	6.8
94.04162	0.6
95.01546	0.4
95.04962	9.3
95.08597	4.6
97.06502	0.5
102.04706	0.5
103.05457	7.7
104.06239	0.9
105.03381	2.4
105.04475	0.7
105.07026	16.7
106.04177	2.6
107.04955	4.1
107.08585	4.7
108.05745	3.8
109.06517	3.4
109.10142	3.3
111.04413	0.6
111.08031	0.9
115.05443	5.8
116.06230	1.1
117.06998	3.6
118.04158	7.2
119.04937	25.8
119.08576	9.3
121.02876	3.4
121.06503	11.2
121.10143	3.4
123.04419	7.3
123.08066	5.5
123.11694	4.1
125.05954	1.1
127.03931	0.8
128.06242	2.1
129.03325	2.3
129.07005	3.9
131.04922	6.2
131.08563	2.0
132.02080	0.6
132.05705	3.6
133.02827	1.2
133.06487	19.7
133.10136	3.4
134.03645	1.4
135.04453	2.5
135.08047	2.0
135.11708	0.8
136.05185	12.4
137.06010	2.1
137.09624	1.3
138.06686	1.1
139.07510	1.2
143.04903	0.6
143.08566	1.5
144.05699	0.5
145.02817	0.8
145.06470	4.7
145.10117	1.8
146.03616	10.3
146.07275	3.7
147.04407	19.4
147.08052	7.8
147.11702	4.7
148.05205	2.9
149.02336	28.4
149.05984	9.3
149.09618	4.8
149.13231	0.6
151.03912	2.6
151.07535	20.8
151.11134	0.8
152.07909	0.5
156.09366	1.0
157.06506	1.2
159.04358	0.6
159.08058	0.7
160.05205	1.7
161.05972	81.3
161.09579	9.5
161.13272	3.3
162.03075	0.8
162.06642	1.7
163.03918	8.0
163.07530	5.4
163.11192	1.5
164.04680	32.8
164.08330	1.8
165.05367	1.5
165.09070	0.6
165.12750	1.2
171.08038	0.6
171.11667	1.4
174.03111	8.4
174.06721	2.3
174.10406	0.6
175.03894	2.5
175.07530	9.2
176.08318	100.0
177.05460	9.4
177.09052	5.8
178.06177	0.8
179.03435	7.0
179.07019	28.6
179.10632	1.8
189.05432	1.7
189.09103	9.2
189.12724	8.8
189.16380	1.4
190.02664	0.5
191.03438	3.2
191.07039	1.0
191.08560	0.6
192.04182	11.4
192.07785	8.8
192.09383	1.0
207.02901	2.8
207.06529	49.8
207.10130	35.1
207.13722	9.1
207.17461	2.5
208.03612	1.0
208.06873	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01859	0.7
55.05506	1.6
56.21012	0.2
57.03428	0.5
57.07063	0.3
59.04972	0.3
59.18857	0.3
63.02380	0.2
64.55914	0.3
65.03931	0.9
67.05502	1.6
69.03413	1.0
69.07069	1.5
69.31358	2.7
71.04980	0.7
72.42680	0.2
79.05486	3.3
81.03368	0.3
81.07061	2.2
82.13029	0.2
83.04968	0.6
85.02898	1.2
85.06504	0.3
89.03917	0.4
90.46334	0.2
91.05477	13.5
91.87812	0.2
93.03417	0.3
93.07038	2.4
95.01321	0.5
95.04964	2.0
95.08606	2.7
97.06521	0.4
98.20786	0.5
103.05450	2.6
105.03362	0.4
105.07024	11.8
107.04933	2.5
107.08575	3.1
108.05746	0.4
109.02834	0.3
109.06498	1.7
109.10132	1.0
111.08056	0.4
115.05422	1.8
116.06258	1.2
117.07025	1.4
118.03379	0.4
118.04156	5.0
118.04922	0.2
119.04933	5.2
119.07704	0.4
119.08570	8.1
121.05676	0.3
121.06503	5.0
121.10146	2.0
123.04417	0.9
123.08063	2.4
123.11669	0.7
128.06207	2.8
129.07002	6.2
129.94736	0.2
129.98669	0.3
130.07774	1.1
131.04916	7.4
131.08572	3.4
132.05688	1.0
133.02844	1.0
133.06488	2.9
133.10117	4.9
134.03609	0.5
134.10443	0.3
135.04359	0.5
135.08060	1.0
135.11656	0.3
136.05202	0.7
136.94020	0.3
137.05951	0.8
137.09575	1.0
137.12009	0.3
143.08533	1.1
144.05696	1.1
145.06477	2.2
145.10144	1.2
146.03624	3.1
146.06142	0.4
146.07260	6.0
147.04408	2.5
147.08058	2.7
147.11682	5.2
148.05179	4.9
149.02365	1.8
149.05971	0.8
149.09589	2.5
151.03880	0.6
151.07544	2.0
151.11176	0.3
155.06021	0.3
156.09338	1.0
157.06534	1.3
158.07373	0.4
159.04411	0.5
159.08026	0.6
159.11743	0.3
160.08813	0.8
161.05974	100.0
161.09601	23.3
161.13248	14.4
162.06332	1.3
162.09959	0.3
163.03912	0.9
163.07475	1.2
163.11211	0.9
164.04665	1.9
164.08305	0.3
165.05441	0.6
165.09117	0.9
165.12740	1.0
171.08009	0.4
171.11670	1.0
174.03082	0.3
174.06760	3.0
174.10425	0.4
175.03922	1.6
175.07515	0.4
179.03398	0.8
179.07016	2.9
179.10590	0.3
179.14296	0.6
189.05486	0.9
189.09103	20.5
189.12714	5.9
189.16483	0.3
192.04172	0.8
207.02861	0.9
207.06480	4.9
207.10158	2.6
207.13797	8.1
207.17265	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1015
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
51.02388	0.3
53.03938	0.5
55.01860	0.6
55.05500	0.8
58.95924	0.2
59.04957	0.2
61.08732	0.2
65.03925	0.2
67.05502	1.3
69.03420	0.7
69.07043	0.7
71.04977	0.5
71.09081	0.6
71.09447	0.2
79.05489	2.6
81.03412	0.3
81.07048	1.5
83.04951	0.5
83.08608	0.4
84.40569	0.2
85.02892	0.9
88.22124	0.2
89.03943	0.3
91.05480	10.3
93.07037	1.7
95.04962	1.3
95.08600	1.4
97.06496	0.2
100.07631	0.3
103.05461	2.1
105.07026	8.5
107.04971	1.7
107.08591	1.8
108.05709	0.4
109.06508	1.6
109.10159	0.6
115.05443	1.1
116.06239	1.4
117.07011	1.3
118.04153	4.0
118.07829	0.2
119.04938	3.4
119.08575	3.6
121.06499	4.6
121.10163	1.8
123.04453	0.5
123.08054	1.9
123.11725	0.8
128.06215	2.7
129.06029	0.3
129.07013	6.0
130.07773	0.9
131.04929	6.3
131.08568	3.1
132.05679	0.7
133.02870	0.5
133.06491	2.1
133.10123	1.5
135.08047	0.9
135.11668	0.3
136.05185	0.4
137.05969	0.7
137.09605	0.8
137.13261	0.3
143.08534	0.5
144.05713	1.2
145.06471	2.2
145.10132	0.9
146.03639	2.7
146.07271	6.6
147.04401	1.3
147.08047	2.0
147.11690	2.6
148.05180	4.7
149.02364	1.0
149.05925	0.9
149.07109	0.3
149.09619	4.0
149.13293	0.3
151.07510	1.6
153.01842	0.3
155.06061	0.3
156.09360	0.6
157.06485	1.3
158.07242	0.6
159.04416	0.6
159.08041	0.9
160.08812	0.6
161.05975	100.0
161.09599	23.1
161.13193	1.7
162.06334	1.2
163.03935	0.3
163.07532	0.9
163.11182	1.1
164.04677	1.0
165.09093	0.4
165.12749	0.9
166.17712	0.2
171.08070	0.7
171.11697	0.8
173.05940	0.4
174.03238	0.3
174.06773	3.1
174.10350	0.3
179.03400	0.5
179.07066	1.1
189.09106	20.5
189.12660	2.4
189.16437	0.3
190.09483	0.3
192.04131	0.5
207.02876	0.7
207.06540	1.9
207.10129	1.9
207.13782	4.6
207.17358	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1015
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
53.03945	0.4
55.01846	1.1
55.05490	1.2
57.03436	0.3
57.07057	0.6
59.04979	0.8
65.03939	0.7
66.04749	0.3
67.05495	3.5
69.03423	1.5
69.07049	1.1
70.85912	0.6
70.86279	0.6
71.04973	0.8
77.03906	0.5
77.79917	0.3
79.05476	3.6
81.03410	0.4
81.07040	3.5
83.04971	1.0
83.08592	0.3
85.02897	9.4
85.06503	0.5
87.00806	0.3
89.03924	0.5
91.05472	14.5
92.05786	0.4
93.03386	0.3
93.07026	3.1
95.04955	2.3
95.08600	5.3
97.02883	0.3
97.06517	0.6
99.04453	0.3
103.05447	2.3
104.05798	1.2
105.03388	0.7
105.07018	9.8
107.04958	1.9
107.08601	4.1
108.05775	0.4
109.06503	2.3
109.10149	1.9
111.04457	0.5
111.07982	0.4
115.05408	1.0
116.06211	1.0
116.98587	0.4
117.06325	0.3
117.07005	1.8
118.04153	4.4
118.07834	0.3
119.04927	5.3
119.06850	1.3
119.08570	5.9
120.08102	2.5
121.02905	0.4
121.06501	5.2
121.08427	6.4
121.10129	3.8
123.04440	0.7
123.08052	5.4
123.11692	7.1
125.06004	0.7
128.06203	3.0
128.48628	0.3
129.06998	4.9
130.07777	0.9
131.04013	0.6
131.04912	6.2
131.08556	2.9
132.05724	0.6
133.02852	1.1
133.06490	2.5
133.09178	0.4
133.10095	2.5
134.99658	0.5
135.08026	1.3
136.05176	0.4
137.05925	0.6
137.09590	1.2
140.94019	0.3
141.05437	0.4
141.06960	0.5
143.08524	0.8
144.05692	1.3
145.06485	2.0
145.10112	1.2
146.03598	3.0
146.07251	5.8
146.10883	0.4
147.04391	2.2
147.06343	1.4
147.08025	2.9
147.11685	4.1
148.04134	0.5
148.05183	4.7
148.11201	4.9
149.02325	1.4
149.05916	0.6
149.09610	7.1
151.03885	0.5
151.07532	2.4
153.01816	0.6
155.06020	0.3
156.09335	1.4
157.06476	1.4
159.08028	1.1
160.08839	0.9
161.05965	100.0
161.09590	22.8
161.13223	2.5
162.06277	1.6
163.03954	0.4
163.07506	0.8
163.11186	1.5
164.04692	1.2
164.08369	0.4
165.05363	0.4
165.09056	0.8
165.12732	1.6
171.08038	0.4
171.11575	1.6
174.03058	0.5
174.06772	2.5
174.10435	1.1
175.03883	2.1
179.03404	0.6
179.07042	1.9
179.14211	0.4
189.07477	1.0
189.09077	22.1
189.12679	4.4
190.09549	0.3
192.04182	0.8
207.02911	1.3
207.06509	4.3
207.08362	0.7
207.10185	2.2
207.13774	8.5
207.17433	0.4
208.13326	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.3
51.02378	0.7
53.03945	0.5
55.01864	0.8
55.05499	0.6
56.96569	1.4
57.07074	0.5
65.03934	0.9
67.05502	1.6
68.99787	0.4
69.03422	0.7
69.07054	1.6
70.20848	0.9
70.21243	0.5
71.04976	0.5
77.03919	4.5
78.04690	0.4
79.05508	1.6
80.06266	0.4
81.03419	0.4
81.07047	1.1
83.04964	0.4
83.08624	0.3
85.02899	2.2
89.03907	1.5
91.05470	4.4
93.03400	0.5
93.07029	1.1
95.04967	5.0
95.08615	1.6
97.06541	0.3
98.97575	2.9
103.05464	0.6
103.96737	0.2
105.03386	12.4
105.04467	0.4
105.07044	2.3
107.04950	0.8
107.08583	1.6
107.85498	0.2
108.05756	0.5
109.02911	0.4
109.06522	0.6
109.10150	0.9
111.04424	0.3
111.08085	0.5
115.05461	0.3
116.98618	2.3
117.03382	1.0
117.07005	0.3
118.04182	0.6
119.04932	3.3
119.08593	1.2
121.02822	0.5
121.06497	1.4
121.10140	0.8
123.03574	0.4
123.04428	6.9
123.08099	1.2
123.11709	1.0
125.09594	0.3
128.06181	0.3
129.07010	0.5
131.04926	0.8
131.08539	0.3
133.02844	17.0
133.06464	1.4
133.10130	0.6
134.99617	1.0
135.04393	1.6
136.05165	1.3
137.02295	0.6
137.09612	0.3
145.10120	0.5
146.03598	1.3
146.07268	0.4
146.99615	0.4
147.04440	2.1
147.08049	0.6
147.11664	1.4
148.05148	0.3
149.02332	3.3
149.05968	0.5
149.09598	0.8
151.03893	40.3
151.07481	2.5
152.04266	0.3
158.99660	0.4
161.02322	1.7
161.06000	6.8
161.09546	1.4
161.13216	0.9
163.03940	0.8
163.11218	0.3
164.04674	3.5
171.11670	0.4
174.03111	1.1
174.10359	0.3
175.03893	0.8
175.07539	0.5
176.08313	3.9
177.00687	1.3
177.05432	0.6
179.03380	100.0
180.03740	1.7
189.09131	0.9
189.12729	1.0
192.04216	1.0
195.17442	0.4
207.02875	18.7
207.06508	5.6
207.10100	1.7
207.11690	0.3
207.12013	0.3
207.13809	2.1
207.17557	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0287
Annotation	Flaviolin
Peak:m/z	Relative Intensity
51.02378	0.8
51.50512	0.3
53.03937	1.3
55.01868	0.6
55.05508	2.4
65.03922	0.7
67.05500	1.7
69.03077	0.4
69.03425	6.0
69.53777	1.0
69.54192	1.3
77.03922	3.7
79.01839	0.3
79.05498	1.3
81.07039	0.5
83.04989	0.5
85.02927	0.3
89.03895	1.7
91.05473	4.8
93.07035	1.7
95.04966	4.5
95.08597	1.4
100.51521	0.3
103.05443	1.2
105.03384	11.5
105.04449	0.5
105.07010	3.5
107.04946	1.8
107.08571	1.4
108.05727	0.8
109.06524	1.8
109.10158	0.4
115.05466	0.5
117.03365	0.9
117.06993	1.0
118.04146	0.5
119.04965	1.5
119.08572	2.1
121.02863	0.3
121.06493	14.5
121.10139	1.1
123.04417	6.9
123.08052	3.9
123.11719	0.3
128.58821	0.3
129.06955	0.4
130.07779	0.4
131.04915	0.8
131.08577	0.5
133.02843	16.7
133.05487	0.4
133.06482	8.3
133.10091	0.8
134.03484	0.2
135.04399	1.1
135.08055	2.2
135.11646	0.4
136.05214	0.8
137.05811	0.3
137.09630	0.7
145.10094	0.5
146.03645	0.5
147.04333	1.4
147.08063	0.7
147.11676	1.3
149.02306	1.1
149.05907	0.4
149.09645	1.4
151.03891	40.3
151.07452	2.0
159.04300	0.3
159.08025	0.4
161.02328	0.9
161.04813	0.4
161.06000	3.1
161.09618	0.8
161.13219	0.7
163.03978	0.5
163.11169	18.7
164.04677	2.1
165.12701	0.5
171.11662	0.4
171.42737	0.3
174.03052	0.4
174.10474	0.3
175.03893	0.4
176.08318	0.8
177.05486	0.3
178.05664	0.3
179.03383	100.0
180.03688	1.8
189.09091	0.6
189.12688	1.8
192.04153	0.7
207.02879	17.1
207.06583	2.9
207.10225	0.7
207.13795	5.1
208.03284	0.6
216.45929	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32098	0.2
53.03934	0.4
67.18952	0.2
68.99782	0.7
70.02947	1.3
70.92969	0.3
70.93267	0.3
76.99735	0.2
77.03917	0.3
77.87269	0.2
79.05486	0.8
81.07060	0.2
85.02885	0.3
87.00819	2.1
91.05471	4.8
91.06007	0.3
93.07047	3.5
95.04975	1.1
95.08595	0.3
97.07666	0.2
98.13711	0.2
98.97542	0.2
100.07618	0.3
103.05464	17.5
104.05011	0.2
104.05784	0.4
105.07013	0.8
106.06549	0.6
107.04967	0.2
107.08609	0.2
108.71618	0.2
115.05437	0.3
116.98603	0.5
117.05749	0.3
117.06981	0.5
118.06543	20.6
118.64664	0.2
119.04943	0.8
119.08601	0.5
120.08101	100.0
121.06496	0.8
121.08405	1.5
121.10152	0.2
128.04951	1.8
129.07005	0.6
130.06509	1.1
131.04916	0.6
131.08566	0.3
132.08072	0.4
142.06500	0.3
144.08064	0.4
145.06480	0.6
146.06007	16.3
147.04375	0.5
147.06335	0.3
147.08049	0.3
147.11690	0.4
148.05141	0.5
149.02338	0.7
149.09579	0.5
150.02710	0.4
160.07611	0.8
161.04623	0.5
161.05981	9.1
161.09625	1.7
164.04784	0.3
164.07013	0.5
170.06079	0.5
175.03928	0.3
184.03073	0.2
188.07054	8.6
189.09109	2.0
189.12672	0.2
191.14328	0.3
206.08104	3.9
206.12047	0.2
207.06604	0.5
207.13885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01870	0.3
55.05506	0.4
56.96567	0.6
57.07059	0.6
58.06592	0.3
64.89192	0.3
65.03922	0.4
67.05499	0.6
68.99789	0.8
69.07081	0.3
69.92077	1.1
70.02942	1.1
71.05005	0.4
72.08164	0.4
77.03942	0.3
79.05499	1.2
79.83672	0.3
80.05023	0.2
81.07068	0.7
84.08142	0.9
85.02899	1.3
85.08475	0.4
87.00835	2.1
91.04359	0.2
91.05482	6.2
93.07044	3.6
95.04980	1.2
95.08594	0.6
97.02885	0.3
98.09723	0.5
98.21426	0.3
98.97579	0.7
100.07607	1.5
103.05466	18.2
105.01864	0.4
105.03355	0.3
105.07019	1.7
106.06559	1.4
106.07240	0.3
107.04939	0.4
107.08588	0.8
109.06550	0.3
115.05444	0.7
116.98627	0.5
117.05750	0.5
117.07018	0.6
118.04176	0.6
118.06543	20.2
119.04931	1.6
119.08599	0.9
120.08103	100.0
121.06482	1.0
121.08418	1.3
121.10148	0.5
122.06916	0.3
123.08092	0.6
123.11707	0.7
128.04967	2.4
128.05991	0.4
129.07018	0.5
130.06517	1.4
131.04932	0.8
131.08517	0.8
132.08099	0.8
133.06491	0.3
133.10117	0.5
134.99692	0.6
139.09430	0.3
142.06512	0.5
144.08069	0.5
145.06548	0.4
146.03632	0.8
146.06007	15.0
146.06992	0.6
147.04405	1.0
147.06291	0.3
147.08047	0.7
147.11655	0.5
148.05185	0.4
148.08447	0.3
149.02356	0.9
149.09550	0.8
150.02699	0.9
151.07558	0.4
160.07501	1.4
161.05977	9.6
161.09624	1.7
164.04704	0.3
164.07074	0.5
170.06006	1.1
174.06750	0.3
175.03870	0.9
178.13077	0.3
179.07086	0.4
188.07051	8.3
189.09033	2.3
189.12711	0.3
191.14357	0.6
201.00685	0.5
206.04320	0.3
206.08128	4.8
206.12239	0.4
206.15451	0.5
207.06567	0.7
207.13902	0.7
222.60667	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0814
Annotation	Oxyhydrastinine
Peak:m/z	Relative Intensity
55.01889	1.0
55.14251	0.6
56.05035	1.1
56.96562	1.7
57.03440	0.9
57.07060	1.1
58.06617	0.9
64.59807	0.6
65.03945	10.4
67.05505	100.0
68.05843	1.1
69.03427	2.6
69.07071	31.7
79.05490	2.7
80.05013	1.1
81.07043	1.3
82.02924	2.2
82.06582	1.8
83.01352	1.3
83.06123	0.7
84.04509	10.7
84.08131	2.5
85.02898	1.0
91.05483	3.3
93.07031	1.1
94.02922	1.8
94.06551	2.6
95.04970	76.7
95.08615	0.9
96.05258	1.1
96.08162	0.7
97.02871	1.1
98.09677	1.2
100.07654	3.4
100.11233	1.4
103.05450	1.4
105.03219	0.6
105.07015	5.2
106.06567	1.3
106.07375	1.0
107.04951	1.3
107.07336	1.0
107.08581	1.4
108.04494	0.9
109.06561	1.0
109.07645	0.8
110.02377	3.5
110.06058	7.0
112.11251	1.1
113.05994	8.7
115.05386	1.5
116.07110	1.0
117.05776	0.9
117.12444	0.7
118.06567	1.1
119.04913	1.3
119.08593	0.9
120.08117	1.4
121.02844	0.7
121.06476	1.8
121.08910	0.7
122.03189	0.9
122.06054	1.4
122.06983	0.8
122.09693	3.3
123.04404	1.3
123.08031	1.1
128.98601	1.0
130.12276	0.8
132.04446	0.9
132.08072	2.3
133.06474	2.8
134.06020	1.0
135.04495	0.8
135.06796	0.8
135.08000	1.0
136.07564	0.9
146.05931	0.9
146.99629	0.9
147.04437	1.0
148.07542	1.6
149.02345	2.1
149.06018	0.8
149.08351	1.3
149.09525	0.7
150.02676	4.6
150.09145	18.2
150.10335	0.9
160.07590	3.8
161.05984	2.0
162.09102	0.7
164.04669	1.0
172.31348	0.8
178.05026	2.2
178.08636	56.1
179.07098	1.1
179.08864	0.7
179.12891	0.9
188.07065	1.9
191.14313	3.2
192.04105	0.9
201.00710	1.3
206.08127	49.5
206.11790	2.0
207.06451	1.8
207.08363	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0446
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
52.19089	0.2
56.96566	0.4
68.05016	0.3
70.82076	0.2
70.82427	0.5
86.89839	0.2
95.04959	0.3
98.21421	0.2
104.04986	0.9
105.03371	0.2
110.06026	0.3
116.09285	0.2
132.04445	32.5
133.04807	0.3
149.02278	0.2
150.02657	0.5
150.05402	0.2
160.03958	0.5
173.58282	0.2
178.04984	100.0
179.03940	0.2
179.05313	1.5
182.99637	0.4
191.14275	0.3
200.51550	0.2
201.00690	2.5
206.04475	40.2
207.04843	0.6
219.01685	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0448
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
52.93744	0.2
56.96551	0.5
58.51924	0.2
68.05019	0.3
68.09070	0.2
68.99821	0.2
70.36001	0.7
72.21961	0.2
84.08154	0.3
91.05469	0.2
95.04962	0.5
97.02937	0.2
104.04992	0.7
105.03407	0.4
132.04449	29.3
133.04788	0.2
149.02290	0.3
150.02701	0.6
160.03914	0.6
178.04990	100.0
179.05403	1.5
180.05412	0.2
191.14328	0.3
206.04483	41.9
207.04791	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03480	0.6
55.01871	0.9
56.05029	1.0
56.96560	1.0
57.03440	1.0
57.07076	0.5
57.21317	0.5
62.61404	0.4
65.03939	10.7
67.05503	100.0
68.05040	0.9
68.05820	0.5
69.03445	1.1
69.07068	15.5
71.04979	0.5
71.57043	0.5
79.05482	3.9
80.05033	0.7
81.03433	0.9
81.07040	1.2
82.02948	0.8
82.06573	2.0
83.01337	1.4
83.06096	0.7
84.04502	11.7
85.02908	1.5
85.74708	0.5
91.05483	2.5
93.07043	0.9
94.02943	1.6
94.06554	2.6
95.04967	76.2
95.08622	0.6
96.04507	0.9
97.02877	0.6
103.05463	0.8
105.07039	4.5
106.06522	1.4
107.04960	1.0
107.07345	1.2
107.08598	1.9
108.04453	0.5
108.08114	1.1
109.06481	0.8
109.07639	0.7
110.02419	3.2
110.06046	8.3
113.06008	6.3
115.05448	1.2
117.05773	1.4
117.07059	0.5
118.06557	0.8
120.05600	0.4
120.08128	0.6
121.02847	0.4
121.06503	0.5
122.03245	0.5
122.06042	1.2
122.06999	0.7
122.09663	3.5
132.04428	0.7
132.08124	1.7
133.06476	1.8
135.04465	0.6
135.06790	1.0
135.08087	0.6
136.05185	0.6
136.07494	0.7
146.02405	1.0
146.05948	0.7
147.04408	1.4
147.08066	1.1
148.07500	0.8
149.02350	2.1
149.08369	1.4
150.02673	2.9
150.09135	18.2
150.10333	1.0
150.37746	0.5
160.07507	3.5
161.05954	2.7
164.04750	0.6
178.05234	1.3
178.08629	56.3
179.03519	0.7
179.07175	0.6
179.08955	1.2
188.07834	0.5
191.05644	0.5
191.14301	2.0
194.41003	0.5
206.08119	49.5
207.02821	0.9
207.06557	1.2
207.08377	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1586
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
53.03930	1.2
55.01859	1.1
55.05500	4.8
56.96568	1.4
57.07072	7.1
57.23616	0.9
63.02393	1.0
65.03934	4.0
67.05495	5.9
69.03424	2.1
69.07054	5.0
70.83660	3.3
71.04599	1.7
71.04990	34.4
79.05486	7.6
81.03397	1.8
81.07061	19.4
83.04974	1.4
83.08588	2.0
84.08120	3.0
85.06509	1.5
90.57868	1.2
91.05476	12.7
93.03393	1.4
93.07046	20.5
95.04958	6.8
95.08604	20.9
97.02862	1.4
97.06510	3.5
99.08109	1.6
100.07601	4.5
100.08202	1.0
103.05450	1.8
105.07028	49.8
107.08598	19.4
109.06511	4.8
109.10126	4.7
111.04418	1.4
111.08082	2.7
113.09649	13.2
115.05419	7.5
116.06281	1.5
117.07020	11.0
119.08582	19.8
121.02900	7.1
121.03669	1.6
121.06477	4.6
121.10147	12.4
123.11686	2.0
128.06183	1.3
128.07095	1.7
129.06996	2.2
130.07738	2.2
131.08565	19.6
133.10107	3.3
135.08032	3.5
135.11703	4.1
137.09601	2.1
140.64247	1.0
143.08589	2.4
144.09323	2.3
145.06477	15.7
145.10118	42.4
147.07970	1.8
147.11684	38.3
149.02342	37.9
149.06046	1.3
149.09595	6.3
149.13206	2.8
155.05986	1.7
157.10135	1.4
159.04538	1.3
159.11665	13.3
161.05989	1.4
161.13248	7.0
162.10388	1.4
163.11205	3.5
163.14819	5.3
173.05983	7.6
175.07538	2.9
177.12770	7.1
177.16397	1.6
187.07581	1.5
187.11313	3.4
187.14816	43.0
188.15123	1.6
190.06230	1.4
190.09946	5.1
197.57367	1.1
205.04985	2.0
205.08630	5.4
205.12375	19.6
205.14322	4.9
205.15872	100.0
206.16200	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.195
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
53.03932	2.0
55.05508	15.8
57.06824	1.7
57.07075	20.2
65.03937	8.9
67.05507	12.8
67.86584	1.2
69.07063	27.2
71.58385	2.0
77.90788	1.1
79.05490	12.4
81.07050	39.5
83.08616	10.3
84.04476	1.8
91.01832	1.2
91.05463	8.0
93.03357	2.6
93.07037	49.3
95.04948	3.9
95.08598	34.7
97.02882	1.6
97.10166	7.9
105.07034	9.4
107.04894	1.4
107.08595	43.2
109.06513	1.9
109.10155	30.0
111.11694	2.3
117.06985	3.4
119.08583	5.1
121.02851	16.0
121.03855	2.6
121.06491	4.0
121.10139	56.2
122.10463	2.0
123.08051	1.5
123.11697	14.1
129.82787	1.4
131.08553	2.5
133.10094	1.9
135.11693	27.6
137.13219	1.7
139.23006	1.3
145.10089	4.2
149.02338	100.0
149.13255	46.3
150.02664	3.8
150.13568	1.5
159.11580	2.1
163.11148	1.6
163.14775	6.0
167.03374	3.7
177.12730	3.2
180.18364	1.2
190.11792	1.4
192.76846	1.3
195.85515	1.4
205.05078	1.3
205.12196	4.5
205.14119	7.6
205.15616	7.9
205.19473	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	205.1224
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02387	0.5
53.03945	3.7
55.01872	1.4
55.05510	0.8
56.96563	0.7
57.07072	2.4
59.04985	0.3
60.04522	0.4
65.03956	1.7
67.05510	1.7
67.08566	0.3
69.03433	1.1
69.05318	0.3
69.07075	0.8
71.04995	0.5
71.14670	0.8
77.03951	0.7
79.05500	2.4
81.03426	1.3
81.07050	1.2
83.04980	1.1
84.04514	0.4
84.08128	0.7
85.02897	1.0
85.06509	0.4
91.05485	21.7
93.03413	0.5
93.07048	62.9
94.07371	0.6
95.04976	9.4
95.08636	0.7
97.02896	0.7
97.04869	0.3
98.03229	0.5
98.97560	0.5
99.04440	0.3
100.07587	0.7
103.05455	4.0
103.41899	0.3
105.04530	1.6
105.07039	2.5
107.04988	1.0
107.08595	1.6
109.02887	0.5
109.06537	0.5
109.10165	0.4
111.04449	0.7
115.05468	1.0
116.06178	0.3
117.07010	2.6
119.05007	0.3
119.08588	1.9
121.02919	2.4
121.06510	100.0
121.10151	1.3
122.06834	1.0
123.04450	0.3
124.92289	0.3
127.07520	0.5
128.06250	0.4
129.06998	1.1
130.07907	0.4
131.04919	0.8
131.08603	2.6
133.06528	0.7
133.10152	0.4
133.83809	0.3
135.08069	1.1
135.11688	1.1
141.06967	0.5
144.09326	1.0
145.06512	1.4
145.10138	1.9
147.04427	0.4
147.08057	0.9
149.02348	14.2
149.05923	0.5
149.09631	0.9
159.08069	1.2
159.11687	2.9
161.05975	0.7
162.10478	0.6
163.07552	0.6
163.11186	1.8
175.11278	0.6
177.05544	0.6
177.09120	1.1
177.12738	2.8
187.07631	0.8
187.11186	0.9
205.04927	0.7
205.08688	1.7
205.12263	10.5
205.14114	0.6
205.15883	0.8
215.49760	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0494
Annotation	1,4-Dihydroxy-6-naphthoate
Peak:m/z	Relative Intensity
53.03949	2.0
55.01875	7.4
57.07059	1.0
65.03927	0.6
68.99779	0.7
69.51837	3.7
77.03921	1.1
78.37628	0.4
79.05486	1.4
89.03945	0.5
91.05473	3.5
93.07027	2.7
95.04956	4.7
98.21488	0.7
98.97569	0.5
102.04689	1.3
103.05467	30.3
105.04515	0.5
105.07027	1.3
107.04968	1.0
107.08591	0.6
109.02863	0.6
115.05449	8.9
116.98611	0.4
117.07018	6.1
117.07772	0.7
119.04984	0.5
119.08516	0.9
121.02882	0.9
121.06505	2.8
123.04433	1.1
123.80917	0.4
130.04204	0.6
131.04927	91.1
132.05276	1.5
133.67635	0.5
135.04420	0.5
138.97343	0.5
145.02847	0.7
145.06479	8.6
145.10107	3.1
149.02347	4.8
149.06000	4.0
154.97292	0.5
155.06042	2.1
159.04411	100.0
159.11685	1.4
160.04791	1.8
161.05962	0.7
163.03900	6.4
163.11084	0.5
173.05983	3.6
176.03264	0.5
176.04680	2.0
177.05469	32.2
178.05832	0.6
187.03899	8.3
190.06250	0.6
205.04956	62.3
205.12254	2.0
205.15813	1.1
206.05252	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0495
Annotation	1,4-Dihydroxy-6-naphthoate
Peak:m/z	Relative Intensity
51.02375	0.8
53.03942	1.6
55.01870	9.2
55.05510	0.7
57.07058	1.2
57.43191	0.5
63.02369	0.5
65.03931	0.9
67.05483	1.1
68.99786	1.0
69.03429	1.2
69.07072	0.7
69.65060	0.6
69.80940	3.2
71.04978	0.7
73.28834	0.5
77.03928	1.2
79.05489	2.9
81.03405	1.1
81.07050	1.9
87.27724	0.6
90.82835	0.5
91.05473	4.7
93.03432	0.8
93.07037	5.5
95.04964	4.8
95.08583	0.8
95.29520	0.5
97.02931	0.6
97.06464	0.5
98.20823	0.7
98.97610	1.2
102.04670	1.3
103.05458	30.6
105.04504	0.7
105.07017	6.4
107.04953	1.3
107.08595	2.5
109.02868	1.3
109.06486	1.6
115.05445	3.7
116.06238	0.6
117.07012	5.2
119.08558	2.8
121.02847	1.7
121.06495	3.6
121.10110	1.3
123.04431	1.7
123.27188	0.6
129.06993	0.9
130.07770	2.2
131.04922	98.0
131.08521	3.8
132.05249	1.2
133.10182	0.8
135.04419	1.3
135.07985	0.9
135.11646	0.9
143.08507	1.0
144.09328	1.4
145.02855	0.6
145.06520	2.7
145.10121	19.6
149.02332	9.0
149.05963	4.2
149.09659	1.2
149.13332	0.8
159.04408	100.0
159.08064	2.0
159.11699	6.5
160.04765	1.1
161.05994	0.6
163.03868	5.7
163.11176	1.5
163.14865	0.7
173.05995	1.2
176.04643	2.7
177.05458	33.5
177.12715	1.4
178.05798	0.7
187.03883	8.6
187.11192	3.0
190.09908	0.7
205.04956	72.4
205.08466	1.9
205.12257	6.2
205.14014	0.8
205.15855	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03942	1.9
55.05511	10.4
57.07068	2.4
58.23233	1.0
60.04513	2.2
67.05502	30.4
68.05003	1.5
68.69718	1.0
68.99710	0.8
69.07071	11.5
70.64643	2.6
77.03954	0.9
79.05486	17.8
80.00614	0.8
81.07053	61.4
83.08617	2.4
84.04504	4.4
85.02909	1.5
91.05474	23.1
93.07037	33.3
95.04948	3.1
95.08601	91.0
96.04478	3.6
96.08940	1.7
97.02897	5.3
97.10154	2.0
98.06065	1.1
103.05433	1.1
105.07027	63.3
107.08588	57.9
109.10150	59.2
110.06008	0.9
114.05582	4.4
115.05442	6.0
117.06992	4.6
119.04965	1.0
119.08575	51.5
121.09321	2.0
121.10137	24.3
123.11700	9.9
124.49512	0.9
126.05524	4.8
128.06230	1.6
129.06972	2.8
131.04884	1.7
131.08542	3.7
132.05719	3.4
133.06473	3.1
133.10123	39.2
135.11725	5.6
142.07753	1.6
143.04915	1.9
143.08549	3.1
144.09206	1.1
145.06471	1.9
145.10097	5.5
147.08018	2.6
147.11682	68.7
148.12405	1.2
157.08896	1.9
157.10106	3.3
159.11676	4.0
160.05164	6.5
161.05977	1.2
161.09601	1.7
161.13246	20.5
168.51309	0.9
171.04405	1.6
172.05197	1.1
175.07545	9.6
175.11226	1.5
175.14828	10.4
185.13232	1.8
188.04704	5.2
189.07802	4.5
200.43553	0.9
203.06798	10.2
203.10597	4.5
203.14311	5.3
203.17949	100.0
204.08696	2.2
204.13857	7.8
204.18271	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	204.0866
Annotation	N-(methoxyacetyl)-4-hydroxyproline
Peak:m/z	Relative Intensity
53.03944	4.1
53.69505	1.4
55.01875	3.2
55.05499	2.3
56.05030	5.6
57.03434	9.1
58.06598	3.4
60.04528	22.1
61.02924	13.3
65.31938	1.5
67.05502	2.2
68.05029	67.4
69.03429	14.6
69.82874	10.0
70.06589	4.8
71.01343	2.9
71.04987	3.8
72.04514	13.6
73.02926	7.3
74.06091	6.0
76.03995	1.5
80.05025	2.2
81.03416	9.3
82.06593	4.0
84.04505	38.6
85.02898	18.1
86.06072	14.0
91.03934	2.2
94.06569	4.1
95.04953	1.9
96.04492	82.2
97.02892	100.0
98.06056	18.0
99.04454	6.8
100.03973	4.8
101.02376	5.4
102.00973	2.1
102.05565	3.7
102.25988	1.6
109.02901	3.3
110.06044	32.2
111.02904	2.0
111.04462	2.6
112.03936	2.2
112.07623	3.2
113.02346	2.2
114.04713	3.1
114.05527	54.1
115.03944	1.8
115.06314	2.9
115.96838	1.4
119.01920	12.6
120.01989	12.2
121.01692	4.0
121.73206	1.5
122.06030	9.5
124.03960	3.9
126.05517	52.9
127.03925	8.0
128.07082	1.9
131.01958	2.7
131.51962	1.7
137.02890	2.1
138.03079	2.9
138.05525	16.2
140.07072	5.6
143.01881	3.6
144.02043	4.5
144.06482	7.1
145.04944	1.9
150.05489	3.4
156.06578	7.4
157.03511	1.5
158.08138	2.2
161.02979	6.8
162.03119	12.6
163.02686	5.0
168.06569	17.1
173.03003	5.5
174.03108	1.8
174.07581	3.1
176.09283	2.3
186.03096	1.6
186.07605	7.2
204.05739	8.3
204.08644	37.0
204.10413	2.3
204.13957	2.9
205.06721	1.7
222.05234	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1431
Annotation	Penidienone
Peak:m/z	Relative Intensity
50.74253	2.2
53.03941	7.1
55.01859	5.3
55.05511	18.6
55.28880	2.0
57.03474	2.4
57.07058	2.8
60.04515	4.7
65.03934	5.8
67.05499	34.0
68.05018	5.1
69.03429	36.9
69.07062	13.7
79.05493	21.4
81.03412	4.8
81.07050	50.5
83.04984	16.5
83.08592	2.6
84.04498	5.6
85.40174	2.4
88.66544	2.1
91.05481	36.7
93.07029	25.8
95.04959	19.4
95.08612	20.1
96.04482	8.2
97.02881	9.6
97.06525	7.8
98.20737	6.1
105.07024	53.7
107.04942	5.4
107.08585	18.9
109.02851	2.6
109.06510	23.2
109.10122	8.2
110.06116	2.7
113.06457	2.2
114.05517	6.5
115.05418	9.4
117.07030	14.5
119.04913	3.1
119.08581	66.9
121.06506	4.9
121.10125	21.2
123.08038	3.6
126.05522	10.4
128.06221	9.5
129.07042	16.2
130.07779	2.5
130.56485	2.5
131.08563	17.5
133.06467	5.1
133.10126	100.0
134.10448	4.2
135.08047	4.6
135.11688	2.8
136.11932	2.1
141.06992	2.6
142.07768	9.2
143.08530	12.9
144.09282	3.5
145.06485	5.3
145.10107	30.4
146.07239	5.5
147.08069	23.6
147.11676	23.8
149.09610	4.0
155.08617	5.0
156.09372	2.4
157.06477	5.9
157.10072	12.4
159.08061	5.0
159.11684	13.6
160.05217	5.0
160.08873	3.6
161.05980	3.3
161.09625	44.6
161.11971	3.7
161.13255	54.5
170.10941	15.0
173.09642	25.9
173.13316	4.5
174.10373	5.1
175.07518	8.6
175.11162	11.6
175.14825	43.1
185.06104	3.1
185.09705	3.2
185.13290	22.1
188.11993	30.7
203.06970	16.3
203.10719	11.3
203.14307	92.9
203.16211	5.4
203.17958	9.3
204.08617	6.1
204.13774	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11596	2.7
56.67059	2.8
56.96559	10.9
57.03424	6.4
61.02922	3.8
68.05019	5.9
69.03414	4.6
70.06590	2.6
71.57003	5.2
73.02906	8.4
77.00897	3.2
77.04592	2.2
84.04470	2.7
85.02903	7.1
86.73571	2.2
92.30718	2.8
96.04475	5.7
97.02898	11.2
98.97578	4.0
101.00875	27.2
107.76376	2.3
110.06026	2.6
114.05550	4.1
116.98636	4.0
119.01910	100.0
120.02016	3.0
124.89268	2.0
126.05490	3.6
127.76019	2.3
131.01865	18.3
133.03491	2.7
134.99632	3.9
137.02957	21.3
138.05467	2.4
141.64905	2.5
142.03561	2.6
143.01901	36.1
145.03506	3.9
147.01396	3.8
155.01839	5.3
157.03452	4.9
161.02953	96.4
162.03195	2.7
173.02919	12.9
179.04024	2.7
184.04584	3.2
185.02988	3.6
191.04004	3.7
203.05312	71.6
204.08611	4.6
221.05023	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	203.0523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	18.2
55.05494	3.1
56.96558	18.5
57.03431	47.2
58.99844	2.9
59.04992	28.3
60.04522	2.1
60.65136	2.2
61.02919	8.3
67.05497	2.9
68.05031	9.2
69.03432	13.6
70.06586	5.4
71.04981	7.3
71.42274	2.0
71.56291	3.4
72.04490	1.8
73.02930	10.3
75.04471	6.5
77.00901	4.0
81.03393	5.0
81.07078	2.6
81.26787	2.2
81.83588	1.8
83.04989	4.6
84.04482	5.8
85.02905	17.8
86.09718	2.4
87.04471	5.4
89.02399	2.3
92.01315	2.3
95.01331	4.7
95.01958	2.3
95.04945	2.7
96.04478	10.8
97.02884	15.8
98.06053	4.7
98.97559	3.4
99.04440	3.6
101.00854	9.9
101.05985	2.9
102.02460	2.4
105.07063	2.4
106.76421	2.0
113.02370	8.4
114.05508	9.8
115.02398	3.1
116.07018	2.7
116.98618	6.6
119.01915	59.3
119.08551	2.5
120.02089	1.8
121.01673	5.2
126.05513	8.8
127.03921	3.6
128.02301	2.2
131.01884	12.7
133.03442	6.0
134.99649	3.3
137.02968	19.6
138.05511	3.8
139.02730	2.2
142.03522	2.4
143.01888	24.5
144.04707	1.9
145.03474	7.8
146.99655	3.0
147.01355	3.3
149.02966	6.6
151.97656	2.0
155.01860	3.8
157.03462	8.7
157.07605	2.1
161.02946	60.2
161.09732	2.3
162.03046	3.1
163.04543	2.6
170.10883	2.2
171.02834	17.5
173.02966	15.2
174.98605	2.7
175.04478	4.7
179.04031	2.9
180.05183	2.2
184.04576	4.3
185.02924	5.1
191.04071	2.9
203.05302	100.0
203.10577	2.9
203.14351	5.7
204.08698	5.5
215.03986	2.4
221.05032	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	203.1065
Annotation	Ligujapone
Peak:m/z	Relative Intensity
53.03937	1.7
55.01873	50.5
55.05507	6.3
57.07046	1.8
60.04509	1.6
65.03914	2.1
67.05509	9.0
68.05013	1.5
69.03419	2.5
69.07049	5.2
71.04966	1.5
79.05128	1.2
79.05496	12.3
81.07055	11.4
83.04981	3.7
83.08592	1.7
84.04481	4.4
85.02893	1.6
91.05479	50.8
93.07059	10.5
95.01909	1.3
95.04947	4.4
95.08610	9.7
96.04489	2.1
97.02861	4.0
98.21516	3.0
103.05446	4.2
105.07029	72.2
107.04932	5.3
107.08586	6.7
109.10132	6.6
114.05506	2.8
115.05450	8.3
116.06205	3.2
117.06226	1.5
117.07022	21.2
119.04962	9.1
119.07811	2.0
119.08585	32.0
121.06492	3.3
121.10110	3.4
126.05499	5.3
128.06215	14.2
129.07011	31.0
130.07753	1.5
131.04893	2.1
131.08574	22.8
131.11285	1.2
132.05646	2.1
133.06500	30.6
133.10127	39.3
135.11682	1.3
141.06987	4.8
142.07767	14.8
143.04892	1.3
143.08569	28.7
145.06499	5.7
145.10104	2.0
146.07248	1.6
147.04425	1.5
147.08026	8.6
147.11691	26.0
149.02632	1.2
155.08292	1.2
157.06462	4.0
157.08951	2.2
157.10133	29.2
159.08052	22.3
159.11710	4.5
160.05168	2.3
160.08821	1.6
160.12361	1.3
161.05971	7.6
161.09628	26.0
161.13275	5.3
167.08521	3.3
170.07332	1.5
170.10896	1.2
173.09654	2.3
174.06731	1.4
175.07587	2.7
175.11189	16.4
175.14738	2.6
180.05684	2.5
185.09586	14.9
185.13188	3.1
198.06708	6.0
199.06311	1.5
203.10660	100.0
203.14163	10.2
203.17914	13.8
204.08698	1.7
204.13795	4.4
216.07762	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1484
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
53.03946	10.1
55.01858	3.9
55.05511	64.4
57.03434	9.7
57.07063	6.2
59.05000	13.9
61.02921	4.0
65.03892	1.9
67.05502	57.9
69.03418	3.0
69.07062	15.2
70.51085	1.8
70.58858	6.5
70.59201	1.7
71.01341	7.1
71.04989	15.0
73.06567	13.6
79.05495	39.6
81.03411	18.3
81.07051	100.0
83.04969	13.0
83.08626	13.0
85.02884	5.5
85.06543	26.5
87.04474	11.9
87.85706	1.7
90.45846	1.7
91.05482	22.3
93.07040	9.7
95.04975	12.9
95.08601	14.0
97.06532	26.8
97.10159	4.4
99.08075	3.8
101.05994	4.6
105.07034	25.8
107.08595	18.0
109.06524	20.7
109.10138	6.3
111.08084	7.1
113.05991	25.0
115.05455	2.9
117.06996	5.1
119.08549	3.7
121.10159	2.7
123.08076	11.3
123.11684	11.0
125.09554	4.4
129.06972	3.3
130.07780	3.0
131.08563	8.7
133.10097	10.0
135.08012	1.8
141.06935	2.4
145.06462	2.9
145.10114	12.0
151.11188	2.3
155.08638	2.7
158.07277	2.9
159.08008	2.2
159.11707	9.1
165.12761	14.8
173.09653	3.0
173.13237	3.2
183.13789	16.1
187.40736	2.1
201.09117	5.9
201.12907	4.0
201.14629	9.5
201.16423	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.7
55.01858	6.8
55.05511	52.1
56.96553	3.3
57.03421	6.8
57.07056	7.1
59.04986	7.0
61.02906	2.1
65.03923	2.5
67.05499	51.8
69.03419	5.9
69.07069	15.3
69.76913	12.1
71.01334	5.9
71.04991	12.1
73.06535	9.4
79.05060	2.8
79.05489	40.7
81.03413	21.1
81.07049	100.0
83.04967	11.1
83.08620	11.9
85.02871	8.1
85.06536	19.3
87.04457	6.0
91.05470	45.0
93.07030	24.6
95.04968	14.2
95.08607	29.3
96.08943	2.7
97.06522	20.6
97.10156	4.0
99.08073	4.6
101.06005	4.7
103.05430	5.6
105.07021	57.4
107.08571	33.7
107.77818	2.4
109.06516	15.3
109.10134	11.5
111.08054	4.3
113.06003	22.0
115.05439	15.8
116.06239	4.7
116.98611	3.0
117.07008	36.0
118.96745	4.0
119.08576	24.5
121.06430	2.5
121.10114	11.0
123.08038	9.9
123.11689	9.6
125.09557	2.8
128.06168	12.1
129.07002	24.4
130.04105	3.7
130.07776	12.6
131.04912	4.6
131.08559	70.8
133.06479	2.1
133.10117	24.6
134.99673	2.8
139.11125	2.6
141.03300	10.8
141.06963	14.1
142.03673	2.0
142.07774	6.2
143.08525	18.8
144.05673	4.2
144.09315	8.5
145.06453	17.2
145.10110	100.0
147.11635	2.8
151.11047	3.9
153.07013	4.7
153.12730	2.1
154.07693	2.6
155.08508	18.4
157.06512	4.7
157.10112	17.4
158.07256	10.5
158.10901	7.7
159.04344	2.7
159.08081	13.4
159.11679	81.3
165.07069	3.4
165.12762	12.0
168.09372	2.7
169.06462	4.0
171.08177	3.0
171.11650	5.2
172.08788	3.9
172.12418	2.6
173.05984	7.3
173.09607	23.5
173.13242	30.5
183.08069	4.7
183.11687	10.7
183.13814	9.8
184.03400	2.9
186.06728	4.9
186.10376	3.3
186.14003	3.8
191.07016	7.5
201.05438	16.8
201.06911	5.4
201.09077	43.7
201.12811	45.3
201.14793	9.5
201.16374	93.8
202.09500	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	201.1272
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
55.01859	2.0
55.05505	5.8
56.96565	2.3
57.03416	1.7
57.07071	1.0
65.03915	1.5
67.05502	9.3
69.03411	2.4
69.07051	4.4
69.94018	3.6
69.94426	1.6
71.04989	2.1
71.99390	1.0
77.03931	1.2
79.05480	5.3
81.03416	1.6
81.07049	13.9
83.04971	2.6
83.08612	2.1
85.02907	10.5
85.06525	3.0
91.05466	16.3
92.30562	0.9
93.07037	6.0
95.04959	3.9
95.08607	5.1
98.97565	1.8
99.08040	1.4
103.05473	2.0
105.07024	16.9
107.04916	1.0
107.08576	4.9
109.06517	2.3
109.10135	3.1
113.06006	1.4
115.05455	16.5
116.06257	2.0
116.98594	3.1
117.07021	12.8
118.96764	1.4
119.07792	2.0
119.08572	22.6
121.06464	2.4
121.10123	2.4
123.11710	5.8
127.05415	1.0
128.06212	10.8
129.06999	17.9
130.07788	8.7
131.08562	42.7
133.10126	41.4
134.99657	2.8
140.06189	1.6
141.06979	52.7
142.07849	4.7
143.04938	1.2
143.08551	37.0
143.09680	1.8
144.05669	3.4
144.09363	7.6
145.06480	9.2
145.10110	38.5
146.90521	1.0
147.11699	1.7
152.06198	1.2
153.06947	4.4
155.04936	1.2
155.06075	1.0
155.08539	6.2
156.09341	3.0
157.06506	6.2
157.10112	7.2
158.07275	39.2
158.10904	41.9
159.08058	16.4
159.11684	17.9
160.03940	3.9
160.08742	1.2
161.09653	1.8
165.07047	1.2
168.05693	1.9
168.09323	3.0
169.06474	22.1
170.07257	14.0
171.04408	1.8
171.08037	14.3
171.11697	3.5
172.08838	13.7
173.09625	20.0
173.13248	93.2
174.13567	2.8
177.00722	1.9
183.08067	2.8
183.11671	5.8
185.05991	3.3
185.09659	1.7
186.06772	46.9
186.10382	42.3
187.07141	1.6
201.05386	3.6
201.09099	100.0
201.12730	61.3
201.16370	9.7
202.09412	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	199.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	16.9
55.01870	25.3
55.05510	25.1
56.05825	2.1
57.03423	6.4
57.07079	11.8
58.07401	4.2
59.04992	3.3
61.02921	2.6
65.03925	4.5
67.05501	22.3
69.03429	12.0
69.07070	20.1
70.07401	3.2
71.01354	3.9
71.02815	5.0
71.04991	18.2
72.04502	4.4
73.06538	2.5
74.09723	25.9
79.05492	47.0
81.03413	39.3
81.06584	3.1
81.07058	43.5
83.04988	14.0
83.08616	10.6
84.08112	2.0
84.08958	3.4
85.02888	3.0
85.06535	18.8
88.78892	2.1
91.05472	22.3
93.07043	33.6
94.55325	1.6
95.04985	13.1
95.08591	13.7
97.02871	3.4
97.06528	38.9
97.10128	2.1
98.06820	2.1
98.10500	2.6
98.97566	2.7
99.04444	4.4
99.08091	7.6
100.07597	9.8
101.06026	2.8
103.05486	4.6
105.07039	12.8
107.04939	7.6
107.08600	5.2
109.02867	6.1
109.06509	6.8
111.04446	16.6
111.08067	6.7
113.06006	11.0
114.79527	2.1
115.05425	4.1
116.06274	2.4
116.97266	9.9
116.98605	2.1
119.08514	2.9
121.06508	25.5
121.10159	6.9
123.08096	5.6
125.05969	8.9
127.03902	3.0
128.06207	11.3
129.06987	8.2
131.07716	1.8
131.08585	10.9
131.99515	2.7
134.99666	5.5
135.08032	3.7
137.09647	2.0
139.07523	3.3
141.06978	3.2
142.07765	7.3
143.08578	14.1
152.96924	3.8
153.00636	2.0
153.06958	1.9
153.12674	3.6
155.07054	2.5
155.08578	3.1
156.05751	5.1
156.09363	5.7
157.10114	12.5
163.11238	3.4
166.07747	3.0
168.05783	2.4
171.08064	6.1
171.11696	6.7
175.98499	4.5
181.06293	2.4
181.10123	3.6
181.12196	3.4
181.15916	2.4
182.11530	2.0
184.05214	5.7
184.12437	2.8
199.07565	17.7
199.09457	1.9
199.11151	10.8
199.13206	4.4
199.14958	14.5
199.18884	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73524	2.5
56.05037	10.8
56.96564	45.2
57.07087	2.6
65.65291	2.1
67.33261	1.9
70.23829	10.9
71.54615	2.2
71.95267	3.8
79.91203	2.0
84.95940	2.2
89.73986	2.3
98.96927	5.0
98.97584	92.2
99.97982	2.6
112.37584	2.3
115.85345	2.1
116.98627	100.0
117.98958	4.7
118.03531	4.1
118.90949	2.3
119.01904	23.5
120.02043	5.6
121.01693	3.0
130.03496	4.5
134.99661	95.2
135.03159	4.1
137.02933	15.1
137.04654	4.0
138.03203	2.3
140.00208	4.2
142.03482	3.1
150.06035	2.6
153.00706	27.4
158.01315	8.8
158.03003	5.9
160.04533	2.8
174.06113	6.6
174.97676	2.5
176.02338	6.9
176.04074	12.9
176.05722	5.0
177.00946	30.2
177.50380	2.8
182.04559	2.5
192.07181	3.2
192.98749	3.2
194.03394	3.6
196.01868	2.3
199.18788	2.8
212.92299	3.5
218.03197	3.6
219.01909	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	199.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89835	1.7
53.03941	17.1
55.01878	13.6
55.05508	31.5
57.03424	7.2
57.07082	8.3
58.07393	1.7
59.04989	5.5
59.94809	1.6
63.14660	1.6
65.03925	4.8
66.91947	1.6
67.05178	2.4
67.05503	31.1
69.03408	6.8
69.07065	20.0
70.07406	3.5
70.52026	1.6
71.01356	4.5
71.04990	32.7
71.56757	2.7
72.04507	4.7
72.08146	1.6
74.09717	19.1
79.05016	2.1
79.05488	70.1
81.03419	19.1
81.07053	100.0
82.07386	1.8
83.04972	16.0
83.08598	6.9
84.08954	2.9
85.02902	8.8
85.06541	45.4
86.06041	2.2
87.04462	3.7
89.06031	2.7
91.04972	2.7
91.05484	32.4
93.07034	43.4
94.07371	2.7
95.04955	17.0
95.08609	15.5
97.02911	2.2
97.06523	74.8
97.10133	2.7
98.10517	3.1
99.04453	4.6
99.07480	3.2
99.08086	42.3
100.07591	8.0
101.06014	7.5
103.05443	3.6
105.04524	2.7
105.07018	19.2
107.04951	10.1
107.08570	9.1
109.05804	1.9
109.06482	10.6
109.10149	4.9
111.04434	19.4
111.08074	12.9
112.05250	1.8
113.05981	14.9
113.11755	1.8
115.05395	2.8
116.06195	2.1
116.97240	4.3
116.98609	3.3
119.08587	3.0
121.06503	38.4
121.10120	18.9
123.08055	10.2
125.02330	2.7
125.05989	10.4
125.09621	3.0
126.06732	2.2
128.06232	9.2
129.06956	8.6
131.08582	16.1
134.99655	4.4
135.08055	5.6
137.09628	2.4
139.03949	2.0
139.07498	4.1
139.11180	7.1
140.04655	3.1
141.06978	4.7
142.07744	2.6
143.08578	7.7
145.06471	2.2
149.09650	4.8
153.06819	1.8
153.12729	4.3
155.08502	2.1
156.09337	6.2
157.10127	7.6
163.03903	2.0
163.11206	11.7
166.07761	2.4
169.06465	2.5
171.08090	6.2
171.11670	5.1
175.98578	2.7
181.08636	1.9
181.10037	2.5
181.12204	10.5
184.08798	2.3
199.05988	1.8
199.07570	6.4
199.11229	13.2
199.13269	17.5
199.14911	5.0
199.18877	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.6
56.05037	15.3
56.65949	1.2
56.96297	1.8
56.96566	33.5
57.03449	1.8
57.04543	3.9
57.07073	1.9
57.93541	2.4
58.06583	1.1
58.38311	1.0
58.99858	1.7
69.07053	2.5
70.07372	1.6
71.04979	3.3
71.25936	1.5
71.26252	2.3
71.95257	3.1
72.04520	2.3
73.99847	1.1
74.09731	7.1
77.00912	1.4
79.05456	1.3
80.49498	1.1
81.03407	1.8
81.07047	1.7
83.08593	4.2
84.08944	1.3
97.06536	1.0
97.99170	3.4
98.96932	2.6
98.97583	51.5
99.04475	1.8
99.05566	8.2
99.08096	2.2
100.02469	2.6
100.07603	3.5
101.00841	1.7
104.69803	1.1
107.08610	1.4
109.10133	1.4
111.04438	4.7
116.00222	5.0
116.01959	5.0
116.97337	11.0
116.98618	75.1
118.03523	27.1
119.01918	41.6
119.03679	1.6
120.02048	2.2
121.01683	12.1
121.03551	1.4
130.02600	1.1
130.03511	4.3
131.05531	2.3
131.99535	3.5
132.05078	4.3
133.03531	2.3
133.04572	2.6
134.01332	10.6
134.02985	44.9
134.04831	5.3
134.06618	1.3
134.99654	100.0
135.99971	1.8
136.04553	46.3
137.02965	27.5
137.04645	3.1
138.03105	1.5
139.02679	6.1
139.03616	1.6
141.05092	1.3
142.03497	6.7
146.02942	1.9
146.51428	1.4
148.04581	3.2
149.01266	1.4
149.03510	1.2
150.04364	1.5
150.06123	3.4
152.02322	1.8
152.02747	1.5
152.04060	17.1
152.05820	9.5
152.96953	3.5
153.00708	34.2
157.02910	4.7
157.04572	21.0
158.01276	5.7
158.02998	6.0
159.05035	1.7
159.06197	2.2
160.04568	12.2
162.04091	1.1
167.04584	1.7
170.98013	1.9
172.04582	4.6
173.07794	2.1
174.06134	2.2
174.97411	1.6
174.98627	4.5
175.03970	17.1
175.05673	35.0
175.98564	6.2
176.02376	5.0
176.04077	18.3
176.05879	20.0
177.00966	8.0
177.04182	1.9
177.06050	1.1
178.03972	1.9
178.05598	4.7
181.04665	2.3
189.06123	1.5
190.03915	1.3
190.05649	3.4
192.98756	7.9
193.04971	3.6
193.06659	17.3
194.05144	4.4
194.06970	8.0
198.07251	2.9
199.03995	5.1
199.05666	13.0
199.07513	2.7
199.18883	43.3
200.04112	3.4
201.52457	1.3
209.99796	1.2
216.98697	2.3
217.04828	8.2
217.06879	11.6
217.08954	2.1
218.05254	1.9
219.02010	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	23.5
53.70127	2.3
55.01871	12.3
55.02086	1.8
55.05510	48.7
56.96567	2.1
57.03436	9.0
57.07077	6.2
59.04996	7.8
61.02907	2.0
65.03947	5.7
67.05170	3.7
67.05502	48.2
69.03423	3.7
69.07064	15.4
69.58616	17.7
71.01349	10.1
71.04993	41.1
71.08615	2.7
72.04520	3.0
73.06574	2.5
74.09728	13.7
79.05492	100.0
81.03418	40.3
81.07053	82.2
82.04153	2.2
83.04977	24.8
83.08626	5.8
84.08935	2.1
84.64637	2.4
85.02912	5.9
85.06546	41.3
85.07028	1.7
87.04479	4.3
88.95822	2.4
91.05474	43.9
93.03420	3.2
93.07042	62.4
95.04970	32.8
95.08607	23.0
97.02876	3.4
97.06531	69.1
98.97564	3.9
99.04453	3.0
99.07510	2.3
99.08056	11.2
100.07603	3.8
101.06011	4.4
103.05469	8.7
105.04494	3.7
105.07036	19.7
107.04936	13.9
107.08571	10.9
107.14461	2.2
109.06516	12.5
109.10189	2.1
111.04434	23.2
111.08076	14.1
113.06017	26.4
115.05476	5.7
116.06241	4.8
116.97251	4.1
116.98639	4.4
119.08575	3.4
119.94887	2.0
121.06502	60.4
121.10136	16.2
123.08062	9.6
125.06008	13.5
125.09607	3.3
128.06212	6.6
129.07008	5.7
131.08549	17.9
134.99661	3.9
135.08038	3.4
139.03912	2.7
139.07550	4.0
139.58502	2.3
143.08591	5.0
149.09639	6.0
153.12721	5.1
155.08574	3.5
156.09277	2.2
157.10060	6.1
163.11195	9.3
171.08051	2.5
175.98592	3.0
181.01250	3.7
181.12177	6.9
184.05177	5.0
199.07547	7.7
199.11366	2.2
199.13284	7.5
199.14867	5.7
199.18878	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
50.81868	0.7
51.96466	0.7
53.03960	2.5
53.94355	0.6
54.53272	0.8
55.01881	2.3
55.05513	4.0
57.03442	1.6
57.07087	2.1
59.04997	3.9
65.03945	1.8
67.05499	8.0
68.99796	0.8
69.03441	1.7
69.07076	2.0
69.73824	0.7
70.95882	1.3
71.05017	1.7
71.57722	1.3
73.02888	0.7
75.19761	0.8
75.78486	0.8
77.03954	0.8
79.05486	9.0
81.03400	0.9
81.07058	9.8
83.04995	1.0
85.06557	1.9
91.05474	25.6
93.07040	29.0
95.04958	11.7
95.05466	0.9
95.08608	5.1
97.02900	1.1
97.06536	1.6
103.05506	0.9
105.03409	1.5
105.07026	39.1
106.07404	0.8
107.04967	1.7
107.08590	75.4
109.06516	10.7
109.10149	6.5
111.08135	1.2
113.06001	1.8
113.08150	0.7
115.05449	1.4
117.07043	1.1
118.07764	0.8
119.04954	3.5
119.08575	8.9
120.09406	0.9
121.06491	7.4
121.10130	2.2
123.04414	5.4
123.08049	1.6
123.11687	4.0
125.05939	1.0
128.06161	0.8
129.99515	1.0
131.08542	4.2
132.95853	1.1
133.02858	2.8
133.10126	75.8
134.10478	1.0
134.46385	0.7
135.04413	0.7
135.08087	2.4
135.11688	59.5
136.11986	1.3
137.05959	6.3
137.09599	5.9
141.07010	1.5
142.92984	0.8
143.08531	1.2
146.07272	2.5
150.96869	3.1
151.00217	0.7
151.03915	2.9
151.07559	1.2
151.11172	6.0
155.08534	1.1
155.97380	1.4
161.09610	38.1
162.09972	0.7
165.05481	1.8
167.08653	0.8
169.10155	1.0
173.98457	1.6
179.03502	4.9
179.10663	100.0
180.10953	1.9
197.00842	3.5
197.04413	1.5
197.05931	2.4
197.09940	1.8
197.11714	48.0
197.13153	1.7
198.18562	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.9853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
55.05493	1.1
56.05025	0.7
56.96564	13.3
57.03436	2.0
57.07061	0.7
60.95857	0.4
67.05486	1.1
69.03417	1.4
69.07037	0.7
70.19078	1.4
70.19457	0.7
71.04977	0.7
71.95271	0.7
72.04467	0.4
73.02897	0.6
74.06063	0.3
74.09701	0.9
74.97599	0.4
77.00867	0.6
79.36732	0.3
81.03426	1.7
83.04975	0.7
83.08626	0.9
84.96017	0.7
85.02882	1.0
86.03672	1.3
90.01565	0.4
90.39751	0.4
92.01204	0.3
95.01948	0.5
95.04952	0.4
97.02867	0.5
98.21458	0.4
98.97578	9.0
99.04444	0.9
99.05583	0.5
100.07603	0.5
101.00835	0.9
101.02546	0.9
103.02391	0.7
109.02913	0.5
110.01304	0.3
111.04465	0.7
113.81526	0.3
116.98617	12.1
118.03494	1.5
119.01907	10.5
119.03593	0.6
120.02001	1.0
120.95374	0.4
121.01656	2.8
121.02412	0.4
122.03601	0.3
123.02131	0.3
127.00748	0.4
128.02316	0.5
128.98596	1.1
131.01062	0.5
131.01894	2.7
131.05597	0.4
132.96593	0.4
133.03471	0.5
134.03003	1.5
134.04845	1.0
134.99664	13.7
135.99713	0.5
136.04572	2.1
137.02922	6.6
138.03041	0.5
138.96355	1.9
139.02661	2.2
140.00113	0.4
140.01578	0.5
142.03453	0.9
143.00201	1.4
145.03445	1.4
146.99612	1.2
147.01402	0.9
147.03146	1.0
148.01477	0.8
148.99597	0.5
149.01193	0.5
149.02892	2.7
150.97604	0.6
151.02667	0.5
152.05875	1.3
152.51566	0.7
153.00697	4.3
153.97548	0.5
156.97470	39.7
157.03448	0.7
157.04572	0.8
157.97557	1.3
158.01276	0.7
158.28732	0.4
158.99532	0.5
159.05037	0.7
160.04585	0.7
161.01230	2.2
161.03001	0.8
162.99295	1.3
164.04533	0.4
165.00633	0.5
167.00304	0.5
171.03165	1.2
171.05052	0.7
173.02945	0.7
174.98534	100.0
175.05676	1.1
175.51817	0.6
175.98680	3.2
176.02216	0.8
176.04207	0.7
176.05809	2.6
176.98943	0.5
177.00928	3.6
178.01102	0.6
179.97606	0.5
179.98984	2.2
180.97372	0.5
182.00697	1.1
183.99763	1.9
184.99706	0.4
185.02565	0.5
187.04526	0.5
189.02478	0.5
189.04135	0.7
191.03917	0.6
192.98705	2.4
193.00269	1.6
193.03703	0.5
193.06750	0.7
194.06906	1.3
194.98489	0.4
196.01169	0.4
198.00124	3.5
198.18527	6.8
198.98517	7.0
199.00208	0.4
199.18892	3.9
200.04291	1.0
205.00327	1.2
209.04842	0.5
216.96133	0.7
216.99658	26.0
217.05513	1.3
217.09193	0.7
217.99690	1.4
219.02016	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
51.33208	2.1
53.03917	2.1
55.01865	5.8
55.05510	21.1
55.35165	2.3
57.97124	2.2
59.05011	2.7
67.05503	5.8
69.03426	5.7
70.95855	4.2
72.93807	2.3
75.40862	2.5
79.05483	12.7
81.07050	23.7
83.04967	3.5
91.05476	24.1
92.69512	2.5
93.07036	28.9
95.04936	10.9
95.08612	4.4
97.06526	7.5
98.21638	5.3
98.40675	2.1
99.04445	10.4
105.07024	36.6
107.08587	71.4
109.06501	20.7
109.10165	7.7
113.08282	3.0
119.05022	2.7
119.08534	12.0
121.06521	5.3
123.04385	4.5
123.11723	5.0
125.05988	80.4
127.03917	25.9
129.99474	2.6
132.95787	3.9
133.10124	75.8
135.11679	47.4
136.33151	2.1
137.05974	69.3
137.09618	6.5
143.08559	5.7
150.96889	10.4
151.03896	3.7
151.11177	8.6
155.97501	4.2
161.09602	35.9
173.98471	4.6
179.10664	100.0
197.11716	47.4
197.13438	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	197.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.4
55.01863	1.3
55.05496	4.0
56.96563	6.1
57.03396	1.2
57.07065	2.5
59.04989	3.6
63.45125	1.0
65.03931	2.4
67.05485	8.1
69.03415	3.1
69.07063	2.7
69.88303	1.8
69.88718	4.6
70.95861	3.7
71.04989	1.4
71.39969	1.0
72.93755	1.5
73.02910	1.4
77.03923	1.1
79.05482	10.2
81.03411	1.2
81.07043	11.6
83.04978	1.1
83.51098	1.0
84.96024	1.2
85.02905	1.1
87.04456	1.1
91.04902	1.3
91.05475	26.2
93.07035	27.6
95.04958	12.9
95.08603	5.8
97.06517	1.8
98.97556	3.2
105.03381	1.3
105.07018	39.5
107.04940	1.1
107.08585	83.3
109.06506	9.4
109.10143	8.2
111.04383	1.5
111.08041	1.7
111.98450	1.6
113.08232	4.6
113.95586	0.9
115.05409	1.5
116.98620	2.8
119.01830	1.8
119.04919	2.5
119.08568	12.2
120.09362	1.0
121.06487	7.7
121.10102	1.9
123.04427	4.9
123.08047	2.7
123.11691	3.3
125.05968	1.3
125.09560	1.2
129.99501	1.1
131.08521	3.5
132.95796	2.2
133.06494	1.9
133.10121	81.5
134.99654	1.5
135.08066	1.4
135.11684	63.1
137.05951	6.3
137.08226	1.2
137.09590	6.4
141.05449	1.0
143.00162	1.4
143.08534	1.2
146.07248	2.3
149.12981	1.2
149.42245	0.9
150.96898	8.5
151.03900	2.1
151.07515	3.8
151.11150	7.4
155.07047	1.0
155.97426	2.8
159.66998	1.2
161.01094	1.6
161.03003	1.2
161.09596	39.4
165.05403	1.5
173.98524	4.8
179.07086	3.5
179.10655	100.0
196.91431	0.9
197.08075	3.3
197.11722	49.3
198.18526	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.50555	0.6
55.01862	1.5
55.05506	1.5
57.03421	0.6
57.07074	0.9
59.04998	1.5
59.57662	0.6
65.03940	1.9
67.05498	3.9
69.03432	1.7
69.07085	1.2
70.95871	2.8
71.04995	0.9
71.06103	0.8
72.93781	2.6
73.02919	3.1
79.05502	5.4
81.03420	0.8
81.07050	4.8
83.04990	0.9
88.96890	0.6
90.94811	0.7
91.05476	16.8
93.07038	8.6
94.04163	0.6
95.04955	4.0
95.08590	1.9
97.02917	0.7
98.20930	2.8
105.03403	0.8
105.07029	20.9
107.04952	1.1
107.08591	100.0
108.08967	0.7
109.06514	9.4
109.10146	6.3
111.04461	1.3
111.63043	0.5
111.71373	0.5
111.98460	2.3
113.08298	2.8
117.07003	1.0
118.07834	0.7
118.79102	0.5
119.04938	1.7
119.06090	0.6
119.08573	5.5
121.06496	4.0
121.10118	1.1
123.04414	1.0
123.08033	1.4
123.11684	1.4
125.06003	1.5
128.06177	0.6
129.99503	1.8
131.08560	2.0
131.54529	0.5
132.95834	2.6
133.02840	1.3
133.06485	1.2
133.10130	60.4
134.10513	0.6
135.08054	0.7
135.11696	12.2
137.05969	4.3
137.08199	0.8
137.09607	5.3
139.07547	0.7
141.05405	1.5
143.08470	0.8
146.07242	1.8
150.96887	10.4
151.03909	13.0
151.05011	0.6
151.07556	1.6
151.11192	4.0
155.09300	1.1
155.97453	2.1
158.26613	0.5
161.09619	15.3
165.05482	1.1
168.97902	0.8
173.98482	5.5
179.07083	1.6
179.10663	19.8
197.00662	0.7
197.06108	0.5
197.08086	1.2
197.11726	25.2
198.18614	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64436	0.4
55.01886	0.5
55.05488	0.7
56.05038	2.4
56.56783	0.4
56.96340	0.5
56.96568	7.2
57.07059	1.0
57.22227	0.5
58.60884	0.5
58.99860	0.9
59.13187	0.4
65.03928	0.6
67.05507	0.9
68.05010	1.1
69.03407	1.8
69.07066	1.2
69.65865	1.8
69.66293	2.0
70.06571	1.1
70.95866	1.8
71.06104	0.8
71.95246	0.8
72.93769	1.3
77.00900	1.5
79.05497	0.6
80.85020	0.4
81.04528	0.6
81.07029	0.7
82.99879	0.7
83.06104	0.8
88.96869	0.8
91.05508	0.8
93.07020	1.3
95.04953	1.0
95.06081	1.9
95.08593	0.7
96.05615	0.9
96.08114	0.8
97.02892	1.3
97.06505	1.5
97.07704	0.4
98.97028	0.5
98.97601	3.0
99.05573	0.6
100.02477	1.2
101.00861	3.9
105.07023	1.7
106.03461	0.6
107.08595	2.6
107.54770	0.5
111.98456	1.2
113.08244	9.1
114.04021	1.6
116.98611	6.8
117.98885	0.5
118.03526	2.5
119.01924	41.8
119.08609	0.7
120.02003	1.8
120.03250	0.6
121.01659	1.6
121.03424	0.7
121.06372	0.5
122.07118	0.6
129.99496	1.4
130.03479	3.4
131.01892	1.4
132.05067	34.8
132.95773	1.3
133.03494	0.7
133.05084	0.6
133.10127	2.1
134.02998	1.9
134.99664	12.3
135.11711	1.0
136.04547	1.4
137.02962	32.8
137.08223	2.8
138.03091	1.6
138.06674	1.1
142.03494	3.2
143.03008	0.9
145.03470	3.6
146.03026	0.7
147.02689	1.0
147.03784	10.1
147.04941	0.5
148.02795	1.4
148.04529	2.6
149.97118	1.3
150.06117	41.9
150.96820	5.3
151.04518	0.9
151.06250	1.1
151.11217	0.8
152.04030	1.3
153.00655	3.4
154.90703	0.6
155.03012	0.9
155.06673	1.5
155.09293	4.6
155.97435	0.9
156.00330	0.9
156.05019	5.6
156.97505	0.8
157.04582	0.6
158.01213	0.8
158.02982	1.7
159.06143	0.8
160.02505	0.7
160.04555	2.2
163.04520	1.9
165.04861	7.4
169.08652	0.6
170.03006	0.8
172.04543	0.7
173.01149	1.2
173.02844	3.7
173.04111	8.7
173.07762	2.2
173.98515	3.0
174.00748	1.4
174.06122	100.0
174.98552	1.5
175.06436	2.7
176.04079	4.3
177.00891	2.9
179.09264	1.6
179.10699	2.5
187.04443	1.6
188.04015	1.9
191.02260	0.8
191.03902	1.8
191.05362	4.0
192.01791	1.3
192.07164	40.6
192.98703	0.8
193.00343	0.9
193.07317	0.9
194.98431	0.7
196.91785	0.8
197.00644	2.3
197.02435	0.7
197.04337	2.9
197.06018	0.8
197.07817	6.8
197.10231	0.8
197.11786	1.1
198.07947	0.5
198.18501	2.8
215.01712	2.5
215.05312	3.5
215.07162	0.9
215.09042	0.8
219.02077	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0605
Annotation	Dopaquinone
Peak:m/z	Relative Intensity
53.00298	1.3
53.03928	3.1
54.93821	1.6
55.01861	3.1
55.05500	1.2
56.05033	1.3
56.96546	1.3
65.03914	3.0
67.01864	1.2
67.05511	5.2
68.01389	1.2
68.05016	1.1
68.05728	0.7
69.03418	1.8
69.95821	0.9
69.96177	13.5
70.95870	4.9
71.04955	0.9
71.13764	2.5
71.94095	4.0
72.93789	5.9
73.02877	1.0
77.03947	1.8
79.01848	3.5
79.05470	3.8
79.73617	0.8
80.04994	3.6
80.05785	0.8
81.03409	8.1
81.04565	0.9
81.07032	1.7
82.06567	1.6
83.04958	1.1
84.04507	1.0
85.02884	2.0
86.24299	0.8
87.97216	0.9
88.96906	1.8
89.03897	1.5
90.04237	2.1
90.94792	1.1
91.05466	3.1
92.04951	1.4
92.05828	1.2
92.90042	0.8
93.03370	1.2
93.07005	1.6
94.06528	3.1
95.01303	2.6
95.04958	6.6
95.08576	1.1
96.08120	1.4
97.02874	1.5
98.06054	0.9
104.04986	2.0
105.03412	6.3
105.07018	2.1
106.07320	1.9
107.01273	2.6
107.04939	2.3
107.08550	1.0
108.04448	7.0
108.05197	1.8
108.08135	0.8
108.95804	1.2
109.02880	8.4
109.06477	2.0
110.06040	1.6
110.98744	1.5
111.98469	4.5
112.07527	1.6
113.08225	1.2
118.03696	3.6
120.04455	1.1
121.02840	1.4
122.06036	14.1
123.00757	1.3
123.04433	12.5
125.02299	2.7
125.05975	2.2
126.05464	3.4
127.03905	8.4
129.99452	3.8
131.96146	23.1
131.97141	0.9
132.04427	3.0
132.95830	4.2
133.02847	28.5
133.09996	1.3
135.00729	1.9
135.04391	1.5
136.03877	5.0
136.04712	1.7
136.07520	3.1
137.02321	2.3
137.05948	2.3
137.08182	1.3
138.05382	0.9
140.07031	1.9
143.03365	2.7
145.02913	1.0
146.03169	8.4
149.04692	1.2
149.97202	83.3
150.05490	88.7
150.96860	17.9
151.02768	1.3
151.03903	16.0
151.05794	1.6
151.07524	1.0
153.01842	22.0
153.05400	3.4
154.04944	9.9
154.97743	7.9
155.97379	4.4
160.03885	1.6
161.02304	3.2
163.03905	1.2
164.03316	3.4
164.04314	2.8
164.06940	1.2
165.01852	6.5
167.03358	3.6
167.06969	3.1
167.98271	13.0
168.06549	9.6
168.10194	1.4
168.97890	1.0
170.04395	1.5
172.98808	28.1
173.98460	10.2
178.01317	3.4
178.04887	49.6
179.03397	100.0
180.03708	3.3
181.03638	3.1
181.05031	1.8
182.04410	1.7
183.02878	1.8
190.99855	1.4
196.00333	2.5
196.02417	3.5
196.06003	37.5
196.09644	2.9
196.13467	0.9
196.16992	4.9
197.00781	4.3
197.04506	7.3
197.06174	1.9
197.08051	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
55.01870	1.6
55.05500	4.1
56.62525	0.9
57.03410	1.1
59.05000	4.9
61.98685	1.0
65.03932	0.9
66.57045	0.8
67.05508	13.2
69.03423	7.4
69.07070	6.1
71.04979	3.8
79.05473	3.5
81.07045	10.2
83.04982	10.0
85.06545	1.1
89.03866	1.0
91.05472	8.3
93.06476	1.4
93.07037	20.6
93.11623	0.9
95.04959	5.8
95.08601	35.2
97.06517	3.9
98.20692	1.8
99.08092	1.0
105.07021	4.1
107.04934	2.6
107.08586	30.7
109.06512	4.0
109.10155	16.9
111.08057	3.3
117.07037	2.5
119.08578	15.3
121.06524	5.3
121.10138	16.1
123.08034	1.3
125.09579	1.2
129.06963	1.4
131.08516	2.5
133.10115	8.0
135.07103	1.8
135.08052	17.5
135.11684	40.4
136.12001	1.1
137.09608	100.0
138.09937	1.9
139.07503	1.8
144.09326	3.8
145.02841	1.0
149.13271	8.1
151.07587	2.5
153.09129	1.4
153.12715	3.4
159.11679	15.5
162.10454	1.3
164.92305	1.0
168.99469	1.0
174.04073	0.9
177.05515	1.4
177.12740	27.6
178.13026	1.2
195.02832	1.2
195.06465	1.0
195.13794	11.2
202.25963	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1743
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03930	2.2
55.01858	2.1
55.05507	25.4
56.96533	0.8
57.03435	5.6
57.07068	5.3
65.03918	1.6
67.05503	13.7
69.03410	2.0
69.07065	86.3
69.33028	4.5
69.33451	3.9
71.04993	14.0
71.08598	2.0
77.03912	1.8
79.05487	14.2
81.06586	1.6
81.07056	28.5
83.04958	2.8
83.08615	10.2
84.72157	0.8
85.06531	3.4
89.03900	3.0
91.05477	6.6
93.07035	18.3
95.04942	4.9
95.08602	81.5
97.06532	2.9
97.10157	8.7
99.08083	23.8
103.05442	1.5
105.07053	5.1
107.04951	21.1
107.08591	22.4
109.06502	2.1
109.10149	13.8
111.04469	1.4
111.08077	5.8
111.11713	80.4
112.12025	1.0
113.09638	11.0
114.89444	0.9
115.05446	1.6
117.03368	5.7
117.06978	1.9
119.08551	2.0
121.06504	2.6
121.10138	34.7
123.08070	2.0
123.11699	15.3
125.05985	1.5
125.09647	2.6
125.13294	1.6
131.08589	1.0
133.02815	1.7
133.06560	1.0
133.10127	2.3
134.03641	1.5
135.04417	6.4
135.08035	3.8
135.11670	12.9
137.05940	1.0
137.09575	1.3
137.13278	4.7
139.03908	1.0
139.07573	0.9
139.11163	3.6
145.02850	12.4
145.03944	0.8
149.05971	4.3
149.13274	5.6
151.07544	2.1
151.14821	7.0
152.06207	2.5
153.05486	2.0
153.06804	1.0
153.09012	0.9
159.11583	0.9
163.03920	6.2
163.07584	2.1
165.05658	1.6
165.06952	7.5
166.07726	1.4
167.07039	3.6
167.08528	3.3
175.64589	1.0
177.05484	13.7
177.08998	1.2
177.12704	2.0
177.14821	1.3
177.16370	24.0
180.07838	0.9
180.09305	4.4
183.50703	0.8
186.12015	0.8
195.02863	3.9
195.06450	2.0
195.08066	8.3
195.10075	1.8
195.11699	6.6
195.13684	2.6
195.17436	100.0
196.17737	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	195.1016
Annotation	ethyl 2-hydroxy-3-phenylpropanoate
Peak:m/z	Relative Intensity
51.02370	2.4
53.03945	20.6
55.01868	24.4
55.05518	7.8
56.96566	9.3
57.03439	30.7
57.07077	2.6
64.54869	1.7
65.03912	3.5
67.05512	14.2
69.00565	1.4
69.07075	3.9
71.58705	2.9
77.03923	2.0
79.05492	97.1
81.03406	3.6
81.07051	10.0
83.04974	6.8
83.08620	2.2
89.06026	2.6
91.05480	83.0
93.07045	100.0
95.04965	44.8
95.08602	22.4
97.06520	8.3
101.02374	2.6
103.03993	2.2
103.05446	3.5
105.04518	9.4
105.07023	5.0
107.04967	4.8
107.08588	6.5
111.04423	1.9
111.08101	8.0
113.06013	1.4
119.08565	2.5
121.06503	23.3
121.10130	6.4
123.08044	12.9
125.09618	2.2
131.08574	4.3
133.10136	2.3
135.04402	1.6
135.08058	6.0
135.11708	8.0
137.05968	1.9
137.09605	2.1
139.03894	3.1
139.07562	9.1
139.11160	1.9
145.02872	2.0
149.02341	2.2
149.06023	2.3
149.09650	4.1
149.13271	2.0
149.97278	3.3
157.01736	2.2
163.03911	1.9
165.07054	3.6
167.03381	2.2
167.08592	2.4
177.05522	4.5
177.09100	5.6
177.16444	2.6
195.02963	8.3
195.06505	3.8
195.08315	3.4
195.10173	26.3
195.11870	3.3
195.13843	4.0
195.15843	2.2
195.17343	8.6
213.04367	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	195.1379
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03942	1.3
55.01861	1.4
55.05512	3.7
57.07047	1.5
59.05001	4.9
61.80090	0.5
64.30797	0.5
65.03922	1.1
67.05498	11.1
69.03434	8.6
69.07066	5.9
71.05003	3.3
79.05487	4.9
80.17076	0.5
81.07050	11.2
83.04977	9.7
83.08604	0.8
83.25228	0.6
85.06548	0.8
91.05480	8.8
93.07034	21.5
95.04973	4.2
95.08604	32.4
97.06499	3.9
98.20761	1.9
99.08076	1.1
103.05443	0.8
105.07018	5.1
107.04942	1.1
107.08585	30.8
109.06510	5.1
109.10151	16.9
109.10915	0.6
110.10432	0.6
111.04459	0.6
111.08089	2.8
113.09624	1.4
115.05422	0.7
117.07003	1.8
119.08572	15.1
121.06499	4.9
121.10143	10.7
123.08054	1.2
125.09625	1.3
129.07037	1.2
131.08575	2.9
133.10123	7.9
135.08058	17.1
135.11684	35.7
136.08345	0.7
136.12038	1.2
137.09608	100.0
138.09938	2.3
139.07558	2.2
144.09315	3.2
145.02834	0.7
149.13255	10.5
151.07524	2.0
151.11203	0.9
153.09131	0.6
153.12752	2.5
159.11674	14.6
162.10326	0.8
177.12738	22.8
178.12981	0.9
195.02885	1.0
195.13783	11.2
196.14066	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	ethyl 2-hydroxy-3-phenylpropanoate
Peak:m/z	Relative Intensity
50.01600	0.7
51.02367	1.6
53.03706	1.1
53.03945	12.7
53.58360	0.5
55.01871	8.2
55.05515	2.9
56.96558	1.7
57.03438	28.9
57.07071	0.6
65.03932	2.4
67.05498	6.4
69.03419	1.3
69.07049	1.9
69.53239	1.6
69.53663	3.1
71.04967	0.5
77.03925	2.8
78.04681	0.8
79.05494	69.0
81.03411	2.8
81.07060	4.3
83.04982	1.7
83.08625	1.2
89.06049	0.6
91.05482	72.8
92.05827	0.7
93.07043	100.0
94.07360	1.3
95.04969	37.2
95.08604	6.8
96.05291	0.6
97.06536	3.7
101.02389	2.7
103.03952	2.8
103.05460	1.7
105.04523	5.9
105.07019	2.3
107.05000	3.2
107.08613	4.1
109.06504	0.7
111.04458	0.9
111.08086	4.1
113.81863	0.5
117.03372	1.2
117.07015	1.1
117.84531	0.5
119.08573	0.7
121.02871	0.9
121.06509	20.8
121.07381	1.2
121.10151	2.7
123.08069	6.1
131.08597	3.1
135.04384	1.3
135.08095	2.8
135.11703	1.8
137.09647	0.7
139.03897	0.7
139.07550	6.7
145.02786	0.8
149.06050	0.8
149.09663	1.8
149.97264	0.9
153.05492	1.0
163.03912	0.7
165.07053	1.7
167.10699	0.7
177.05492	1.5
177.09109	3.9
177.16328	0.6
180.09460	0.6
195.02950	2.3
195.08199	2.4
195.10158	18.0
195.11606	1.0
195.13817	0.8
195.15691	0.9
195.17448	0.7
213.04387	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1015
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.03939	1.2
55.01864	1.8
55.05522	0.9
57.03433	0.5
65.03948	0.9
67.05511	1.7
69.03419	0.9
69.07054	0.8
69.27633	4.2
71.05002	0.7
78.04684	0.4
79.05490	13.8
80.05847	0.4
81.03396	0.5
81.07034	2.4
82.04134	0.4
82.07384	0.4
83.04964	0.9
89.03918	1.7
91.05476	9.2
91.57586	0.4
92.06277	0.6
93.03430	0.6
93.07034	3.5
94.06568	0.7
95.04975	5.3
95.08603	1.3
97.06547	0.6
103.05466	15.4
105.03408	0.7
105.04507	0.6
105.07029	11.2
105.32751	0.4
106.07364	0.4
107.04950	100.0
107.08598	2.8
108.05316	0.8
109.06512	1.5
109.08474	0.4
109.10168	0.6
110.03684	0.4
111.04427	0.8
111.08088	0.7
115.05460	7.0
116.06289	0.7
117.03377	2.7
117.07023	2.6
119.04949	1.2
119.08575	0.5
120.05730	5.3
121.02880	0.7
121.06532	2.4
121.08417	0.4
121.10135	0.9
122.03608	0.5
123.04416	1.5
123.08063	0.4
123.10024	0.4
124.05217	1.3
125.06029	1.9
129.15553	0.4
131.04926	4.4
131.08516	0.6
133.02858	1.5
133.06516	1.9
133.10139	0.9
134.03622	0.4
135.04419	1.2
135.08049	27.8
135.11673	1.9
136.08406	0.5
137.05945	2.0
139.03906	1.6
145.02850	5.4
145.06575	0.6
145.07596	2.5
147.04369	1.9
148.05185	0.4
149.05952	1.9
149.09631	1.2
149.13387	0.4
151.03897	0.4
151.07532	0.5
152.04672	0.7
152.06161	0.7
153.05367	0.5
154.06235	4.3
163.03868	1.4
163.07536	43.1
164.08012	0.6
165.05452	1.4
165.07001	2.1
166.07741	0.4
167.03447	0.4
167.07042	18.5
167.08478	1.1
168.07385	0.8
176.32964	0.4
177.05443	5.5
177.09105	1.3
177.12628	0.6
180.07799	4.7
180.09337	1.5
190.77045	0.5
195.02866	2.2
195.06519	0.9
195.08157	1.1
195.10152	14.1
195.11726	2.1
195.15733	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00295	1.1
53.03932	1.9
53.42508	0.4
54.67267	0.4
55.01867	2.4
55.05498	2.4
57.03425	1.0
57.07053	0.7
65.03935	1.1
67.05492	2.0
68.99744	0.5
69.03410	1.4
69.07072	3.1
69.87460	2.1
69.87865	1.0
71.04997	0.9
78.04697	0.5
79.05487	12.9
81.07043	2.9
81.07894	0.5
83.04973	0.8
83.08605	0.8
85.06550	0.7
89.03918	1.8
91.05476	8.8
93.03385	0.5
93.07043	3.6
95.04971	6.0
95.08595	3.2
97.06532	1.5
99.08125	0.8
103.05458	9.9
105.03399	0.5
105.04462	1.0
105.07027	12.6
107.04948	100.0
107.08588	5.5
108.05296	1.3
109.06498	1.3
109.10117	0.8
111.04415	1.3
111.08085	0.8
115.04670	0.9
115.05450	9.0
116.06290	0.7
117.03382	3.6
117.07026	2.5
119.04980	1.2
120.05747	2.5
121.06466	1.2
121.10127	2.5
123.04438	0.6
123.08079	0.6
124.05197	1.0
125.06017	0.9
125.09650	1.6
126.03471	0.5
126.92365	0.4
131.04973	0.8
131.08533	0.5
133.02872	1.0
133.06468	0.7
134.03644	0.7
135.04387	2.8
135.08046	21.1
135.11665	2.7
137.05994	1.1
137.09610	0.7
137.13275	0.6
139.03874	1.0
145.02850	5.7
145.06584	0.6
145.07625	1.5
147.04411	1.2
148.05142	0.4
149.05995	2.3
149.09547	0.6
149.13199	0.9
151.07524	0.7
151.11028	0.6
152.06213	0.5
152.95345	0.5
153.05415	0.6
154.06223	2.6
158.77565	0.4
163.03929	3.2
163.07535	30.2
164.07991	0.5
165.05595	0.9
165.07001	1.4
167.07051	6.0
167.08546	1.1
177.05472	6.1
177.12723	1.0
177.16354	0.6
178.13264	0.5
180.07811	1.4
180.09262	0.7
194.07275	0.8
195.02826	2.4
195.06502	0.8
195.08102	3.5
195.10165	5.9
195.11665	0.8
195.13908	0.6
195.17432	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1176
Annotation	Winterstein's acid
Peak:m/z	Relative Intensity
56.05016	0.2
58.06600	1.9
60.04531	0.3
71.04041	0.7
79.05495	4.7
91.05480	1.1
93.07034	0.5
94.06564	0.3
97.02877	0.3
102.05540	5.2
103.05466	11.2
105.07039	4.6
106.07379	0.4
107.04954	8.0
115.05476	0.2
117.07073	0.3
126.32237	0.2
127.46869	0.3
131.04927	5.5
132.08104	1.0
132.81348	0.3
133.08870	11.8
143.19678	0.2
145.02788	0.3
148.11206	100.0
149.06001	1.3
149.11571	1.7
162.06242	0.3
177.05464	0.3
194.11769	15.9
194.15417	0.8
195.02939	0.4
195.12111	0.4
196.75993	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51486	2.5
53.03931	5.6
55.01859	7.7
55.05518	14.4
56.05030	4.5
56.96562	5.9
57.03414	3.0
57.07060	2.6
65.03928	11.4
67.05508	30.2
68.05030	3.6
69.03417	12.6
69.07062	9.4
70.06578	5.3
70.86792	5.6
71.04987	7.6
76.90572	3.1
79.05489	35.9
80.05012	6.2
80.05833	5.5
81.03407	4.3
81.07051	26.3
82.06593	13.5
82.07378	3.8
83.04963	7.3
83.08633	3.6
84.08131	5.0
85.06564	5.6
89.03903	4.9
91.04977	3.6
91.05481	39.5
92.05810	5.8
93.03419	3.1
93.05766	4.6
93.07046	26.8
94.06570	32.7
95.04936	14.9
95.07350	2.8
95.08594	10.0
96.08116	9.6
103.05481	10.4
105.03419	4.4
105.07037	41.6
106.06557	24.6
106.07355	16.2
107.04948	38.9
107.05614	3.3
107.07345	27.5
107.08575	10.5
108.07417	5.3
108.08115	50.1
109.06502	7.3
109.10133	6.0
110.06057	6.5
110.06856	6.1
110.09672	8.0
111.04473	5.3
111.08066	4.1
112.07600	6.1
115.05458	5.3
117.03383	8.3
117.07018	9.9
119.07346	3.6
119.08535	6.5
120.08103	28.3
120.08901	4.0
121.02842	5.3
121.06512	5.7
121.08859	7.3
121.10133	5.9
122.09648	18.3
123.08019	4.3
124.07597	6.2
125.06008	4.0
129.07076	2.9
131.08571	10.1
132.08051	6.3
133.02855	21.4
133.06477	4.3
133.10118	7.1
134.03162	46.9
134.06845	10.3
134.09648	9.9
134.10507	3.5
135.04425	5.7
135.08035	15.7
135.11655	6.1
136.07574	3.3
136.46182	2.8
137.05954	4.7
138.06310	11.0
138.09106	3.6
139.03970	6.0
145.02827	14.5
146.09576	4.1
148.03822	3.3
148.07530	3.8
148.11198	7.4
149.02371	4.2
149.05991	10.5
149.09641	3.8
150.02719	3.4
150.06453	4.6
151.07544	3.5
159.11723	3.7
162.06364	9.6
163.03943	8.2
163.07558	13.6
166.12292	3.4
167.03387	6.6
167.07043	8.4
167.08414	2.7
176.14355	8.5
177.01869	4.7
177.05435	16.3
177.12778	5.8
178.02560	3.3
179.02946	30.3
194.05319	100.0
194.08136	6.8
194.11732	8.5
194.15388	88.9
195.02901	30.7
195.05582	3.3
195.10187	9.9
195.15730	4.8
195.17557	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	194.0812
Annotation	2-(2-Hydroxyethyl)-4-hydroxyisoindolin-1-one
Peak:m/z	Relative Intensity
53.03954	0.7
53.10051	0.5
56.96560	3.5
67.05486	1.3
68.05001	0.5
69.03399	1.1
70.06599	0.7
71.20189	0.8
71.95210	0.5
73.02914	0.5
74.90119	0.4
79.05473	2.1
80.05022	0.8
81.03416	0.6
81.07027	0.7
82.06544	0.5
84.04487	0.8
91.05478	1.4
93.03439	0.6
93.07040	1.2
94.06567	3.6
95.04935	1.2
95.07349	1.0
95.08579	0.5
96.04496	0.5
96.08121	0.6
97.02876	0.6
98.97597	0.6
103.05466	1.1
103.35196	0.5
105.07018	0.6
106.06564	0.7
106.07315	0.9
107.04916	1.9
108.08096	1.5
109.02865	0.5
109.08881	0.9
110.06040	0.7
110.09654	1.3
117.03340	0.5
118.06501	0.5
120.08099	3.2
122.05257	0.6
122.06026	4.9
123.06802	4.8
125.07081	1.3
130.06471	0.7
131.04903	2.1
133.05226	5.5
134.05991	1.8
135.03014	0.5
136.07550	2.2
137.08351	12.3
138.05501	8.2
138.09126	2.3
145.02795	0.7
147.06773	2.6
148.07562	30.9
150.05489	21.3
151.06030	0.6
152.07034	1.1
163.06261	1.5
164.07082	2.5
165.07813	0.5
166.04935	1.2
166.08632	32.9
167.09087	0.5
170.01736	0.6
175.06247	0.5
176.07060	30.4
177.05449	0.6
177.07451	1.2
188.11833	0.5
194.08112	100.0
194.15297	2.7
195.02866	1.4
195.06729	0.5
195.08469	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03938	3.1
55.01868	5.9
55.05514	11.6
56.96559	1.3
57.07057	4.7
59.04991	2.4
65.03927	4.1
67.05499	16.4
69.03429	5.2
69.07061	16.0
69.20235	1.0
71.04987	6.3
71.56869	1.1
71.57278	1.5
79.05492	22.8
79.73872	1.1
80.04991	1.3
81.03413	3.4
81.07052	25.8
82.23901	1.1
82.86343	1.0
83.04996	7.5
83.08604	6.5
85.06530	3.5
90.04710	1.9
91.05479	22.7
93.07042	24.5
95.04959	11.3
95.08601	32.2
97.06515	6.9
99.08064	2.2
103.05453	16.0
104.06329	1.5
105.03421	1.4
105.07027	100.0
106.07346	2.2
107.04943	3.1
107.08591	28.4
109.06509	18.2
109.10159	20.3
111.08067	3.6
113.09650	1.1
115.05455	15.0
117.07021	3.9
118.04163	10.1
119.04917	2.6
119.08569	41.2
121.06493	2.4
121.10149	10.6
122.03632	2.7
122.07300	1.1
123.04450	1.2
123.08069	17.7
123.11700	8.1
125.09537	1.2
129.07007	1.3
131.04903	5.5
131.08568	3.8
132.05307	1.7
133.02846	8.3
133.06505	61.1
133.10121	56.5
133.10945	1.1
134.06891	3.4
134.10504	1.7
135.04436	1.5
135.08017	2.1
135.10687	2.2
135.11681	36.2
136.07385	1.2
136.12021	1.1
137.06001	6.3
137.09607	13.7
137.13174	1.4
143.06042	3.0
145.10106	2.1
147.04375	3.8
147.08037	4.2
147.11662	10.4
149.02319	9.9
149.03395	1.9
149.05975	3.6
149.09679	1.2
149.13231	3.3
150.03038	2.5
150.06715	2.9
151.03914	1.5
151.07587	1.9
151.11197	3.2
152.07031	3.1
157.10176	2.6
161.05975	53.0
162.06317	2.5
165.05492	3.6
165.09079	2.8
165.12770	1.7
166.08571	1.9
175.03937	1.8
175.07545	2.3
175.11159	3.2
175.14816	38.0
178.02612	8.2
178.06004	1.5
192.29401	1.0
193.04955	30.6
193.08594	22.1
193.10402	1.7
193.12161	8.1
193.14191	2.3
193.15877	38.2
193.17578	1.7
194.05301	1.4
194.15268	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01871	5.8
55.05507	15.2
56.96570	0.8
57.03432	1.6
57.07059	2.2
59.04992	1.0
65.03934	1.4
66.04694	0.8
67.05502	16.8
69.03428	4.6
69.07066	9.2
69.07420	1.0
71.04989	1.6
71.57954	0.9
75.06769	0.5
77.03921	0.9
79.05490	20.1
80.05842	0.5
81.03413	3.0
81.07053	20.3
81.82809	0.4
83.04980	18.8
83.08614	3.4
85.06544	1.9
87.04439	0.5
87.58372	0.5
89.03930	0.5
90.04685	1.6
91.05476	15.3
93.07043	11.2
94.04230	0.7
94.24895	0.4
95.01331	0.5
95.04372	0.6
95.04964	7.9
95.08600	15.7
97.06503	2.6
97.10165	1.0
99.08090	0.8
103.05465	14.7
104.06244	1.7
105.03390	1.3
105.07026	100.0
106.07368	3.5
107.04939	2.9
107.08589	11.2
109.02889	0.7
109.06521	7.5
109.10149	21.3
110.10480	0.9
111.08069	2.9
115.05454	18.8
117.07033	1.2
118.04162	13.1
119.04953	1.1
119.08581	19.0
121.06487	1.6
121.10137	6.0
122.03647	0.8
122.07267	0.7
122.46170	0.5
123.04437	1.8
123.08067	8.1
123.11688	3.6
125.05991	1.4
125.09617	1.4
127.74203	0.6
129.06989	2.3
131.04930	4.4
131.08549	2.2
132.05682	1.9
133.02878	4.1
133.06487	74.1
133.10123	22.7
134.06790	2.6
135.04431	0.9
135.08046	2.2
135.11694	10.7
137.05966	4.1
137.09607	14.6
143.04904	1.4
143.06033	4.3
145.10101	1.0
146.97446	0.6
147.04440	3.1
147.08051	3.1
147.11688	7.6
149.02319	1.6
149.06018	2.4
149.09647	0.8
149.13257	3.8
150.03113	1.4
150.06741	0.8
151.07552	1.4
151.11194	2.5
151.14731	0.7
157.10124	0.7
160.05220	1.5
161.05977	57.3
162.06244	2.9
165.05467	1.4
165.06888	1.0
165.09100	1.3
165.12743	0.9
175.03859	1.3
175.07559	2.7
175.11169	2.6
175.14818	14.6
178.02612	4.3
178.06197	1.3
178.07788	1.3
193.04948	13.5
193.08595	23.2
193.10057	0.8
193.12230	6.1
193.15886	15.6
193.17635	0.9
194.05315	0.8
194.15324	1.3
210.85745	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.44860	1.2
53.00298	1.1
53.03928	5.2
55.01854	4.2
55.05267	1.4
55.05508	21.2
57.03417	2.5
57.07059	5.3
59.05001	1.3
59.11684	1.1
65.03925	3.0
67.05501	30.1
69.03424	12.0
69.07071	14.7
69.41662	10.7
71.04990	3.0
77.03912	1.5
79.05492	27.9
81.03415	31.7
81.07053	34.8
82.07304	1.1
83.04979	29.2
83.08607	12.2
85.06527	3.2
91.05473	18.8
93.07040	18.0
93.57072	1.0
95.04967	18.3
95.08605	39.5
95.82384	1.2
96.08926	1.6
97.06512	3.4
97.10161	4.1
103.05463	14.7
104.06245	2.3
105.03329	1.2
105.07025	100.0
106.07344	1.5
107.04939	4.2
107.08586	30.1
109.06518	16.9
109.10150	52.1
111.08076	7.6
112.77454	1.1
115.05453	16.2
117.07001	2.3
118.04157	9.7
119.08579	37.0
121.06475	1.3
121.10129	18.6
122.03635	1.5
123.04411	4.0
123.08061	31.8
123.11707	9.1
125.09573	1.3
129.06981	4.8
131.04912	3.2
131.08572	4.6
132.05716	2.8
133.02818	4.0
133.06485	68.7
133.10117	28.9
134.06808	2.8
134.10471	2.1
135.08034	2.3
135.11682	31.3
137.05930	3.5
137.09610	20.9
138.10347	3.2
142.07799	2.0
143.06032	3.1
147.04373	1.7
147.08006	2.3
147.11656	9.5
149.02301	1.8
149.09592	3.5
149.13268	6.8
151.11177	10.6
151.14731	5.9
157.10095	2.4
160.02344	1.2
161.05974	65.0
165.05441	2.0
165.12665	2.5
165.16342	1.6
175.11157	3.1
175.14812	20.8
178.02554	4.0
193.04941	14.0
193.06650	1.3
193.06981	1.8
193.08618	18.5
193.10307	2.4
193.12239	16.5
193.15860	49.9
194.08961	1.7
194.12523	1.4
194.15909	1.5
212.26476	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
52.06733	4.2
55.01858	4.2
55.05508	40.4
57.07056	12.2
65.03903	4.0
65.81622	3.1
67.05499	47.1
67.86494	3.0
69.03403	20.1
69.07059	31.4
71.04980	6.3
79.05489	23.1
79.96324	3.8
80.30570	3.4
81.03424	5.4
81.07053	61.8
83.04979	55.9
83.08604	23.9
85.06528	8.9
91.05476	20.2
93.07046	37.3
95.04971	13.7
95.08605	84.3
97.06496	6.4
97.10161	4.1
98.20722	8.5
103.05452	11.3
105.07028	89.1
107.08599	57.7
109.06516	37.4
109.10147	100.0
111.08063	15.2
115.05425	11.7
117.06968	4.7
118.04151	4.6
119.08583	80.1
121.10143	48.5
122.07288	4.5
123.08066	66.0
123.11687	18.5
131.04942	6.6
133.06485	58.4
133.10135	50.9
135.11687	77.4
137.09621	50.0
138.10335	9.6
147.11635	5.2
149.13239	18.8
151.11186	16.7
151.14792	14.9
161.05971	45.3
165.16350	4.4
175.14819	44.2
193.04944	14.7
193.08629	16.5
193.12288	4.8
193.15892	98.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03934	3.1
55.01867	7.3
55.05513	13.7
57.03432	0.8
57.07071	2.5
59.04985	1.1
64.55132	0.6
65.03928	1.8
66.04701	1.0
67.05502	17.8
68.05774	0.7
69.03420	5.3
69.07063	13.3
70.64284	2.1
71.04982	2.5
74.82441	0.9
77.03909	1.0
79.05491	20.3
81.03423	7.4
81.07056	20.6
83.04983	15.0
83.08624	5.3
85.06540	1.7
89.03880	0.8
90.04665	1.1
91.05479	20.8
93.07042	11.6
94.04148	0.9
95.01310	1.2
95.04961	9.8
95.08604	23.7
97.06531	3.7
97.10168	1.3
99.08116	0.9
100.07606	1.2
102.04703	0.8
103.05457	14.4
104.06260	1.4
105.03438	0.9
105.07027	100.0
106.07338	3.6
107.04940	3.8
107.08588	17.4
109.02863	2.0
109.06509	10.5
109.10149	26.4
111.04434	1.2
111.08060	2.4
115.05450	17.2
117.07015	2.5
118.04171	9.4
119.04926	1.1
119.08577	25.5
120.09002	0.7
121.06503	3.9
121.10137	10.0
122.03581	0.9
122.07292	0.8
123.04441	1.3
123.08072	18.4
123.11727	5.4
125.06006	5.0
125.09631	1.2
128.06215	1.4
129.06963	3.3
130.35449	0.6
131.04922	4.1
131.08551	1.5
132.05666	2.1
133.02875	3.6
133.06490	72.3
133.10117	18.0
134.06825	2.4
135.08073	1.4
135.11691	19.4
137.06003	4.5
137.09619	11.3
137.13240	1.0
138.10431	1.3
143.04977	1.1
143.06035	4.6
145.06395	0.6
145.10185	1.0
146.97453	0.7
147.04398	2.3
147.08060	7.5
147.11674	5.0
149.02408	0.9
149.05978	3.5
149.09636	1.5
149.13315	4.2
150.03078	0.7
151.07513	2.0
151.11194	4.3
151.14804	2.0
157.10022	0.9
161.05978	52.0
161.17088	0.8
162.06323	2.0
165.05438	1.7
165.09105	2.5
165.12767	0.9
165.16391	1.7
175.03874	0.8
175.07532	4.8
175.11148	3.2
175.14827	13.9
176.15305	0.7
178.02650	3.8
178.07715	1.3
193.04947	10.9
193.08595	24.5
193.12222	6.0
193.15866	22.5
194.15421	1.0
195.80637	0.6
205.66260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.35233	1.0
51.48347	0.9
52.18732	0.9
53.03941	3.6
55.01863	6.3
55.05508	15.1
56.05873	0.9
57.03429	2.0
57.07074	2.1
57.41719	0.9
59.04990	1.7
64.21829	1.2
65.03935	2.3
66.04717	1.2
67.05499	18.2
68.13085	1.0
68.99739	1.1
69.03426	5.0
69.07067	15.7
70.74142	3.1
71.04985	4.3
73.10245	0.9
79.05488	20.4
81.03408	3.0
81.07050	26.8
83.04979	19.9
83.08621	6.1
85.06535	2.7
90.56711	1.0
90.90130	0.9
91.05479	19.3
93.07037	15.6
95.01324	1.3
95.04973	9.1
95.08598	27.7
95.09171	2.0
97.06529	3.5
97.10158	0.9
99.08117	1.2
103.05468	15.3
105.03387	1.4
105.07024	100.0
106.07365	3.2
107.04964	4.2
107.08591	24.8
109.02861	1.1
109.06520	13.0
109.10149	30.1
111.08083	3.4
115.05441	21.3
117.07033	2.3
118.04173	10.8
119.04935	2.8
119.08578	33.8
121.06524	2.1
121.10137	12.2
123.04414	1.3
123.08074	12.7
123.11668	7.6
125.05939	2.6
125.09614	1.6
129.07016	2.4
131.04922	5.2
131.08548	1.7
131.88939	1.0
132.05774	1.3
133.02885	4.8
133.06490	74.5
133.10123	27.7
134.06833	2.2
135.08057	1.9
135.11681	25.0
137.05968	2.7
137.09599	16.3
143.05035	1.6
143.06013	5.4
147.04364	1.8
147.08009	6.7
147.11687	8.8
149.02319	1.5
149.06006	2.8
149.09543	1.3
149.13268	4.1
150.03140	2.6
151.07532	2.5
151.11198	3.1
151.14874	1.2
161.02388	1.3
161.05974	54.7
162.06323	2.3
165.05479	1.8
165.09105	2.8
165.12817	1.5
165.16350	1.5
175.07538	5.1
175.11198	1.7
175.14809	30.7
178.02612	7.7
178.06061	1.1
193.04950	23.3
193.08577	22.1
193.10307	1.5
193.12282	4.3
193.15872	29.2
193.17664	1.8
194.05302	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03931	2.6
55.01856	2.2
55.05507	18.6
57.03430	2.9
57.07058	4.3
59.04974	1.4
65.03918	2.9
65.19929	1.3
65.75752	1.2
67.05505	19.8
69.03426	10.5
69.06725	1.8
69.07066	21.7
69.44776	2.8
69.45191	8.3
78.76344	1.2
79.05487	11.9
81.03416	12.3
81.07051	21.1
83.04983	17.8
83.08618	9.9
85.06522	3.3
91.05477	12.2
93.07028	9.6
94.06557	2.1
95.04953	9.2
95.08603	30.5
97.06506	3.9
97.10159	4.3
99.99087	1.3
103.05469	6.8
105.07030	39.8
105.66036	1.3
107.04950	2.6
107.08598	12.0
109.06513	45.1
109.10154	38.9
111.08055	4.8
115.05453	6.1
117.81107	1.2
118.04137	4.0
119.08571	17.8
121.06564	1.7
121.10157	9.8
123.08063	23.0
123.11694	6.1
125.09649	3.0
129.06946	2.0
131.04915	2.3
131.08546	2.9
133.02846	2.1
133.06488	20.4
133.10138	15.1
135.08064	3.4
135.11688	13.2
137.05972	1.8
137.09615	23.6
147.04437	1.3
147.08061	1.6
147.11642	3.9
149.02338	2.1
149.09717	2.9
149.13248	3.1
150.10368	2.0
151.11171	38.0
151.14816	12.5
161.05986	19.8
165.05400	1.4
175.00085	1.3
175.03836	1.6
175.07756	1.3
175.11154	2.4
175.14822	10.1
178.02686	1.3
193.04950	8.4
193.08589	8.6
193.12198	3.0
193.15869	100.0
194.15479	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03941	4.4
55.05306	2.6
55.05510	29.3
57.07063	7.5
59.04982	3.6
67.05504	30.1
69.03436	14.7
69.07067	25.1
70.89874	6.2
71.04977	4.9
72.74113	2.8
74.88780	2.4
76.20691	2.6
77.73783	2.7
79.05478	11.8
81.07050	35.8
83.04975	40.8
83.08617	15.7
85.06519	5.1
87.62015	2.5
91.05479	15.7
93.07030	25.1
95.04950	5.5
95.08602	70.6
97.06493	5.4
97.10172	3.7
103.26067	2.8
104.15989	2.8
105.07011	27.8
107.08587	53.1
109.06520	19.1
109.10154	100.0
111.08095	9.9
117.07010	2.9
119.07790	5.2
119.08572	58.7
121.10148	33.2
123.08057	59.7
123.11674	10.4
125.09686	3.7
133.06447	3.9
133.10120	47.6
135.11688	69.2
135.12704	4.3
137.09618	44.0
138.10388	5.6
147.11687	9.3
149.13240	18.9
151.11177	13.1
151.14796	11.3
155.82889	3.0
165.16428	5.1
175.14816	41.6
193.15875	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
54.46849	1.6
55.01861	6.8
55.05510	11.7
57.03421	1.8
57.07058	6.2
59.04997	1.7
65.03939	5.8
67.05503	20.6
69.03442	4.0
69.07068	22.3
69.45573	13.3
71.04981	7.9
73.06579	1.5
79.05053	3.3
79.05489	27.1
81.03392	3.4
81.07063	31.4
83.04962	5.2
83.08595	5.3
84.08133	1.8
85.06538	3.1
89.03936	1.8
90.04670	1.9
91.04977	2.0
91.05484	26.6
93.07040	30.7
93.24952	1.5
95.04974	13.1
95.08612	50.0
97.06522	6.5
97.10173	1.7
98.21487	2.0
99.08099	4.6
103.05465	18.5
103.64333	1.5
104.06305	3.6
105.03353	2.0
105.07040	100.0
106.07390	2.9
106.89179	1.6
107.04922	4.4
107.08593	37.4
109.06509	13.0
109.10153	24.0
115.05459	14.2
117.07009	2.6
118.04205	10.5
119.04965	1.6
119.08581	68.5
120.05735	1.4
121.06494	3.7
121.10156	14.7
123.08062	16.9
123.11748	9.1
125.09663	1.7
131.04910	7.5
131.08549	3.3
132.05292	13.5
133.02844	5.7
133.06541	55.1
133.10132	86.2
134.06856	2.2
134.10417	3.0
135.08081	3.7
135.11688	55.4
137.05994	7.1
137.09616	20.2
139.03813	1.8
143.06071	3.8
147.08040	3.4
147.11707	8.8
149.02332	6.0
149.06003	5.0
149.13228	2.7
150.06725	3.8
151.07565	2.6
151.11165	2.0
151.14828	2.3
152.07056	2.2
160.12320	2.0
161.05989	41.9
165.05530	2.8
165.09142	5.9
166.08604	2.2
175.11189	3.2
175.14822	60.1
176.15088	2.7
178.02625	6.1
178.05904	5.4
190.29723	1.5
193.04955	19.7
193.08519	20.3
193.12285	4.3
193.15886	45.1
193.17644	2.6
194.15430	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.02343	1.2
53.03932	5.1
53.64545	1.2
55.01864	6.0
55.05511	41.9
57.03427	3.1
57.07060	5.7
59.04995	2.7
61.19310	1.4
65.03934	3.7
67.05502	35.4
67.31268	1.3
69.03411	3.8
69.07068	20.8
69.93042	4.7
69.93446	3.5
71.04977	1.5
72.30186	1.6
79.05492	29.1
80.67481	1.5
81.03414	9.1
81.07057	47.0
83.04981	51.8
83.08624	7.3
85.06555	3.9
91.05478	25.7
93.07040	22.7
95.04961	13.6
95.08598	26.3
96.75285	1.7
97.02853	2.4
97.06511	4.1
98.41803	1.3
99.08085	4.0
102.92699	1.3
103.05473	14.3
104.06238	1.8
105.03375	3.0
105.07030	100.0
106.07363	4.9
107.04963	4.5
107.08599	21.9
109.02885	1.8
109.06521	12.2
109.10160	44.9
111.04489	1.4
111.08074	5.0
111.35141	1.4
115.05449	20.5
117.07001	2.8
118.04151	13.4
119.04941	4.0
119.07694	2.1
119.08572	39.5
121.06490	3.4
121.10156	6.8
123.08071	10.0
123.11690	4.2
125.09640	4.0
129.07042	2.9
131.04953	4.7
131.08571	2.6
132.05704	2.6
133.02859	4.1
133.06487	72.6
133.10132	43.8
134.06870	4.6
135.04439	1.7
135.08028	4.3
135.11684	19.7
137.06026	6.9
137.09613	32.4
143.06027	4.5
145.10106	3.0
147.04398	2.7
147.08035	3.8
147.11682	12.7
149.02319	2.2
149.05975	3.3
149.09598	2.0
149.13249	5.2
150.02968	1.8
150.06743	3.8
151.07542	2.7
151.11159	3.9
160.12492	1.5
161.05981	52.1
162.06325	2.7
163.03822	1.6
165.05487	2.5
165.09097	4.9
165.16368	2.0
175.07535	3.6
175.11223	2.5
175.14822	36.7
178.02611	5.1
178.06223	1.9
192.99504	1.9
193.04965	16.7
193.08580	26.7
193.12193	7.5
193.15930	27.5
194.15436	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.02394	0.8
53.03934	2.2
55.01868	6.8
55.05508	11.6
55.53221	0.7
56.96563	1.0
57.03426	1.6
57.07067	2.5
65.03937	2.8
67.05501	13.1
68.99805	1.0
69.03429	3.4
69.07066	11.5
71.04994	3.2
71.24443	0.8
71.24807	1.8
77.03973	1.0
78.04696	1.0
79.05492	20.5
81.03413	3.3
81.07050	15.9
83.04972	17.3
83.08619	3.4
85.02918	0.9
85.06532	2.0
87.90406	0.7
90.04692	2.0
91.05470	19.7
93.07047	11.9
94.04189	0.8
95.04970	9.1
95.08600	14.0
97.02892	0.8
97.06511	2.2
97.10151	0.9
98.97600	1.1
99.08072	4.7
103.05463	16.9
104.06249	3.5
105.03400	1.7
105.07024	100.0
106.06588	0.8
106.07349	3.4
107.04977	3.8
107.08588	12.2
109.02842	1.1
109.06519	9.8
109.07624	1.1
109.10147	17.3
111.08064	2.4
115.05446	22.2
117.07020	2.4
118.04160	10.2
119.04915	2.6
119.08574	19.4
121.06496	2.2
121.10150	7.6
122.03635	1.1
122.07178	1.5
123.04457	1.6
123.08070	7.6
123.11713	3.1
125.09621	1.3
128.06230	1.1
129.07007	1.7
131.04910	4.2
131.08572	3.8
132.05688	3.4
133.02869	6.5
133.06485	78.8
133.10121	20.2
133.11093	1.4
134.06938	1.8
134.99654	0.8
135.08005	2.8
135.11684	11.2
137.05962	5.5
137.09608	13.9
143.04982	1.3
143.06032	4.9
145.06558	1.0
146.03598	1.8
147.04440	5.3
147.08038	10.5
147.11652	7.9
149.05966	3.0
149.09610	2.0
149.13235	2.6
150.03111	2.7
150.06754	1.3
151.07535	4.3
151.11157	3.4
151.14806	1.0
152.07129	1.0
157.06502	1.1
160.05167	1.8
161.05974	56.7
162.06390	2.6
165.05501	3.6
165.07001	7.8
165.09109	3.2
175.03894	1.4
175.07527	11.1
175.11211	3.4
175.14784	7.7
176.08035	1.3
178.02596	4.5
178.06337	4.0
192.71931	0.7
193.01511	0.8
193.03249	1.7
193.04948	17.3
193.06628	2.0
193.08589	48.9
193.12175	5.9
193.15865	17.3
193.17647	1.3
194.08961	1.2
204.97568	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03945	3.9
55.01867	3.9
55.05511	49.0
57.03413	1.6
57.07074	5.0
59.04995	1.8
65.03925	1.2
67.05505	26.2
69.03428	5.3
69.07069	30.5
71.04997	6.1
71.46632	1.3
77.03935	1.3
79.05492	20.3
81.07055	51.4
82.07397	0.9
83.04981	100.0
83.08620	6.8
85.06546	4.6
91.04955	1.4
91.05474	11.2
93.07037	24.0
93.32383	0.8
95.04967	9.6
95.08606	31.8
97.06532	5.9
97.10149	1.6
98.21047	1.2
99.08071	1.6
103.05481	4.3
105.07030	33.6
107.08593	29.5
109.06528	20.4
109.10157	41.8
111.08078	7.0
111.11713	2.0
115.05452	4.0
117.07020	1.8
118.04152	2.2
119.08578	31.7
121.10159	14.1
123.08075	14.1
123.11702	9.8
125.09606	3.7
131.08580	1.6
133.02852	1.8
133.06496	15.3
133.09114	1.6
133.10127	30.2
135.11690	32.6
137.05984	1.0
137.09616	29.4
137.13255	1.5
141.53854	0.8
147.07993	1.3
147.11671	5.7
149.13278	4.2
151.11177	5.3
151.14781	1.2
160.12488	1.0
161.05971	10.7
175.07574	1.3
175.14822	27.8
178.02594	1.0
193.04977	4.1
193.08684	5.0
193.15883	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
52.06532	3.4
53.03948	7.1
55.01862	5.3
55.05512	49.0
57.07052	5.1
59.04997	3.2
60.47038	3.6
65.70297	3.2
67.05502	29.4
69.03430	6.3
69.07069	30.8
70.93503	9.0
70.93854	3.1
71.04973	6.4
79.05483	29.9
81.07053	58.4
82.21030	3.4
83.04977	100.0
83.08612	9.9
85.06535	4.8
91.05481	19.9
91.05968	2.7
93.07049	22.3
95.04956	8.9
95.08604	29.0
97.10181	3.5
103.05444	8.3
105.07030	60.7
106.07310	3.6
107.04938	3.6
107.08594	32.9
109.05898	3.2
109.06496	19.6
109.10152	41.8
111.08056	4.7
111.11710	3.5
115.04703	3.3
115.05451	12.7
118.04140	3.6
119.08588	32.7
121.10153	12.8
123.08066	21.7
123.11706	9.0
133.06483	36.5
133.10130	34.4
135.11684	33.1
137.09604	25.2
147.11681	9.1
149.13248	5.4
151.11174	6.2
161.05986	26.3
163.67322	3.5
175.07535	6.2
175.14828	27.3
193.04945	28.9
193.08626	9.0
193.15891	31.6
196.06853	3.6
211.31326	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	193.1223
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03933	3.4
55.01874	5.7
55.05517	6.5
57.03435	19.5
57.07069	3.2
65.03927	1.6
67.05507	11.4
67.41119	0.7
68.99749	0.7
69.03413	2.9
69.07068	3.9
71.04991	1.9
72.70215	0.8
77.03931	0.8
79.05492	18.7
81.03417	15.1
81.07058	12.0
83.04971	3.1
83.08610	1.8
85.06519	2.1
86.06052	0.8
89.03954	0.8
90.04686	1.5
91.05476	22.2
93.06461	1.4
93.07042	12.4
95.04969	12.8
95.08605	9.9
97.06538	1.9
98.21533	1.5
99.08080	0.9
103.05456	13.8
104.06274	1.8
105.07026	100.0
105.55444	0.8
106.07381	1.0
107.04941	4.1
107.08587	7.1
109.02908	0.9
109.06477	5.8
109.10143	10.6
111.04458	0.9
115.05445	18.6
116.15832	0.6
117.07011	3.0
118.04160	10.7
119.04938	3.4
119.08575	29.6
120.05263	1.6
121.06503	10.8
121.10163	2.1
122.03654	0.8
123.04415	1.8
123.08045	4.8
123.11713	2.0
129.07010	2.2
131.04915	4.4
131.08592	2.6
132.05710	1.4
133.02863	5.6
133.06491	73.3
133.10124	19.9
134.06837	1.6
135.08060	2.7
135.10794	0.8
135.11702	3.4
137.05991	4.6
137.09619	13.5
137.13322	0.7
142.07780	2.6
143.04988	1.2
143.06059	4.2
145.10165	1.5
146.07364	1.0
146.97481	1.4
147.04399	2.4
147.08035	4.8
147.11685	12.3
149.02335	2.5
149.06024	1.9
149.09642	2.1
149.13252	1.0
150.03052	1.0
150.06836	0.9
150.17369	0.9
151.03908	1.0
151.07484	1.7
151.11206	1.8
157.10164	3.0
160.08807	2.1
161.05980	58.3
162.06282	1.5
165.05388	0.8
165.09105	2.0
175.07542	1.1
175.11182	10.7
175.14844	4.6
178.02606	4.4
178.06268	1.4
178.07848	0.8
192.47331	0.9
193.04953	16.9
193.08603	19.2
193.10263	1.4
193.12207	12.3
193.13982	1.5
193.15900	7.9
193.17656	1.3
194.15425	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0496
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
53.03940	0.9
54.10775	0.3
55.01878	2.3
64.03222	0.3
65.03938	0.4
66.04720	0.4
67.05505	0.5
69.03440	0.3
69.07070	0.7
70.95475	1.0
77.03928	1.2
79.05492	5.9
81.03421	0.7
81.07065	0.6
89.03902	1.6
90.04688	0.6
91.05486	3.3
93.07067	0.4
94.04192	2.1
94.04697	0.3
95.04958	2.3
98.20763	0.3
101.43734	0.3
103.05470	5.7
104.06258	0.6
105.03391	3.1
105.07029	35.2
107.04966	1.0
109.06500	0.9
115.05454	7.6
117.03403	1.0
118.04157	4.9
119.04916	0.7
119.08595	1.2
120.12173	0.3
121.02863	0.4
121.06512	0.6
122.03647	8.2
123.04391	0.5
123.08067	0.7
125.06001	0.6
128.50919	0.4
129.06955	0.3
131.04919	1.1
131.49332	0.3
132.05685	0.8
133.02853	53.1
133.06491	29.1
133.07265	0.5
134.03212	0.6
135.04382	0.4
137.05978	15.8
137.09572	0.4
143.04977	0.6
143.06044	1.5
144.74126	0.4
147.08040	1.2
148.36650	0.3
149.05986	4.4
150.03120	6.6
151.07651	0.4
161.02364	0.8
161.05975	24.0
165.05473	4.9
165.09126	0.3
175.07500	0.8
178.02609	31.7
179.02965	0.4
193.04962	100.0
193.08556	4.7
193.15942	0.6
194.05313	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.02357	0.5
53.03941	1.3
53.44113	0.4
55.01868	4.4
56.90753	0.5
62.48566	0.4
65.03928	0.5
66.04713	0.8
67.05499	1.0
69.07041	0.7
69.26337	4.5
75.88960	0.4
79.05492	13.4
81.03414	1.1
81.07051	1.1
83.04958	0.6
89.03895	0.6
90.04700	1.9
91.05475	6.0
92.02600	0.4
93.07038	0.6
95.04954	3.1
95.08614	0.7
98.21461	0.8
102.04655	0.4
103.05463	16.9
104.06236	1.3
105.07025	100.0
106.07362	1.7
107.04946	1.2
107.08550	0.5
109.06523	0.6
109.10140	0.8
112.89001	0.5
115.05450	22.5
117.07002	0.4
118.04158	12.1
119.05018	0.5
119.08552	1.4
121.10177	0.5
123.08039	0.5
131.04919	3.5
132.05698	1.9
133.02841	1.2
133.06485	80.1
134.06828	1.5
135.11676	0.7
137.06000	1.2
137.09525	0.5
143.04927	1.4
143.06047	5.0
147.04370	0.8
147.08080	0.4
147.11740	0.5
149.05949	1.0
160.05182	0.5
161.05974	69.8
162.06274	2.0
165.05446	0.8
165.09160	0.5
175.03972	0.7
178.06247	0.6
193.04977	2.8
193.08592	9.4
193.10326	0.8
193.12260	0.7
193.15990	0.8
214.76912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.6
53.66966	0.5
55.01870	1.1
55.05510	1.0
63.02368	0.6
65.72414	0.6
66.04668	0.5
67.05476	1.0
68.99763	0.8
69.07059	0.7
69.46669	5.3
71.39869	0.5
76.89240	0.5
77.03922	0.8
78.04697	4.7
79.05494	3.1
81.03427	0.8
81.07051	2.3
81.40123	0.5
83.04964	0.5
84.08136	2.2
84.72755	0.5
89.03916	4.0
90.04700	5.0
91.05480	7.3
92.05842	0.7
93.07031	1.0
95.04974	2.2
98.09718	0.6
100.07610	1.6
102.04678	2.6
103.05465	25.9
104.06259	16.3
105.03393	2.6
105.04529	1.0
105.06389	1.0
105.07028	13.5
106.04176	5.4
106.59219	0.7
107.04922	0.9
107.08586	1.4
108.08916	1.0
109.06542	0.6
110.10403	0.6
112.11205	0.9
114.04618	0.6
115.05455	4.2
117.02605	1.1
117.03374	11.5
118.04182	4.2
119.04982	3.3
121.06520	4.5
130.04198	0.7
131.04922	100.0
132.05707	95.2
133.02892	0.7
133.06514	11.2
134.03601	2.6
135.04385	1.3
135.11739	0.7
136.12027	0.6
145.02835	1.6
146.03668	0.7
146.10464	0.6
147.04413	1.4
148.05176	0.6
149.05975	18.4
159.04402	1.2
160.05188	34.0
161.05975	11.8
163.03886	1.0
163.07436	0.6
164.07918	0.9
165.05438	0.7
175.07523	0.7
177.05463	47.0
178.02655	0.7
178.05779	1.1
192.07806	51.3
192.14841	2.6
192.17340	2.7
193.04974	1.6
193.08543	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	193.0496
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
51.02363	0.4
53.03948	1.2
55.01870	2.8
55.05517	1.0
56.96566	0.6
57.03412	0.3
57.07094	0.6
61.86210	0.3
62.19288	0.3
62.87286	0.4
65.03956	0.9
66.04738	0.6
67.05503	1.4
69.03435	0.6
69.07082	1.9
69.75938	2.3
72.01004	0.3
77.03931	1.0
77.47365	0.3
79.05494	7.1
79.94594	0.3
81.03403	1.8
81.07069	1.3
81.45972	0.3
83.04981	1.4
85.02908	0.4
89.03926	1.5
90.04694	0.9
91.05485	6.2
93.07037	1.3
94.04182	1.8
95.01300	0.5
95.04972	2.9
95.08603	1.0
97.06533	0.7
97.53953	0.4
98.21481	0.6
102.04697	0.4
103.05469	6.2
105.03387	2.6
105.07030	34.0
107.04933	2.1
107.08575	0.9
109.02876	0.8
109.06508	1.7
109.10140	0.5
111.04439	0.4
115.05458	8.2
117.03407	0.7
117.06965	0.7
118.04149	4.3
119.04963	1.0
119.08557	2.2
121.06504	1.3
122.03647	8.5
123.04429	0.5
123.08093	1.0
125.06015	2.4
129.07008	1.2
131.04939	1.7
132.05707	0.9
133.02853	52.8
133.06490	30.5
133.10181	1.0
134.03601	0.5
134.07103	0.5
135.08015	0.6
137.05977	15.2
137.09572	0.6
143.04994	0.7
143.06047	1.7
147.04390	0.6
147.08023	2.8
148.08690	0.4
149.02393	0.4
149.05977	4.3
150.03123	6.7
151.03920	0.5
151.07529	1.0
161.02319	0.8
161.05980	27.2
165.05492	5.3
165.09151	0.9
175.07574	2.6
175.11195	0.6
178.02612	32.8
193.04961	100.0
193.08569	8.0
193.12271	1.1
193.15892	1.2
194.05362	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16045	1.9
53.03927	5.4
55.01859	6.8
55.05505	14.2
55.25182	1.5
57.03415	2.9
57.07062	6.5
58.06587	1.5
59.04986	3.0
60.59911	1.3
62.13758	1.4
65.03902	1.6
67.05504	22.0
69.03429	12.8
69.07064	25.2
70.71110	4.7
71.04987	4.6
79.05071	2.5
79.05492	33.5
81.03381	2.7
81.07058	31.7
83.04979	6.4
83.08616	4.7
84.08151	8.3
85.06563	1.9
89.57899	1.4
91.05481	49.2
91.18409	1.4
93.07037	54.3
95.04961	12.1
95.08601	41.4
97.06518	8.4
98.09699	1.7
100.07621	8.2
102.04690	1.9
103.05465	24.9
105.07027	46.5
106.14845	1.5
107.04951	21.5
107.07864	3.6
107.08591	70.9
109.06522	12.9
109.10157	26.4
111.08052	4.1
112.11204	2.4
115.05458	5.4
116.06213	3.2
117.07013	25.1
118.04141	4.8
119.05018	2.0
119.08576	27.3
120.05711	1.8
121.06499	38.5
121.10135	47.6
123.08044	11.6
123.11688	1.8
129.07005	6.6
130.04149	1.9
130.07811	2.4
131.04929	12.6
131.07579	2.9
131.08565	51.1
133.02831	4.7
133.06508	3.7
133.10132	34.8
135.08060	37.0
135.09134	2.9
135.11681	11.4
137.09601	2.7
143.08566	13.8
144.09344	2.4
145.06502	2.5
145.10127	27.5
147.08037	3.0
147.11676	22.5
148.05208	8.8
148.08809	3.7
149.05789	1.5
149.09613	23.4
149.13263	17.3
151.11040	2.0
158.10927	15.6
159.07990	2.4
161.09622	2.6
161.13344	1.5
162.10300	1.8
163.03845	2.1
163.07536	10.8
163.11191	3.8
163.14838	15.9
171.11601	2.0
173.13257	55.0
173.14696	3.3
174.13599	1.8
176.04720	4.6
176.11882	2.0
191.07002	10.9
191.10690	4.4
191.14307	100.0
192.14616	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.21032	1.7
55.05505	7.9
57.03422	1.7
57.07061	2.1
67.05508	12.1
69.03424	10.5
69.07068	16.9
70.05730	6.5
71.04987	12.0
79.05491	16.8
81.07057	16.3
83.04959	4.5
83.08592	3.5
85.06526	6.5
91.05475	26.6
93.07047	28.4
95.04962	7.2
95.08608	20.1
97.06540	13.4
102.04681	2.5
103.05460	15.0
105.07030	38.2
107.04996	3.2
107.08588	43.7
108.08897	1.9
109.06512	9.6
109.10155	12.7
109.15594	1.5
111.08053	3.5
115.05434	2.4
117.07021	7.0
118.04131	3.7
119.08564	17.4
121.06554	9.1
121.07281	2.0
121.10146	32.4
123.08050	5.2
129.07008	4.4
130.04170	3.5
130.07756	3.9
131.04909	8.1
131.08578	27.0
133.02838	3.0
133.10118	25.6
135.08052	26.6
135.11696	9.1
143.08554	8.3
145.06512	2.4
145.10094	15.7
147.11667	16.6
148.05191	6.6
149.09602	7.2
149.13251	16.3
158.10852	9.0
161.09641	2.1
162.27187	1.7
163.07524	8.8
163.11183	2.1
173.09543	1.7
173.13258	29.6
176.04741	3.0
176.11980	1.6
186.99039	1.5
191.06999	9.8
191.08652	2.0
191.10693	7.8
191.14301	100.0
192.14703	3.2
192.38898	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0767
Annotation	Carbendazim
Peak:m/z	Relative Intensity
55.01854	0.3
58.06596	0.2
58.61343	0.1
65.03925	0.2
69.07061	0.2
70.78840	0.2
70.79201	0.3
71.46159	0.1
74.40163	0.1
79.05481	0.4
84.08142	0.3
91.05460	0.7
92.04981	0.4
93.07009	0.2
95.04964	0.3
100.07613	0.4
103.05451	0.4
105.04498	0.4
105.07031	1.9
112.11260	0.2
115.05422	0.5
118.04158	0.2
119.08550	0.2
132.05569	3.7
132.95810	0.2
133.06444	1.7
135.05518	0.5
143.06046	0.1
143.55478	0.1
147.08023	0.3
150.03076	0.1
160.05057	100.0
161.05438	1.0
175.07545	0.3
178.02635	0.5
188.19681	0.1
192.07674	13.3
192.17450	0.6
193.04912	0.8
193.08485	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.6
53.03948	0.6
55.01877	0.9
58.06595	0.7
61.57483	0.4
63.02384	0.5
63.24936	0.4
65.03926	0.5
66.04700	0.7
67.05495	0.8
68.99792	1.1
69.07050	0.5
70.97279	1.5
71.01347	1.2
72.61665	0.4
76.70731	0.5
78.04704	4.6
79.05498	2.6
80.35080	0.5
81.07056	1.2
83.26704	0.4
84.08142	2.8
89.03911	4.9
90.04703	4.2
91.05489	6.7
92.05782	0.6
93.03376	0.5
93.07035	1.0
95.04978	1.9
98.09667	0.9
100.07624	3.2
102.04681	1.8
103.05464	21.6
104.06252	17.9
105.03406	2.5
105.07037	4.6
106.04181	4.7
106.06506	0.4
106.07356	0.8
107.04949	1.0
107.07346	1.2
107.08610	0.7
107.23705	0.5
112.11227	1.1
114.04665	1.0
115.05473	2.6
116.36723	0.4
117.03372	9.2
117.05722	0.5
118.04188	2.9
119.04967	3.4
121.06482	4.0
131.04927	100.0
132.05710	94.8
133.06567	4.5
133.10092	0.6
134.03664	2.8
134.10484	1.2
135.04422	0.8
145.02812	2.1
145.06433	0.5
147.04401	1.6
149.05978	17.5
150.12737	1.0
159.04430	2.1
160.05191	34.9
161.06006	4.9
163.07535	0.9
164.07965	0.5
165.05426	0.9
174.12833	0.5
175.07571	1.1
177.05467	50.9
178.05840	1.0
192.07809	51.7
192.13693	3.5
192.17500	1.5
193.04994	1.2
193.08417	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.02387	1.9
51.36328	1.6
53.03927	6.2
55.01863	2.6
55.05510	18.4
56.96552	2.4
57.03406	2.2
57.07058	4.9
59.04984	1.7
64.22940	1.5
65.03928	4.6
67.05505	16.0
67.14946	1.4
69.03426	43.6
69.07063	20.5
70.08473	8.1
71.04991	1.7
79.05491	72.9
81.03405	3.2
81.06585	3.1
81.07054	62.5
83.04978	18.3
83.08612	7.6
84.08131	2.9
85.06510	3.9
91.05480	39.2
93.07039	44.9
95.04964	14.5
95.08598	27.6
97.06507	6.2
97.10136	2.9
98.20872	2.2
100.07589	2.8
102.04684	2.8
103.04781	2.9
103.05457	31.9
105.03381	3.7
105.07027	39.8
107.04950	34.3
107.08588	95.3
109.06509	9.0
109.10153	17.8
110.07339	1.8
111.08071	4.3
115.05432	5.2
117.07035	10.5
118.04146	11.0
118.22817	1.4
119.04951	2.6
119.08576	15.3
120.05753	1.7
121.06509	18.0
121.10136	47.3
122.07265	5.8
122.10606	1.5
123.08068	7.7
123.11723	2.1
129.07001	3.2
130.04164	2.9
130.07825	3.2
131.04922	17.0
131.08566	29.1
132.05684	2.3
133.02843	4.9
133.06454	4.6
133.10126	97.8
134.41374	1.4
135.08041	26.6
135.11697	21.1
137.09608	23.6
143.08516	8.1
144.09225	2.9
145.06506	1.6
145.09032	2.7
145.10110	31.5
146.03638	1.7
147.08075	3.2
147.11699	11.3
148.05162	12.6
148.08800	3.2
149.09628	11.4
149.13272	20.1
158.10895	14.5
161.09575	4.9
163.03909	1.8
163.07529	20.5
163.11192	5.3
163.14804	5.7
173.09576	5.4
173.13258	32.3
176.04663	5.5
176.11890	1.8
191.03351	2.2
191.07027	15.0
191.08667	2.3
191.10742	9.6
191.14301	100.0
191.17874	8.8
192.14709	2.2
206.23093	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.05507	14.2
59.04992	3.2
59.86164	1.9
65.03944	2.2
66.16861	1.9
66.76412	2.2
67.05511	10.5
69.03430	36.7
69.07066	16.6
69.54166	15.3
71.04982	2.8
79.05067	3.0
79.05495	40.2
81.07053	35.3
83.04984	15.6
88.26852	2.1
91.05491	32.0
92.06234	2.1
92.85304	2.4
93.07040	26.2
95.04957	7.2
95.08605	21.8
97.06528	19.9
103.05475	11.1
105.07016	26.4
107.04955	21.4
107.08591	57.2
109.06534	15.4
109.10171	14.8
115.05437	3.9
117.06999	9.1
119.08590	19.0
121.06497	18.4
121.10159	26.7
123.08063	11.0
129.07028	4.3
131.04932	9.2
131.08577	23.3
133.02901	2.5
133.06473	3.8
133.10124	33.7
135.08051	29.3
135.11694	13.4
137.09598	9.4
143.08562	9.2
144.09348	3.9
145.06517	3.4
145.10100	15.7
147.11638	8.0
148.05185	4.7
148.08815	2.7
149.09616	18.3
149.13248	16.1
158.10930	16.7
161.09566	6.8
163.07552	5.6
163.14830	5.4
173.05872	2.5
173.09711	2.7
173.13266	54.9
176.11937	4.3
191.06973	6.6
191.10594	5.2
191.14305	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03934	2.0
55.01863	3.0
55.05505	11.2
56.96558	1.0
57.07073	9.6
58.06593	1.4
59.04999	27.0
59.10453	1.0
62.67864	1.0
65.03931	2.5
67.05502	11.3
68.53967	1.0
69.03426	17.9
69.07064	15.7
69.33691	1.7
69.34092	8.7
71.04967	1.9
78.09944	0.9
79.05489	16.3
81.06581	1.5
81.07053	18.1
83.04987	8.1
83.08606	4.6
84.08143	5.9
85.06533	1.8
91.05479	19.0
93.07039	23.9
95.04962	14.9
95.08601	19.4
97.06528	9.8
97.10199	1.1
98.09682	2.4
100.07049	1.0
100.07609	5.6
102.04683	1.5
103.05463	9.9
105.07028	23.4
107.04965	5.6
107.08590	42.4
109.06509	8.2
109.10168	6.0
111.08051	2.7
112.11265	2.7
115.05434	2.9
116.06226	1.0
117.07029	8.4
118.04166	2.8
119.04965	1.2
119.06068	1.1
119.08575	13.4
121.06505	21.4
121.10139	40.8
123.08062	7.5
129.06964	3.6
130.04173	1.1
130.07765	2.4
131.04912	11.6
131.07591	1.3
131.08572	21.0
132.05678	3.3
133.02869	2.1
133.06554	5.1
133.10136	18.3
135.04446	1.2
135.08057	22.1
135.11697	8.9
137.09622	1.9
143.08533	6.1
145.06459	1.6
145.10124	17.8
147.08040	4.4
147.11694	14.8
148.05229	5.3
148.08829	9.6
149.05948	1.7
149.09615	15.2
149.13257	11.4
150.09872	1.4
158.10896	10.8
160.05095	1.3
161.06102	1.0
161.09543	2.4
163.07544	8.7
163.11198	2.4
163.14780	7.5
168.17627	1.1
173.09642	1.3
173.13266	22.0
176.04730	1.7
176.12006	2.1
177.05499	1.7
191.03328	2.3
191.07007	9.1
191.10690	6.8
191.14301	100.0
192.07806	1.9
192.14584	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33627	1.6
53.03936	3.3
55.01860	3.1
55.05507	9.7
57.03432	1.8
57.07074	2.5
62.00386	1.6
67.05504	10.5
69.03430	21.5
69.07063	12.3
79.05483	14.8
81.07047	13.3
83.04641	1.4
83.04993	15.2
83.08614	3.3
84.08128	2.6
85.06541	2.3
91.05482	18.8
91.94740	1.6
93.07040	17.9
95.04970	11.0
95.08604	10.1
97.06525	4.5
98.20774	3.0
98.75324	1.6
100.07640	3.8
103.05454	13.9
105.03347	1.7
105.07039	22.6
107.04945	7.4
107.08596	36.7
109.06503	4.4
109.10181	5.6
111.08106	2.5
115.05460	2.2
117.07014	7.4
118.04149	3.1
119.04908	2.4
119.08574	14.4
121.06507	17.1
121.10148	25.3
123.08076	4.5
129.06993	4.5
130.07751	2.5
130.55667	1.6
131.04933	12.1
131.08568	29.0
133.02847	2.5
133.06487	1.7
133.10138	22.2
135.08051	23.7
135.11690	7.4
137.09715	1.7
143.08572	5.7
144.09401	2.1
145.10124	20.5
147.08058	4.0
147.11707	12.9
148.05177	6.8
148.08786	4.5
149.09605	11.7
149.13208	9.4
158.10919	9.6
159.08049	2.5
161.09601	7.3
163.03882	1.9
163.07559	9.3
163.11101	2.6
163.14786	3.3
165.96426	1.8
166.76370	1.8
173.09576	1.8
173.13254	19.2
176.04681	3.3
176.11972	3.4
191.03394	4.2
191.06956	9.9
191.10632	9.7
191.14305	100.0
192.14636	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78725	1.8
53.03926	4.8
55.01857	9.6
55.05506	14.9
57.03433	4.7
57.07057	8.0
59.04989	4.5
65.03928	2.6
67.05241	1.9
67.05504	24.0
69.03432	16.2
69.07066	29.1
69.85331	13.5
71.04984	6.5
79.05496	32.1
81.07049	33.8
83.04984	14.5
83.08601	6.7
85.06536	2.6
86.50315	2.1
87.72228	2.2
91.05476	51.8
93.06473	4.2
93.07035	51.4
95.04966	17.2
95.08598	57.9
97.06516	8.1
103.05469	20.8
105.07029	49.2
107.04954	27.4
107.08582	88.0
109.06525	11.6
109.10165	25.7
111.08059	5.2
115.05432	7.1
116.06283	2.6
117.07007	28.9
118.04104	5.4
119.04953	2.1
119.08581	32.8
121.06501	42.5
121.10133	46.6
123.08038	9.2
123.11734	3.2
129.07004	6.2
130.04179	3.4
130.07784	3.4
131.04932	12.2
131.08562	56.2
133.02861	3.5
133.06415	2.5
133.10117	35.4
135.07129	2.1
135.08043	48.9
135.11703	13.7
137.09521	3.4
143.08568	14.9
144.09254	2.4
145.06473	3.2
145.10121	30.3
147.11664	28.5
148.05196	8.9
149.09610	27.2
149.13251	19.5
158.10881	17.5
161.13272	5.4
163.07529	14.2
163.11179	5.5
163.14824	19.1
171.11655	2.5
173.05966	3.1
173.13258	63.7
174.13557	3.0
176.04765	4.8
176.11861	2.2
191.06993	10.6
191.10603	4.2
191.14299	100.0
192.14511	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03931	1.0
55.01866	2.0
55.05502	5.8
57.03429	2.0
57.07064	2.7
67.05493	5.6
68.26530	1.2
69.03427	15.1
69.07060	7.5
70.72137	3.7
71.04967	2.0
79.05487	9.8
81.03397	1.8
81.07068	8.7
83.04971	14.9
83.08606	3.4
85.06528	1.5
87.42780	1.0
91.05480	15.5
93.07029	11.3
95.04948	4.6
95.08611	6.2
97.06518	3.2
103.05475	9.4
105.03381	1.3
105.07024	22.7
107.04939	3.8
107.08590	27.8
109.06509	5.4
109.10146	4.4
111.08104	1.7
115.05450	2.7
117.07008	5.4
118.04170	3.2
119.04893	1.9
119.08562	12.2
121.06522	10.1
121.10146	16.0
123.08067	3.8
128.06177	1.2
129.06993	3.1
130.04128	1.6
130.07797	1.7
131.04922	7.4
131.08569	20.4
133.02780	1.7
133.06467	2.6
133.10126	30.2
135.08047	19.6
135.11662	5.9
136.08778	1.3
143.08562	6.9
144.09312	2.0
145.06509	2.2
145.10138	14.7
147.04396	1.9
147.08080	2.6
147.11650	10.1
148.05168	5.4
148.08759	1.4
149.05962	3.7
149.09607	6.2
149.13252	6.3
158.10915	10.4
159.07907	1.0
161.09599	5.3
163.03920	1.7
163.07512	5.5
163.11151	3.1
163.14799	2.2
173.09627	1.9
173.13272	22.2
176.04610	2.6
176.11958	3.4
191.03395	2.9
191.06993	9.1
191.10722	5.9
191.14297	100.0
192.14604	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	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.6
53.03931	1.3
55.01858	1.8
55.05506	7.7
57.03416	0.7
57.07058	2.9
57.78662	0.6
60.11318	0.6
65.03942	0.9
67.05506	5.4
69.03426	28.1
69.07065	10.0
69.79724	3.8
71.04965	1.7
79.05491	8.3
81.07052	5.6
83.04980	22.4
83.08614	3.9
85.06524	1.7
88.85038	0.7
91.05473	11.6
93.07036	10.5
94.28277	0.6
95.04965	3.2
95.08598	6.6
97.06509	2.7
103.05466	2.2
105.07027	16.7
107.04948	3.0
107.08589	31.8
107.82004	0.6
109.06479	5.0
109.10139	3.8
115.05380	1.6
116.06261	1.1
116.73574	0.6
117.06992	3.1
118.04186	0.7
118.82326	0.6
119.08577	13.1
121.06492	9.5
121.10131	18.5
123.08038	3.3
129.07001	2.9
131.04900	1.7
131.08560	18.8
133.06493	1.5
133.10132	21.6
135.08047	20.9
135.11667	3.3
136.08778	2.4
137.09584	1.1
143.08553	7.6
144.09311	2.1
145.10115	9.1
147.08018	1.3
147.11679	8.9
148.04770	0.8
148.08884	1.5
149.09618	6.9
149.13263	6.2
158.10910	15.3
161.09621	9.7
163.03841	1.8
163.14803	2.6
171.11647	0.8
173.11743	1.2
173.13255	22.8
176.04677	1.1
176.11913	3.9
191.03354	1.3
191.06915	2.1
191.14299	100.0
192.14687	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03937	4.0
55.05509	9.0
57.03430	4.9
67.05502	9.5
69.03429	37.8
69.07068	12.4
71.31258	3.9
71.31595	6.4
79.05492	23.1
79.92097	3.3
81.07046	26.7
83.04962	12.6
91.05484	17.0
93.07055	16.0
95.04940	3.8
95.08596	12.4
101.31612	2.5
105.07032	26.8
107.04954	9.6
107.08595	59.1
109.06519	5.1
109.10152	14.9
119.08617	18.0
119.59341	2.6
121.06515	7.7
121.10149	35.2
129.06978	3.1
131.08565	28.4
133.10130	100.0
135.08058	14.7
135.11688	8.6
136.21793	3.3
137.09619	14.8
143.08577	9.5
145.10088	15.5
147.11699	9.5
149.09627	7.9
149.13217	20.4
158.10910	18.1
163.14795	6.5
173.13240	52.1
174.13625	4.1
177.11378	2.6
177.76845	2.9
191.14313	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0702
Annotation	1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
Peak:m/z	Relative Intensity
53.03928	2.9
55.01855	1.3
55.05505	1.2
57.03417	0.9
57.73005	0.7
66.04709	2.5
67.05476	1.4
68.99760	0.8
69.03426	1.6
69.07043	1.4
71.24303	1.6
71.24642	1.5
77.03887	0.8
79.05496	8.8
81.07026	1.4
83.04981	0.9
89.03908	1.2
90.04707	4.8
91.05480	12.9
92.06230	2.2
93.07030	4.5
95.04981	6.3
95.08595	1.7
97.06457	0.8
100.07584	1.2
102.04672	5.3
103.05468	100.0
105.03399	13.1
105.04502	1.5
105.06396	1.3
105.07034	15.0
107.04949	6.9
107.08595	5.5
107.09202	0.7
109.06519	1.1
115.05462	7.7
117.03368	1.2
117.07030	5.0
118.04164	28.0
119.04963	10.6
119.08583	3.4
120.05755	5.3
121.05396	0.8
121.06476	2.5
121.10144	2.8
129.06973	1.3
130.04143	10.6
131.04932	53.7
131.08571	5.5
132.05768	5.5
133.02847	20.4
133.06468	7.5
133.10109	3.9
135.08040	7.4
135.11707	1.5
145.06483	3.4
145.10110	3.4
146.03621	9.8
147.04413	2.8
148.05191	54.8
149.05699	1.0
149.09589	2.1
149.13210	1.5
152.04716	0.9
159.04390	1.2
161.05994	1.3
163.07545	70.1
164.07866	1.3
168.23134	0.8
173.06003	6.4
173.13237	3.3
176.04694	10.5
191.07025	38.2
191.10680	2.1
191.14340	7.4
211.91435	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01857	1.9
55.05511	7.5
57.03428	0.5
57.07064	2.6
59.04988	0.4
65.03928	2.1
67.05502	13.6
69.03428	16.8
69.07063	13.4
69.27200	4.0
69.27628	1.8
71.04980	2.4
76.53738	0.4
77.03906	0.5
79.05489	12.9
81.07050	17.8
81.07522	1.1
83.04973	12.1
83.08611	3.6
85.06542	1.3
91.05470	13.9
93.07037	18.0
95.04967	16.4
95.08602	18.7
97.06526	8.1
97.45470	0.4
103.05467	2.8
105.07023	17.6
107.04954	4.6
107.08588	43.8
109.06513	9.8
109.10155	6.5
111.08072	2.8
115.05452	1.6
116.06214	1.3
117.07000	4.8
119.04948	0.6
119.08574	12.2
120.95449	0.5
121.06501	22.7
121.07377	1.1
121.10133	34.8
122.07283	0.6
123.08054	7.9
128.06210	0.6
129.07005	3.3
130.07774	1.8
131.04918	1.0
131.08557	20.1
133.06502	3.9
133.10118	17.5
135.08041	25.8
135.11674	9.6
136.08844	0.7
137.09633	0.7
138.91460	0.5
139.63388	0.4
143.08536	5.5
144.09311	1.9
145.06438	0.6
145.10117	11.0
147.08052	4.0
147.11676	16.2
148.08820	7.6
148.12480	0.6
149.09612	17.3
149.13246	12.0
156.09401	0.5
158.10899	9.6
161.09592	4.5
162.10359	1.3
163.07541	1.5
163.11176	2.5
163.14799	8.0
171.11713	1.0
173.13255	26.3
176.11981	2.3
191.07069	2.4
191.10823	2.4
191.14293	100.0
192.14618	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.5
55.05509	8.5
56.96539	1.6
59.05006	1.9
61.07104	1.4
63.27271	1.3
67.05496	7.5
69.03410	6.4
69.07037	5.6
70.34357	1.6
78.71297	1.3
79.05472	11.8
81.03388	1.5
81.07048	17.2
83.04963	2.6
83.08593	1.8
91.05470	40.1
93.07030	14.6
95.04942	5.7
95.08599	19.2
97.06477	1.7
103.05450	6.6
105.03388	1.6
105.07024	66.0
107.04919	4.3
107.08586	16.7
109.06467	3.3
109.10131	4.5
115.05440	7.5
116.06236	2.2
117.07012	13.4
119.04959	3.6
119.08572	66.9
121.06467	5.6
121.10116	5.8
123.08041	2.1
128.06204	29.4
129.06996	48.6
130.07721	5.9
131.04929	7.4
131.08543	23.6
133.06491	11.1
133.10123	54.2
135.08058	2.2
141.06987	13.3
142.07738	3.4
143.08553	20.4
144.09302	2.7
145.06485	10.5
145.10112	24.1
146.03552	2.4
146.07246	13.2
146.10847	3.6
147.04362	5.3
147.08028	23.3
147.11685	36.3
148.05185	3.9
148.11905	1.9
152.05453	1.5
155.06000	2.9
155.08546	3.3
156.09328	60.7
157.06474	15.2
157.09695	1.6
158.07236	8.2
159.04376	2.8
159.08044	13.3
159.11674	13.6
160.05214	1.7
160.08810	4.9
161.05952	18.8
161.09602	28.4
161.13210	13.9
171.08005	4.3
171.11665	70.6
174.05238	2.6
174.06752	52.2
174.10355	17.1
189.05406	5.3
189.07022	6.7
189.09088	82.0
189.12714	100.0
189.16357	36.1
190.06203	3.0
190.08617	3.0
190.13168	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00658	1.2
53.03941	1.7
55.05493	3.5
65.03931	2.0
67.05474	3.4
69.03435	8.1
69.07055	3.4
69.56644	8.4
79.05483	4.2
81.07034	4.0
83.05004	1.8
84.04488	3.7
85.04811	1.5
86.71770	1.4
91.04968	1.8
91.05482	20.6
93.07040	3.6
95.04969	3.7
103.05470	3.0
105.07030	27.5
107.04919	2.0
107.08575	5.0
109.06489	2.4
115.05435	4.2
115.41131	1.1
116.06240	2.8
117.07005	6.8
119.04926	4.0
119.08583	48.5
121.06506	5.2
121.10139	3.8
127.10672	1.0
128.06226	8.4
129.07002	9.5
130.07759	3.1
131.04904	5.2
131.08571	14.6
133.06458	4.5
133.10129	20.8
135.08031	5.1
141.06984	7.9
143.08566	8.9
145.06493	7.6
145.10117	10.6
145.70557	1.3
146.07278	7.5
146.10883	3.3
147.08043	21.6
147.11681	21.9
148.05197	4.0
148.94801	1.3
149.09622	2.1
155.08528	3.3
156.09348	42.8
157.06433	2.3
159.08061	18.2
159.11703	8.3
160.08842	8.7
160.11891	1.3
161.05986	21.3
161.09627	31.7
161.13254	21.1
171.11688	49.1
172.11989	1.8
173.09625	1.4
174.06747	4.9
174.10397	32.1
189.09152	20.6
189.12738	100.0
190.09427	1.2
190.13094	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25373	1.4
69.03416	6.1
70.81689	3.2
70.82021	1.7
79.05478	2.7
91.05470	8.4
93.07025	1.8
105.07024	14.3
111.52033	1.8
114.58723	1.6
115.05430	2.2
117.06992	4.3
119.08569	19.3
128.06248	4.6
129.06996	5.5
130.07771	7.0
130.69872	1.8
131.08554	7.6
133.10112	5.0
135.81082	1.6
141.06993	19.2
142.07741	1.7
143.08580	6.5
144.09364	3.2
145.06459	2.0
145.10123	21.1
146.10916	1.7
147.08041	7.2
147.11705	16.8
155.08551	5.4
156.09351	96.7
157.09738	2.2
159.08083	10.1
159.11693	19.6
160.08835	3.3
171.11691	100.0
172.12074	2.3
174.10397	13.2
182.55618	2.2
183.41473	1.6
189.12744	96.4
189.49858	1.7
190.13065	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88055	2.3
58.21821	2.2
69.03410	6.2
70.04824	9.8
75.33648	2.1
79.05485	4.0
83.41708	2.0
91.05501	13.4
93.07015	2.7
105.07034	15.8
107.08619	2.5
115.05460	2.6
117.06999	5.1
119.08576	29.8
128.06235	8.0
129.06995	9.1
130.07785	8.4
131.08582	11.9
133.10106	7.3
141.06993	26.6
143.08553	12.4
144.09331	2.8
145.06465	3.9
145.10138	21.7
146.07324	2.2
147.08037	8.8
147.11670	18.4
155.08488	4.3
156.09355	92.1
159.08076	13.2
159.11705	19.9
161.05991	5.4
161.09601	10.0
161.13266	4.8
161.36005	2.3
171.11690	100.0
172.12018	4.1
174.10402	16.8
189.09113	7.3
189.12741	99.1
190.13039	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23770	0.8
55.01862	2.0
55.05502	3.9
61.82073	0.8
62.66475	0.8
63.98684	0.9
65.03931	1.2
67.05502	5.1
69.03430	7.6
69.07049	3.6
70.64791	2.9
75.74613	0.8
79.05495	6.1
81.03416	0.9
81.07049	8.5
91.05476	21.4
92.68098	0.8
93.07048	6.6
95.04945	4.5
95.08611	9.3
97.29661	0.9
103.05454	3.6
105.03384	4.0
105.07027	34.4
107.04909	1.8
107.08591	10.3
109.06496	1.9
109.10131	1.5
115.05453	5.2
116.06230	1.6
116.56525	0.8
117.07021	8.5
119.04942	3.1
119.08578	42.9
121.06503	2.2
121.10124	3.3
128.06209	10.2
129.06993	15.2
130.07785	5.7
131.04904	1.6
131.08574	13.8
132.05675	1.1
133.06458	5.8
133.10135	26.4
141.06982	14.7
142.07782	1.9
143.07501	1.1
143.08560	12.0
144.08202	1.0
144.09338	3.3
145.06490	4.5
145.10117	25.0
146.07278	3.9
146.10873	1.8
147.04378	2.1
147.08037	15.4
147.11688	24.4
148.05222	1.1
153.07068	1.0
155.08549	5.5
156.09341	76.6
157.06487	3.1
157.09735	2.1
158.07263	1.0
159.08058	10.7
159.11674	17.9
160.08792	3.2
161.06007	6.1
161.09624	9.6
161.13242	5.1
171.11687	75.9
172.12027	2.8
174.06741	7.8
174.10411	14.5
175.03857	1.3
189.05411	3.2
189.07124	2.1
189.09102	18.5
189.12732	100.0
189.16342	13.3
190.06181	2.1
190.08679	1.1
190.13034	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	189.0909
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03927	1.5
53.47405	0.7
55.05492	2.7
55.06955	0.7
55.56697	0.8
65.47174	0.8
66.45427	0.7
67.05500	1.4
69.03419	1.9
69.53099	4.3
77.03907	1.0
78.28129	0.8
79.05477	2.5
81.07034	1.8
91.05477	32.3
93.07045	1.1
94.68835	0.8
95.04944	1.5
95.08585	1.0
97.48839	0.7
103.05468	6.0
105.03378	0.9
105.07030	24.2
107.04961	5.3
107.08564	1.8
110.03577	0.8
115.05457	4.5
116.06239	6.7
117.07014	4.8
118.04163	2.8
118.07772	1.3
119.04938	8.2
119.08595	9.3
121.06502	12.3
128.06221	26.4
129.06999	41.2
130.07838	5.3
131.04927	21.1
131.08575	14.1
132.05679	2.8
133.02859	1.9
133.06509	6.5
133.10109	9.3
141.06981	2.7
143.08554	4.6
144.05635	4.2
145.06497	9.7
145.10121	5.0
146.03581	2.2
146.07259	28.4
147.04407	1.5
147.08051	5.7
147.11667	7.0
148.05182	14.5
149.05963	1.6
149.09615	3.1
155.05983	2.0
156.05722	2.2
156.09337	12.7
157.06487	13.5
158.07269	1.8
159.04424	2.5
159.08017	6.3
159.11699	2.3
160.08757	2.5
161.05978	88.9
161.09608	100.0
161.13287	3.0
162.06366	1.9
162.09964	2.7
171.08060	2.9
171.11670	12.7
173.05988	1.8
174.05260	0.9
174.06778	20.2
174.10449	6.1
189.09102	98.3
189.12697	20.4
189.16388	2.2
190.09541	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	58.1
55.05513	2.4
56.19171	2.5
56.96563	31.8
57.03439	64.9
59.04984	10.9
61.02911	8.5
61.15358	2.1
68.99787	3.0
69.03421	8.6
70.98119	5.9
71.01356	30.9
71.04973	4.7
71.37016	3.6
71.37341	2.8
73.02918	26.6
74.97596	2.6
75.04455	3.9
76.74399	2.1
83.01337	15.4
83.05000	2.9
84.08127	8.3
85.02906	13.2
87.00794	4.3
87.04471	44.5
88.99171	3.2
89.02392	3.2
91.05484	3.2
95.01331	12.0
98.97569	8.9
101.00867	3.9
101.02380	100.0
102.02368	4.9
103.03944	9.9
111.00774	11.4
111.02922	4.6
113.02402	11.4
115.02479	2.7
115.03929	73.5
116.98627	8.5
117.01891	3.4
119.01917	15.9
120.03471	5.0
121.01607	2.6
127.67113	2.3
129.01845	24.8
131.01897	5.4
133.03484	3.1
134.99617	7.7
137.02953	4.4
143.01842	3.7
143.03435	5.1
145.03534	2.4
146.99611	3.0
147.11644	2.4
150.01782	3.2
157.01312	65.7
159.02696	2.9
160.97565	3.1
161.02962	5.2
162.07829	2.7
165.00716	4.7
173.02934	5.2
175.02388	8.6
177.02435	3.2
185.02954	2.5
189.03976	3.5
189.09125	3.5
189.12727	3.2
207.03339	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	188.0705
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
56.30127	0.4
64.52660	0.4
70.29310	0.4
73.28671	0.3
80.87493	0.4
84.04514	1.9
85.02921	0.5
91.05480	6.7
92.86665	0.4
115.05452	6.8
116.04969	0.4
117.05741	1.8
117.07007	4.9
118.06535	81.6
119.06889	1.6
132.08090	0.9
142.06512	8.0
143.07289	13.1
143.26483	0.4
144.04427	1.1
144.08076	26.8
145.06500	0.9
145.08368	0.5
146.05998	100.0
147.06381	2.4
155.06050	0.7
160.07578	1.3
170.06012	9.4
188.07060	15.4
188.08809	0.9
189.07404	0.6
197.37511	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88482	0.3
70.70081	1.2
70.95868	0.4
73.32519	0.4
73.87496	0.3
84.04495	1.1
91.05479	6.6
92.70380	0.3
103.05458	0.9
104.43029	0.3
112.49434	0.3
115.05453	8.2
117.05797	2.0
117.07013	5.7
118.06544	82.0
119.06876	1.8
128.04959	0.4
132.08089	0.8
142.06528	6.8
143.07304	14.8
144.04436	1.5
144.08084	24.8
145.06479	1.3
145.08459	0.5
146.06007	100.0
147.06381	2.5
155.06041	1.0
160.07576	1.0
170.06007	9.5
171.06363	0.4
188.07059	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	188.0917
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
51.48188	0.6
52.76727	0.5
55.01842	0.8
55.05504	1.1
56.05030	2.6
56.96555	0.6
57.03421	1.6
58.06579	0.9
59.05001	2.6
59.57278	0.5
60.04519	2.7
61.02643	0.8
61.02931	9.4
67.04216	0.6
67.05486	0.6
68.57410	0.6
69.03427	1.6
69.65554	1.5
69.65960	2.5
70.02941	2.9
71.04990	2.0
72.04506	1.1
72.08170	0.9
75.04478	0.9
77.43163	0.6
79.05527	0.9
80.05001	1.2
81.03401	0.8
82.06602	4.7
82.07370	0.6
83.04970	5.5
84.04506	100.0
85.02905	22.7
85.03429	0.9
85.04843	1.5
86.06081	1.2
87.04469	5.8
88.02184	0.6
91.05505	1.1
96.04520	1.0
98.06062	0.8
98.21178	1.9
100.07613	2.9
105.07035	1.3
110.06046	3.7
110.06755	1.1
110.33230	0.6
111.04494	1.6
118.06593	0.7
119.08596	1.4
126.05537	4.2
128.07074	7.8
129.05528	0.9
140.07098	1.0
142.08707	0.7
146.06064	1.0
146.08171	1.1
160.09703	0.8
161.09663	0.7
170.08270	0.8
173.08498	0.6
174.06836	0.7
188.07610	1.0
188.09239	7.4
188.10727	1.1
189.09206	1.7
189.12814	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40605	0.4
55.05502	0.9
55.24875	0.4
64.19956	0.4
67.05515	2.1
68.60788	0.4
69.03409	0.7
69.31209	2.8
69.31636	1.5
70.71301	0.5
76.72453	0.4
79.05488	0.7
81.03412	0.7
81.07045	1.4
84.04478	1.4
88.02225	1.1
90.61542	0.5
91.05472	3.8
93.07035	0.9
95.04974	0.4
99.04455	0.4
103.05440	0.5
105.06390	0.6
105.07037	8.1
107.08553	0.7
111.38823	0.4
115.05444	2.2
116.06234	1.1
117.07001	5.8
118.06534	0.4
119.08575	13.8
128.06227	3.2
129.06999	16.1
130.07793	1.6
131.04872	0.6
131.08557	11.8
141.07018	1.7
142.07765	1.2
143.08574	3.1
144.05705	2.0
144.09334	22.8
145.06467	2.2
145.10141	3.9
146.06059	1.0
147.08018	1.0
153.07007	0.4
154.07742	2.0
157.06483	2.4
157.10117	2.4
157.36598	0.4
158.07201	1.2
159.08134	3.3
159.11684	34.7
160.12051	1.1
169.10129	2.5
171.08029	0.8
172.05246	1.0
172.08806	13.1
173.00850	0.8
186.10320	0.8
187.07730	3.3
187.11171	100.0
188.11540	2.7
193.74146	0.4
203.39636	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1171
Annotation	trans-(-)-2-Acetyl-1-isopropylcyclopropaneacetic acid
Peak:m/z	Relative Intensity
52.76115	0.3
53.03948	1.2
55.01871	5.4
55.05508	10.7
56.96564	0.7
57.03442	2.6
57.07076	0.9
57.59968	0.4
65.03934	1.1
67.05505	12.4
68.96563	0.4
68.99792	0.8
69.03423	2.2
69.07069	4.8
71.01353	100.0
71.04990	7.8
71.11687	1.1
72.01701	0.6
73.02917	0.5
77.06772	0.4
79.01862	1.3
79.05148	0.2
79.05489	13.8
81.03432	2.2
81.07055	41.1
82.07422	0.5
83.04978	7.7
83.08617	2.4
85.02909	2.4
85.06541	2.8
87.04478	1.6
91.05481	3.8
93.07036	7.4
95.04963	4.6
95.08604	34.2
97.02898	3.0
97.06528	33.8
97.10162	2.6
98.97588	0.8
99.04465	1.8
99.08087	13.9
103.05503	0.5
105.07009	4.4
107.01317	6.1
107.04964	1.4
107.08594	3.5
109.06542	0.6
109.10167	1.0
111.04426	0.7
111.08070	1.5
113.06039	0.6
114.05508	0.8
116.98637	0.7
117.03401	0.4
121.06542	1.1
121.10152	1.6
123.04436	2.6
123.08065	16.5
123.08953	0.8
124.08406	0.5
125.02347	5.4
125.05973	1.2
125.09615	2.2
126.03136	7.5
126.03983	0.7
128.06216	0.9
129.06993	0.9
131.08562	2.1
139.07602	0.5
139.11220	1.2
141.07027	0.7
141.09094	6.2
142.07825	1.5
143.03468	0.6
143.08569	1.2
145.06564	0.6
149.09680	1.2
149.13326	0.4
153.01831	13.2
156.09355	0.5
157.10175	1.6
158.09697	0.7
163.41074	0.4
167.08560	0.7
167.10709	1.5
167.14330	0.6
170.10979	0.7
171.02867	2.6
181.02875	0.4
185.04492	0.9
185.08125	0.8
185.09636	1.5
185.11769	2.0
185.13272	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0444
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
51.02372	1.2
52.03143	0.5
53.03934	0.9
55.01864	1.8
60.41755	0.5
65.03925	1.5
67.05495	7.6
69.03426	2.0
69.07058	0.7
71.24002	0.9
79.01843	7.3
79.05473	2.0
81.03405	1.0
85.02924	0.9
95.04961	10.3
97.02879	3.1
105.03376	1.0
105.04501	0.7
107.01312	36.5
107.04932	1.3
108.02102	1.6
109.02847	1.5
111.04450	0.6
123.04423	18.6
125.02345	34.5
126.03130	60.3
127.03963	2.9
127.38557	0.6
135.00766	3.6
139.03888	1.1
139.07550	0.9
141.05463	2.0
143.03371	4.0
153.01820	100.0
154.02170	1.4
167.03429	0.7
171.02878	21.6
185.04430	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	185.1171
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
51.02375	1.4
51.59084	0.7
52.03139	1.1
52.19592	0.9
53.00278	1.1
53.03930	3.3
55.01864	7.1
55.05505	14.3
56.96551	1.6
57.03420	2.9
57.07059	2.3
59.04983	1.2
65.03924	2.3
67.05501	25.7
68.05017	1.0
68.99773	2.4
69.03431	10.9
69.07066	15.0
70.06566	1.4
71.00962	2.0
71.01350	35.0
71.04984	12.7
71.56567	0.8
72.08161	1.1
77.36310	0.8
79.01850	9.0
79.05486	21.8
81.03406	2.7
81.06584	1.8
81.07052	30.3
82.47972	0.8
83.04958	9.5
83.08601	1.9
84.04481	1.8
84.08134	0.9
84.48153	0.9
85.02893	3.1
85.06537	5.5
86.09692	1.0
91.05480	7.3
93.07034	21.5
95.04958	18.6
95.08604	26.5
97.02888	13.1
97.06525	16.7
97.10137	2.1
99.04462	5.3
99.08070	5.6
100.07589	0.9
100.80302	0.8
105.03382	1.1
105.04499	1.5
105.07037	5.2
107.01310	39.9
107.04915	4.1
107.08569	8.6
108.02136	1.4
109.02875	1.5
109.06485	3.6
109.10128	2.3
111.04433	16.0
111.08053	4.0
113.05997	0.9
113.09717	1.0
114.05520	2.1
116.20191	0.8
116.98608	1.8
117.03378	1.8
120.97926	0.9
121.06506	6.0
121.10127	10.8
122.89997	0.9
123.04409	17.6
123.08072	8.7
123.11694	1.2
125.02345	38.2
125.05980	10.1
125.09620	3.9
126.03130	60.1
127.03853	3.1
128.06227	1.7
129.06972	3.8
131.08545	5.0
135.00774	2.4
135.04370	1.0
139.01790	1.5
139.07576	2.0
139.11150	3.7
141.05447	2.3
141.06950	1.4
141.09093	1.8
142.07780	3.6
143.03413	4.5
143.08545	1.0
143.61371	0.9
145.02853	1.3
149.09613	6.1
153.01814	100.0
154.02127	2.7
157.06477	2.0
157.10106	2.6
163.01813	1.3
167.10657	7.1
170.07262	1.1
170.10873	2.3
171.02878	22.8
172.03281	1.0
181.02875	2.4
185.04507	5.4
185.07051	0.9
185.09659	2.6
185.11726	9.8
185.13295	2.3
185.15456	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.9
67.13309	0.3
71.35843	0.6
82.99848	0.8
101.00877	12.9
102.00979	0.5
115.94950	0.3
118.03528	0.5
119.01920	100.0
119.61478	0.4
120.02004	4.2
121.01639	0.5
121.02433	0.4
124.02423	1.0
137.02956	45.7
138.03000	2.1
142.03499	18.2
143.03621	1.5
158.06650	0.8
160.04558	8.5
160.06038	0.4
161.02946	4.6
161.04617	1.8
162.04355	0.5
165.05119	0.8
176.07629	0.4
177.00966	0.4
179.02498	0.5
179.04013	9.1
179.05557	0.8
184.04486	0.6
200.32063	0.3
202.05577	0.9
202.07298	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.2
53.39003	0.8
55.01851	2.4
55.05487	1.9
56.05019	2.5
56.96563	19.9
57.03414	3.2
58.06578	2.1
58.99848	1.0
60.04526	1.1
60.08170	1.9
60.95834	1.5
61.02906	2.2
65.03928	1.5
67.05475	1.8
68.05015	1.9
69.03439	5.1
70.06566	3.3
71.01327	0.9
71.04961	0.8
71.06091	1.4
71.56748	1.0
73.02922	6.3
80.05832	1.0
81.03395	3.3
81.07036	1.0
82.06557	3.1
83.01307	0.9
83.04973	1.3
83.06106	1.8
84.04466	2.9
84.08148	1.5
85.02900	6.5
86.06041	1.6
86.09701	5.1
89.00781	0.9
90.01566	0.9
91.05447	1.0
94.06564	2.4
95.04935	3.2
95.06060	1.7
96.04469	1.8
96.05281	1.0
97.02901	7.2
97.07645	2.1
98.05988	1.4
98.97575	6.6
98.98444	1.9
100.03954	1.8
100.07603	1.0
101.00853	6.4
102.02203	1.0
104.10734	1.1
105.03352	1.3
106.03697	1.5
107.01285	1.8
107.04927	0.9
108.08069	1.5
109.02830	1.3
109.07621	1.4
110.06003	3.5
110.09668	1.0
111.04415	1.4
114.05510	1.1
116.98624	8.5
118.03505	2.3
118.06554	1.2
119.01913	100.0
120.02003	7.2
120.04392	1.2
120.08118	1.5
121.01598	2.5
121.07664	0.9
122.05987	1.2
123.04436	1.3
123.05497	1.0
123.06759	3.6
124.03908	1.5
124.04740	1.0
124.05910	1.1
124.07599	2.0
124.08607	1.2
125.00008	4.1
125.02339	2.7
125.07051	2.7
126.03116	1.9
126.05501	0.9
127.03939	1.5
127.04975	1.2
128.02338	3.9
128.98572	2.9
131.01855	3.4
132.02025	1.5
133.01662	4.8
133.03433	2.3
134.05945	1.2
134.99654	7.8
136.07582	9.9
137.02951	55.3
137.07047	1.0
137.08366	4.5
138.02995	3.3
138.05495	11.4
138.07274	1.0
138.09076	2.9
138.53429	0.9
138.98851	1.0
139.03860	1.8
141.96609	0.9
142.03482	15.1
143.00131	1.4
143.01846	2.4
143.03545	1.7
145.01622	1.4
145.03441	2.0
146.99626	4.3
148.03937	14.1
148.07581	7.8
149.01135	1.0
149.02989	1.0
151.02702	3.6
152.07007	3.2
153.00674	1.9
153.01784	4.2
154.08603	1.7
156.03209	3.3
157.03485	1.0
158.99620	1.1
160.04552	9.5
160.97621	0.9
161.01163	3.4
161.02917	9.6
161.04472	1.6
162.03044	1.1
163.02713	1.1
165.05153	0.9
166.04990	18.7
166.07207	1.4
166.08626	28.3
167.03333	1.5
173.02843	1.3
174.03070	1.2
174.99165	1.2
175.02681	0.9
177.00679	1.4
179.02228	2.5
179.03976	8.3
184.02589	1.9
184.04474	2.8
184.06036	4.9
184.07497	2.5
184.09642	42.7
184.13171	1.2
187.02605	1.0
189.00703	0.9
201.00659	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0605
Annotation	4-Pyridoxate
Peak:m/z	Relative Intensity
53.00333	0.3
53.03965	0.6
55.01899	0.4
55.05537	0.8
56.05053	0.7
56.96564	6.6
57.03461	1.0
59.06131	0.4
60.04543	0.3
61.02937	0.5
65.03939	2.9
67.05528	0.7
68.05045	0.9
69.03413	1.9
70.06618	1.2
70.33890	1.1
70.95901	0.3
72.08183	0.5
72.93805	0.5
73.02951	1.3
77.14568	0.3
79.05529	0.4
80.05027	0.5
81.03435	0.8
82.06609	1.2
82.27509	0.3
83.00806	0.5
83.04999	0.3
83.06124	0.7
84.04527	1.2
84.96069	0.5
85.02892	1.5
85.07676	0.3
86.06086	0.6
86.09730	1.3
90.94866	0.3
91.05499	0.4
92.01344	0.4
92.05001	3.0
94.06593	0.4
95.04978	1.6
96.04541	0.9
96.05328	0.9
96.09253	0.3
97.02889	2.2
97.06483	0.4
97.07665	0.4
98.01301	0.4
98.06059	0.5
98.97566	2.3
98.98432	0.6
99.04458	0.5
100.04024	0.4
101.00889	0.6
104.05017	0.4
104.10791	0.5
105.04496	0.4
106.03745	0.4
107.01284	0.7
107.04957	0.7
109.07671	0.9
110.06047	2.6
110.97645	0.3
112.00974	0.4
112.03983	0.3
113.07150	0.3
114.05550	0.4
116.98598	2.2
119.01894	8.2
120.04461	3.0
121.01614	0.6
121.06461	0.4
121.07784	0.3
122.02456	0.5
122.03649	0.3
123.04458	1.3
124.03959	0.8
124.04829	0.6
124.07597	0.4
124.08662	0.3
125.00018	0.8
125.02381	1.1
125.07092	0.5
126.01094	0.4
126.03182	0.7
127.03965	0.4
128.02364	1.4
128.98636	1.0
129.07010	0.4
130.02840	0.3
133.01559	0.7
133.02852	0.7
134.05986	0.8
134.99628	2.6
137.02943	5.0
137.05952	0.4
138.03067	0.4
138.05496	7.1
138.09164	0.5
139.03920	0.9
139.08708	0.3
141.04996	0.3
141.06601	0.3
142.03499	1.2
142.05031	0.4
143.00145	0.4
146.99654	1.6
147.04445	0.4
148.03923	87.1
149.04297	1.4
153.01859	0.8
154.02025	0.4
156.07626	0.3
160.04594	0.5
161.01187	1.1
161.02966	0.6
162.99196	0.5
165.00742	0.6
166.04991	100.0
167.05392	2.2
171.02888	0.4
177.00710	0.4
184.04393	0.7
184.06015	10.4
184.07336	0.7
184.09532	0.8
184.10922	0.7
197.01112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
55.01872	9.0
56.96554	3.3
57.03434	24.8
57.35498	1.0
58.03764	3.3
58.99864	2.2
60.99613	2.3
61.02928	10.1
63.12283	1.2
68.02618	1.4
69.03426	18.1
69.76696	5.6
70.03764	2.4
70.99853	1.2
71.01368	1.9
71.04974	2.3
73.02914	41.3
74.03245	4.6
75.04453	1.3
77.00900	3.4
78.00980	2.2
79.00663	1.9
81.03416	14.6
82.03754	2.3
84.04497	3.1
85.02903	25.5
86.03226	2.1
86.03681	10.2
86.09679	2.8
87.04015	2.1
88.01731	1.2
88.02656	1.2
88.52737	2.0
89.02554	1.7
90.49438	1.0
93.51925	1.8
96.01469	1.3
96.02000	1.8
97.01708	1.1
97.02294	2.0
97.02879	13.6
98.03192	2.6
98.97583	2.0
99.04458	5.3
101.00869	14.8
101.02479	1.4
102.00988	3.8
102.02350	1.7
102.52484	1.6
103.00642	5.1
103.02296	5.3
103.53316	1.2
105.00390	1.4
109.02896	6.5
109.53297	2.1
110.03218	1.5
111.02898	1.6
111.52994	4.2
112.02793	2.5
113.00922	1.3
115.00618	2.4
115.02386	4.2
115.03986	1.3
115.53248	1.5
116.16537	1.0
116.98604	2.6
117.02177	2.4
118.01156	2.5
119.01917	100.0
120.00910	1.4
120.01055	1.7
120.02001	18.2
121.01655	17.9
121.03283	2.1
121.53242	1.9
123.02935	1.5
123.52947	1.4
124.02628	1.0
125.00068	1.2
127.02435	1.4
127.03888	5.2
129.53029	1.3
130.02792	1.4
130.53741	1.6
131.01901	14.5
131.03618	1.7
132.01978	9.3
133.01627	8.5
133.03394	6.2
134.03508	2.6
134.99637	1.2
135.03229	2.1
137.02939	38.9
138.03065	5.3
138.53502	2.1
139.02629	2.5
139.54385	1.0
140.02515	1.5
142.03510	9.5
143.00156	2.1
143.01906	10.0
143.03609	2.3
144.01909	5.4
145.01596	5.3
145.03435	9.1
145.54384	1.6
146.02525	1.6
146.03523	7.7
147.01428	2.1
147.03127	5.9
147.54079	4.1
148.03888	2.1
149.02940	2.8
150.03015	1.7
151.02625	1.5
153.54062	1.7
154.03777	1.9
155.01917	3.9
155.83861	1.3
156.02063	4.1
156.54631	2.9
157.01668	4.5
157.03522	7.7
158.03587	8.8
159.03177	6.1
160.04561	4.7
161.01440	2.1
161.02954	22.7
162.03079	10.8
162.54709	1.6
163.02670	10.3
163.04585	1.9
164.04733	1.6
167.01878	1.3
168.02084	2.4
169.01541	1.4
170.03514	1.2
173.02963	9.3
174.03101	6.1
175.02721	8.2
175.04510	2.9
176.04733	2.5
177.00865	1.3
177.04247	2.5
179.02542	1.2
179.03983	6.3
184.04543	2.4
184.07411	1.4
185.02943	5.5
185.15239	1.2
186.03102	7.2
187.02711	8.8
195.85233	1.1
202.05586	1.8
203.03995	4.2
204.04205	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	183.0652
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
50.01582	0.7
50.31720	0.3
51.02376	1.0
53.03946	12.0
55.01871	3.8
55.05514	1.0
58.47590	0.3
59.06113	0.6
65.03938	4.8
67.05503	10.2
69.07050	0.4
69.75590	0.9
69.75999	1.7
71.04985	0.8
77.03937	1.1
79.05492	0.9
81.03412	1.7
81.07065	1.3
85.02887	0.9
85.06570	0.4
91.05462	0.7
93.03399	0.6
93.07047	1.8
94.04152	0.7
95.04966	100.0
95.08600	2.8
95.23793	0.4
96.05301	1.1
97.02895	0.9
98.21143	1.2
98.98474	3.7
99.04485	0.8
102.85053	0.5
105.03401	3.7
105.04504	5.9
105.07003	0.6
107.08593	0.7
109.06516	1.2
109.07652	0.6
109.10143	1.2
110.03668	0.6
111.04438	1.2
119.08592	1.0
121.03968	0.5
123.04427	63.7
123.08015	1.7
124.04792	1.0
124.08710	0.7
125.02351	5.3
125.07178	0.5
127.01608	0.6
127.07544	0.4
133.02817	0.5
137.02295	1.2
137.05984	1.0
137.09607	1.4
140.04680	28.8
141.05318	0.6
141.06972	0.4
155.07034	11.7
155.08405	0.8
165.01799	1.0
165.09131	0.9
168.09323	0.5
183.02858	1.0
183.06549	2.9
183.10161	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0289
Annotation	3,5-Dihydroxyphenylglyoxylate
Peak:m/z	Relative Intensity
53.03941	5.9
53.89816	0.7
55.01860	2.3
55.05499	2.0
56.05035	1.4
56.96545	2.8
57.03416	0.9
58.06596	0.9
59.06121	4.5
61.65919	0.7
62.53703	0.7
65.03922	2.4
67.01846	3.7
67.05505	6.6
68.05024	2.1
68.99770	3.4
69.03423	2.4
69.07066	1.5
70.06576	3.3
70.48164	2.7
71.04968	2.1
71.63862	0.8
71.71455	0.9
79.05489	2.1
80.05009	1.8
81.03416	6.8
81.04513	1.7
81.07056	3.9
82.06560	1.9
83.04980	2.4
83.06089	2.7
83.08614	1.0
85.02911	1.7
85.07666	1.3
86.06075	0.8
91.05467	3.6
93.07018	2.4
95.04372	1.5
95.04968	28.8
95.05983	1.4
95.08617	4.7
97.02882	2.3
97.06530	1.3
97.07637	2.9
98.06039	1.8
98.98463	24.5
99.04433	2.5
105.02714	1.5
105.03389	21.3
105.04507	2.1
105.07007	2.4
107.06049	0.8
107.08580	1.4
109.02876	5.3
109.06495	2.6
109.07609	5.9
109.10113	1.6
111.04421	1.8
111.09243	0.9
111.38244	1.0
116.98616	1.3
116.99459	1.3
118.03506	0.8
119.01888	4.4
119.04925	1.1
119.08547	2.0
121.02851	1.1
121.03944	0.9
121.06493	0.9
121.07545	1.4
122.03631	2.7
122.07132	1.7
123.04421	14.9
123.08054	3.5
124.08715	2.2
125.02314	2.0
125.07113	4.6
127.01575	3.6
127.03916	2.0
127.08596	1.1
133.02786	1.1
134.99693	1.9
137.02325	100.0
137.05901	4.6
137.07951	1.1
137.09579	3.5
138.02686	2.0
138.06613	1.1
139.03830	1.0
140.04689	7.8
140.08176	1.5
141.05441	1.2
142.03471	2.3
147.08105	0.9
148.08727	0.9
155.03346	0.8
155.04706	1.0
155.06999	3.5
155.08289	1.5
160.04594	2.0
165.01833	85.7
165.09135	1.9
166.02119	1.7
166.09793	2.1
168.04146	1.1
178.05591	0.9
183.02881	82.2
183.06441	7.1
183.08035	2.0
183.10159	1.0
183.12401	2.5
184.03362	1.9
189.40347	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1539
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
54.39055	1.6
55.05507	13.8
56.96561	3.9
57.07066	6.7
58.02959	43.8
67.05505	34.5
69.07067	80.1
69.88150	1.5
69.89980	1.8
69.98682	4.7
69.99075	3.7
70.06577	2.5
70.07406	2.1
79.05491	10.3
81.07053	29.8
83.04966	2.7
83.08611	9.1
84.08158	13.1
85.06518	1.8
86.06079	2.4
91.05470	8.5
93.07034	16.1
95.04953	7.8
95.08617	10.9
96.37267	1.9
97.06525	4.9
98.06060	4.1
98.09681	4.6
98.97572	3.2
98.98479	13.0
99.97908	2.4
100.07617	7.3
105.03375	4.6
105.07032	17.1
107.08592	26.4
109.06499	2.6
109.10157	60.7
112.07603	2.1
114.09167	16.6
116.98608	7.4
117.98969	3.1
121.10113	3.1
123.04451	4.3
123.11711	9.2
124.11223	2.3
126.09150	16.6
126.12749	2.1
133.10136	26.5
134.99663	7.7
135.11690	21.5
136.00000	2.4
137.13231	2.0
138.12784	33.9
140.14293	2.8
147.11699	4.1
147.67137	1.9
151.11125	9.6
153.12759	13.8
154.16011	2.2
160.04587	2.9
164.11491	3.9
164.14357	3.4
165.12762	3.2
182.15405	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03945	1.7
54.15999	0.7
55.01867	1.6
55.05494	2.8
56.96557	1.1
57.07071	23.1
59.04983	2.8
67.05486	3.0
69.03412	1.6
69.07066	3.7
69.45954	4.6
69.46359	1.6
71.04973	0.7
71.29908	0.7
79.05495	10.1
81.03419	5.8
81.07055	4.8
83.04976	50.5
84.05303	1.0
91.05469	5.4
93.07032	9.6
95.04958	18.0
95.08576	1.0
97.06523	27.8
98.97565	2.9
105.07028	7.9
107.04938	1.9
107.08584	15.2
109.06494	1.6
116.98605	4.1
117.06994	2.2
119.08567	5.1
120.61538	0.7
121.06477	3.1
121.10136	16.9
122.10400	0.7
123.08062	1.5
125.05987	60.8
126.06316	0.9
130.07782	2.6
134.99651	6.7
135.08051	1.7
135.11665	8.5
140.00073	0.8
143.08498	1.3
145.10098	12.7
153.00639	1.8
158.01250	1.9
163.11168	100.0
164.11507	3.2
166.07706	1.0
181.08708	0.9
181.12215	22.9
182.00993	0.8
182.12508	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.6
56.05039	0.6
56.96581	0.4
57.03411	0.4
58.02954	1.0
58.06595	1.0
59.06114	0.5
60.04517	0.4
60.50391	0.3
60.86746	0.3
65.03941	8.3
67.05502	100.0
68.05039	0.8
68.05834	1.2
69.03428	0.9
69.07067	11.8
69.54169	2.3
70.06588	0.4
79.05467	0.7
80.05035	0.6
81.03417	0.5
81.07038	1.0
82.06554	0.4
83.06086	0.5
84.04482	0.3
86.02434	2.6
86.06059	1.1
91.05473	0.7
93.05800	0.4
93.07043	0.6
94.06559	0.5
95.04964	92.4
96.05299	1.5
97.06528	0.3
98.06064	0.6
98.07175	0.4
98.21485	0.6
98.98444	1.0
99.75263	0.3
100.77465	0.3
105.03370	0.7
108.08105	1.2
109.06510	0.4
109.07637	0.5
111.04474	0.4
112.07548	0.4
113.05987	1.8
119.01899	0.5
119.04933	0.3
122.06053	0.6
122.07103	0.5
123.04407	1.5
123.05557	0.7
124.07623	0.4
125.07130	0.5
126.09200	0.4
136.07573	4.9
137.05975	0.7
140.08199	0.7
154.08633	5.9
164.04221	0.3
164.07022	1.0
164.08234	0.8
165.01826	0.5
167.06963	0.4
180.56058	0.6
182.00909	0.6
182.04559	0.4
182.08093	9.6
182.09554	0.7
182.18968	0.4
183.08481	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03936	4.6
55.01857	2.6
55.05508	27.1
56.96563	17.9
57.03440	1.4
57.07070	10.4
59.05005	1.1
61.98270	0.8
65.03925	3.8
67.05501	11.3
69.03427	2.8
69.07063	5.2
69.93842	3.8
69.94261	1.3
71.01360	1.1
71.04990	1.5
71.95262	2.6
78.04737	1.3
79.05493	11.4
81.03401	2.2
81.07059	11.9
82.04174	1.1
83.04974	17.8
83.08604	1.6
85.06530	2.5
88.60284	0.8
91.05478	20.4
91.32526	0.7
93.03413	1.5
93.07040	30.4
95.04955	13.3
95.08599	13.4
97.02877	1.3
97.06520	15.3
98.21412	1.0
98.97578	49.1
103.05473	6.0
105.04518	1.3
105.07014	8.4
106.04189	1.4
107.04940	3.2
107.08594	30.9
108.08901	1.1
109.06495	8.3
109.10160	3.6
110.03628	1.1
111.04434	54.7
111.08083	7.8
112.04781	1.2
113.05990	3.8
116.98614	78.6
117.07025	3.7
119.04926	1.3
119.06062	0.8
119.08586	3.9
121.06503	18.4
121.10130	8.4
122.07223	1.5
123.04413	1.1
123.08040	3.4
125.05990	40.8
125.09503	1.1
130.07768	3.7
134.03619	1.2
134.99651	100.0
135.08052	17.7
135.11687	21.7
135.99979	1.1
137.05943	3.3
137.09587	1.3
138.06747	3.7
139.07521	3.1
140.00188	4.1
145.10129	15.6
148.05241	1.2
149.05975	6.2
153.00711	26.1
153.09105	1.4
153.12747	2.8
158.01251	12.3
163.03917	1.2
163.07587	1.5
163.11171	25.3
164.11557	1.2
166.02458	0.8
166.07668	1.1
167.06999	1.1
176.02301	2.6
181.01448	1.8
181.02893	0.9
181.04915	5.0
181.06380	1.7
181.08601	3.8
181.12225	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.72609	0.8
53.03937	1.3
53.32278	0.8
54.20568	0.8
55.01861	2.5
55.05498	2.8
56.96561	9.0
57.03415	1.3
57.07059	3.0
59.05011	6.1
67.05491	4.3
69.03412	1.8
69.07054	5.7
70.24330	2.0
70.24709	3.6
73.02930	1.5
79.05489	10.3
79.40024	0.8
81.03403	1.7
81.07054	10.0
83.04971	4.3
85.02923	0.9
87.04379	0.9
91.05482	8.1
93.07041	35.1
95.04971	4.8
95.08607	20.3
97.06504	4.9
98.20881	1.2
98.97581	35.5
103.05453	3.1
105.07019	4.5
107.04939	2.7
107.08594	47.3
108.08892	1.2
109.06545	1.3
109.10147	3.2
111.04446	3.0
111.08080	1.7
116.98618	41.1
116.99453	2.2
117.07033	1.8
119.08553	5.7
121.06506	12.5
121.10139	26.5
123.08057	6.4
125.05979	8.8
130.07751	1.4
132.42056	1.1
134.99654	40.3
135.04402	1.4
135.08083	1.6
135.11687	56.7
136.12022	1.2
137.05965	1.1
137.09589	1.5
137.13248	2.4
139.07532	12.2
140.00197	2.1
140.38356	1.1
145.10121	12.3
149.05966	4.1
153.00694	7.9
153.12752	2.8
158.01227	5.2
163.11174	44.9
164.11552	1.8
181.04941	1.8
181.12227	100.0
182.12564	2.7
190.61794	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
52.43097	0.9
53.03945	1.6
55.01878	2.6
55.05502	3.1
55.31581	1.0
56.96554	1.5
57.07074	24.8
59.04986	3.3
66.04722	1.0
66.70527	1.0
67.05496	3.7
69.03416	2.0
69.07063	4.0
69.23795	7.8
69.24222	4.3
71.04996	1.5
79.05495	10.7
81.03413	7.7
81.07059	5.1
83.04981	59.1
84.05284	1.1
91.05473	4.8
93.07028	10.6
95.04966	19.2
95.08553	1.9
97.06528	28.9
98.97583	5.6
103.05358	1.1
105.07014	7.4
107.04954	2.0
107.08582	15.7
109.06546	1.1
116.98608	7.9
117.07011	2.5
119.08564	4.2
121.06512	4.4
121.10144	19.8
125.05990	70.1
126.06300	1.6
128.37210	1.0
130.07794	2.4
134.99637	9.7
135.08080	1.2
135.11667	6.0
145.10109	14.0
153.00720	2.4
158.01202	1.9
163.11176	100.0
164.11549	4.2
166.07808	2.3
169.26411	1.0
181.10425	2.0
181.12213	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	181.1223
Annotation	1,1,5-Trimethyl-2-formyl-4-methoxy-[2,5]-cyclohexadiene
Peak:m/z	Relative Intensity
51.02372	2.0
53.03946	13.1
55.01872	10.8
55.05508	20.4
56.96557	16.9
57.03419	4.0
57.07069	3.8
59.04998	4.9
59.48564	1.9
62.94060	2.0
65.03943	13.9
67.05500	36.7
69.03422	7.0
69.07063	22.4
69.55124	5.9
69.55552	9.8
69.58113	1.6
71.04991	23.4
71.27244	1.8
71.95255	3.7
75.04481	2.4
78.04697	3.5
79.05489	73.8
81.03413	11.1
81.07054	36.0
82.04194	2.1
83.04974	16.7
83.08607	6.5
85.02885	8.3
85.06551	10.3
90.42042	1.8
91.04900	4.0
91.05476	86.5
93.03385	7.4
93.07040	87.8
94.07370	2.8
95.04959	41.4
95.08605	15.9
97.02856	4.0
97.06525	63.6
97.10172	1.9
98.97575	48.7
103.05456	22.8
105.04516	3.5
105.07021	33.9
106.04166	4.3
107.04948	14.9
107.08585	31.1
109.06512	27.1
109.10143	5.4
110.07274	3.2
111.04411	14.7
111.08078	13.9
113.05978	6.6
114.22512	1.7
115.05419	3.2
116.06239	7.0
116.46723	1.8
116.98613	70.5
117.06989	5.3
119.04929	5.4
119.08560	7.7
121.06496	100.0
121.10131	48.1
122.03635	2.4
122.07238	6.0
123.04425	2.8
123.05509	1.8
123.08083	21.5
123.11658	2.5
124.05208	2.2
125.02324	2.6
125.06001	30.4
129.06992	6.0
131.08566	39.3
134.99651	93.0
135.04384	7.7
135.08049	22.3
135.10828	2.0
135.11668	10.8
136.05228	3.0
136.08690	2.2
137.05965	16.7
137.09604	10.7
138.06677	3.0
139.03831	2.0
139.07515	6.5
140.00183	4.1
140.08214	2.3
145.10129	5.7
149.05981	19.3
149.09595	14.8
151.11131	1.9
153.00717	25.7
153.07019	3.3
153.09166	4.1
153.12712	10.3
158.01286	11.3
163.03886	8.7
163.07559	4.6
163.11180	46.6
163.14873	2.6
165.07108	1.9
166.06383	4.2
166.07733	8.0
171.06595	2.8
176.02319	2.0
181.01332	3.0
181.04927	12.5
181.06543	6.4
181.08737	20.1
181.10185	5.6
181.12221	83.0
181.15764	3.8
182.12567	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.02406	0.7
53.03941	5.1
55.01865	6.3
55.05512	7.5
56.96317	0.5
56.96578	2.3
57.03442	1.9
57.07075	19.5
59.05009	2.4
59.06120	1.0
62.81744	0.5
63.02385	0.7
65.03925	3.0
66.37216	0.5
67.05500	4.6
68.05029	0.8
69.03435	3.8
69.07077	6.0
69.87482	2.8
69.87886	1.1
71.01341	0.5
71.04988	3.3
73.02916	13.6
75.04523	1.0
77.03934	1.1
78.04716	1.0
79.05488	13.8
81.03419	8.1
81.07059	8.3
82.06548	0.6
83.04980	46.8
83.08616	8.7
84.05296	0.8
85.02920	1.6
85.06581	0.8
86.06118	0.6
87.20000	0.6
89.03931	0.7
91.05479	20.4
92.02633	1.9
92.05778	0.8
92.06313	0.7
93.03413	2.1
93.07039	23.4
93.07626	1.2
94.04182	1.1
95.04967	28.0
95.08607	2.7
96.05322	0.7
97.02884	3.0
97.06527	26.8
98.97570	5.5
99.04478	1.5
99.05576	0.7
103.05460	7.6
105.04526	1.7
105.07026	10.0
106.04183	2.3
107.04974	4.9
107.08591	17.9
108.08920	1.1
109.06516	11.2
109.10133	0.7
110.42918	0.6
110.87858	0.6
111.04443	2.1
111.08064	1.2
116.98602	6.6
117.07018	3.5
119.04929	5.5
119.08578	6.8
121.06501	20.7
121.10136	25.1
122.03632	1.8
122.07063	0.9
123.04424	1.7
123.05583	1.2
123.08065	3.6
124.07505	0.7
125.05989	60.0
126.06355	1.5
129.07054	0.8
130.07779	2.7
131.04927	1.1
133.06499	3.4
134.99663	8.1
135.04413	100.0
135.08026	7.4
135.11691	10.2
136.04843	2.3
136.07503	0.7
136.08620	0.8
137.05969	16.9
137.09616	1.1
138.06755	1.1
139.07533	1.9
139.09863	1.0
139.11160	1.1
140.08214	1.2
145.10120	14.6
148.05197	1.1
148.08795	0.8
149.02274	0.7
149.05969	7.7
151.07553	1.8
153.00708	1.9
153.09135	1.5
158.01244	1.0
163.03860	2.4
163.07545	14.1
163.11172	88.3
164.07996	0.7
164.11522	2.7
166.06287	1.1
166.07704	0.8
167.07071	1.2
181.01292	1.9
181.04953	4.0
181.06351	1.1
181.08633	6.5
181.12218	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.84016	0.9
51.02382	1.1
53.03928	5.6
55.01867	11.1
55.05507	9.6
56.96545	3.8
57.03423	2.7
57.07058	3.2
59.04981	3.3
65.03926	7.5
67.05500	18.6
68.05002	1.3
69.03424	21.9
69.07063	11.0
71.04992	4.8
71.57879	1.3
72.09750	1.0
75.04503	1.1
77.03911	2.8
78.04686	2.2
79.05487	39.8
79.14316	1.0
81.03403	4.0
81.07053	15.0
82.04182	1.2
83.04977	10.4
83.06082	1.6
83.08603	3.7
85.02889	1.8
85.06538	2.5
89.03910	1.8
90.99351	1.0
91.05475	62.6
92.05779	1.1
93.03388	1.8
93.07037	100.0
94.04173	1.3
94.07349	3.2
95.04364	1.9
95.04961	27.2
95.08595	20.5
97.02887	4.4
97.06527	17.6
98.97589	6.4
103.05459	21.4
105.04511	2.9
105.07018	24.0
106.04128	5.0
107.04948	19.4
107.08585	57.2
108.08952	1.8
109.06517	10.1
109.10149	7.8
110.03658	1.8
111.04456	4.6
111.08077	17.6
115.05415	5.3
116.98611	9.5
117.03344	1.5
117.07008	17.6
119.04942	6.4
119.06068	0.9
119.08559	12.3
121.06497	54.8
121.10136	39.6
121.11026	1.8
122.03667	2.3
122.07323	6.4
122.10438	1.5
123.04408	3.1
123.08086	6.4
123.08819	1.1
124.05216	1.9
124.08669	1.0
125.02339	2.2
125.05987	5.5
125.09645	6.1
130.07768	8.8
131.04941	2.2
133.02811	1.4
133.06497	2.2
134.03641	1.3
134.99658	12.1
135.04419	5.5
135.08041	38.5
135.11681	22.6
136.05161	1.2
136.07568	2.6
136.08572	1.3
137.05971	21.8
137.09608	20.7
138.06734	2.8
139.07541	10.5
139.11160	2.4
140.08134	1.2
143.08490	1.3
145.02872	1.2
145.06380	1.6
145.10115	45.4
146.10468	2.7
147.04387	1.9
148.05161	2.9
149.02333	1.9
149.05974	22.9
150.06436	1.3
151.03926	2.5
151.07510	3.2
152.06097	1.3
153.00717	3.3
153.05464	1.1
153.07028	2.4
153.09091	8.2
153.12740	1.3
158.01295	1.3
163.03957	6.6
163.07536	48.4
163.11163	46.3
163.14792	1.1
164.08302	6.3
164.11562	1.5
165.06979	1.6
166.06308	4.7
166.07613	1.4
167.06992	1.6
171.06552	1.7
181.01328	3.9
181.05099	10.0
181.06541	3.9
181.08594	46.6
181.10144	1.7
181.12166	11.0
181.15829	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0858
Annotation	80638-48-8
Peak:m/z	Relative Intensity
53.03926	1.3
55.01858	1.7
55.05495	1.8
56.96544	0.6
57.03440	0.7
65.03924	1.9
67.05502	2.4
68.05012	0.5
68.99781	0.9
69.03429	1.1
71.02483	1.0
71.02837	0.7
71.04981	0.6
77.03909	0.7
78.04709	2.4
79.05482	5.8
80.06276	0.6
81.03394	1.8
81.07035	1.9
83.04964	0.8
83.08613	1.6
85.02874	0.5
89.03899	2.2
89.33687	0.4
90.04687	1.2
91.05473	15.2
92.06260	1.0
93.03398	1.7
93.07035	6.4
94.04169	0.7
95.04961	8.8
95.05968	0.7
95.08587	1.3
97.02886	1.7
97.06522	1.6
98.97569	1.6
103.05439	2.8
105.03378	1.3
105.04501	0.6
105.07009	1.4
106.04150	2.3
107.04951	7.3
107.08588	2.9
108.05713	1.6
109.06495	4.4
109.07643	0.5
109.10130	0.5
110.07229	0.6
111.04430	1.6
115.05416	0.7
116.98609	1.7
117.03368	0.5
117.07024	0.9
118.04146	0.8
119.04930	1.3
119.08505	0.5
120.05730	2.0
121.02876	0.7
121.06504	9.8
121.10110	3.2
122.03615	1.7
122.07153	0.5
123.00800	0.5
123.04420	5.3
123.08049	1.6
125.05956	1.7
134.03627	0.4
134.99658	1.6
135.04431	2.7
135.08054	2.1
135.11650	1.1
136.05153	2.3
137.02304	0.6
137.05974	17.9
137.09573	0.6
138.06752	6.7
139.07523	0.8
139.09796	0.5
145.10129	0.9
148.05182	48.5
149.06009	5.2
150.03038	0.4
151.03897	6.0
151.07497	1.0
153.09076	1.0
163.03894	1.6
163.07542	1.1
163.11163	1.8
165.05473	1.9
166.06219	3.6
166.07605	0.8
167.03401	1.1
181.01326	1.0
181.05334	2.2
181.08582	100.0
182.08923	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0857
Annotation	80638-48-8
Peak:m/z	Relative Intensity
51.02372	2.5
51.03070	1.4
52.22027	1.6
53.03941	13.2
55.01870	14.6
55.05501	7.6
56.96554	4.3
57.03420	6.6
57.07062	1.8
65.03934	10.4
67.05495	11.6
68.04998	1.8
69.03408	5.9
69.07054	6.4
71.03330	1.4
71.04991	4.7
75.04458	2.4
77.03903	2.4
78.04700	4.0
79.03658	1.4
79.05490	29.4
81.03397	6.8
81.07043	8.1
83.04960	7.1
84.44572	1.7
85.02898	2.5
89.03925	2.2
91.05476	89.1
93.03403	5.9
93.07039	73.7
94.04163	3.7
95.04966	37.0
95.08593	9.3
97.02875	6.0
97.06536	11.1
97.07620	2.4
98.20790	4.6
98.97584	9.7
99.05564	1.9
103.05460	72.6
105.04514	4.2
105.07037	15.0
106.04156	7.0
107.04949	97.2
107.08580	20.8
109.02838	2.7
109.06510	4.5
109.10122	1.8
110.03635	2.0
110.48403	1.6
111.04420	5.6
111.08055	10.4
111.28252	1.6
115.05440	3.8
116.98612	15.0
117.03407	1.9
117.06992	7.9
119.04926	16.9
119.08583	3.1
120.05686	3.0
121.02869	2.8
121.06497	100.0
121.10125	21.4
122.03627	10.2
122.07149	2.6
123.04418	7.9
123.08064	8.5
124.05211	2.3
125.02319	3.0
125.05978	7.1
125.09647	4.0
131.04909	13.9
131.05902	3.2
134.03651	2.5
134.99638	16.5
135.04393	10.7
135.08043	43.1
135.11652	6.7
136.05157	3.3
136.07521	2.3
137.05969	96.9
138.06628	3.9
139.03917	3.1
139.07527	7.3
139.11160	2.3
140.08182	4.2
145.06476	2.0
145.10123	3.9
147.04362	3.1
148.05197	15.9
149.05981	91.8
151.07536	9.1
152.06122	2.4
153.00673	5.2
153.05453	3.4
153.07060	2.8
153.09128	5.9
163.03882	9.6
163.06282	2.9
163.07544	35.6
163.11145	12.6
164.08116	2.9
165.06956	2.4
166.06221	4.5
166.07716	4.5
172.98956	1.8
181.01288	6.5
181.05034	10.4
181.06477	4.4
181.08626	35.4
181.10085	3.1
181.11053	2.1
181.12228	7.6
181.15880	3.9
185.32655	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03946	1.1
54.46877	0.5
55.05501	1.2
56.05045	0.6
56.96558	1.6
59.06121	0.5
63.02378	0.4
65.03931	1.3
67.05489	0.8
68.05016	0.7
69.03442	1.0
69.07053	0.8
69.42876	0.4
70.06555	0.6
71.01563	0.8
71.04952	0.6
72.04533	0.4
78.61400	0.5
79.05490	5.3
80.05782	0.4
81.03391	0.6
81.07046	1.0
81.18211	0.4
83.04969	1.1
83.06095	1.8
89.03913	22.3
90.04231	0.7
91.05482	4.0
91.68672	0.5
93.07027	1.5
95.04951	1.9
95.06100	0.8
95.08616	0.6
97.02869	0.8
97.06506	0.5
97.07665	0.8
98.97574	1.6
99.05575	0.5
105.04509	0.6
107.04958	7.3
107.08595	1.2
108.70159	0.5
109.07612	1.0
111.04424	2.5
111.08070	0.5
115.05515	0.6
116.98621	2.4
117.03377	20.1
118.03709	0.4
119.04919	2.0
119.35943	0.5
121.06506	0.9
121.10104	1.2
122.07173	0.8
125.07092	0.7
125.09567	0.6
131.78415	0.4
134.99728	2.3
135.04413	46.0
135.08043	1.3
135.11633	0.7
136.04788	1.4
136.07619	0.5
136.08682	0.8
137.05980	5.1
139.03873	2.5
140.08128	0.4
145.02843	26.9
146.03200	0.7
149.05930	0.5
151.07535	0.8
151.41087	0.5
153.00829	0.5
153.05498	0.5
153.09015	0.6
154.09818	0.7
163.03899	100.0
163.11168	1.1
164.04216	2.3
164.06982	0.7
164.08228	0.6
168.00819	0.5
181.01219	0.9
181.04918	1.3
181.06384	0.7
181.08553	0.9
181.10800	1.7
181.12248	1.0
182.04388	0.5
186.05522	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
51.02371	0.6
53.03944	2.9
55.01879	2.4
55.05510	1.6
55.55178	0.4
56.05039	0.6
56.70641	0.4
56.96573	1.5
57.03430	1.0
57.07072	0.8
59.06112	0.5
64.61583	0.4
65.03937	6.7
67.05504	3.4
68.05015	1.0
69.03425	2.5
69.07059	1.6
69.65569	3.4
70.06558	0.6
71.04988	1.1
74.03062	0.4
77.03920	0.7
79.01866	0.5
79.05490	9.2
80.05003	0.6
81.03408	2.3
81.07061	2.6
83.04986	2.7
83.06098	0.6
83.08616	0.8
85.02884	0.8
89.03905	0.6
91.05479	12.3
92.02607	0.5
93.03394	2.6
93.07043	13.1
93.07635	0.8
95.04962	10.1
95.06093	0.6
95.08583	2.1
97.02892	2.0
97.06538	3.1
97.07644	0.9
98.21419	0.9
98.97581	3.5
99.05578	0.5
99.09296	0.5
103.05475	5.5
105.03368	1.4
105.04494	1.7
105.07031	3.6
106.04136	0.6
106.07394	0.5
107.04951	6.2
107.08587	7.0
108.02102	0.5
109.06504	1.9
109.07662	0.6
109.10162	1.6
110.03646	0.6
111.04435	3.5
111.08084	2.2
115.05458	1.2
116.98615	5.7
117.03363	0.7
117.07017	2.7
119.04910	2.1
119.08570	1.7
120.05701	0.6
121.02868	11.8
121.03960	1.5
121.06501	11.2
121.10132	8.1
122.03573	0.5
122.07171	1.6
123.04418	1.3
123.05515	0.5
123.08047	1.8
124.05190	0.7
125.02367	1.0
125.05978	1.8
125.09602	0.8
127.07556	0.5
130.07822	0.6
131.04921	0.7
133.02852	9.0
134.03572	0.5
134.99664	8.7
135.04416	9.7
135.08028	6.9
135.11679	2.9
136.07588	0.7
136.08574	0.6
137.05983	9.0
137.07051	0.5
137.09637	1.3
138.03113	1.0
138.06725	0.9
139.03885	1.0
139.07526	1.2
139.09737	0.7
139.11179	0.8
140.08170	1.6
145.10115	3.0
148.05188	1.1
149.02338	100.0
149.05943	6.1
150.02681	2.6
151.03902	0.5
151.07588	0.6
152.06194	0.9
153.00708	2.2
153.05547	1.0
153.06970	1.6
153.09091	1.2
153.12703	0.5
154.75912	0.4
158.01242	1.0
163.03900	69.8
163.07509	3.7
163.11165	4.9
163.14792	0.5
164.04250	2.6
164.08292	0.7
166.02618	0.6
166.06300	0.9
166.07552	0.5
167.03430	3.5
171.06523	0.5
181.01340	2.9
181.04930	4.5
181.06502	1.6
181.08649	8.0
181.10359	0.8
181.10904	0.8
181.12146	3.6
182.00999	0.5
199.64813	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.9907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54269	0.3
56.96560	3.0
58.99878	0.4
70.81755	0.9
98.97587	2.6
100.02467	0.4
102.02076	0.3
116.98615	3.0
118.03525	0.5
119.01923	2.6
120.02003	0.6
120.95396	0.9
131.01924	0.6
131.05638	0.5
134.99649	2.0
137.02943	1.0
138.96361	4.0
146.99712	0.4
149.06596	0.5
151.01619	0.3
153.00745	0.5
154.25136	0.3
156.97473	70.9
157.03464	1.0
157.97614	1.4
161.98016	1.0
169.89090	0.4
174.98531	100.0
175.98602	2.0
176.98933	0.4
179.99068	34.8
180.99173	1.4
198.00125	37.0
198.98483	1.2
199.00276	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03948	5.2
55.01870	11.4
55.05508	26.5
56.96556	5.2
57.03433	12.0
57.07072	6.8
59.04980	3.2
65.03950	2.9
66.50887	2.0
67.03498	1.8
67.05505	73.6
69.03436	7.8
69.07063	37.3
69.93416	8.2
71.04987	7.5
79.05487	38.1
81.03401	5.3
81.06580	4.1
81.07055	73.7
83.04984	8.0
83.08609	5.3
85.30057	1.8
91.05475	33.4
93.07040	33.6
95.04967	29.8
95.08604	100.0
97.06500	2.5
98.21446	2.1
98.98508	2.3
103.05450	3.0
105.03385	3.5
105.07026	38.7
105.07686	3.1
107.04992	3.9
107.08594	21.1
107.83600	1.8
109.06516	21.2
109.10155	39.6
111.08053	5.3
117.03354	2.0
117.07019	4.5
119.04937	13.7
119.08579	38.3
119.09446	2.4
121.06516	3.3
121.10160	11.9
123.04418	14.8
123.08067	36.8
123.11689	3.8
133.02837	9.0
133.06511	9.4
133.10139	18.9
135.04414	2.8
135.11711	8.6
136.05174	2.5
137.05991	4.5
137.09604	20.5
137.13269	3.2
146.03679	3.3
147.04408	21.1
147.67641	1.8
151.03893	3.9
151.11174	4.0
151.14851	4.8
157.36440	1.9
161.05907	12.4
161.09602	2.6
161.13257	16.9
179.03363	31.6
179.07150	10.8
179.10675	11.6
179.14310	53.5
180.06596	3.9
180.14629	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	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03933	3.3
55.01856	5.2
55.05264	1.8
55.05507	20.4
57.03424	4.6
57.07072	5.4
65.03920	4.1
67.05502	88.5
69.03424	7.9
69.07062	14.3
69.57502	5.7
69.57928	3.0
71.04981	4.9
75.17374	1.1
79.05061	2.0
79.05490	25.7
81.03429	5.5
81.07050	62.0
83.04967	4.4
83.08595	3.7
85.10182	2.3
91.05478	19.3
93.07040	27.5
94.74192	1.0
95.04970	22.3
95.08604	100.0
96.08904	2.2
97.06516	3.1
103.05462	2.2
103.74657	1.1
105.07022	16.3
107.04926	1.7
107.08590	15.0
107.65064	1.3
109.06506	12.1
109.10155	51.9
109.48471	1.3
110.10489	2.0
111.08080	2.3
117.07026	2.1
119.04947	5.4
119.08575	20.3
121.06461	2.0
121.10117	4.8
123.04413	4.2
123.08060	19.4
123.11687	1.9
131.08580	1.3
133.02827	3.8
133.06528	2.0
133.10121	9.5
135.11661	7.0
136.05119	1.6
137.09618	21.4
137.13202	1.7
147.04408	5.4
151.11136	1.3
151.14784	10.0
151.97876	1.1
161.05981	2.4
161.13274	7.3
179.03352	10.2
179.06921	3.8
179.08551	1.8
179.10693	1.8
179.14305	48.9
180.14601	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.95757	2.0
53.03935	4.9
55.01856	8.6
55.05508	27.0
57.03428	22.2
57.07050	3.8
57.70550	1.8
59.04987	5.5
59.39272	1.9
65.03922	4.9
67.05502	31.0
68.05012	2.3
69.03412	8.8
69.07066	22.4
71.04990	5.4
71.08621	2.0
71.57296	3.2
72.41342	1.8
77.03913	6.2
79.05056	3.5
79.05489	39.5
81.03392	4.9
81.04523	2.9
81.07055	68.7
83.05000	12.2
83.06078	2.9
83.08606	9.3
85.06532	8.9
86.86395	2.4
89.03902	6.0
91.05477	52.2
93.07041	71.9
94.07333	2.0
95.04971	25.5
95.06051	8.0
95.08606	69.3
97.06545	9.7
99.08089	3.3
103.05518	3.0
105.03390	14.8
105.07027	62.6
107.04928	4.0
107.07868	3.9
107.08595	76.7
108.05689	2.5
109.06519	92.8
109.10156	23.5
110.06847	2.7
111.08073	3.1
111.99702	1.9
115.05441	5.5
117.06972	3.9
119.04940	39.3
119.07795	4.0
119.08575	51.8
121.06488	7.2
121.10144	72.8
123.04427	23.1
123.08068	57.2
123.11684	8.2
124.07581	2.2
125.09625	25.2
131.08571	3.9
133.02847	26.9
133.06490	14.1
133.10126	74.9
135.04440	3.7
135.08034	3.8
135.11690	30.3
137.05997	10.3
137.08218	7.5
137.09633	13.5
137.13260	7.8
137.75493	2.3
143.04927	2.5
146.03639	2.5
147.03375	3.7
147.04422	39.1
151.03888	28.8
151.07506	6.2
151.11172	8.5
154.02130	2.5
158.64052	2.0
161.02290	2.3
161.05954	17.4
161.08183	2.2
161.09639	12.2
161.13257	75.9
162.13530	2.5
163.07492	2.8
179.03395	65.8
179.06915	16.3
179.09293	3.1
179.10713	29.9
179.14299	100.0
180.03883	2.9
180.06520	2.4
180.14658	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	179.1066
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
52.65881	0.7
52.79431	0.8
53.03936	1.9
55.01860	2.1
55.05513	3.8
55.48146	0.7
56.98610	0.7
59.04996	5.2
65.03930	2.8
67.05505	5.7
69.03403	1.9
69.07087	1.3
70.22186	3.7
71.67024	1.0
79.05495	8.7
81.07045	8.9
83.32460	0.8
89.03931	1.1
91.05478	32.5
92.05775	1.3
93.07040	27.8
95.04971	7.4
95.06084	1.3
95.08588	4.3
97.06543	1.0
98.20877	1.2
103.05462	1.6
105.04507	0.8
105.07027	52.5
106.07349	1.2
107.04958	1.5
107.08590	52.1
108.08941	1.3
109.06499	6.2
109.10155	5.6
115.05463	2.4
117.06989	2.5
118.07787	1.7
119.04924	9.0
119.08575	12.4
121.06503	7.8
121.10158	1.0
123.04420	4.4
123.08027	2.1
123.11682	4.1
128.06252	0.9
128.46001	0.8
131.08549	5.2
133.06505	5.7
133.10124	100.0
134.10451	3.1
135.07979	1.5
135.11679	3.4
136.05234	0.9
137.05981	5.4
137.08244	1.8
137.09561	3.7
138.64745	0.7
143.04913	1.0
143.08553	2.7
146.07269	3.4
147.04430	6.2
151.03831	1.7
151.07501	2.6
151.11136	4.8
161.05980	4.8
161.09613	33.4
162.09991	1.2
179.03394	5.6
179.07283	4.8
179.10666	90.4
179.34967	0.8
180.11009	2.4
180.13898	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0701
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
50.52468	0.9
51.13120	0.9
53.03941	3.7
55.01866	10.6
55.05502	3.2
57.07066	1.2
65.03944	5.8
67.05499	15.2
67.11314	0.9
68.05029	1.5
68.99794	3.6
69.03423	3.2
69.07086	1.1
70.70892	1.8
70.71275	1.7
73.04869	1.0
77.03920	1.3
79.05496	17.5
81.03416	3.7
81.04542	1.4
81.07048	10.8
83.04983	2.6
83.06110	1.6
85.02904	1.5
89.03916	2.5
89.82784	0.9
91.05476	39.1
93.07038	8.4
93.28473	0.9
95.04966	25.0
95.06090	3.2
95.08616	9.9
97.06497	1.2
103.05477	6.7
105.03396	3.4
105.04470	1.2
105.07027	28.8
105.07684	1.9
106.06577	1.2
107.04964	3.6
107.08611	6.0
108.05735	3.7
109.02869	3.3
109.06506	6.6
109.10140	2.5
110.03658	6.6
110.07194	1.7
111.04443	3.2
115.05474	2.4
117.07004	1.9
118.04168	3.1
119.04939	43.0
119.08549	6.4
120.05527	1.1
121.02876	3.0
121.03948	1.5
121.06506	4.8
121.10133	2.4
121.71397	1.0
122.07076	1.0
123.04425	100.0
123.08051	13.4
123.11720	1.9
124.04772	3.5
128.66315	0.9
133.02866	4.4
133.06485	14.2
133.10109	10.3
134.07063	1.0
135.04379	2.0
135.08090	2.4
136.05188	6.3
136.08786	1.6
137.05962	8.3
137.08183	7.4
137.09686	2.3
138.06689	1.3
146.03596	2.1
147.04408	39.8
148.04843	1.1
149.05980	1.4
150.06738	1.2
151.03931	7.9
151.07538	44.0
151.11238	3.0
152.06866	1.5
152.08020	1.8
161.05984	13.0
161.07104	2.2
161.08376	1.2
161.09561	5.0
161.13264	2.6
164.04596	1.8
165.05479	1.2
179.03419	17.0
179.07053	51.8
179.09267	2.3
179.10539	10.3
179.14346	3.7
180.07443	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0701
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
51.93051	0.8
53.03937	2.4
53.40115	0.8
55.01868	15.9
55.05507	3.5
55.87991	0.9
56.05027	1.2
56.96576	1.3
57.03435	2.7
57.07071	1.0
58.43349	0.8
63.00202	0.9
65.03933	7.3
67.05503	15.0
68.05032	3.0
68.99797	3.5
69.03443	3.1
69.04522	1.5
69.07065	2.5
71.05002	2.1
71.49768	1.8
74.23562	1.0
76.39098	0.9
77.03945	2.8
79.05489	15.6
79.05907	1.4
80.06274	1.2
81.03440	3.1
81.07051	16.1
81.57901	1.2
83.04978	3.9
83.06107	2.2
85.02908	1.5
89.03935	2.0
89.82080	1.0
91.05473	56.2
92.05807	1.2
93.03411	1.3
93.07027	11.8
94.06589	1.1
95.04963	26.7
95.06084	6.0
95.08601	12.6
97.02909	1.9
97.04037	1.3
97.06571	1.2
103.05472	5.9
105.03416	3.6
105.04495	1.5
105.07026	35.2
107.04956	6.2
107.08579	6.9
108.04503	1.4
108.05724	6.1
109.02872	5.5
109.06516	9.5
109.10165	5.9
110.03648	4.9
110.07153	1.4
111.04443	3.9
111.08083	2.0
115.05473	4.4
117.03388	2.1
117.07040	2.2
118.04192	2.8
119.04933	43.4
119.08567	9.7
120.05647	1.2
121.02888	3.9
121.04008	1.6
121.06511	8.7
121.10192	4.2
123.04420	100.0
123.08040	13.5
123.11723	2.2
125.06033	2.5
131.08594	1.6
133.02840	8.5
133.06482	16.1
133.10130	14.5
134.07140	1.8
135.04417	4.3
135.05424	0.9
135.08086	1.9
135.11693	3.3
136.02159	1.2
136.05182	10.6
136.08739	2.0
137.05963	16.1
137.08186	6.8
137.09631	6.3
138.05777	0.9
138.06747	4.2
138.10355	1.4
139.07500	1.2
143.08586	1.2
146.03651	4.4
147.03242	2.2
147.04407	45.7
147.08046	2.1
148.04826	1.5
149.05962	3.1
151.03909	8.3
151.07535	55.0
151.11206	3.7
152.08069	1.6
161.05981	17.2
161.07011	1.3
161.08366	2.0
161.09569	5.8
161.13304	4.0
162.06680	1.4
163.07585	2.2
164.04739	2.9
164.08336	3.5
165.09241	1.2
179.03392	26.1
179.07065	57.9
179.09164	1.9
179.10600	21.9
179.12926	2.0
179.14249	8.7
180.07779	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47359	2.1
52.20299	1.8
55.01862	2.2
55.93147	1.8
56.96565	51.9
57.07069	2.1
58.99850	2.4
60.04517	7.3
60.95841	3.4
62.62346	1.6
69.82616	9.7
79.05477	2.3
89.39378	2.0
91.05457	4.7
95.06084	4.8
98.97594	22.1
100.02483	14.8
101.00863	5.6
103.02390	1.9
105.06990	1.8
106.00348	4.1
107.00125	2.4
113.00797	2.3
115.02426	3.5
116.98620	22.1
118.00292	2.3
118.03539	9.8
119.01139	1.6
119.01909	40.8
120.02029	4.5
120.97920	2.6
121.01638	8.1
131.01881	6.5
133.01665	5.0
133.03450	15.4
134.02979	4.1
134.99631	14.8
137.02957	16.9
137.08231	12.0
138.96408	4.5
139.02650	2.7
141.01460	4.3
142.00435	6.5
142.03557	3.3
143.00139	9.2
144.02672	4.8
145.01692	2.3
145.03464	4.8
146.03625	3.9
146.99588	2.6
147.03204	13.4
147.04286	3.9
151.04504	7.2
153.00533	4.0
153.01614	2.4
154.94142	3.8
155.99727	3.0
156.00948	2.5
156.05026	6.2
156.97467	68.4
157.03535	4.6
157.26558	2.5
161.01309	12.1
161.02965	4.6
161.05887	2.3
162.02042	2.5
162.99231	2.9
163.01701	4.3
167.00323	13.4
167.50415	3.0
168.07690	3.1
168.67914	2.0
171.03235	4.5
172.95245	8.3
173.02936	2.8
174.00778	5.3
174.03145	3.0
174.06224	2.6
174.98526	100.0
175.02753	2.6
176.01749	9.2
176.03499	6.8
177.00876	2.6
179.03975	7.0
179.10663	2.5
179.99080	61.7
180.00681	4.0
181.00256	2.8
185.02251	2.4
189.04224	3.1
190.96327	5.3
197.02956	2.3
198.00131	62.4
198.01950	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	179.0702
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.02369	0.4
53.03932	0.9
54.03458	0.4
55.01866	3.2
55.05487	0.4
56.05025	0.7
56.96559	2.5
57.03429	0.7
57.07063	1.0
60.04512	0.6
61.64725	0.4
65.03940	4.0
66.04697	0.5
67.05503	3.3
68.05019	2.1
68.99789	0.8
69.03424	1.1
69.04543	1.4
70.06592	1.1
71.37051	0.7
73.02955	0.4
77.03918	1.0
79.05489	7.1
80.05021	0.8
81.03400	1.7
81.04526	1.6
81.07048	2.0
82.05323	0.7
83.04976	0.7
83.06090	2.0
84.04487	0.8
84.08115	0.5
85.02885	0.5
89.03900	0.8
91.05474	58.5
92.05059	0.4
92.05813	1.4
93.04517	0.4
93.07046	1.5
94.04155	0.4
95.01294	0.7
95.04962	6.7
95.06075	5.2
95.08588	2.2
96.04517	0.7
96.05649	0.6
97.02913	0.4
97.06456	0.6
97.07647	0.4
97.41474	0.4
98.06039	0.4
98.07163	0.4
103.05447	1.4
105.03388	3.5
105.04524	0.7
105.07016	5.8
106.06560	2.1
107.04952	2.0
107.06104	0.6
107.08569	1.2
108.04482	1.2
108.05688	1.0
109.02842	0.8
109.06501	1.3
109.07617	0.8
109.10137	0.9
110.07142	0.8
111.05587	0.7
115.05422	0.7
116.98659	0.4
117.07024	0.4
118.04163	1.5
118.06536	0.5
119.04934	93.6
119.08575	1.4
120.05356	2.6
121.06470	1.5
122.03648	0.9
122.07115	1.1
123.04422	7.4
123.05392	0.7
123.08041	1.3
123.11713	0.6
124.08746	0.5
130.06566	0.4
132.08067	0.4
133.02834	4.9
133.04967	0.5
133.06505	4.0
133.07506	0.7
133.10123	3.3
134.05992	3.6
134.07089	1.8
134.81677	0.4
135.04413	1.7
135.11671	0.5
136.05179	2.4
136.07587	0.9
136.08746	0.6
137.02272	0.4
137.05971	15.1
137.08203	8.2
137.09576	1.0
138.05463	0.4
138.06557	0.5
139.07402	0.8
146.03596	1.5
147.04399	100.0
148.04750	2.5
150.06654	0.5
151.03899	2.6
151.07529	5.5
151.11150	1.4
152.07071	0.8
152.08179	1.9
161.02364	1.1
161.05946	4.4
161.08188	0.8
161.09596	1.6
161.13258	0.4
162.06601	0.5
163.07474	0.6
164.04707	4.4
165.05447	0.5
165.09065	0.7
171.75795	0.3
174.00737	1.2
179.03412	16.1
179.07028	25.7
179.09265	2.5
179.10410	4.5
179.12929	0.4
179.14264	0.8
180.06369	0.7
180.07693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1226
Annotation	Valerianine
Peak:m/z	Relative Intensity
52.65048	0.3
53.03951	0.5
53.46847	0.3
54.03458	0.4
55.01862	1.3
55.05510	0.5
56.05029	0.9
56.96564	3.6
57.07072	0.5
58.06606	0.4
59.93108	0.3
65.03950	0.7
67.05508	1.1
68.05019	1.2
68.99795	0.3
69.07084	0.5
71.56749	0.8
74.94914	0.3
79.05476	2.0
80.05025	1.2
80.05811	0.4
81.03424	0.5
81.04503	0.9
81.07045	1.3
83.06095	1.1
85.02914	0.5
86.06137	0.4
88.02238	0.6
89.03922	1.3
90.04242	2.2
91.05479	5.2
92.04994	0.4
93.05772	0.9
93.07039	1.1
94.06554	0.9
94.07339	0.4
95.04966	2.4
95.06085	2.7
95.08579	0.9
96.04497	0.5
97.06439	0.5
98.07191	0.7
98.97582	0.5
98.98449	0.9
104.04991	0.8
105.03391	0.7
105.07029	3.4
105.20039	0.4
105.92716	0.4
106.06532	0.5
107.08567	1.2
108.05630	0.5
108.08840	0.5
109.06512	0.6
110.06003	0.4
110.07150	1.2
111.05575	0.6
111.62971	0.4
115.05446	0.8
116.98627	1.0
117.03347	1.2
117.05783	0.7
117.06979	1.7
118.03642	3.2
118.06534	11.5
118.96745	1.0
119.04941	3.7
119.07322	11.8
119.08596	0.6
120.05546	0.7
121.06399	0.4
121.10204	0.4
122.06046	0.7
122.07143	0.7
123.04428	2.6
123.06792	0.4
123.08008	0.6
132.04456	0.6
132.08075	1.2
133.02849	2.9
133.06482	1.4
133.10132	1.0
134.09644	72.7
134.99672	1.0
135.04350	1.2
135.08000	0.4
135.09990	1.9
136.07536	0.3
136.08609	0.4
137.05983	0.5
137.08203	4.2
138.06604	0.4
139.07431	0.4
145.02847	0.6
146.03159	4.2
147.04385	3.2
149.05972	0.5
150.05350	0.7
150.06326	1.1
151.03880	1.1
151.07542	0.7
151.09810	0.6
151.11104	0.5
152.08258	0.6
154.96411	0.5
160.03943	1.2
160.07559	0.5
160.11215	1.5
161.02396	0.5
161.05980	1.5
161.08156	0.8
161.09543	0.8
162.09135	3.1
163.03839	0.4
163.07506	0.4
163.09929	1.0
172.95360	0.9
174.00775	1.2
178.04855	2.5
178.12259	100.0
179.03395	7.1
179.06909	1.5
179.09282	1.3
179.10695	1.2
179.12589	3.6
190.96342	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10266	0.3
52.83563	0.3
53.03936	0.6
54.29316	0.3
55.01870	0.7
55.05488	0.4
61.27978	0.3
66.30766	0.4
67.05500	0.5
69.33150	3.4
71.04973	0.4
78.04704	1.0
79.05493	8.2
81.07045	0.7
85.06510	0.3
89.03908	4.0
90.04234	2.8
90.04701	1.1
91.05477	3.3
92.05830	0.3
93.07034	0.6
95.04963	1.7
95.08578	0.6
96.04446	0.4
98.21455	0.8
103.05457	1.5
104.04970	0.9
104.05703	0.7
104.06249	1.2
105.03389	1.4
105.07017	2.6
106.06557	0.8
107.04986	4.5
107.08591	0.8
108.08137	0.4
108.08894	0.4
109.06537	0.4
110.07162	0.5
115.05447	9.0
116.04939	0.8
117.03367	8.3
117.05748	5.2
118.04192	29.5
118.06532	11.0
118.07362	0.8
119.05036	1.7
119.08567	0.9
120.08116	2.0
121.06525	0.7
121.10136	1.1
122.10471	0.5
123.04408	0.9
123.07994	0.4
130.06506	0.5
131.04918	6.1
131.07253	0.4
132.04446	30.4
132.05690	16.1
132.08081	48.5
133.02858	0.8
133.04805	0.6
133.06433	1.4
133.08415	1.3
133.10109	1.0
135.04431	5.8
137.05965	0.7
137.08223	0.9
140.04974	1.7
141.05559	0.4
142.06520	14.5
145.02872	1.6
146.03627	73.5
147.04112	2.5
149.06003	0.5
150.06372	1.6
150.09090	0.6
151.07597	0.4
151.09814	0.5
160.05273	3.3
160.07567	100.0
161.05984	2.4
161.07939	2.4
161.09558	0.6
163.03893	18.9
164.04277	0.8
167.73001	0.3
178.06236	24.9
178.08505	6.5
178.10954	0.9
179.03401	2.7
179.06956	1.7
179.09087	0.4
179.10605	0.8
182.67114	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0862
Annotation	5-Hydroxytryptophol
Peak:m/z	Relative Intensity
51.02394	0.2
51.68528	0.2
55.01868	0.5
67.05498	0.4
69.03422	0.3
70.56339	0.8
77.03928	0.3
78.04725	0.3
79.05492	2.6
82.54451	0.2
89.03903	1.3
90.04240	0.8
90.04714	0.6
91.05477	2.1
93.07029	0.4
93.37416	0.2
95.04964	0.7
95.06130	0.3
98.20767	0.4
103.05482	0.4
104.04981	0.6
104.06271	0.5
105.07041	1.6
106.06553	0.8
107.05004	1.6
107.08537	0.4
114.27170	0.3
115.05448	9.4
116.04975	0.9
116.05724	0.2
117.03374	2.4
117.05753	5.2
117.07080	0.4
118.04192	9.5
118.05693	0.5
118.06536	11.3
119.05037	1.3
119.08562	0.3
120.08105	2.0
121.06514	0.3
121.10143	0.4
122.10471	0.3
123.04411	0.3
123.08073	0.2
123.49738	0.2
130.06511	0.8
131.04915	1.6
132.04448	29.5
132.05673	5.5
132.08078	49.4
133.02837	0.5
133.04761	0.8
133.06464	1.0
133.08408	1.1
133.10109	0.4
135.04395	2.1
136.05141	0.3
137.08275	0.6
140.04913	1.8
142.06511	14.9
143.06873	0.4
145.02832	0.6
146.03629	24.0
147.04471	2.1
149.06003	0.3
150.06352	0.7
150.09137	0.8
160.07567	100.0
161.05998	1.3
161.07938	2.5
163.03906	5.9
177.05602	0.3
178.04779	0.6
178.06245	7.8
178.08582	5.7
179.03357	1.2
179.06898	0.9
179.09001	0.3
179.10692	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.01865	1.9
55.05512	11.4
57.07058	2.9
61.37089	0.7
62.19062	0.7
63.02370	2.4
65.03924	3.2
65.15486	0.8
67.05503	9.2
67.71244	0.7
69.03414	1.3
69.06720	1.4
69.07064	17.1
71.24928	1.5
71.25265	1.8
77.03930	1.0
78.04702	9.9
79.05489	21.9
81.03423	1.5
81.07058	17.2
83.04953	0.9
83.08622	10.4
89.03917	56.9
90.04256	1.6
91.05480	25.4
92.05792	1.4
93.07040	40.0
93.07638	1.9
95.04980	5.8
95.08605	31.6
97.10166	3.0
98.98466	15.3
102.65793	0.8
103.05461	7.0
104.47517	0.9
105.03368	1.3
105.04514	1.2
105.07021	10.8
106.04176	20.5
107.04985	1.6
107.08591	50.0
109.06520	2.9
109.10152	11.5
109.97300	0.9
115.05474	2.0
115.39052	0.9
116.06239	1.8
117.03375	91.9
117.07034	5.8
118.03711	3.8
119.04941	1.7
119.08567	4.1
121.02934	1.2
121.06513	11.6
121.10139	66.0
122.10448	2.0
123.08050	1.9
131.04929	3.7
131.08556	6.2
132.05750	1.1
133.06522	0.9
133.10123	2.6
134.03624	13.0
135.04434	9.2
135.08040	3.0
135.11697	14.4
136.12024	0.9
145.02840	100.0
145.06468	2.0
146.03125	5.7
147.04428	1.2
149.02354	2.2
149.05980	37.5
149.09621	3.6
149.13228	5.0
150.06303	2.0
158.06000	1.3
159.08028	2.0
159.11705	3.0
162.03137	7.0
162.06749	6.0
162.42714	0.8
163.03870	3.4
177.05470	37.5
177.09085	26.8
177.12750	6.0
177.16376	32.2
178.05884	1.8
186.05449	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	177.1637
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03932	3.1
53.26966	1.0
55.01868	1.5
55.05506	13.3
56.96562	8.0
56.96973	0.7
57.07055	1.4
63.02359	1.5
65.03928	3.0
67.05502	10.8
69.03423	1.2
69.07067	26.4
69.61706	5.4
73.15996	0.7
76.70715	0.7
78.04696	3.7
79.05488	23.3
81.03397	1.2
81.07051	18.6
81.07510	1.3
83.04993	0.9
83.08152	0.8
83.08619	13.9
83.22158	0.7
87.26112	0.7
89.03912	45.3
90.04234	1.7
91.05479	23.7
92.05772	1.1
93.07040	43.6
94.07343	1.6
95.04961	7.7
95.08601	38.4
97.10164	2.9
98.97589	9.7
98.98456	9.4
103.05462	4.3
105.03406	0.9
105.04500	1.3
105.07023	12.7
106.04161	4.2
107.04965	1.8
107.08591	68.6
108.08927	2.4
109.06510	3.3
109.10153	12.6
116.98627	8.2
117.03374	70.2
117.07012	2.7
118.03712	2.3
119.01800	1.3
119.06036	0.9
119.08542	3.3
121.06544	3.8
121.10140	100.0
122.10455	2.6
123.08069	1.9
124.05163	1.2
128.98721	1.1
129.06985	0.9
131.04948	2.2
131.08548	5.1
133.10114	3.2
134.03621	8.7
134.99631	4.9
135.04431	6.9
135.08025	2.1
135.11668	15.4
145.02840	67.2
146.03178	1.9
146.99631	1.4
147.04393	2.6
149.02328	2.3
149.05977	26.4
149.09521	1.2
149.13243	5.7
149.59944	0.7
150.06340	1.2
157.08272	0.9
158.99675	1.2
159.04419	1.8
159.08034	1.1
159.11687	3.7
159.90698	0.8
160.07571	0.9
162.03117	1.9
162.06689	1.8
163.03859	2.1
170.99660	0.9
177.00674	2.2
177.05469	26.2
177.09044	8.1
177.12813	5.5
177.16382	38.2
178.05864	1.3
178.16718	1.1
182.86781	0.8
186.05490	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03942	10.8
55.01868	3.9
55.05506	15.8
56.96558	3.4
57.03432	5.1
57.07067	2.3
63.02379	1.6
65.03932	8.6
67.05501	14.6
69.03436	6.8
69.07065	22.7
69.93204	7.5
71.04997	3.4
78.04712	16.6
79.05488	40.1
81.03416	2.0
81.07051	27.2
83.04966	3.7
83.08608	7.0
85.10012	1.5
88.02203	1.8
88.32270	1.2
89.03915	63.6
89.62148	1.2
91.05476	65.6
93.07039	75.4
94.07344	1.9
95.04960	16.7
95.08607	19.3
97.06529	1.7
98.21481	2.9
98.98461	48.0
103.05458	14.5
105.03404	2.4
105.04531	2.8
105.07023	30.8
106.04167	55.1
106.04875	3.1
107.04990	7.6
107.08584	50.2
109.06541	8.5
109.10155	6.4
115.05446	7.1
116.06218	2.4
117.03375	95.1
117.07014	31.2
117.66534	1.6
118.03754	3.3
119.04923	4.1
119.08566	16.0
121.06496	39.2
121.10133	33.8
123.08097	1.6
129.07001	5.8
130.07776	5.8
131.04881	6.7
131.08562	27.3
133.06499	3.8
133.10109	8.3
134.03636	18.8
135.04431	11.2
135.08052	14.6
135.11694	11.2
144.09311	7.7
145.02841	100.0
145.06430	2.3
146.03535	3.1
148.08847	1.8
149.02348	6.3
149.05978	54.8
149.09592	5.6
149.13235	11.5
150.06403	2.5
159.04393	2.6
159.08055	2.8
159.11690	25.2
162.03108	8.8
162.06737	4.4
163.03912	6.0
177.05446	45.3
177.06836	2.5
177.09103	26.8
177.12738	42.1
177.16344	9.4
186.05530	6.9
190.99640	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.3
53.33817	0.9
54.00911	0.9
55.01870	4.9
55.05516	6.3
56.76763	1.1
57.03412	1.4
57.07070	1.3
63.02357	1.7
65.03938	2.0
67.05487	4.2
69.03425	30.8
69.07070	10.3
69.14649	1.1
69.39780	5.7
69.40194	3.3
71.04982	1.2
77.03918	1.6
78.04717	7.5
79.05485	12.6
81.03400	3.2
81.07059	11.9
83.04977	8.0
89.03910	58.1
89.71433	1.1
90.04241	2.2
91.05476	27.4
92.05785	1.1
93.07040	62.2
94.07357	1.4
95.04964	10.8
95.08613	8.2
96.75473	1.3
97.06494	1.4
98.98454	6.2
103.05446	6.5
105.03374	1.4
105.04507	1.7
105.07014	14.4
106.04179	12.3
107.04952	2.9
107.08588	75.4
109.06511	6.7
109.10130	3.0
115.05449	4.4
116.06239	2.0
116.35990	1.1
117.03371	85.2
117.07011	11.8
118.03638	2.1
119.04948	3.0
119.08562	14.5
121.06496	15.6
121.10135	36.2
122.06747	1.1
122.49857	1.0
123.08053	1.9
124.05186	2.8
129.06979	4.2
130.07809	1.4
131.04939	2.5
131.08556	9.3
133.06502	2.6
133.10123	19.1
134.03627	12.5
134.07239	3.2
135.04422	6.9
135.08049	21.3
135.11684	33.0
144.05699	1.3
144.09317	9.0
145.02837	100.0
145.06528	2.7
146.03142	4.8
147.08020	2.9
149.04773	2.4
149.05971	41.4
149.09622	2.7
149.13246	11.2
150.06331	2.3
159.08066	1.3
159.11678	23.1
162.03105	2.5
162.06758	7.2
162.10445	2.0
163.03915	1.6
177.05484	30.4
177.09099	55.1
177.12720	42.7
177.16266	2.6
178.09401	3.3
178.13142	1.6
186.05548	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.02377	0.8
52.82148	0.7
53.03933	4.4
55.01857	3.6
55.05512	4.2
55.05721	0.8
57.07071	0.9
58.89784	0.9
65.03939	1.7
67.05492	3.1
69.03081	1.4
69.03426	19.2
69.07059	5.1
69.98313	2.7
69.98712	2.0
71.04993	1.3
78.04702	3.4
79.05491	7.7
81.03413	2.1
81.07047	6.4
83.04969	4.1
83.08622	0.8
89.03909	15.0
91.05473	19.3
93.07035	43.6
93.67027	0.7
94.07357	0.9
95.04961	7.0
95.08595	5.4
97.06505	1.4
98.98472	5.0
103.05436	3.8
105.03375	1.5
105.07027	11.5
106.04145	5.0
107.04945	2.1
107.08585	50.5
108.08913	1.4
109.06487	4.9
109.10160	1.3
112.68251	0.8
115.05436	7.4
116.06248	4.3
117.03368	21.8
117.06221	1.3
117.07015	19.7
119.04934	2.5
119.07807	1.1
119.08587	10.8
119.86190	0.8
121.06493	11.7
121.10132	21.4
123.08081	1.2
127.25698	0.9
129.06987	3.3
131.04884	1.1
131.08565	7.8
133.06465	4.2
133.10112	12.3
134.03622	4.4
134.07243	5.4
134.10388	0.9
135.04318	3.8
135.08035	17.0
135.11679	18.9
137.50378	0.8
144.05705	2.5
144.09340	7.6
145.02829	26.6
145.06456	4.6
146.03236	1.6
147.04355	1.5
147.08031	1.9
149.05969	19.3
149.09601	2.7
149.13226	10.8
150.06316	1.0
159.08035	2.2
159.11690	19.0
160.11926	1.0
161.05905	1.3
162.03113	4.5
162.06750	16.2
162.10393	1.6
163.07262	0.9
167.92537	0.8
177.05528	14.3
177.09100	100.0
177.12701	27.6
178.09456	5.6
178.13100	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.091
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
53.03929	0.7
55.01859	0.5
55.05511	1.5
56.96558	0.5
63.02370	0.5
65.03925	0.4
67.05508	1.0
69.03404	0.2
69.07065	1.3
69.44975	0.3
69.45379	1.5
70.39849	0.2
70.97826	0.2
73.95387	0.3
77.03898	0.2
78.04713	1.5
79.05495	2.8
81.07054	1.8
83.08604	0.7
89.03913	10.0
91.05477	7.5
93.07042	4.0
95.04955	1.3
95.08606	2.8
97.10155	0.3
98.98468	1.8
103.05471	1.8
105.03412	0.5
105.07037	2.2
106.04179	3.5
106.07780	0.7
107.04937	0.4
107.08586	3.4
109.06485	0.6
109.10134	0.8
115.04691	0.4
115.05451	5.1
116.05518	0.3
116.06245	4.3
117.03371	15.1
117.07014	14.3
118.03674	0.4
118.07324	0.3
119.04935	2.1
119.08559	0.9
120.05721	0.3
121.06500	4.7
121.09306	0.3
121.10124	3.9
124.05151	0.2
129.06998	0.3
131.04874	0.4
131.08556	1.2
133.06487	5.0
133.10095	0.6
134.03624	2.4
134.07281	5.0
135.04439	1.5
135.08061	2.5
135.11696	1.3
143.07254	0.3
144.05695	2.5
145.02838	16.4
145.06479	2.8
146.03226	0.4
146.07237	0.4
147.04393	1.0
147.08069	0.4
149.02335	0.4
149.05977	6.3
149.09622	1.1
149.13258	0.4
150.06290	0.2
158.06059	0.2
159.08076	0.7
159.11679	0.5
161.05991	1.8
162.03104	0.9
162.06754	17.5
163.03894	0.6
163.07069	0.3
175.07533	0.7
177.05690	5.4
177.09097	100.0
177.16365	2.5
178.06049	0.2
178.09453	3.4
186.05510	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01545	0.3
51.02342	0.4
53.03874	0.9
53.06593	0.2
54.06812	0.2
55.01804	1.4
55.02086	0.5
55.05442	1.2
57.03380	0.3
61.26896	0.2
62.01547	0.2
63.02323	0.4
65.03925	1.2
67.05434	1.2
68.73536	0.2
68.99738	0.3
69.03356	3.3
69.06993	2.3
70.37162	0.7
71.55962	0.2
77.03880	0.5
78.04705	3.8
78.93591	0.2
79.05493	3.8
81.03357	0.5
81.07055	2.0
83.04922	0.8
83.08549	0.6
83.95851	0.2
89.03913	17.8
90.04220	0.4
91.05476	13.2
91.28339	0.2
92.05748	0.4
92.06265	0.3
93.03354	0.6
93.07039	10.5
94.07327	0.3
95.01286	0.3
95.04965	3.2
95.05992	0.3
95.08604	2.4
97.06534	0.2
98.20857	0.2
98.98462	8.1
103.05463	3.7
105.03325	0.9
105.04469	0.5
105.07026	4.6
106.04169	7.7
106.07798	0.5
107.04977	1.4
107.08588	10.9
109.06518	1.5
109.07584	0.3
109.10088	0.6
115.05444	6.2
116.05512	0.3
116.06239	4.1
116.99485	0.4
117.03373	25.1
117.07012	16.2
117.07783	0.3
118.03716	0.8
118.06474	0.2
119.04932	3.0
119.05859	0.3
119.06084	0.3
119.08575	3.3
120.05676	0.3
121.02808	0.6
121.06493	9.4
121.07374	0.5
121.10134	8.0
122.06792	0.4
123.08066	0.3
124.05162	0.8
129.06995	1.2
131.04930	2.1
131.06888	0.2
131.08563	3.0
132.05707	0.2
133.06490	4.0
133.10124	3.0
134.03636	5.0
134.06311	0.3
134.07271	4.7
134.08284	0.3
134.10818	0.2
135.04437	3.4
135.08044	5.4
135.10695	0.3
135.11679	4.3
136.08658	0.5
137.09480	0.4
144.05699	2.6
144.09314	1.2
145.02840	27.2
145.06490	4.2
146.03458	0.4
147.04382	1.2
147.08043	1.1
149.02350	1.1
149.05972	21.8
149.09578	2.2
149.13254	1.8
150.06395	0.8
150.10266	0.3
158.06039	0.5
159.04430	0.5
159.08028	1.0
159.11671	3.8
161.05960	1.7
162.03128	3.6
162.06750	15.8
163.03922	1.1
163.07211	0.4
164.05890	0.2
175.07567	0.6
176.08337	0.2
177.05525	16.8
177.09094	100.0
177.12785	6.5
177.16249	1.4
178.06029	0.4
178.09485	2.9
178.10980	0.2
179.37047	0.2
184.58354	0.2
186.05504	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0909
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
51.02351	0.2
53.03907	0.5
53.22134	0.2
55.01837	0.6
55.05480	0.5
63.02345	0.7
65.03912	0.3
67.05474	1.0
69.03383	0.4
69.07034	0.7
71.58007	0.5
77.03901	0.4
78.04339	0.2
78.04707	2.6
79.05056	0.2
79.05478	2.2
81.07070	1.2
83.08595	0.4
89.03912	25.5
90.04229	0.6
91.05473	9.4
92.06261	0.5
93.07036	3.3
95.04962	2.1
95.06104	0.2
95.08611	1.2
98.98457	3.3
102.04603	0.3
103.05462	4.9
105.03372	0.8
105.04501	0.4
105.07031	2.8
106.04159	3.5
106.07784	0.7
107.04937	0.6
107.08590	2.6
109.06514	0.6
109.10168	0.4
115.05446	6.2
116.06242	5.1
117.03374	38.9
117.07011	15.8
117.07864	0.5
118.03688	0.9
118.07316	0.3
119.04932	2.6
119.08574	1.0
120.05699	0.2
121.06502	5.1
121.10129	3.0
124.05198	0.8
129.06995	0.6
129.60666	0.2
131.04919	10.7
131.08565	1.7
133.06483	4.2
133.10147	0.6
134.03627	5.9
134.04645	0.4
134.07265	5.5
135.04427	3.9
135.08037	2.4
135.11708	0.9
143.38188	0.2
144.05710	2.8
145.02838	38.4
145.06493	2.6
146.03168	1.3
146.07263	0.4
147.04425	0.8
147.08070	0.6
149.02310	0.5
149.05972	13.7
149.09596	1.6
149.13243	0.4
150.06319	0.4
158.06049	0.8
159.04410	7.1
159.08107	0.8
159.11717	0.9
161.05972	2.2
162.03166	1.0
162.06752	16.8
163.03946	1.2
163.07182	0.6
175.07616	0.4
177.05540	14.3
177.09093	100.0
177.16327	1.2
178.05974	0.6
178.09439	4.1
186.05482	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0909
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene
Peak:m/z	Relative Intensity
55.05499	0.4
63.71988	0.3
67.05520	0.4
71.18916	0.8
72.59126	0.3
79.05473	0.7
89.03915	2.0
91.05478	5.6
93.07032	1.3
95.04955	0.5
95.08605	0.6
98.98457	0.6
103.05450	0.9
105.07041	1.9
106.04237	0.4
106.07784	0.7
107.04987	0.4
107.08561	1.0
115.05457	4.9
116.06249	4.8
117.03362	2.7
117.07018	14.4
118.03683	0.4
118.07318	0.5
119.04932	2.5
119.08576	0.6
121.06498	2.2
121.10114	1.0
131.08603	0.5
133.06494	4.6
134.07269	5.2
135.04436	0.5
135.08044	1.9
144.05722	2.5
145.02812	2.6
145.06522	2.3
146.07254	0.6
147.04402	0.9
147.08026	0.6
149.05966	1.8
149.09630	1.1
161.06004	1.7
162.06761	17.6
163.07024	0.5
175.07564	0.6
177.09103	100.0
178.09436	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	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.01588	0.5
51.02364	0.4
53.03948	0.6
55.01868	0.6
62.58209	0.3
63.02353	2.0
65.03943	0.8
67.05488	0.5
69.07056	0.6
69.38361	3.1
69.38776	0.8
77.03935	0.4
78.04709	4.8
79.05506	2.1
81.07041	1.4
89.03914	62.4
90.04247	1.6
90.42175	0.4
91.05477	6.2
92.62517	0.4
93.06510	0.6
93.07037	3.5
95.04953	2.1
95.08589	1.6
98.98473	2.4
103.05463	2.8
105.03381	1.0
105.04497	0.5
105.07013	1.1
106.04165	4.9
107.04966	0.9
107.08604	3.1
109.10189	0.4
111.11143	0.4
115.05479	0.5
117.03375	97.8
118.03664	2.8
119.04939	1.1
119.08585	0.5
121.06530	2.3
121.10129	3.5
124.05178	1.8
129.04451	0.6
131.04906	0.5
131.08557	0.5
133.10129	0.5
134.03630	13.1
135.04431	9.3
135.08043	0.7
135.11694	1.3
145.02841	100.0
146.03166	3.2
149.05978	29.5
150.06323	1.3
158.06004	1.1
159.11754	0.4
162.03130	2.6
162.06718	0.5
163.03922	2.4
177.05467	22.5
177.09047	3.7
177.12712	1.6
177.16400	1.3
178.05823	0.8
186.05490	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0909
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
50.01545	0.3
51.02342	0.4
53.03874	0.9
53.06593	0.2
54.06812	0.2
55.01804	1.4
55.02086	0.5
55.05442	1.2
57.03380	0.3
61.26896	0.2
62.01547	0.2
63.02323	0.4
65.03925	1.2
67.05434	1.2
68.73536	0.2
68.99738	0.3
69.03356	3.3
69.06993	2.3
70.37162	0.7
71.55962	0.2
77.03880	0.5
78.04705	3.8
78.93591	0.2
79.05493	3.8
81.03357	0.5
81.07055	2.0
83.04922	0.8
83.08549	0.6
83.95851	0.2
89.03913	17.8
90.04220	0.4
91.05476	13.2
91.28339	0.2
92.05748	0.4
92.06265	0.3
93.03354	0.6
93.07039	10.5
94.07327	0.3
95.01286	0.3
95.04965	3.2
95.05992	0.3
95.08604	2.4
97.06534	0.2
98.20857	0.2
98.98462	8.1
103.05463	3.7
105.03325	0.9
105.04469	0.5
105.07026	4.6
106.04169	7.7
106.07798	0.5
107.04977	1.4
107.08588	10.9
109.06518	1.5
109.07584	0.3
109.10088	0.6
115.05444	6.2
116.05512	0.3
116.06239	4.1
116.99485	0.4
117.03373	25.1
117.07012	16.2
117.07783	0.3
118.03716	0.8
118.06474	0.2
119.04932	3.0
119.05859	0.3
119.06084	0.3
119.08575	3.3
120.05676	0.3
121.02808	0.6
121.06493	9.4
121.07374	0.5
121.10134	8.0
122.06792	0.4
123.08066	0.3
124.05162	0.8
129.06995	1.2
131.04930	2.1
131.06888	0.2
131.08563	3.0
132.05707	0.2
133.06490	4.0
133.10124	3.0
134.03636	5.0
134.06311	0.3
134.07271	4.7
134.08284	0.3
134.10818	0.2
135.04437	3.4
135.08044	5.4
135.10695	0.3
135.11679	4.3
136.08658	0.5
137.09480	0.4
144.05699	2.6
144.09314	1.2
145.02840	27.2
145.06490	4.2
146.03458	0.4
147.04382	1.2
147.08043	1.1
149.02350	1.1
149.05972	21.8
149.09578	2.2
149.13254	1.8
150.06395	0.8
150.10266	0.3
158.06039	0.5
159.04430	0.5
159.08028	1.0
159.11671	3.8
161.05960	1.7
162.03128	3.6
162.06750	15.8
163.03922	1.1
163.07211	0.4
164.05890	0.2
175.07567	0.6
176.08337	0.2
177.05525	16.8
177.09094	100.0
177.12785	6.5
177.16249	1.4
178.06029	0.4
178.09485	2.9
178.10980	0.2
179.37047	0.2
184.58354	0.2
186.05504	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03934	0.8
53.35440	0.4
54.57800	0.3
55.01860	0.6
55.05500	0.6
61.63648	0.3
63.02357	2.0
65.03938	0.7
66.88785	0.3
69.03426	0.7
69.07069	0.6
70.14661	0.7
70.15089	1.4
78.04701	5.2
79.05494	1.6
81.03378	0.4
81.07046	0.5
83.08595	0.4
89.03918	62.0
90.04246	1.5
91.05475	6.3
93.07043	2.6
95.04985	2.5
95.08592	1.4
95.14439	0.4
98.21075	0.9
98.98466	4.3
103.05444	3.2
103.05949	0.3
105.03397	1.3
105.04512	0.4
105.07024	1.1
106.04170	5.9
107.04953	0.8
107.08594	2.4
112.37005	0.3
115.05433	0.7
117.03378	93.5
117.07022	1.3
117.78310	0.4
118.03658	2.4
119.04951	1.1
119.08574	0.8
121.06495	3.2
121.10160	2.6
124.05202	1.7
129.04463	0.5
131.04915	1.3
131.08571	1.5
133.06412	0.5
134.03638	13.0
135.04428	8.4
135.08072	1.0
135.11691	0.8
136.08560	0.3
145.02843	100.0
146.03185	3.8
147.04425	0.9
149.02342	0.8
149.05978	30.1
149.09612	0.6
150.06334	1.3
158.06003	1.5
159.08052	0.8
159.11711	0.6
162.03143	2.9
163.03867	3.0
177.05469	23.0
177.08966	3.0
177.12746	1.4
177.16396	1.0
178.05864	0.6
186.05487	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.4
54.27396	0.9
55.01851	1.3
55.05267	1.0
55.05512	11.0
56.96554	3.4
57.07044	1.4
63.02371	2.0
65.03928	2.0
67.05501	10.5
69.07067	27.0
69.68455	6.3
72.93785	1.0
78.04694	2.4
79.05492	20.8
81.07051	15.5
83.04961	1.0
83.08618	13.8
84.14438	1.1
88.34592	0.8
88.42464	0.9
89.03918	45.8
90.04243	1.2
91.05482	18.8
93.07040	39.2
93.60139	0.9
95.04983	5.0
95.06054	1.0
95.08605	36.2
97.10178	2.3
98.97572	3.5
98.98472	16.0
103.05451	4.4
104.72761	0.9
105.07027	9.8
106.04180	5.0
106.07801	1.1
107.04900	1.9
107.08592	70.9
109.06480	2.4
109.10148	12.6
116.98594	3.2
117.03380	72.7
117.06992	2.9
118.03700	2.0
119.04920	2.1
119.08545	3.6
121.02869	1.5
121.06493	3.5
121.10140	100.0
123.08060	1.5
124.05212	1.4
131.04942	5.3
131.08542	4.3
133.10118	2.0
134.03627	9.9
134.99635	1.9
135.04413	8.6
135.08032	1.7
135.11684	16.4
136.08769	1.3
137.09491	1.1
141.08813	1.0
145.02844	74.9
146.03146	1.8
147.04430	1.3
149.02338	2.2
149.05986	26.5
149.09605	1.8
149.13248	7.0
159.04427	2.6
159.08061	1.8
159.11703	2.0
162.03110	3.5
163.03949	1.6
177.05466	24.7
177.09045	6.2
177.12814	7.0
177.16382	40.5
183.34688	0.9
186.05515	2.7
197.83215	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02367	0.4
51.48082	0.3
53.03945	1.7
55.01868	1.0
55.05506	2.2
57.03440	0.7
61.19209	0.3
63.02361	2.2
65.03934	1.5
65.39059	0.4
65.60877	0.3
67.05502	1.8
69.03427	0.5
69.07068	2.8
69.33875	3.5
78.04276	0.5
78.04713	7.3
79.05055	0.7
79.05487	6.0
81.07060	3.5
81.67687	0.3
83.04981	0.4
83.08624	1.2
88.89492	0.3
89.03914	61.1
90.04246	1.8
91.05476	12.0
93.07037	9.4
95.04963	3.7
95.08600	3.8
97.06514	0.4
98.98460	7.0
103.05451	4.1
105.03406	1.5
105.04497	0.9
105.07032	2.7
106.04170	13.2
107.04956	1.6
107.08594	6.7
109.06517	1.5
109.10162	1.4
115.05457	0.6
117.03374	91.5
117.06996	2.5
118.03680	2.6
119.04923	1.2
119.08590	1.5
121.06499	5.8
121.09325	0.5
121.10141	6.6
123.08049	0.4
123.11684	0.4
124.05218	1.9
129.06999	1.0
130.07813	0.4
131.04941	1.3
131.08563	3.5
133.06465	0.6
133.10086	0.9
134.03629	12.0
135.04425	8.6
135.08063	1.1
135.11705	2.3
138.84911	0.3
144.09328	0.8
145.02838	100.0
146.03146	2.9
147.04399	0.9
148.05049	0.4
149.02379	0.7
149.05974	31.4
149.09633	0.8
149.13269	1.4
150.06352	0.7
158.05994	1.7
159.04440	0.5
159.08017	0.6
159.11665	2.8
162.03123	2.8
162.06732	1.5
163.03914	2.6
175.87764	0.4
177.05464	25.3
177.09076	6.5
177.12733	4.6
177.16394	2.0
178.05878	1.1
186.05484	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	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02380	0.6
53.03947	1.7
55.05503	1.4
57.52143	0.4
63.02376	1.8
65.03939	1.0
67.05499	1.2
69.03381	0.5
69.07063	1.7
71.58221	0.7
75.83859	0.4
78.04709	8.0
79.05494	3.8
81.07048	1.9
83.08620	1.0
84.05517	0.5
86.03983	0.4
89.03915	60.9
90.04253	1.5
91.05475	9.9
93.07043	5.8
95.04967	3.2
95.08602	3.5
98.98464	7.1
103.05467	3.9
105.03398	1.8
105.07013	1.4
106.04173	13.3
106.04877	0.9
107.08593	5.3
108.31529	0.4
109.06566	0.6
109.10161	1.1
111.75709	0.4
115.05469	0.6
117.03378	88.5
117.07053	1.4
118.03681	2.5
119.04909	1.3
119.08563	0.7
121.06497	5.2
121.10125	6.8
124.05198	1.7
131.04945	1.6
131.08548	1.5
134.03635	12.4
135.04440	7.8
135.08044	0.8
135.11673	2.1
145.02841	100.0
146.03148	2.8
147.04395	0.8
149.02370	0.6
149.05981	29.6
149.09628	1.5
150.06339	0.8
158.06021	1.4
159.08084	0.7
159.11665	0.9
162.03149	3.9
162.06657	0.7
163.03894	2.5
177.05466	24.4
177.09064	4.7
177.12721	2.1
177.16429	2.4
177.90820	0.5
178.05954	0.7
186.05487	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.49224	0.2
51.16344	0.2
51.84575	0.2
53.03920	0.6
55.01838	0.6
55.05466	0.6
63.02350	0.7
65.03908	0.6
67.05466	0.8
67.05793	0.3
69.03413	0.3
69.07024	0.8
70.60122	0.5
70.60529	0.7
77.54946	0.2
78.04717	2.5
79.05485	2.2
81.07042	1.4
83.04892	0.3
83.08594	0.5
84.15863	0.2
89.03918	23.4
89.56744	0.3
90.04214	0.7
91.05479	9.0
93.07036	4.0
95.04984	1.9
95.08598	1.8
98.98471	3.1
103.05463	4.6
105.03364	0.7
105.07028	2.3
106.04173	2.7
106.07817	0.5
107.04946	0.6
107.08594	3.7
109.06496	0.4
109.10152	0.6
110.89706	0.2
115.05459	5.0
116.06240	4.7
117.03380	34.7
117.07020	15.4
118.03728	0.8
118.07351	0.4
119.04951	2.2
119.08601	1.1
120.05745	0.6
121.02774	0.3
121.06499	5.0
121.10127	3.1
124.05238	0.5
125.99130	0.3
129.07010	0.4
131.04926	9.1
131.08530	1.6
133.06496	4.1
133.10118	0.4
134.03633	4.9
134.07274	5.2
135.04437	4.1
135.08060	2.6
135.11713	1.0
144.05690	2.5
144.09392	0.4
145.02846	41.2
145.06488	2.4
145.98079	0.2
146.03139	1.5
146.07283	0.3
147.04437	0.7
147.08078	0.6
149.02336	0.6
149.05980	14.1
149.09608	2.1
149.13307	0.5
150.06351	0.7
158.06029	0.6
159.04417	7.9
159.08089	0.8
159.11760	1.0
161.06001	1.9
162.03183	1.1
162.06757	17.0
163.03941	0.9
163.07106	0.6
172.95357	0.3
175.07666	0.4
177.05562	13.8
177.09105	100.0
177.16374	1.3
178.05939	0.7
178.09450	3.1
186.05602	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.01603	0.8
53.03934	1.1
53.58793	0.6
55.01857	1.1
55.05502	1.0
59.05011	0.8
61.90379	0.6
62.97462	0.5
63.02357	1.2
65.03929	1.3
67.05495	1.6
69.03416	1.0
69.07056	1.2
70.00254	2.9
78.04710	5.1
79.05506	4.2
81.07037	2.3
83.04986	0.6
85.02844	0.6
87.88493	0.5
89.03915	61.8
90.04267	1.6
91.05476	11.8
93.07043	6.8
95.01340	0.7
95.04961	3.3
95.06110	0.5
95.08590	2.1
98.97577	0.6
98.97826	0.9
98.98463	9.7
102.69151	0.6
103.05477	5.3
105.03372	0.9
105.07017	3.7
106.04173	5.6
107.04936	2.2
107.08598	5.5
109.06512	1.0
109.10131	0.7
115.05457	2.7
116.06235	3.1
117.03374	96.3
117.07011	8.7
118.03725	2.0
118.06506	0.7
118.07346	0.8
119.04938	2.3
119.08630	1.5
121.06501	5.9
121.10138	5.4
124.05224	2.0
131.01883	0.8
131.04950	1.7
131.08566	4.6
133.06471	2.6
133.10117	1.8
134.03621	13.3
134.07246	3.3
135.04404	9.9
135.08020	2.3
135.11682	1.4
144.05704	1.4
145.02838	100.0
145.06491	2.6
146.03175	3.1
147.04387	1.3
149.02298	1.2
149.05974	36.8
149.09607	2.4
149.13229	1.0
150.06305	1.4
158.05997	1.5
159.08028	1.5
159.11732	1.4
161.05952	0.9
162.03127	5.0
162.06747	6.6
163.03928	2.7
177.03860	1.2
177.05472	31.3
177.09096	51.5
177.12610	3.4
177.16330	1.6
178.05783	1.1
178.09483	1.0
186.05577	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03945	1.7
55.01870	1.1
56.96577	0.8
58.54341	0.7
63.02385	2.0
65.03935	1.9
68.99783	3.3
69.07083	0.8
71.01353	2.6
71.02422	1.4
77.03900	0.7
78.04701	7.9
79.05503	6.1
81.07054	2.4
81.07507	0.7
89.03918	65.5
90.04218	1.4
91.04964	1.1
91.05485	11.4
93.03385	1.9
93.07058	3.2
95.04971	5.0
95.68994	0.6
98.98463	5.4
103.04794	0.9
103.05476	18.7
105.03406	4.0
106.04173	17.0
107.04997	3.4
107.08620	1.8
115.05422	1.2
117.03384	92.5
117.07044	3.6
118.04225	10.8
119.04927	2.4
121.02882	0.8
121.06516	8.0
121.10152	1.9
124.05218	1.6
131.04942	6.6
131.08588	1.4
132.05687	4.6
133.06554	1.4
134.03630	13.5
134.07277	0.7
135.04428	9.6
144.05696	0.8
145.02849	100.0
146.03651	27.1
146.07278	0.6
147.04405	0.7
148.53938	0.7
149.05981	35.6
149.09596	0.7
150.06374	1.8
159.04353	1.5
159.08012	0.8
159.11871	0.9
160.05193	1.2
162.03145	4.4
162.06725	4.0
163.03923	9.7
168.29942	0.7
177.05479	29.3
177.09091	20.1
177.11383	0.8
177.12740	1.0
178.06271	7.5
186.05443	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	177.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
53.33151	0.4
55.01870	0.5
55.05508	0.7
61.24211	0.4
63.02375	1.1
65.03963	0.5
66.79472	0.4
67.05518	0.8
69.07067	2.0
69.49901	4.1
73.73793	0.5
78.04700	4.0
79.05480	2.5
81.07057	1.3
83.08607	1.1
83.36253	0.5
89.03913	55.3
90.04256	1.5
91.05479	5.7
93.07035	3.9
95.04960	1.5
95.08599	2.2
98.98465	2.0
103.05459	2.7
105.03401	1.1
105.04525	0.5
105.07031	1.3
106.04182	6.0
107.04934	0.5
107.08573	4.1
109.10132	1.0
115.05402	0.5
117.03374	90.6
117.07027	1.7
118.03671	2.4
119.04919	0.9
119.08552	0.6
121.06462	2.4
121.10144	7.1
124.05235	1.5
131.04935	0.7
131.08626	0.8
134.03622	11.2
134.07121	0.5
135.04414	7.9
135.08002	0.6
135.11708	1.6
145.02838	100.0
146.03172	3.5
149.05972	30.5
149.13287	0.7
150.06308	1.1
158.06068	1.1
162.03090	2.2
163.03902	3.2
177.05464	21.8
177.09088	5.7
177.12679	0.7
177.16409	2.4
178.05876	0.7
186.05521	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	177.007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.7
56.96305	1.8
56.96566	27.4
63.88720	1.7
69.01213	1.6
70.23251	6.1
71.18513	1.5
71.95251	3.3
77.00890	3.6
79.05462	1.9
91.05473	4.4
93.07068	2.5
98.96935	3.3
98.97575	62.4
98.98460	14.8
100.02468	3.3
105.02173	3.3
105.06969	1.8
107.08567	3.1
113.00839	2.0
116.98619	84.1
116.99451	4.3
117.03376	4.1
118.03494	4.4
119.01903	8.9
120.02087	2.8
121.01685	9.3
121.10129	4.4
129.03998	2.1
131.01915	22.9
131.08528	2.0
134.99655	100.0
135.03249	14.6
135.04173	2.8
136.02721	2.0
137.02974	4.6
139.02727	6.5
145.02792	3.4
146.99709	2.1
147.03185	1.8
149.02934	6.2
153.00746	20.2
153.04306	4.7
154.03557	9.3
154.84705	1.7
155.48683	1.7
158.01222	7.0
172.01564	9.9
172.04584	7.5
173.01279	2.1
173.02910	9.8
173.04166	2.3
177.00977	11.3
177.02440	2.3
177.04131	10.3
177.05524	2.1
177.09058	3.3
178.01044	2.2
190.02594	5.6
190.95241	2.6
191.03787	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.01872	6.1
55.05494	1.6
56.96564	92.8
57.03436	23.2
57.57304	0.8
58.06582	3.3
58.55228	0.9
58.99851	1.1
59.04981	1.6
59.06922	2.3
59.07381	2.3
60.04499	1.2
60.07706	1.5
60.08152	1.7
60.95846	8.2
61.02925	11.5
63.02377	1.1
63.32872	0.9
64.51054	0.8
65.03912	1.2
66.39880	0.9
67.05498	1.8
68.02640	3.6
68.05029	1.2
69.03079	1.4
69.03426	20.3
69.07069	1.3
69.63581	4.4
69.63992	2.5
70.03743	1.3
71.01355	3.5
71.04974	3.9
71.95255	3.2
72.08150	2.4
73.02915	32.0
74.00260	1.5
74.06056	1.9
74.97595	6.6
75.01036	1.9
75.04464	1.0
76.00002	1.6
76.26619	1.0
77.00793	5.5
78.04710	1.3
79.05486	3.7
81.01019	3.4
81.03409	13.7
81.07025	1.5
82.01790	1.1
83.00777	15.2
83.01271	0.8
83.04987	1.1
84.01563	1.8
84.96047	5.7
85.02426	1.9
85.02909	24.2
85.04015	2.3
85.77503	0.9
86.01300	2.2
86.03214	1.5
86.03679	5.4
87.01060	1.7
87.04494	1.8
88.03968	1.8
88.07648	1.0
89.00775	10.0
89.03411	1.4
89.03922	23.8
90.01546	16.8
91.00517	2.7
91.02325	0.9
91.05482	5.1
92.01293	14.3
93.07065	4.6
94.51579	1.7
95.00758	2.4
95.01318	7.2
95.04957	4.2
96.01546	8.9
97.00509	2.7
97.02292	1.5
97.02891	19.0
97.96780	3.4
98.01290	17.0
98.03213	1.3
98.20749	1.7
98.97576	44.7
98.98451	21.3
99.02067	4.2
99.04446	3.2
100.01010	1.3
100.02444	2.0
100.99109	3.0
101.00769	5.9
101.50882	0.9
101.52303	2.1
102.01535	1.6
103.00563	1.4
103.02392	1.9
103.05434	5.2
104.01280	8.7
105.00257	1.5
105.02108	8.0
105.07042	1.4
106.01012	2.3
106.04166	2.5
107.01809	12.7
107.04948	6.8
107.08570	3.0
109.02889	7.7
110.01275	43.3
110.51421	1.9
110.97568	3.6
111.04444	1.0
112.01010	3.0
112.99141	1.3
113.00864	3.6
114.00758	1.0
114.02593	2.8
115.00515	1.4
115.02384	1.2
115.97822	4.1
116.01295	1.4
116.98618	42.5
117.02033	2.9
117.03377	35.9
117.07028	2.2
118.01025	6.8
118.03561	1.7
118.52598	1.2
119.00166	4.4
119.01805	89.4
119.04985	1.4
119.51962	5.6
120.01993	1.8
120.98034	1.6
121.01648	8.4
121.02683	1.0
121.03490	1.2
121.06507	3.5
121.10130	5.0
121.52074	4.1
123.03163	2.4
123.04455	1.1
124.01013	2.7
126.02522	2.9
127.03905	5.4
128.02313	100.0
128.52489	6.7
128.98596	12.6
129.03969	2.0
129.51828	1.3
130.52586	9.7
131.00182	3.8
131.01903	61.6
131.04892	4.9
131.08524	1.3
132.02040	2.8
133.01558	3.4
133.03439	2.8
133.98846	2.6
134.03641	5.8
134.99651	37.0
135.03162	3.7
135.04379	5.8
136.02359	1.4
137.02832	54.1
137.52991	3.5
138.02554	0.9
139.02696	3.1
139.53116	12.9
140.00169	2.2
140.03253	1.8
143.00186	4.5
143.01892	1.6
144.98087	1.9
144.99783	1.5
145.01622	2.7
145.02791	33.2
146.03450	3.8
146.99657	20.2
147.03120	5.2
147.05011	3.2
148.53625	3.9
149.01164	3.6
149.03011	18.9
149.05980	19.7
149.09634	1.4
150.03015	1.7
151.03844	1.4
152.96909	1.1
153.00725	6.3
153.04134	1.4
154.02097	3.2
154.03464	18.0
154.94142	3.5
155.00111	1.8
155.01843	5.9
158.01215	3.3
158.99649	3.7
160.07591	1.2
160.09662	1.4
161.01202	8.4
161.02921	1.4
162.03110	3.4
162.99144	7.3
163.01208	0.9
163.02661	2.9
163.03975	1.1
164.04381	1.1
165.00700	8.8
166.98529	1.7
167.02197	2.9
168.99933	1.1
172.01508	2.8
172.03142	1.3
172.04453	4.8
172.95232	16.6
173.01236	7.4
173.02953	15.4
173.04494	1.4
177.00662	5.5
177.04184	2.8
177.05450	16.4
177.06850	1.6
177.09001	7.1
177.12923	3.3
177.15611	5.3
178.03497	1.4
178.04945	2.4
179.02243	1.9
181.00226	1.3
185.01259	1.0
185.02940	1.9
187.02815	1.4
189.00719	2.7
190.02582	1.3
190.96283	13.2
190.98573	2.9
191.00395	1.0
191.02243	3.8
191.04013	4.4
195.96857	2.0
196.04597	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	176.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	2.8
53.03945	40.0
54.04707	1.2
54.15921	1.3
55.05513	18.5
58.99587	3.7
59.96716	1.5
61.00842	2.0
61.01151	32.3
62.99075	15.4
63.02347	1.1
65.00637	16.6
65.03919	5.3
67.04220	2.6
67.05486	5.7
68.05032	6.5
69.03429	9.2
69.05812	1.8
69.07055	5.3
69.91489	3.0
69.91899	5.3
70.04211	1.6
71.04993	7.2
71.99100	15.5
72.00315	1.5
73.01133	2.3
74.99055	2.2
75.02724	6.1
78.03461	12.6
78.04686	2.6
78.96764	2.7
79.05489	2.3
80.05002	4.6
81.07067	1.5
82.99556	4.5
84.00337	2.0
84.18964	1.1
85.01127	63.9
86.01909	1.9
87.02688	59.5
89.00612	4.4
89.03899	26.8
89.04397	1.6
91.05473	6.2
92.05789	2.1
93.07040	2.6
93.22120	1.4
95.04986	2.8
96.04488	100.0
97.04822	1.3
98.20592	1.2
98.98449	10.2
100.02182	2.1
101.02968	3.7
101.04237	11.1
103.02165	31.5
103.05450	2.7
104.02930	4.3
105.07035	5.9
106.04153	3.5
106.07349	3.5
107.08562	2.1
112.02188	90.6
117.03341	43.3
119.08595	3.4
120.08920	9.3
121.06475	4.4
129.20894	1.2
130.06517	3.2
131.04900	2.6
131.08594	2.3
133.10117	5.2
134.03632	6.4
134.10463	7.3
135.04405	3.6
145.02835	43.1
149.02325	1.7
149.05971	17.0
159.08214	1.7
159.11603	1.3
162.03127	2.1
163.03908	2.2
166.70082	1.3
173.32254	1.5
176.01994	48.9
176.08073	1.9
176.11583	1.6
176.15160	6.8
177.05470	13.5
177.09087	5.2
177.12787	1.5
186.05537	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.3
53.03955	0.5
55.01869	1.1
55.05515	0.3
56.96566	0.8
65.03941	0.6
67.05511	0.4
70.55382	1.0
77.03931	0.3
78.04720	0.6
79.05493	3.5
81.07067	0.9
82.07396	0.5
89.03906	4.2
90.04694	0.5
91.05474	4.4
92.05824	0.5
93.07031	0.7
95.04961	1.2
95.08599	0.6
96.08973	0.4
98.97594	0.7
98.98479	1.7
102.04681	0.4
103.05462	6.1
105.03375	0.5
105.07027	23.7
106.04174	0.6
106.07360	2.0
107.04962	0.5
107.08624	0.5
115.05450	5.8
116.98631	0.6
117.03371	6.2
117.04141	0.5
117.07006	1.2
118.04144	4.0
118.04924	0.3
119.04979	0.8
119.08575	1.1
120.08900	2.5
121.06505	1.3
121.10159	0.3
129.03355	10.1
130.06497	0.4
131.04924	6.7
131.08591	0.5
132.05736	0.4
132.08899	0.3
133.06487	44.3
133.10127	1.1
134.03639	0.7
134.06799	1.3
134.10468	2.9
135.04427	0.5
143.05093	0.3
143.06012	1.8
145.02849	5.2
145.06474	4.1
146.03630	0.5
146.07246	1.2
146.10555	0.3
147.08060	1.7
148.11964	0.7
149.05980	4.4
160.05257	0.4
161.05971	100.0
162.03082	0.5
162.06297	3.5
175.07526	6.6
176.08318	42.8
176.15285	2.2
177.05470	2.3
177.09026	4.3
186.05534	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31996	0.4
50.99338	0.4
53.03913	0.9
55.01834	1.5
55.05481	0.8
56.19374	0.4
56.93367	0.4
61.92060	0.5
63.02370	0.6
64.38539	0.4
65.03908	0.8
65.19649	0.4
67.05488	0.6
69.03441	0.4
69.07043	1.0
69.86399	2.9
70.07364	0.5
73.45759	0.4
78.04713	2.4
79.05488	3.5
81.07030	0.8
84.01688	0.4
84.23501	0.4
85.62111	0.5
87.33231	0.4
87.82462	0.5
89.03918	13.9
91.05480	7.6
91.20708	0.4
92.05789	1.4
93.07045	2.7
95.04985	2.8
95.08587	1.0
98.20792	0.5
98.98460	7.8
102.04672	0.6
103.05469	7.7
105.03380	0.9
105.07030	24.1
106.04176	6.3
106.07352	1.9
107.04940	1.0
107.08557	1.3
113.99155	0.5
115.05444	6.7
116.05758	1.3
116.99458	0.5
117.03376	21.3
117.07027	1.4
118.04154	4.7
118.06512	2.1
118.07295	0.7
119.04926	0.9
119.08558	2.1
120.08116	0.9
120.08887	3.5
121.06501	4.7
121.10125	1.4
124.05178	0.6
129.03362	11.1
130.03983	0.6
130.06531	1.1
131.04930	7.2
131.08539	0.9
132.08014	0.9
132.61937	0.5
133.06491	42.8
133.10109	1.0
134.03650	3.6
134.06859	0.9
134.10454	2.0
135.04419	2.8
143.06033	1.4
145.02843	22.2
145.06506	4.0
146.03697	0.6
146.07298	2.7
147.04416	0.7
147.08058	2.5
148.03984	0.5
148.12067	0.6
149.02312	0.9
149.05983	12.6
149.09697	0.7
158.05936	0.7
159.04305	0.5
160.05103	0.7
161.05977	100.0
162.03122	1.5
162.06308	3.4
163.03952	0.9
175.07547	6.7
176.08325	41.8
176.14388	5.6
177.05469	7.9
177.09056	6.7
177.12711	0.9
177.16428	0.9
186.05545	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
52.27999	1.1
55.05512	8.7
57.07055	1.3
67.05487	3.8
69.07065	24.4
69.25686	13.0
69.26014	1.5
72.62186	0.9
74.69592	0.9
79.05470	4.1
81.07037	8.6
83.08607	4.6
87.61698	0.9
91.05476	13.8
93.07041	3.8
95.08601	8.3
98.20784	2.4
98.98457	2.0
104.06280	1.2
105.07025	32.4
107.08575	6.7
115.05435	1.6
117.07010	5.6
119.08575	100.0
120.08904	2.6
121.10137	3.2
131.08543	5.2
132.09389	1.4
133.10126	80.5
134.10498	3.1
145.10141	7.9
147.11685	14.6
159.11688	1.4
160.12491	5.0
173.13243	2.7
175.07515	1.6
175.14819	80.5
176.15125	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
51.20832	0.8
52.95893	0.8
53.03946	1.0
55.01866	1.2
55.05514	8.0
57.07060	1.4
57.50029	0.7
67.05486	3.9
69.07067	13.9
69.48661	6.1
77.03903	0.8
79.05493	7.0
81.07053	30.9
81.61960	0.7
83.08622	2.9
91.05475	22.2
93.07029	11.3
95.04956	1.9
95.08603	18.6
98.98464	32.5
99.68745	0.9
103.05468	3.4
104.06277	0.9
105.07027	58.4
107.08579	11.2
109.10136	1.1
115.05450	4.4
117.07014	7.1
118.04145	0.9
118.07835	0.7
119.04955	1.2
119.08578	90.0
120.08884	1.6
121.10155	2.2
128.06239	0.9
129.03368	3.4
129.07018	2.4
130.04161	0.9
131.04951	1.9
131.08563	9.7
132.05783	1.0
132.09344	1.2
133.06482	13.5
133.10124	100.0
134.10466	2.8
135.08014	0.9
138.31999	0.7
142.07764	1.6
143.06004	0.8
145.06538	3.5
145.10112	7.0
146.10881	3.3
147.04390	1.2
147.08051	3.3
147.11678	15.0
160.05211	2.8
160.12434	4.6
160.31769	0.9
161.05974	31.2
165.00183	0.8
173.13234	2.6
175.03809	1.4
175.07497	8.3
175.08788	0.8
175.11188	2.8
175.14818	62.3
176.08311	12.4
176.15172	2.8
177.99681	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
51.54762	0.9
53.03931	1.0
55.05504	8.7
67.05495	1.5
67.31680	0.9
69.07064	16.2
70.05589	2.2
70.06001	2.9
79.05486	4.2
79.27314	1.0
81.07047	13.3
83.08604	3.0
89.06173	0.9
91.05475	12.0
93.07022	5.4
93.40598	0.9
95.04967	1.0
95.08610	8.1
98.20821	1.1
98.98453	3.3
105.07027	31.5
107.08592	7.9
109.53853	1.0
117.07005	3.7
119.08579	89.8
120.08907	2.3
121.10130	2.5
127.95744	0.9
129.21005	0.8
131.08562	6.3
132.53648	1.0
133.10126	100.0
134.10454	3.0
145.10139	8.7
147.11690	13.2
159.11723	1.5
160.12408	4.5
170.49223	1.0
173.13237	2.9
175.07565	1.4
175.14824	69.2
176.15143	2.0
177.27956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1117
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03942	1.4
55.01875	1.5
55.05513	6.3
57.03438	22.4
59.05012	0.7
65.03943	2.0
67.05502	14.7
67.42439	0.6
69.03450	2.1
69.07065	5.5
71.58333	1.2
79.05494	9.1
81.03445	0.6
81.07047	6.1
83.04978	0.6
91.05477	29.6
92.04945	0.7
93.07048	4.8
95.04969	17.0
95.05560	1.0
95.08611	2.8
96.82738	0.6
97.02842	0.8
98.98466	51.6
99.80724	0.6
99.91619	0.7
103.05488	2.8
104.06257	1.3
104.83561	0.6
105.07030	36.7
106.07393	0.9
107.04955	10.8
107.08600	2.8
108.49417	0.5
115.05450	5.5
116.06242	1.8
116.99516	2.3
117.07007	10.7
118.07861	1.0
119.04926	1.4
119.08579	76.4
120.08941	2.0
121.06509	6.9
121.10152	1.2
127.04045	0.6
128.06216	4.4
129.06995	9.3
131.04919	7.8
131.08583	4.8
132.05713	6.5
132.09384	1.2
133.06493	37.2
133.10126	28.1
134.06880	0.9
134.10420	1.0
135.08029	3.7
141.07016	1.4
142.07779	13.0
145.06482	15.5
145.10109	5.5
146.07266	49.0
146.53751	0.6
147.08044	90.4
147.11685	18.8
148.08406	2.8
157.04449	0.6
157.07613	1.8
157.10115	9.6
159.08078	1.2
160.05255	3.0
160.08827	11.2
160.12468	1.2
161.09273	0.7
173.09590	0.9
173.13202	0.6
175.07617	7.2
175.11180	100.0
175.14777	18.2
176.06966	0.7
176.11560	3.6
181.90550	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24953	0.4
53.03947	0.9
55.05510	8.0
57.07069	0.8
62.57242	0.5
67.05501	3.4
69.07068	15.6
70.07412	0.4
70.93202	1.4
79.05493	4.7
81.07054	11.9
83.08235	0.4
83.08617	3.3
91.05479	14.5
93.07040	6.2
95.04950	0.6
95.08607	9.2
96.08980	0.4
98.03107	0.4
98.98466	12.0
103.05450	1.4
104.06247	0.6
105.07026	34.7
106.07364	1.0
107.08594	7.4
115.05414	2.2
116.99541	0.6
117.07021	5.0
119.08578	77.9
120.08837	2.8
121.10149	3.0
128.06218	0.9
129.06972	1.1
131.08569	5.2
132.05734	0.7
132.09378	0.7
133.10127	100.0
134.10422	3.2
145.10127	7.7
146.10860	1.8
147.04404	1.6
147.08058	1.5
147.11690	15.5
148.11943	0.6
157.09996	0.6
158.10822	0.6
159.11580	1.1
160.05183	2.0
160.12485	4.9
173.13254	1.9
175.03894	0.7
175.07544	5.2
175.14821	69.6
176.15173	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03946	1.6
53.37257	0.6
55.01881	3.4
55.05507	11.3
57.03442	1.4
57.07070	1.3
59.05006	0.7
59.06141	0.7
61.02938	0.9
65.03938	1.7
67.05508	3.9
69.03417	2.7
69.07066	19.6
69.76152	4.0
70.06597	1.0
72.93772	1.1
79.05494	7.4
81.03422	1.9
81.07059	13.3
83.04988	2.4
83.08614	4.9
85.02924	1.2
87.04449	0.9
90.94861	0.8
91.05477	27.8
91.29145	0.7
92.05827	0.9
93.07047	7.1
95.04970	2.9
95.08603	9.7
97.02883	2.2
98.21461	1.3
98.98466	100.0
99.45190	0.7
103.05450	3.9
104.06276	1.5
105.03402	0.7
105.07027	41.7
106.07343	0.7
107.04945	2.7
107.06124	0.8
107.08605	8.5
108.95834	0.6
111.04453	1.7
115.03923	1.1
115.05441	5.2
115.13106	0.8
116.97214	0.8
116.99519	5.4
117.07030	8.8
119.04930	1.8
119.08578	94.6
120.04474	0.7
120.08097	3.9
120.08955	2.4
121.10139	3.0
127.03924	1.9
128.06195	2.0
129.05525	0.9
129.07036	5.3
130.06522	26.3
130.07500	1.4
131.04984	1.7
131.08578	8.2
132.04443	5.2
132.05690	2.3
132.09334	1.5
132.95840	1.8
133.06424	2.5
133.10126	80.9
134.06090	0.9
134.07133	1.4
134.10498	1.3
135.07935	1.2
135.11708	0.8
139.03902	0.8
142.07744	3.1
145.06508	2.2
145.10138	9.2
146.10793	2.0
147.04434	3.9
147.06352	0.8
147.08025	6.2
147.10655	1.2
147.11703	15.0
148.07555	4.2
148.08658	1.8
150.96880	2.7
157.06454	1.7
157.10120	2.0
158.06038	6.9
160.05186	3.7
160.08858	2.5
160.12511	4.5
173.13272	2.5
175.03856	1.4
175.06071	1.6
175.07504	13.8
175.09818	1.7
175.11230	7.5
175.14821	71.0
176.07083	3.1
176.15178	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.09883	0.6
53.03945	1.1
54.73391	0.6
55.05508	16.3
57.03431	0.6
57.07075	1.7
59.05013	3.5
65.03938	0.8
67.05508	4.0
69.03438	0.9
69.07063	0.7
71.06114	1.2
71.58155	0.8
72.93778	1.0
76.02226	1.7
79.05491	4.1
81.07050	3.7
83.04980	18.2
84.05333	0.6
86.06121	0.8
87.04481	1.1
89.02410	1.6
90.94796	0.8
91.05473	21.9
93.07042	3.3
95.04971	1.0
95.08602	1.4
97.02908	0.5
99.04453	1.0
101.06017	11.4
103.03283	4.1
103.05502	0.8
105.07026	10.5
107.08564	0.9
108.95862	0.6
111.04441	13.0
113.06012	1.6
115.05452	2.9
116.06248	2.4
117.06219	1.2
117.07017	16.8
119.08575	4.6
127.07557	1.5
128.06227	0.9
129.05489	12.7
129.06987	7.4
130.07791	3.1
131.08563	100.0
132.08957	2.2
143.08539	3.4
144.09329	2.9
145.10121	19.6
146.10518	1.0
155.07030	11.0
158.07243	1.6
158.10938	2.8
169.06029	0.5
171.11722	0.9
173.08255	13.1
173.13255	55.4
174.07523	0.8
174.13715	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.9848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48931	3.5
55.93518	3.5
56.96567	49.5
68.05040	2.8
69.92581	18.1
70.95860	35.6
71.43905	3.2
72.93786	55.0
72.99419	2.8
88.85807	2.8
88.96899	5.0
90.90379	36.3
90.94831	19.3
91.90424	26.3
92.90038	49.1
94.47000	3.9
96.04514	3.1
98.21480	4.1
98.98469	15.4
99.86291	3.4
103.47535	50.5
108.95834	6.1
111.98471	16.4
112.48042	66.5
112.48769	5.9
113.48150	4.0
113.96426	18.3
116.61509	3.4
121.48539	10.4
123.98827	7.7
129.99541	12.6
130.97862	3.0
131.97432	39.1
132.93156	3.6
132.95844	41.6
133.92734	12.5
139.46680	5.4
148.47250	58.2
148.97287	3.4
149.94038	14.7
149.96043	3.6
149.97412	4.5
149.98468	25.4
150.94220	20.3
150.96878	100.0
151.93764	59.6
152.70053	3.1
155.97446	13.4
157.47786	12.5
159.98080	11.7
169.94870	10.9
173.98473	22.5
191.99586	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	171.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01612	0.9
51.02383	1.3
53.03941	5.0
55.01872	8.3
55.05518	7.3
57.03437	12.7
57.07071	2.0
60.46468	0.7
65.03941	1.0
67.05504	12.4
69.03438	7.2
69.07066	18.0
70.02945	3.9
71.04994	2.2
71.24542	2.1
72.04520	9.4
72.93781	1.5
78.02494	0.7
79.01858	8.7
79.05504	2.3
81.03419	70.6
81.07053	4.0
82.03752	2.3
83.04991	3.6
83.08621	8.2
84.08141	4.0
85.02898	1.0
85.06525	1.6
86.09708	20.8
86.10242	1.0
87.00813	2.7
89.07162	7.0
93.07052	2.1
95.08603	3.3
96.02128	2.3
97.02888	7.8
97.06516	3.4
98.02392	1.4
103.05507	1.0
103.62525	0.8
104.03458	6.5
107.01318	81.3
107.08585	3.1
108.01646	3.4
109.02882	100.0
109.10157	21.4
110.03199	4.1
111.04470	2.7
111.08100	4.8
112.03973	11.8
112.07600	4.2
115.05443	1.6
116.03459	5.9
116.04957	1.7
125.02353	61.5
125.05981	1.1
125.09646	1.4
126.02715	2.4
127.03920	72.5
127.11198	3.6
128.04256	3.0
128.06223	3.5
129.06978	1.2
131.04890	1.0
135.00774	4.8
135.11713	0.9
137.03427	1.6
139.03920	2.4
141.06998	2.9
142.07813	1.1
143.03391	3.3
143.08604	4.9
147.96896	1.0
153.01831	75.6
153.09201	0.9
154.02164	3.0
156.09340	8.3
157.01237	1.0
171.02890	30.3
171.06738	1.1
171.08060	1.3
171.11646	5.8
171.14941	3.3
172.03156	1.1
172.07478	3.5
172.09705	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04282	0.7
55.01867	2.0
55.05512	20.9
55.18806	0.6
56.05039	1.1
57.03456	1.4
57.07082	4.9
59.05003	3.6
67.05490	5.0
68.05013	1.1
68.05853	0.7
69.03433	3.3
69.07069	33.7
69.95601	3.1
70.02580	1.2
70.02951	19.0
70.03336	1.1
70.07396	1.5
71.04987	1.6
72.04511	2.1
72.08157	1.1
72.93784	2.6
76.02218	0.9
80.02237	0.9
81.03410	3.0
81.07050	2.2
82.03740	4.1
83.04983	22.6
83.81275	0.6
84.04493	1.7
84.08143	17.9
85.06536	1.9
85.22881	0.7
86.09705	100.0
87.00828	15.2
87.04449	1.6
87.10049	2.0
89.07151	0.8
90.94836	2.3
91.05476	2.2
93.07040	0.9
94.06573	2.1
95.04984	1.2
95.08620	4.3
97.06464	0.8
98.01814	0.8
98.02412	6.3
98.06020	0.9
98.21115	1.9
99.04469	0.9
99.77314	0.6
101.06010	12.6
103.03305	2.3
103.05445	1.3
104.03467	33.9
105.01874	1.3
105.07030	1.6
107.01322	1.4
108.01649	6.3
108.95847	0.9
109.02892	2.4
109.06506	0.8
109.10178	1.9
110.03208	6.4
110.10504	2.0
111.04448	12.6
111.08077	1.1
112.03968	52.3
112.07605	15.9
112.08366	1.2
113.04293	1.1
113.06012	3.5
115.05465	1.1
116.03455	24.8
116.04947	4.6
117.07015	1.7
119.08568	1.0
125.02366	0.9
126.02694	4.5
126.05450	0.7
126.09184	0.8
127.03903	1.9
127.07588	2.1
128.04256	5.7
129.05478	14.1
129.06999	1.1
130.05119	0.9
130.08652	1.9
131.04958	2.5
131.08614	3.5
134.04488	1.8
134.99651	1.2
137.05946	1.1
143.08563	1.5
144.08061	1.2
145.06462	1.7
145.10123	2.5
148.97400	0.9
149.97215	0.9
154.02173	5.4
154.08597	1.7
155.07042	13.1
157.09769	1.1
158.10942	1.0
172.03294	2.6
172.07556	5.8
172.09734	11.3
172.11070	1.1
172.16953	1.6
173.05994	1.2
173.08139	13.5
173.13264	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	171.1167
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
53.03949	0.7
55.01855	0.6
55.05510	1.3
55.25096	0.2
57.03441	0.4
59.06150	0.2
63.38025	0.2
65.03971	0.3
66.35373	0.2
67.05511	0.7
69.03426	0.5
69.07077	0.9
70.37438	0.7
71.04994	0.8
72.04510	1.8
73.60762	0.2
79.01867	0.8
79.05494	1.2
81.03411	4.1
81.07067	1.1
83.05004	0.3
83.08621	1.3
85.04060	0.3
87.39567	0.3
89.07132	1.3
91.05499	0.4
93.07034	0.7
95.04958	0.4
95.08595	0.4
97.02918	0.6
97.06545	1.1
98.20763	0.3
105.07038	0.6
107.00607	0.6
107.01299	4.7
107.08595	0.8
109.02871	5.3
110.03233	0.3
111.04440	0.6
111.08163	0.3
115.05466	1.1
116.04993	0.3
119.08556	0.3
125.02338	3.5
125.06079	0.3
127.03931	4.5
128.05287	0.3
128.06215	4.8
129.07016	2.6
130.07889	0.4
135.00702	0.4
139.03976	0.4
141.06976	23.6
142.07848	2.3
143.08553	9.3
145.06450	0.4
146.87450	0.3
153.01820	4.3
153.07027	1.2
155.08543	6.7
156.09332	100.0
157.01292	0.3
157.09671	4.6
171.02890	1.5
171.11673	46.8
172.12036	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0652
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
53.03941	1.1
54.44637	0.3
55.01872	3.6
55.05508	5.1
56.05059	0.3
56.96561	0.9
57.03443	0.4
59.06120	0.4
63.63174	0.3
65.03940	30.1
66.04276	0.4
67.05496	2.4
68.02640	0.6
68.05015	0.4
68.99438	0.7
68.99790	8.9
69.03425	2.8
69.07071	1.0
70.06605	0.5
70.94266	0.7
71.01352	0.6
71.04985	0.8
72.04517	4.9
72.08201	0.3
72.93777	1.3
73.04023	0.4
73.65021	0.3
76.27534	0.3
78.04139	0.3
79.01855	1.7
79.05481	0.8
81.03414	11.7
81.07043	0.5
81.45180	0.3
82.06583	0.3
83.01309	0.6
83.04482	0.6
83.04976	13.0
83.06059	0.4
83.08613	0.9
85.02890	0.5
88.95289	0.5
89.07147	2.7
90.94772	0.4
93.03409	4.6
93.05795	0.3
95.04964	0.9
96.02104	1.9
97.02888	1.7
97.06506	0.5
107.01317	7.0
107.08567	0.6
109.02885	9.6
109.06497	0.4
110.03755	0.4
111.04439	100.0
111.09203	0.8
112.04726	2.0
114.06640	0.6
115.05540	0.4
116.04976	2.1
116.98609	0.7
121.02911	1.3
121.03991	6.5
125.02353	5.7
125.05968	0.6
126.05541	0.4
127.03923	7.5
128.04247	0.9
128.06209	0.8
133.34737	0.3
134.99655	0.5
139.03899	80.9
140.04219	1.8
143.03374	0.5
147.96873	1.9
148.97386	0.5
153.01834	6.6
153.07410	0.4
153.09187	0.4
154.08632	0.4
154.09837	0.4
156.03770	1.4
157.01323	1.1
162.22897	0.4
165.97978	1.7
171.02908	4.2
171.06577	3.6
171.07939	0.5
171.09929	0.5
171.11359	0.4
171.14931	1.3
172.04021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.3
53.00303	1.1
53.03948	6.7
53.30242	0.6
55.01869	5.6
55.05499	2.8
67.05497	0.9
69.03438	6.4
69.07088	1.6
69.76742	3.6
72.04516	4.5
79.01857	10.1
79.05505	1.1
81.03416	80.7
81.07035	0.8
83.04964	0.9
83.08622	1.3
89.07161	3.0
93.07066	1.0
95.08598	0.8
96.02118	2.5
97.02886	6.3
107.01314	85.8
107.08614	1.6
108.01640	1.6
109.02877	100.0
109.10120	0.8
110.03214	2.1
111.04445	1.9
115.05420	0.7
125.02351	63.6
126.02727	0.8
127.03914	78.0
128.04257	1.7
128.06229	3.5
129.06996	1.6
131.95647	0.6
135.00787	7.1
137.03482	1.1
141.07007	2.0
143.03427	2.7
143.08569	4.6
153.01828	76.0
153.09090	0.8
154.02158	1.6
156.09337	7.9
160.95245	0.7
171.02892	27.3
171.07980	1.9
171.11707	5.8
171.14912	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0286
Annotation	Gallate
Peak:m/z	Relative Intensity
50.01607	0.7
51.02385	1.8
51.19365	0.5
53.03946	6.3
54.68151	0.6
55.01862	4.1
55.05496	0.8
57.07066	0.6
58.19793	0.6
69.03428	5.1
69.07056	1.6
72.04511	2.6
79.01850	10.5
81.03413	77.7
82.03745	1.4
83.04976	0.8
83.08616	1.2
89.07149	2.6
93.05376	0.6
96.02123	1.6
97.02886	6.4
107.01310	81.7
108.01620	1.4
109.02874	100.0
110.03217	2.2
125.02347	60.5
126.02689	2.1
127.03909	78.3
128.04234	1.6
128.06219	1.7
129.07002	1.2
135.00745	5.5
137.03456	1.7
141.07008	1.9
142.07761	1.3
143.03386	3.0
143.08565	3.6
153.01822	78.2
154.02185	2.1
156.09309	5.9
171.02878	29.2
171.11673	3.3
171.14903	1.3
172.03168	0.8
192.05447	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0812
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
51.02383	0.1
52.01291	0.1
53.03953	0.3
55.01874	0.4
55.05516	0.2
56.96572	0.7
58.99311	0.1
63.93080	0.1
65.03926	0.3
68.05021	0.2
70.52963	0.5
77.03926	0.2
79.05492	2.0
80.05013	0.4
81.03403	0.7
81.05802	1.1
82.06573	0.3
84.04490	0.4
86.01715	0.1
94.06553	0.4
95.04967	0.6
96.08121	2.1
97.06583	0.2
98.21503	0.2
106.06544	1.8
107.01319	0.6
109.02889	0.8
109.05233	0.1
110.06076	0.2
119.01892	0.2
122.06050	0.2
123.06796	1.2
124.07585	7.5
125.02364	0.4
125.10729	0.2
127.03909	0.6
134.06006	88.5
135.06361	2.3
137.04721	0.4
139.00316	0.2
142.08658	0.1
146.99716	0.2
150.05487	0.3
152.07054	100.0
153.01817	0.6
153.07417	2.6
157.01299	0.2
164.98341	0.2
168.06540	0.2
170.08116	8.8
171.02788	0.2
171.08531	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88773	0.3
53.03938	0.7
55.01880	2.4
55.05510	0.8
56.05029	1.0
56.96566	9.4
57.03423	1.4
57.24642	0.3
58.06601	0.3
58.98412	0.3
61.02919	0.9
65.03935	1.3
67.05498	0.4
68.05027	0.6
68.99787	0.6
69.03428	1.5
69.07049	0.4
69.68613	2.1
70.06599	0.6
71.05001	0.3
71.95260	0.5
72.04522	0.6
72.08134	0.5
72.93784	0.3
73.02906	1.5
74.97610	0.8
77.00865	0.4
79.05495	2.4
80.05019	0.6
81.03445	2.5
81.05796	1.2
82.06586	1.5
83.04977	0.7
83.06090	0.4
84.04507	2.5
84.08139	0.3
85.02916	1.5
86.03690	0.5
87.04457	0.5
93.05806	0.3
94.06590	0.7
94.62934	0.3
95.04986	1.0
95.06119	0.5
96.04509	0.5
96.06880	0.7
96.08131	4.3
97.02876	0.9
97.06609	0.3
97.07689	0.4
98.01267	0.6
98.06083	0.4
98.21497	0.4
98.97586	3.2
100.02517	0.6
101.00887	0.9
103.02451	2.2
104.01289	0.3
106.06548	1.5
107.00206	0.4
107.01317	1.1
108.08105	0.3
109.02880	2.6
110.01277	0.6
110.06055	0.8
110.07086	0.4
110.97565	1.7
111.00832	0.5
111.04451	2.3
114.05519	2.3
116.98616	2.1
118.01048	0.4
118.03555	0.6
119.01915	5.9
120.02054	1.1
121.01669	1.2
121.03490	1.7
123.06811	1.0
124.07593	9.7
124.08630	0.8
125.02365	0.7
125.07124	2.0
125.07899	0.4
127.03910	1.8
128.02467	0.4
128.04539	0.6
128.98604	4.1
131.01878	1.0
133.01695	0.3
133.03453	1.0
134.06017	82.2
134.99675	1.5
135.06366	2.4
136.06184	0.5
137.03001	1.5
137.04691	0.3
139.00266	2.4
139.01256	0.4
139.03911	2.0
139.52959	0.3
142.04968	1.9
142.08630	0.7
145.03456	0.8
146.03601	1.6
146.96046	0.3
146.99649	7.8
147.01346	4.4
147.03244	0.7
147.05064	0.9
149.01254	0.6
152.07065	100.0
153.01828	1.1
153.07440	3.0
155.03383	0.8
157.01312	3.6
158.06645	0.3
163.02689	0.3
163.04506	0.3
165.00714	2.1
165.02359	0.6
165.06093	0.3
170.03021	3.2
170.05806	0.6
170.08133	10.1
170.09529	0.9
170.11649	0.5
170.12973	0.4
171.02953	0.9
171.07707	0.6
171.11252	0.3
188.03908	0.5
189.00769	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1222
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03937	4.1
55.01862	13.2
55.05511	19.5
55.86142	1.7
57.03434	4.0
57.07053	3.9
57.41979	1.6
65.03919	4.0
67.05502	74.8
69.03426	43.5
69.07057	6.6
70.06627	1.8
71.01363	2.5
71.04982	12.9
71.57008	1.8
71.57413	2.7
79.05061	2.9
79.05490	33.4
81.03405	5.7
81.07053	100.0
82.06579	1.8
82.07417	2.9
83.04982	37.0
84.08136	1.8
85.02901	3.8
85.06532	4.7
85.97472	1.6
91.05472	33.1
93.07049	14.3
95.04961	19.9
95.08593	14.2
97.06517	18.4
99.04478	2.1
105.07021	34.9
107.08576	22.8
109.02867	5.9
109.06515	35.0
109.10144	52.9
111.00790	3.5
111.04440	2.0
111.09219	2.4
123.04441	3.1
123.08066	10.5
123.11685	7.9
126.03120	6.0
127.03856	1.9
127.07544	2.1
133.10130	9.9
141.05426	13.9
141.06967	7.9
151.07417	1.9
151.11188	10.6
152.07104	3.3
153.07034	2.3
154.07755	2.5
155.03433	2.2
169.04970	3.7
169.07591	5.7
169.10069	7.1
169.12199	9.6
170.08005	1.7
170.09566	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	169.1223
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03941	4.2
55.01873	13.2
55.05510	16.3
56.05849	1.3
56.96566	2.5
57.00206	1.2
57.03429	5.6
57.07065	5.3
59.06114	1.3
65.03938	8.7
67.05502	69.3
68.99776	5.2
69.03428	66.2
69.07063	10.8
70.06580	1.7
71.01353	5.8
71.04991	15.9
73.06527	1.3
79.05147	1.2
79.05489	32.6
81.03419	11.6
81.07056	100.0
82.07366	2.3
83.04977	26.2
83.06094	2.3
84.93497	1.3
85.02891	5.4
85.06544	11.0
91.05477	24.6
93.05784	3.2
93.07050	16.9
95.04958	19.6
95.08604	16.2
96.08121	1.9
97.02914	1.4
97.06536	16.0
99.04454	4.9
105.07021	25.9
107.08599	21.6
109.02879	18.4
109.06517	32.0
109.07655	2.0
109.10153	47.0
110.06027	1.6
110.07098	1.9
111.00790	16.5
111.04418	6.7
111.08067	8.4
111.09194	4.0
113.02351	1.4
113.06023	4.0
115.05460	1.7
119.01920	1.7
121.10201	1.4
123.04414	6.5
123.08052	11.6
123.11710	10.0
124.07576	3.4
125.06005	2.1
125.09579	2.3
126.03127	21.2
127.03894	5.1
127.07535	3.1
133.02798	2.3
133.10133	10.7
134.05991	3.9
141.05460	53.9
141.06960	10.0
142.05792	3.0
142.79074	1.4
151.03911	3.6
151.11177	11.1
152.07089	5.6
153.06990	3.5
154.02661	2.4
154.07764	11.5
155.03395	4.3
167.08826	1.7
168.99512	1.3
169.01299	2.2
169.04984	13.9
169.06384	2.3
169.07581	8.3
169.08762	2.8
169.10074	16.6
169.12221	13.0
170.05734	2.2
170.08281	2.2
170.09653	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	169.1223
Annotation	cis-2-Methyl-5-isopropylhexa-2,5-dienoic acid
Peak:m/z	Relative Intensity
53.03947	9.7
55.01862	2.7
55.05511	16.6
56.96548	0.9
57.03431	3.0
57.07074	7.0
59.04995	0.8
60.47155	0.7
62.87535	0.8
65.03939	4.1
67.05502	47.3
69.03429	3.2
69.07068	21.8
71.01359	0.9
71.04986	9.7
71.08613	2.2
73.02922	2.4
79.05487	14.2
81.03416	23.9
81.07054	100.0
82.07401	2.1
83.04967	7.1
83.08609	5.8
85.02901	1.2
85.06535	1.6
87.04475	0.9
91.05483	3.3
93.05812	1.3
93.07047	3.3
95.04963	20.5
95.08598	7.0
98.20782	1.8
99.04459	11.5
101.09634	1.3
105.07024	3.0
107.08599	2.4
109.02876	3.0
109.06523	9.3
109.10162	5.7
111.00793	1.8
111.04440	1.6
113.00029	2.7
113.06015	1.2
114.09820	0.9
123.04478	1.6
123.08068	1.2
123.11709	13.6
124.07522	1.1
125.53951	0.7
126.03127	3.5
127.03924	1.3
133.10156	1.7
134.05959	0.9
141.05482	6.3
141.07010	1.7
151.03891	1.0
151.11183	2.4
152.07062	1.5
152.82993	0.8
169.04974	2.6
169.10086	2.5
170.08282	1.5
170.09669	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	169.1222
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
53.03934	3.6
55.01856	2.4
55.05507	7.2
57.03419	1.1
57.07061	3.1
58.07264	1.1
65.03921	1.5
67.05501	46.8
69.03415	1.9
69.07059	8.0
71.04980	2.9
73.02914	1.4
79.05482	9.7
79.57098	1.0
81.03413	6.3
81.07050	100.0
82.07375	1.9
83.04964	1.7
83.08619	2.4
85.06543	1.4
91.05431	1.1
93.07024	2.6
95.04950	9.1
95.08616	5.6
99.04449	3.2
99.71578	1.1
105.07049	1.2
107.08566	1.9
109.02853	1.5
109.06512	4.5
109.10162	6.0
111.00699	1.0
120.73253	1.0
123.08084	1.2
123.11698	42.9
124.12067	1.2
133.10107	1.9
134.01976	1.0
141.05403	2.0
151.11186	3.7
163.76019	1.0
169.04965	1.1
169.10056	2.5
169.12241	2.6
170.09599	1.3
184.55580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0495
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
50.68066	0.8
53.03929	2.2
55.01860	2.7
55.05511	4.1
56.05032	1.5
56.96561	1.5
57.03421	2.3
57.07082	0.9
59.06106	0.9
65.03924	3.5
67.01569	0.9
67.01864	8.1
67.05499	13.9
68.05016	0.9
68.99779	7.9
69.03422	2.3
69.07041	1.8
69.79966	1.6
69.80374	3.2
70.06570	1.9
71.01329	1.1
71.04983	6.4
71.07362	0.8
72.08138	1.4
77.94726	0.6
79.05494	5.1
81.03071	0.7
81.03425	9.1
81.04530	1.0
81.07051	17.9
82.06594	1.1
83.04973	3.6
83.06106	0.8
83.08609	0.9
84.08143	2.0
85.02898	3.2
85.06534	1.8
85.07639	0.9
89.93592	0.9
91.05476	2.7
93.05782	1.1
93.07040	3.3
94.06578	1.5
95.01315	1.8
95.04966	14.4
95.08608	5.3
96.06875	0.9
97.02858	1.6
97.06523	3.3
98.03678	2.0
99.04449	3.8
105.07014	2.3
107.08591	1.8
109.02871	15.8
109.06525	4.1
109.07654	2.2
109.10124	4.8
110.06016	1.5
111.00800	14.1
111.04459	5.6
111.08058	4.0
111.09200	5.7
112.63956	0.7
113.02380	1.8
113.06001	0.7
123.04424	51.3
123.08091	2.7
123.11713	4.2
124.04787	1.3
124.07575	1.1
124.08752	0.8
125.05990	1.3
126.03131	18.7
127.03915	16.5
133.02838	1.4
134.06013	1.9
141.05452	44.5
141.07158	1.8
142.05769	1.4
151.03897	62.8
151.11185	1.8
152.04248	2.9
152.07065	2.7
154.02609	2.5
155.03372	3.4
169.01317	5.1
169.04961	100.0
169.12254	1.4
170.05551	3.4
170.08121	1.4
170.09589	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0495
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
51.20815	0.4
51.46511	0.5
53.03934	2.0
53.10584	0.4
55.01869	4.6
55.05514	4.0
56.05030	1.4
56.96562	1.5
57.03424	1.7
57.07077	1.0
58.06602	0.5
59.06120	2.4
60.04508	0.6
64.64339	0.4
65.03934	3.6
67.01863	7.6
67.05177	0.7
67.05508	13.3
68.05024	1.0
68.99785	8.2
69.03430	2.4
69.07062	1.9
69.53062	0.5
70.06586	2.9
71.01353	0.9
71.04993	5.7
71.06912	0.8
71.56482	0.4
71.56956	0.5
72.04489	0.6
72.08146	1.8
73.02900	0.9
74.17262	0.5
77.03929	0.7
79.05484	6.7
81.03413	9.6
81.04514	0.6
81.07058	15.5
82.06561	0.9
83.04983	3.6
83.06090	1.5
83.08631	0.6
84.04509	0.6
84.08137	3.5
85.02906	4.6
85.06544	2.1
85.07644	0.6
86.06046	0.8
87.04470	0.6
91.05487	3.4
92.05038	0.5
93.03406	0.5
93.05785	1.3
93.07034	2.8
94.06532	1.2
95.01337	1.6
95.04967	14.1
95.08600	4.1
96.08132	1.1
97.02885	1.3
97.06530	2.8
97.07662	1.0
98.03697	2.9
98.07191	1.1
99.04441	2.5
99.08074	0.7
105.07029	3.5
107.04941	0.8
107.08593	2.3
108.02119	0.7
109.02878	16.9
109.06514	5.0
109.07640	2.7
109.10155	3.1
110.06037	1.5
110.07182	1.0
111.00803	13.5
111.04440	4.6
111.05595	0.9
111.08090	4.3
111.09203	9.3
113.02357	2.1
113.06014	0.8
115.05447	1.1
123.00766	0.6
123.04426	49.7
123.08064	3.5
123.09033	0.8
123.11703	1.9
124.01571	0.6
124.04794	1.5
124.07578	1.6
124.08643	0.6
125.04975	0.5
125.06012	1.8
125.10741	0.8
126.03134	18.2
126.10322	0.8
127.03923	17.0
127.07580	1.1
133.02824	1.3
133.10135	1.3
134.05992	1.4
138.06694	0.7
141.05463	44.9
141.07166	1.3
142.05783	0.8
151.03900	63.7
151.07512	1.5
151.09833	0.6
151.11186	2.3
152.04338	1.6
152.07065	2.8
152.08197	1.1
152.11845	0.9
153.01851	0.6
154.02605	2.0
155.03394	3.2
163.97769	0.9
169.01341	5.3
169.04961	100.0
169.08652	1.9
169.12193	0.9
169.14499	1.0
170.05592	4.0
170.08142	1.5
170.09634	2.2
181.98730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71113	0.6
53.03924	0.7
55.05497	1.1
56.96563	11.5
57.07060	0.8
58.99858	1.6
62.00409	0.8
67.05494	1.3
67.92503	1.4
68.05024	3.1
69.03414	1.0
69.04548	1.3
69.07054	1.6
69.61480	4.3
70.06595	0.8
74.97592	0.8
75.67181	0.6
77.00886	1.5
77.31158	0.6
79.00645	1.1
79.05497	0.9
80.05011	0.6
81.03422	1.3
81.04549	0.8
81.07034	1.0
82.06583	1.2
82.94849	1.1
83.06106	0.9
84.04499	1.1
84.08141	1.0
84.96042	0.8
84.99615	1.1
86.00935	1.5
86.06054	0.8
94.06549	1.1
95.01933	1.3
95.04959	1.2
97.07653	1.8
97.50739	0.6
98.97614	1.1
100.02480	5.0
101.00867	2.6
101.02517	0.9
102.02230	1.7
102.04024	1.9
103.00624	6.4
103.02464	1.1
104.00967	2.8
104.01969	4.3
105.00335	0.7
109.02877	1.0
109.07651	3.7
110.06014	1.0
111.09215	1.2
115.01209	1.0
115.02422	1.1
116.98637	2.0
117.02168	2.4
117.03954	0.6
118.03510	6.8
119.01915	36.8
120.01997	4.0
120.03243	2.1
120.05061	0.7
120.60529	0.6
121.01662	100.0
121.02289	4.7
121.99384	4.0
122.01962	41.2
122.07162	0.7
123.02083	3.6
123.09154	1.1
126.02213	1.6
126.03160	1.0
126.05579	0.6
126.10249	1.0
127.02511	2.6
127.03537	1.2
131.01918	4.0
132.02011	2.8
132.05093	0.9
133.01556	0.7
133.03439	3.7
134.99666	2.3
135.03206	2.9
136.04507	0.8
137.02957	21.0
137.04674	1.6
138.03064	2.9
138.04106	0.6
139.02686	66.6
140.00450	4.9
140.03012	29.3
141.03130	1.9
141.05461	3.5
142.03488	4.7
143.03711	1.5
144.03221	30.0
144.04961	9.5
144.99863	1.1
145.00977	3.0
145.03543	61.1
146.01128	0.8
146.02812	4.9
147.05031	1.0
149.02867	0.8
153.00778	1.2
156.05075	1.3
157.03363	0.7
159.06172	0.8
160.04562	2.4
161.04836	0.9
162.04309	16.1
162.06133	6.1
162.95905	1.0
162.99260	0.8
163.01764	1.1
163.02696	6.6
163.04623	30.9
163.08182	0.8
163.98807	1.0
164.04100	2.8
167.04852	2.4
168.05101	9.5
168.06447	1.0
168.11288	3.1
169.04665	3.7
169.07108	1.2
174.04474	1.2
177.00983	1.3
181.03798	4.1
183.43689	0.7
186.02975	0.9
186.04543	1.2
186.06082	5.6
186.99176	0.8
187.02779	1.0
187.05739	3.5
187.08170	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01870	2.7
55.05512	2.0
56.05032	2.5
56.94303	0.7
56.96561	100.0
57.03434	3.3
57.85121	0.5
58.06595	0.9
59.06134	0.7
61.02926	2.1
62.45552	0.5
65.03923	1.6
67.01846	0.6
67.05488	3.7
67.92515	1.5
68.05025	2.9
68.99793	0.9
69.03430	5.5
69.07067	3.5
70.02950	0.8
70.06581	2.8
70.38827	2.3
70.98118	2.1
71.01357	2.2
71.04991	1.6
71.95250	0.9
72.93784	1.5
73.02914	2.0
73.06577	0.6
74.97598	6.7
78.04700	1.1
79.05048	1.8
79.05497	1.9
80.05014	2.9
80.05828	1.8
81.03415	9.9
81.04529	1.0
81.07055	2.2
81.99988	4.9
82.06572	2.9
82.94827	3.6
83.01322	0.6
83.04981	1.3
83.06094	1.6
84.01536	0.9
84.04491	2.0
84.08144	1.5
84.96019	3.2
85.02893	6.5
85.07672	1.2
86.06069	1.7
87.04450	0.8
88.99147	2.0
90.94836	0.8
91.00513	48.2
91.50683	1.7
92.01295	0.7
92.04987	0.7
92.98658	1.8
93.50799	0.8
93.99999	0.8
94.06557	6.6
94.07174	0.6
94.07388	0.8
95.01323	1.1
95.04964	3.9
95.06107	1.3
96.04514	1.2
96.05293	0.6
96.08128	1.3
97.02898	5.9
97.06480	0.8
97.07649	2.5
97.99184	0.8
98.01299	0.9
98.06068	3.0
98.97557	4.1
99.04445	2.4
100.01034	29.3
100.51212	1.0
100.99151	4.1
102.51296	2.7
102.97058	1.3
103.00462	5.0
104.01289	1.1
107.00176	1.3
108.04486	2.3
108.05334	0.9
108.08899	0.6
109.01575	0.9
109.02869	16.0
109.06493	1.3
109.07642	7.2
110.01311	0.7
110.06062	2.9
110.08460	1.0
110.97583	1.9
111.00809	2.4
111.04427	2.0
111.05538	0.9
111.09177	1.3
111.51815	1.7
112.01016	45.5
112.03977	1.3
112.07616	1.5
112.51179	2.1
113.02365	9.5
114.51201	0.8
115.00673	0.8
116.98635	3.8
117.00198	0.6
119.00184	6.6
119.01842	2.5
121.01534	93.6
121.51711	6.1
122.06023	6.7
122.06960	1.3
123.04438	8.6
123.05419	1.4
123.09155	1.5
123.51791	7.3
123.97462	2.2
124.04750	2.6
124.07580	0.9
125.02321	1.0
125.05536	1.7
125.07104	1.7
126.00755	7.4
126.03117	3.6
126.04672	0.7
126.05502	4.1
126.06345	1.1
126.10243	1.2
126.93729	0.9
127.03912	5.6
127.08669	1.6
128.02382	0.7
128.98589	4.6
130.02058	1.8
130.96492	1.2
131.00107	0.7
132.04468	0.9
132.52319	9.7
133.01733	1.7
133.02722	0.8
134.99637	3.7
137.01208	2.1
138.10242	1.4
140.03398	2.7
140.07057	2.8
141.05452	5.5
141.06458	1.1
144.94785	1.2
144.95816	1.8
144.98080	7.0
145.01762	1.0
145.03452	1.3
146.99623	6.7
147.01247	2.9
147.03123	1.2
148.97589	2.2
149.01241	1.0
149.02835	0.8
150.05479	9.7
150.06593	0.8
150.09128	0.9
150.10254	1.4
151.02756	0.8
151.03888	2.4
151.04953	0.7
151.08621	2.4
153.00644	0.7
154.04977	6.5
158.52109	0.8
161.01161	1.6
161.04846	2.9
162.95854	2.1
162.96974	1.6
162.99133	23.9
163.02798	1.9
163.97702	0.8
163.99413	0.7
165.00690	1.4
166.98598	2.8
168.02824	1.1
168.06558	17.9
168.07602	5.0
168.10097	1.4
168.11308	5.5
169.01311	3.1
169.04922	2.0
170.01312	0.7
173.04842	1.6
174.04332	1.5
177.00681	1.3
177.05946	0.8
179.02174	1.2
179.05905	1.8
181.00186	16.8
185.97533	0.7
186.00673	0.8
189.00716	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1066
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03929	5.3
55.01857	5.7
55.05518	14.0
57.03425	7.1
65.03912	4.3
67.05181	2.3
67.05510	26.2
69.03418	8.4
69.07056	13.3
71.14225	5.6
73.02928	2.8
79.05492	100.0
81.07058	57.6
83.04980	15.5
91.05486	21.3
92.49075	2.0
93.07040	95.0
94.07356	2.6
95.04960	8.4
95.08582	10.6
97.02896	6.5
97.06548	11.8
103.05431	2.6
105.04530	2.0
105.07038	19.8
107.04956	37.0
107.08590	36.5
109.06530	4.5
111.04414	5.9
121.06495	3.7
121.10146	90.8
123.08044	4.1
125.05966	15.9
131.08577	18.0
139.11169	3.1
149.09625	47.7
167.10687	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1066
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03934	7.0
55.01870	7.4
55.05506	15.5
57.03426	6.2
57.19847	2.1
59.88466	2.5
65.03928	6.5
67.05226	2.0
67.05505	24.5
69.03413	8.7
69.07072	16.8
71.04975	2.5
71.57393	5.1
71.87636	1.9
78.04729	3.0
79.05490	100.0
81.03399	2.2
81.06590	2.9
81.07055	53.5
83.04987	16.2
83.93016	2.0
91.05464	26.9
93.03382	2.3
93.07040	89.3
93.07636	4.5
94.07330	2.3
95.04947	11.8
95.08614	10.1
97.02892	4.5
97.06519	13.6
105.07024	17.2
107.04945	33.7
107.08590	55.8
109.02879	4.2
109.06508	4.3
111.04438	8.4
111.08096	2.7
121.01669	12.9
121.02864	3.2
121.06509	6.0
121.10138	86.4
122.06001	3.3
122.10493	3.2
123.04422	3.7
123.08047	6.8
123.11723	4.8
124.05210	4.0
125.05994	16.3
129.06958	2.6
131.08575	15.2
139.02687	9.4
139.07500	3.0
139.11165	8.2
144.03252	6.3
149.02350	10.1
149.05965	3.8
149.08543	3.9
149.09625	43.5
157.00496	2.1
162.04272	3.4
167.03421	5.6
167.07025	15.2
167.08376	4.9
167.10638	26.8
168.02905	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03935	5.4
55.01869	5.5
55.05511	16.1
57.03437	3.4
65.03932	4.0
67.05509	24.5
69.03419	5.1
69.07073	12.3
71.04977	1.1
71.13512	2.9
73.02921	2.4
75.13108	1.1
75.26948	1.1
77.03925	1.7
79.05497	100.0
80.05796	1.9
81.07061	54.7
83.04983	14.6
87.54918	1.4
91.05473	15.9
93.03407	1.6
93.07047	88.8
94.07429	1.6
95.04979	11.0
95.08602	9.8
95.20531	1.0
97.02895	3.3
97.06541	12.2
99.04467	1.6
103.05508	1.6
105.07037	14.5
107.04951	33.1
107.08612	15.5
109.06509	1.6
111.04436	7.2
116.06228	1.9
119.08592	1.7
121.06489	3.7
121.10147	69.4
123.07972	2.7
123.11686	2.5
125.05988	13.5
125.09644	2.8
131.08578	9.6
139.11166	4.8
149.09622	34.0
166.43283	1.1
167.10704	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	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03947	6.0
55.01874	7.2
55.05513	13.3
56.96563	2.5
57.03428	5.1
57.07066	1.2
59.04993	1.6
64.33143	1.4
65.03938	6.6
67.05504	23.2
69.03437	8.8
69.07065	15.7
71.05006	1.9
71.58296	2.3
78.04704	3.5
79.05492	89.0
81.03416	2.9
81.07054	53.3
82.07370	1.4
83.04980	16.3
83.08612	2.6
84.96015	3.3
85.06504	1.2
90.46250	1.2
91.05470	19.4
93.03401	3.2
93.07043	100.0
94.04110	1.2
94.07361	1.6
95.04984	10.5
95.08589	9.2
97.02895	4.1
97.06537	15.7
99.04433	1.4
103.05507	1.7
105.04526	2.0
105.07036	13.9
107.04952	28.7
107.08598	22.6
109.02934	2.6
109.06519	4.9
111.04446	8.9
111.08076	6.4
119.08564	2.4
120.98167	1.4
121.01670	14.2
121.02420	1.7
121.06496	8.7
121.10146	94.2
122.06020	1.6
122.10467	1.5
123.04420	8.0
123.08072	4.1
123.11695	3.0
124.03928	1.3
124.05211	3.1
125.06006	18.1
125.09608	3.0
126.05491	2.1
131.08577	15.1
138.03081	2.1
139.02719	8.7
139.03735	1.9
139.07529	3.5
139.11172	7.5
140.07007	1.3
143.96748	2.2
144.03215	7.1
149.02347	5.0
149.09610	44.2
149.13283	1.6
150.10017	1.6
162.04292	3.8
167.03391	4.0
167.04749	1.5
167.07036	16.3
167.10678	22.0
167.14328	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	167.0703
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02371	0.5
52.03154	0.7
53.03939	1.4
55.01860	0.4
55.05502	1.2
57.03426	0.4
61.00550	0.4
61.57152	0.3
64.43281	0.4
65.03933	1.4
66.04714	1.5
67.01851	0.4
67.05486	1.4
68.99781	0.7
69.03422	0.9
69.07056	0.4
71.04557	0.8
71.04929	0.9
77.03941	0.7
78.04710	23.3
79.05068	0.6
79.05488	11.4
81.03398	2.2
81.07050	2.3
83.04971	1.0
85.02904	0.7
91.05486	1.9
92.02625	0.7
93.03392	1.0
93.07027	2.4
94.04169	1.8
94.06613	0.4
95.04967	6.4
95.08604	0.7
96.05736	1.3
97.06510	1.1
105.03408	1.9
105.04514	1.0
105.06997	1.0
106.04178	8.7
107.04964	8.3
107.08567	2.0
109.02864	2.4
109.06488	1.2
110.07196	0.6
111.04410	1.0
111.08087	0.7
121.02852	0.8
121.06493	1.4
121.10138	1.9
122.03618	3.1
123.04424	34.3
124.05224	12.3
125.05948	1.0
134.03613	1.7
135.04424	1.4
137.02286	0.8
137.05989	1.2
138.03116	0.9
139.07553	0.4
149.02393	0.9
149.05977	0.4
149.09605	0.8
149.13187	0.6
150.03122	0.6
150.09221	0.5
151.03894	6.9
152.04674	8.2
165.05396	0.6
167.07031	100.0
168.04176	0.8
168.07417	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	167.0703
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02388	0.3
52.03154	0.5
53.03928	1.1
55.05499	0.3
65.03934	1.1
66.04719	1.4
67.05505	1.1
67.98532	0.3
68.99782	0.3
69.03439	0.5
69.07063	0.7
70.06580	0.4
71.04974	0.3
71.46047	0.7
77.03932	0.6
78.04713	23.7
79.05062	0.6
79.05494	4.8
81.03419	1.7
81.07055	1.0
83.04982	0.7
84.04395	0.3
85.02919	0.6
91.05484	1.2
92.02607	0.6
93.03380	0.8
93.07030	1.4
94.04200	1.6
95.04962	4.3
96.05751	1.6
97.06568	0.3
97.33280	0.3
105.03420	1.9
105.04519	0.4
105.07010	0.4
106.04174	8.1
107.04988	1.8
107.08598	0.8
109.02891	2.4
109.07617	0.6
110.06044	0.4
111.04404	0.6
120.02090	0.4
121.01695	0.3
121.02850	0.9
121.06492	1.0
121.10169	0.7
122.03645	2.2
123.04430	35.5
124.05235	9.9
134.03625	1.6
135.04463	1.4
137.02281	0.7
137.05991	1.5
138.03093	1.0
139.07469	0.5
147.31314	0.3
149.02348	0.8
150.10274	0.7
151.03908	7.6
152.04697	7.6
161.38800	0.3
162.30838	0.3
165.05467	0.4
167.07040	100.0
168.04192	0.6
168.07405	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	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.45238	0.4
53.00287	0.4
53.03945	3.2
55.01869	2.3
55.05496	1.2
56.05013	0.9
56.96553	0.7
57.03427	0.5
59.06112	0.7
59.96085	0.4
65.03932	1.1
66.04713	0.8
67.05494	1.5
68.05016	0.8
68.99786	0.5
69.03408	1.4
69.07057	0.8
69.54841	2.3
69.55246	0.8
70.06570	0.7
71.04942	0.3
72.08133	0.6
73.02909	0.5
78.04707	6.2
79.05488	15.9
80.05842	0.5
81.03424	1.9
81.07047	3.6
82.06567	1.2
83.04949	1.8
83.06097	1.1
85.02899	0.5
85.64094	0.4
91.04906	0.5
91.05477	12.1
93.07040	17.8
94.04179	0.4
95.04961	8.2
95.06022	0.4
95.08597	0.9
97.02871	0.8
97.06517	1.4
98.21487	0.5
98.97576	0.5
103.05474	1.3
105.03409	0.6
105.04489	1.2
105.07027	0.9
105.55733	0.4
106.04195	2.5
107.04952	4.3
107.08571	2.5
109.02867	1.1
109.06516	1.2
109.07638	3.0
109.10155	0.5
110.07166	0.5
110.08422	1.6
111.04442	1.4
111.05573	0.4
111.08052	0.6
111.09203	1.6
111.17028	0.4
121.01646	0.6
121.01933	0.7
121.02861	7.2
121.06498	12.8
121.10142	1.8
122.03680	0.5
122.07010	0.6
123.03569	0.8
123.04423	12.9
123.08084	0.9
124.05204	3.5
124.08733	0.8
125.06009	0.7
125.08267	0.5
125.09618	0.4
126.06531	0.4
134.03589	0.6
134.99580	0.7
135.04388	1.1
137.05945	0.6
139.03870	0.5
139.07515	1.2
149.02328	0.9
149.04984	0.9
149.06000	3.0
149.09570	0.9
150.10239	2.8
151.03882	2.2
152.04665	2.0
167.07031	100.0
168.04123	0.4
168.07437	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	Apocynin
Peak:m/z	Relative Intensity
50.46857	0.3
51.02369	0.4
53.03949	2.5
54.93833	0.4
55.01868	4.0
55.05505	2.1
55.94611	2.9
56.05024	0.6
56.94303	0.5
56.96565	38.5
57.03436	6.2
58.99598	0.6
58.99859	2.3
59.04994	0.5
61.01156	2.8
61.02928	2.3
65.03942	2.3
66.04726	1.6
67.05502	3.4
67.92506	1.3
68.99786	0.7
69.03432	7.9
69.07060	1.8
70.06593	1.2
70.63604	0.8
70.63990	0.7
70.95876	0.8
70.98124	0.7
70.99848	0.7
71.01352	1.6
71.04992	2.0
71.94093	1.4
71.95257	0.9
72.93802	1.6
72.96033	0.5
73.02919	8.0
73.03320	0.3
73.06560	0.7
73.95659	1.0
74.02444	0.4
74.06085	3.8
74.97614	1.5
75.01904	0.5
77.00929	3.6
77.03922	0.5
78.04714	20.0
79.05492	10.2
80.05019	0.4
81.01893	0.7
81.03419	5.9
81.04536	3.0
81.07054	2.8
81.95084	0.7
81.99991	0.9
82.06586	0.8
82.94854	2.5
83.00787	0.6
83.01321	0.4
83.04984	2.7
84.01574	0.5
84.08152	0.5
84.96039	5.6
84.99612	0.9
85.02907	7.6
85.06534	0.6
86.03689	1.2
87.02689	2.6
87.04456	0.7
88.02676	0.9
88.99148	0.5
89.95160	1.1
90.01534	0.9
90.94833	0.9
91.00525	5.0
91.05479	4.7
92.01283	0.8
93.03414	1.6
93.07047	6.8
94.04182	0.9
94.06566	1.2
95.00731	0.7
95.01915	1.3
95.02538	0.5
95.04975	7.0
95.06098	1.1
95.08613	0.6
96.01528	0.6
96.04519	0.5
96.05216	0.4
96.05753	1.0
97.02882	6.7
97.06526	1.4
97.07645	0.4
97.96792	0.6
97.99205	0.4
98.01278	1.2
98.03164	0.6
98.06047	0.9
98.97585	5.1
99.04483	1.8
100.01044	3.5
100.02514	1.1
100.95872	0.8
100.99140	1.1
101.00867	3.5
101.01620	1.2
101.02379	0.5
102.00970	0.5
102.02416	2.9
102.51346	0.6
102.52429	0.5
102.97064	1.0
103.00623	5.1
103.01319	0.8
103.02460	3.4
103.03922	0.5
103.05482	1.0
103.54781	0.5
104.01298	1.0
104.02031	0.8
104.05772	0.6
105.00363	1.2
105.02097	0.9
105.03777	6.9
105.04475	0.4
105.07021	0.5
106.04189	6.1
106.06590	0.5
107.01682	0.9
107.04970	4.4
107.08577	1.8
107.63876	0.4
108.02385	1.4
108.04454	0.6
109.01352	0.4
109.02851	5.3
109.06528	1.2
109.07635	0.9
110.01291	2.2
110.02163	2.1
110.02958	0.5
110.06036	0.7
110.52221	0.6
110.97543	0.7
111.02148	0.8
111.02930	3.6
111.04438	1.9
111.08081	0.9
111.52958	0.6
111.53651	0.4
112.01029	8.4
112.07597	1.6
112.85281	0.4
112.96704	0.5
113.00874	2.5
113.02403	1.0
115.02429	2.6
115.97813	0.4
116.02193	1.4
116.98619	6.0
117.02129	0.6
117.02916	0.7
117.03991	0.7
118.03531	1.0
119.00211	1.8
119.01907	27.9
120.01997	4.3
120.03335	2.0
120.08111	0.9
120.98101	1.1
121.01649	63.6
121.06512	5.5
121.07460	0.5
121.07718	0.5
121.08443	3.5
121.10138	1.8
121.52045	0.7
121.54752	1.0
122.02106	0.5
122.03706	1.7
122.06164	1.8
122.07119	2.1
122.53712	0.4
123.01384	0.7
123.04430	32.9
123.08051	0.7
123.51829	1.0
123.97463	1.0
124.03915	0.8
124.04258	0.5
124.05223	9.7
125.06046	0.5
126.02229	0.4
126.05502	0.7
126.93816	0.9
127.02410	0.8
127.03899	1.5
128.02316	3.6
128.98616	1.9
129.03955	0.8
130.01924	0.5
130.08652	0.5
130.52605	0.9
131.00204	1.8
131.01901	33.5
131.08565	0.5
132.02042	2.6
132.03397	0.4
132.52306	1.1
133.01704	0.8
133.03467	3.3
134.03578	2.8
134.97408	0.4
134.99661	6.4
135.03224	1.0
135.04414	1.9
137.01358	0.5
137.02982	7.3
137.05981	0.9
138.03079	3.2
138.05525	0.5
139.02693	34.6
139.03636	1.6
139.07520	0.8
139.09787	1.9
139.11311	0.4
140.03328	1.4
140.07011	0.9
141.02164	0.9
141.04050	0.5
142.03494	2.1
143.00163	0.9
143.01926	2.0
143.03619	1.1
143.95053	0.6
143.96092	3.3
144.03235	28.4
144.95850	2.4
144.98070	3.8
144.99821	0.6
145.01703	0.7
145.03476	11.2
146.03323	0.7
146.99652	4.9
147.01363	2.4
147.03172	0.9
147.05023	1.3
149.01373	2.5
149.03058	8.9
149.05981	1.3
149.09642	0.5
149.97203	0.4
150.03047	1.1
150.05508	3.3
150.06586	0.8
151.02675	0.5
151.03842	5.8
152.04681	6.1
153.00739	0.8
154.03487	1.9
154.04948	1.5
155.01894	1.7
155.04657	0.9
157.01701	0.8
157.03448	5.0
158.01152	0.4
158.03540	0.5
158.04857	0.6
158.06621	1.1
158.99632	1.2
159.03300	1.3
159.04962	1.0
160.04562	0.5
161.01215	2.8
161.02950	6.2
161.04451	0.6
161.96025	0.5
161.97205	7.4
162.01682	0.6
162.03061	2.1
162.04291	13.7
162.06171	0.8
162.95811	1.3
162.97054	3.3
162.99136	13.1
163.00708	0.7
163.02751	1.4
163.04529	4.9
165.00734	1.0
165.02434	1.2
165.04260	0.8
167.02010	1.1
167.03378	2.6
167.04755	3.5
167.07034	100.0
168.02815	0.5
168.05029	1.2
168.06526	2.2
168.07506	1.6
168.11357	0.5
170.06662	0.4
171.01428	0.6
171.04875	0.6
172.04546	0.4
173.01337	0.8
173.02954	3.6
174.03067	0.8
174.04384	2.1
175.02867	0.7
175.04500	1.4
176.07668	1.2
177.00688	1.5
177.02229	0.5
177.04160	0.6
179.02263	0.6
179.98322	0.5
181.00174	3.7
181.03734	0.4
182.04715	0.4
185.01216	2.6
185.02948	4.7
185.06003	0.5
187.04497	0.5
188.07693	1.7
189.00696	1.0
189.02431	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.4
53.00296	0.3
53.03956	1.5
55.01876	0.5
55.05508	6.9
56.05031	3.5
56.96574	1.9
57.03439	0.4
57.37395	0.3
58.35295	0.4
65.03951	0.9
66.04726	0.6
67.05498	4.9
68.05032	4.0
68.05836	0.9
69.03428	41.2
69.07069	2.3
70.03765	0.9
70.06588	22.8
70.64767	0.9
71.05003	0.9
78.04704	5.5
79.05489	16.8
80.05013	1.5
80.05837	0.6
81.03420	0.5
81.05799	1.0
81.07052	55.4
81.11615	0.4
82.06580	1.0
82.07402	1.7
83.04971	1.1
83.08643	0.5
83.93044	1.3
84.04506	3.6
84.08147	3.1
84.96023	0.6
86.06062	41.8
91.05459	1.5
92.05806	0.7
93.07053	1.9
94.04183	0.4
94.06555	2.0
95.04976	2.1
95.08606	1.3
96.08126	28.7
97.06536	1.2
97.08468	0.9
98.06049	100.0
98.09683	2.4
99.06372	2.2
102.40623	0.4
105.03393	0.7
105.07012	0.8
106.04136	2.3
106.06562	0.5
107.04912	1.9
107.08591	1.6
108.08139	0.7
109.02888	0.7
109.06554	0.7
109.08887	0.4
109.10136	0.5
110.09712	0.7
110.10443	0.8
111.08070	0.7
112.07600	19.6
119.01921	1.0
119.08615	0.4
119.95103	1.3
120.02007	2.6
120.08102	1.5
120.08932	1.1
121.01714	1.1
121.02885	0.6
121.06543	1.0
121.10154	1.6
122.03638	0.7
123.04417	11.1
123.07595	0.6
123.11723	0.7
124.05231	3.6
124.07585	69.8
125.06001	0.5
125.07939	2.5
128.45341	0.4
129.79723	0.4
134.03601	0.4
135.04402	0.9
137.02985	0.6
137.05946	0.7
137.98349	1.0
138.03035	1.7
138.05432	0.8
138.09039	0.8
138.09962	2.4
139.02768	1.0
142.96683	4.1
143.03596	1.4
143.96713	0.6
144.03239	0.7
144.04367	0.4
148.11198	1.8
149.02364	1.3
149.09645	0.9
151.03886	2.0
152.04684	1.8
161.01254	0.4
166.03522	0.4
166.04907	2.0
166.06245	0.6
166.09593	4.7
166.12254	16.7
167.03372	1.3
167.07030	30.2
167.10709	0.8
167.12598	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0862
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
50.34438	0.2
53.03933	0.2
56.96551	0.3
57.69381	0.2
69.76447	1.2
69.76853	0.4
71.25674	0.2
73.32990	0.2
78.40980	0.2
79.05486	1.5
79.34707	0.2
79.72865	0.2
91.05469	1.2
93.07037	2.1
95.04983	0.4
103.05462	11.3
104.05789	0.4
107.04955	2.5
118.06527	0.3
120.08096	100.0
121.07682	0.3
121.08448	2.6
123.04444	0.2
131.04921	2.6
137.37912	0.2
149.05974	0.6
150.04942	0.2
166.05017	0.3
166.08591	1.1
167.07083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.5
55.05505	2.1
56.05028	4.8
56.96563	100.0
57.03435	14.5
58.99861	3.4
61.02921	4.3
62.75570	1.4
64.89732	1.4
65.03942	5.6
65.92623	4.3
67.05504	7.5
68.05849	1.5
68.99798	1.7
69.03420	9.7
70.06576	1.3
71.01359	3.8
71.04967	1.4
71.28203	2.1
71.95255	10.2
72.96042	4.4
73.02914	6.5
74.02441	10.0
74.97599	2.4
75.02717	1.6
77.00897	5.7
79.05492	5.5
80.05011	2.8
80.94978	4.2
81.03418	5.3
81.07076	2.3
82.06575	4.0
83.00782	1.9
83.04981	4.6
83.93081	1.4
84.96030	4.1
85.02902	9.8
88.02663	2.0
91.00513	1.9
91.05477	2.1
92.05759	2.0
93.05759	1.8
93.07044	6.1
95.01597	3.2
95.04960	7.8
96.04514	3.0
96.05310	4.5
97.01385	1.7
97.02881	7.4
98.97588	5.3
100.02500	6.1
101.00871	4.5
102.02359	2.4
103.02454	11.5
103.05465	9.1
104.02045	1.6
105.00359	4.7
106.01044	2.2
106.01910	2.3
107.04961	1.9
107.08578	2.1
108.04522	2.8
109.02888	4.3
110.06014	4.5
111.02905	1.8
111.04433	2.8
113.00870	3.9
113.02376	5.8
115.02423	23.2
116.00259	1.8
116.98624	4.2
117.03039	1.5
117.03989	4.3
118.03538	6.8
119.01048	2.1
119.01912	43.2
120.01981	33.8
120.03318	1.6
120.04463	2.3
120.05282	3.1
120.08102	52.5
120.08845	2.3
121.01662	14.3
121.02682	1.5
121.03530	10.3
121.06491	3.3
121.10119	2.1
121.97648	2.5
122.02370	1.9
123.01304	4.0
123.04417	2.8
124.03951	2.7
124.04737	3.2
124.93884	1.7
124.99194	1.7
125.02489	2.4
126.01653	2.1
128.98665	2.3
131.01904	32.0
132.02017	1.7
133.01662	4.9
133.03455	28.5
134.03645	2.2
134.99654	6.0
135.02139	3.6
135.05025	7.2
137.02959	19.2
138.03040	23.9
138.04085	1.9
138.05429	8.6
139.02696	11.9
139.03758	2.4
141.02269	3.2
142.03488	6.2
142.96623	8.7
143.00153	5.0
143.01892	7.6
143.03607	22.8
144.03264	5.6
144.04999	1.6
144.99823	2.7
145.03453	6.2
146.99675	3.5
147.01381	3.2
148.03874	2.6
148.07550	1.5
149.03046	10.1
154.03497	3.0
157.03500	6.8
158.99614	1.8
159.03223	1.9
160.04565	3.6
160.96104	4.2
160.97588	18.5
161.01248	15.4
161.02971	43.6
161.04688	9.7
161.97229	2.6
162.03096	3.3
163.04558	1.9
166.03514	2.4
166.04961	15.2
166.06055	1.5
166.08521	9.9
167.03493	4.4
167.07043	5.0
171.04944	1.6
173.03041	2.2
175.04482	3.1
177.02405	2.1
178.98611	5.3
179.02298	6.2
179.04028	10.2
184.02997	1.7
184.04532	6.8
185.01402	2.9
185.02995	5.8
187.00905	2.8
187.02692	2.6
189.02515	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1638
Annotation	1-Ethenyl-1-methyl-4-(1-methylethylidene)-cyclohexane
Peak:m/z	Relative Intensity
50.80602	0.4
53.03947	0.4
55.05510	7.1
56.53192	0.3
57.07073	7.9
65.03936	0.9
67.05504	47.3
68.05847	0.9
68.35098	0.3
69.07069	9.8
70.85451	1.1
71.08635	3.7
79.05491	4.3
81.07056	38.6
82.07384	0.6
83.08614	3.2
85.10188	1.9
90.06264	0.4
91.05474	1.6
93.07040	3.0
95.04987	0.7
95.08605	67.4
96.08943	1.8
97.10163	0.4
105.07027	1.5
107.04934	0.6
107.08602	3.1
109.06494	1.0
109.10155	100.0
110.09835	0.5
110.10502	3.5
119.01878	0.9
119.08583	1.3
121.10128	1.3
122.07266	0.5
123.08057	1.4
123.11707	25.6
124.11982	0.8
133.02855	1.0
133.06467	0.4
136.08824	0.6
137.02975	0.5
137.05942	1.2
137.09610	2.1
137.13284	2.0
139.47020	0.4
149.09645	1.8
150.10376	6.5
165.09048	1.8
165.12749	29.4
165.16394	9.5
166.13046	1.4
166.16740	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1638
Annotation	1-Ethenyl-1-methyl-4-(1-methylethylidene)-cyclohexane
Peak:m/z	Relative Intensity
53.03937	3.4
54.03456	0.8
55.01856	3.4
55.05267	1.1
55.05507	16.4
56.05011	2.4
56.96545	0.9
57.03434	5.0
57.07077	15.1
59.05004	4.5
65.03946	5.9
66.04693	1.0
67.05502	92.5
68.05000	3.7
68.05813	1.4
68.98410	1.0
69.03430	11.5
69.07063	20.6
70.06586	2.2
70.07381	1.0
70.69974	2.8
71.04976	3.7
71.08624	4.9
76.06142	0.8
76.10044	0.9
77.03934	1.1
79.05491	23.8
80.05024	1.6
81.03427	5.1
81.04543	1.5
81.07055	82.2
82.06579	1.8
82.07369	1.8
83.04984	4.6
83.06088	3.9
83.08620	6.9
85.02914	1.8
85.07642	1.4
85.10182	1.4
91.05479	39.9
92.05800	2.1
93.07034	15.6
95.04967	61.5
95.08602	97.1
96.05278	2.1
96.08945	2.7
97.06490	1.9
97.07610	1.4
101.00864	1.4
103.05468	4.7
104.06229	1.4
105.07030	31.4
106.07354	1.7
107.04945	9.0
107.06072	3.0
107.08588	48.3
108.05694	2.8
108.08871	1.3
109.06512	36.6
109.10151	100.0
110.07244	3.2
110.10503	2.9
111.09181	1.2
117.04172	0.8
117.07009	8.5
119.01901	9.2
119.04935	10.2
119.05862	1.6
119.08578	55.1
120.05591	1.1
120.08086	3.8
120.08911	2.3
121.06470	4.2
121.09328	1.4
121.10130	13.1
122.07240	4.6
123.04422	3.1
123.08061	48.1
123.11698	56.0
124.08733	5.3
124.12035	2.0
129.06956	3.2
131.04909	1.1
132.05719	5.6
133.02834	2.5
133.06468	2.1
133.07455	0.8
135.08047	1.3
136.08775	2.9
137.02956	3.6
137.05994	7.1
137.09610	12.7
137.12279	1.2
137.13254	8.2
138.05481	1.6
138.10220	1.5
138.13649	1.0
141.09064	1.3
142.03510	5.7
142.96803	1.3
147.04411	10.9
147.08043	30.1
147.11676	12.6
148.04767	1.4
148.08614	4.6
149.09540	1.2
157.43878	0.8
160.04572	2.6
165.01813	1.4
165.05583	4.5
165.07756	1.5
165.09103	17.5
165.11440	5.4
165.12737	88.5
165.16370	7.7
166.05011	6.2
166.08585	2.3
166.13115	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	165.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
54.03456	0.8
55.01856	3.4
55.05267	1.1
55.05507	16.4
56.05011	2.4
56.96545	0.9
57.03434	5.0
57.07077	15.1
59.05004	4.5
65.03946	5.9
66.04693	1.0
67.05502	92.5
68.05000	3.7
68.05813	1.4
68.98410	1.0
69.03430	11.5
69.07063	20.6
70.06586	2.2
70.07381	1.0
70.69974	2.8
71.04976	3.7
71.08624	4.9
76.06142	0.8
76.10044	0.9
77.03934	1.1
79.05491	23.8
80.05024	1.6
81.03427	5.1
81.04543	1.5
81.07055	82.2
82.06579	1.8
82.07369	1.8
83.04984	4.6
83.06088	3.9
83.08620	6.9
85.02914	1.8
85.07642	1.4
85.10182	1.4
91.05479	39.9
92.05800	2.1
93.07034	15.6
95.04967	61.5
95.08602	97.1
96.05278	2.1
96.08945	2.7
97.06490	1.9
97.07610	1.4
101.00864	1.4
103.05468	4.7
104.06229	1.4
105.07030	31.4
106.07354	1.7
107.04945	9.0
107.06072	3.0
107.08588	48.3
108.05694	2.8
108.08871	1.3
109.06512	36.6
109.10151	100.0
110.07244	3.2
110.10503	2.9
111.09181	1.2
117.04172	0.8
117.07009	8.5
119.01901	9.2
119.04935	10.2
119.05862	1.6
119.08578	55.1
120.05591	1.1
120.08086	3.8
120.08911	2.3
121.06470	4.2
121.09328	1.4
121.10130	13.1
122.07240	4.6
123.04422	3.1
123.08061	48.1
123.11698	56.0
124.08733	5.3
124.12035	2.0
129.06956	3.2
131.04909	1.1
132.05719	5.6
133.02834	2.5
133.06468	2.1
133.07455	0.8
135.08047	1.3
136.08775	2.9
137.02956	3.6
137.05994	7.1
137.09610	12.7
137.12279	1.2
137.13254	8.2
138.05481	1.6
138.10220	1.5
138.13649	1.0
141.09064	1.3
142.03510	5.7
142.96803	1.3
147.04411	10.9
147.08043	30.1
147.11676	12.6
148.04767	1.4
148.08614	4.6
149.09540	1.2
157.43878	0.8
160.04572	2.6
165.01813	1.4
165.05583	4.5
165.07756	1.5
165.09103	17.5
165.11440	5.4
165.12737	88.5
165.16370	7.7
166.05011	6.2
166.08585	2.3
166.13115	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	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03947	9.0
55.01859	2.0
55.05510	8.5
57.03430	2.0
57.07058	6.0
57.28833	1.6
57.35070	1.9
59.04979	3.7
60.29734	1.7
62.25581	1.6
63.42720	1.5
65.03928	3.6
67.05167	2.4
67.05496	23.7
68.04992	2.4
69.03092	2.2
69.03428	31.0
69.07066	11.4
71.04942	2.5
72.01649	1.7
79.01845	2.3
79.05479	14.8
81.03411	31.0
81.07047	31.0
82.58752	1.7
83.04961	6.0
83.06119	1.8
91.05464	19.6
93.07045	10.1
95.01315	3.5
95.04957	21.3
95.08601	27.0
103.05453	2.9
105.07001	18.9
107.04948	4.1
107.08559	14.1
109.06507	28.0
109.10155	9.3
110.07258	3.1
111.08051	2.0
117.07050	3.3
119.01905	17.8
119.04916	5.8
119.08574	24.9
120.01997	2.2
120.08128	3.3
121.10136	10.5
122.07210	3.5
123.04433	1.5
123.08054	32.0
123.11694	17.4
124.08739	2.7
133.02815	4.1
137.03024	8.8
137.05951	7.3
137.09607	12.0
137.13239	2.9
142.03496	10.4
143.03450	3.4
147.04413	6.9
147.08066	4.3
147.11693	10.7
148.08673	2.0
160.04568	4.3
165.01851	3.0
165.05502	3.7
165.07875	2.3
165.09128	12.0
165.12740	100.0
166.05058	3.5
166.08534	3.0
166.13043	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	165.1275
Annotation	Jasmone
Peak:m/z	Relative Intensity
50.65709	1.0
51.02346	1.0
53.03933	3.9
55.01854	4.3
55.05510	14.8
56.05015	3.4
56.96559	1.6
57.03433	5.5
57.07076	12.1
58.06586	1.7
59.04986	3.9
59.06109	1.0
61.61920	1.0
63.67170	0.9
65.03920	5.1
67.05502	80.0
68.05022	4.8
68.05853	1.6
69.03419	12.9
69.06728	1.5
69.07066	17.7
69.92936	6.1
70.06573	4.9
71.04979	3.5
71.08625	2.9
79.05489	26.4
80.05006	3.4
81.03396	4.7
81.04520	3.4
81.07053	71.2
82.06557	3.2
82.07378	1.1
83.04973	6.3
83.06086	5.1
83.08607	6.5
85.02886	4.4
85.06552	1.7
85.07646	2.9
91.05477	49.6
92.05785	1.8
93.06474	1.8
93.07036	21.0
94.06528	1.6
94.07356	1.4
95.04965	68.7
95.06043	3.5
95.08602	73.7
96.05328	2.0
96.08076	0.9
96.08908	2.1
97.06513	1.9
97.07648	3.5
97.10175	1.4
98.07160	2.4
98.21556	1.3
101.00856	2.2
103.05449	5.5
104.06211	1.3
105.07023	30.4
106.07291	1.4
107.04974	8.6
107.06078	3.7
107.08586	46.6
108.05744	2.3
108.06844	1.2
108.08899	1.8
109.02872	1.4
109.06516	39.3
109.07655	4.8
109.10152	69.9
110.06033	2.1
110.07213	4.5
110.10481	1.7
111.09182	1.4
114.40664	1.0
115.05414	1.2
117.07018	8.3
119.01914	17.8
119.04944	16.0
119.08578	64.9
120.02029	2.1
120.04395	1.0
120.05574	1.7
120.08083	7.0
120.08899	3.5
121.06477	4.6
121.07631	4.2
121.10127	12.5
122.03622	1.5
122.07208	6.6
123.04498	5.0
123.08063	52.5
123.11702	48.5
124.08724	5.9
124.12011	3.0
125.09495	3.0
127.07554	1.1
129.06999	3.3
132.05688	6.7
133.02837	4.3
133.06418	3.3
133.07545	1.3
135.04497	1.4
136.08719	1.4
137.02992	9.2
137.05954	15.9
137.06953	2.1
137.09605	14.3
137.13225	6.7
138.06549	1.6
138.10234	1.7
142.03511	10.5
142.96719	2.2
147.04396	23.3
147.08035	34.5
147.11665	12.9
148.04903	1.6
148.07471	1.8
148.08609	5.7
160.04498	3.5
165.01820	3.2
165.05594	5.9
165.07576	2.8
165.09084	19.7
165.11447	5.7
165.12737	100.0
165.16418	4.8
166.04988	5.0
166.08592	1.9
166.13028	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	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.00302	1.0
53.03930	4.0
55.01862	2.8
55.05265	1.3
55.05509	20.0
57.03439	5.4
57.07073	15.2
59.05003	4.6
65.03926	5.6
67.05502	98.8
68.05006	1.5
68.05834	2.0
69.03426	11.0
69.07063	20.6
69.69824	3.2
69.70258	3.1
70.06573	1.6
71.04982	2.2
71.08624	5.8
74.47810	1.0
76.73695	0.9
79.05489	25.5
80.05030	1.6
80.05819	1.1
81.03397	3.5
81.04529	1.9
81.07053	87.3
82.06591	1.8
82.07383	2.2
83.04981	6.3
83.06087	3.1
83.08617	7.6
85.06544	1.8
85.07633	1.1
85.10127	1.1
87.93758	0.9
91.05480	33.0
92.05745	1.3
93.07040	16.8
94.06599	1.2
95.04965	68.5
95.08602	94.0
96.08927	2.3
97.06515	1.8
97.07614	0.9
98.20786	1.3
98.21352	1.8
103.05441	3.3
104.06240	1.2
105.07029	28.6
106.07333	1.3
107.04957	8.8
107.06072	2.1
107.08591	48.3
108.05701	3.0
108.08906	3.0
109.06515	38.7
109.10149	100.0
110.06037	0.9
110.07252	3.8
110.10489	2.5
117.07007	6.5
119.01913	4.0
119.04919	3.0
119.08577	58.9
120.08121	3.4
120.08885	1.7
121.06509	4.0
121.10131	15.4
122.07215	3.6
123.04398	2.5
123.08064	44.9
123.11694	60.7
124.08641	3.4
124.12041	1.7
125.09475	2.0
129.06979	1.8
132.05701	7.5
133.02855	2.0
133.06416	2.6
136.08809	2.9
137.02950	1.8
137.05962	7.6
137.09607	11.6
137.13255	7.3
142.03455	2.1
147.04414	6.9
147.06935	1.8
147.08049	25.8
147.11673	10.4
148.08611	3.4
150.10387	0.9
165.05435	3.5
165.09113	11.2
165.11537	3.5
165.12747	93.3
165.16382	7.4
166.04965	2.6
166.09789	1.1
166.13048	5.1
166.16748	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0911
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
50.44273	0.9
51.27982	0.8
52.52350	0.8
53.03934	4.0
55.01870	8.1
55.05508	9.4
56.05024	0.9
56.96573	1.2
57.03422	1.2
57.07067	2.1
59.05008	1.2
59.06106	0.9
65.03935	6.1
65.64423	0.9
67.05504	38.0
68.05004	1.7
68.05842	1.0
68.15074	0.9
68.99799	2.1
69.03432	7.2
69.07072	5.4
70.06581	1.4
71.04987	2.1
71.57699	1.3
73.02907	2.1
77.03915	1.3
79.01853	6.5
79.05067	1.5
79.05492	25.1
80.05002	1.0
81.03427	5.3
81.04543	1.5
81.07050	37.5
82.06532	1.1
83.04984	7.1
83.06096	1.9
83.08622	1.6
85.06520	1.0
90.74646	0.8
91.05479	72.5
92.05816	1.3
93.03391	1.0
93.07042	16.4
94.04224	1.2
95.04963	18.0
95.06092	1.6
95.08601	26.5
95.09167	1.9
97.06515	1.4
97.07648	1.2
101.00875	2.0
103.05447	6.5
104.06259	1.6
105.03375	3.2
105.04543	1.3
105.07027	36.4
106.07329	0.9
107.01353	0.9
107.04961	8.7
107.06046	2.3
107.08599	14.3
109.02848	2.8
109.06512	15.6
109.07333	0.9
109.07625	1.4
109.10146	28.2
110.07220	1.1
110.10477	0.9
111.04472	1.0
111.09093	1.0
115.02171	0.9
115.05399	2.9
117.07029	7.2
119.01922	27.9
119.04938	40.5
119.08573	39.6
119.95106	0.9
120.08092	2.6
120.08897	1.2
121.06505	3.4
121.10132	10.6
122.03636	2.8
122.07272	12.3
123.04423	3.3
123.05545	0.8
123.06680	1.0
123.08064	9.8
123.11671	6.3
124.05161	1.0
124.08695	3.0
125.02316	2.9
125.05943	1.0
127.03963	1.7
128.06235	1.7
129.06970	1.6
131.04918	1.4
132.05708	1.9
133.02840	12.4
133.05563	1.2
133.06476	7.4
134.07249	6.9
135.08051	5.4
136.08795	1.4
137.03009	15.1
137.05106	1.0
137.05975	24.7
137.09605	38.4
137.13257	1.8
138.03110	1.2
138.10060	1.1
142.03499	14.6
142.96671	1.9
143.03334	4.9
147.03232	1.4
147.04405	35.3
147.08041	87.1
147.11682	14.1
148.04739	1.6
148.08522	4.5
153.02914	1.2
160.04572	8.7
165.01833	4.6
165.05554	16.5
165.06853	2.4
165.07837	3.5
165.09102	100.0
165.11394	3.6
165.12733	25.0
166.04980	10.7
166.09576	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
50.58357	0.9
51.02382	1.3
51.90496	0.9
53.03941	5.2
53.46324	0.9
53.90189	0.9
54.03460	1.7
54.23509	1.2
55.01865	14.7
55.05270	1.4
55.05509	19.4
56.05017	4.0
56.96556	2.1
57.03421	1.8
58.06588	2.6
59.06112	1.9
63.02379	1.2
65.03936	5.3
67.05499	18.3
68.04698	1.2
68.05022	7.1
69.03414	4.0
69.07040	2.3
69.92973	3.0
69.93393	3.2
70.06568	3.8
71.01339	6.6
71.04978	1.1
73.02908	2.4
77.03925	1.4
79.01853	1.6
79.05486	30.6
80.04996	3.5
81.03411	7.2
81.04527	3.5
81.06594	1.3
81.07049	19.3
81.89216	0.9
82.06554	4.3
82.22774	1.0
83.04958	3.1
83.06097	10.7
83.08607	4.6
85.07650	3.9
91.05474	59.2
92.04948	1.0
92.05807	2.7
93.07025	14.1
94.04157	3.6
94.06561	2.1
94.83288	1.0
95.01304	1.3
95.04965	26.5
95.06071	4.5
95.08591	11.3
97.02889	1.3
97.06490	1.2
97.07627	3.4
98.07172	2.2
101.00842	2.8
103.05453	11.3
104.06286	1.2
105.03368	3.5
105.07024	79.2
106.07351	3.1
107.04948	8.1
107.06047	5.4
107.08583	6.2
108.05598	1.8
108.06850	1.2
108.08080	1.8
109.02842	4.4
109.06509	18.6
109.07212	1.2
109.07631	3.8
109.10142	5.4
110.06039	2.8
110.07135	1.7
110.09657	2.0
111.09184	2.9
115.05433	3.7
117.07003	11.8
119.01913	25.3
119.04932	21.3
119.05831	1.5
119.06129	1.0
119.08569	32.6
120.08076	3.6
120.08916	1.6
121.06486	5.6
121.07616	2.6
121.10138	3.7
122.03634	5.6
122.07186	7.6
123.04446	6.9
123.05223	1.2
123.08058	14.4
123.11682	3.2
124.05174	3.6
124.08722	8.5
125.09503	5.9
127.03952	5.0
128.06166	2.3
129.06966	3.8
131.04984	1.5
132.05698	2.9
133.02844	4.2
133.05482	2.0
133.06477	40.5
134.07329	8.0
135.08061	5.5
136.07590	1.6
136.08620	1.0
137.03011	13.0
137.05966	75.5
137.08365	2.3
137.09593	10.8
138.06407	4.2
138.09236	1.2
138.10248	2.8
142.03488	9.6
147.04402	19.4
147.08035	100.0
147.11684	3.5
148.04907	1.4
148.08635	8.9
150.06741	2.3
160.04543	5.4
165.01848	4.1
165.05431	8.0
165.06763	2.3
165.07861	2.6
165.09102	72.3
165.11353	10.5
165.12737	6.3
165.98283	1.1
166.05017	3.1
166.08438	6.2
166.09785	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	beta-Thujaplicin
Peak:m/z	Relative Intensity
53.03934	1.6
55.01862	0.5
55.05515	5.1
57.07069	0.6
59.44037	0.5
65.03918	0.9
67.05502	29.2
68.04498	0.4
68.05016	0.5
69.03415	1.0
69.07044	1.6
69.27426	4.8
77.03899	0.5
79.05495	4.1
81.03405	0.8
81.07053	14.8
83.04986	7.1
83.93045	0.6
91.05481	12.1
93.07047	3.0
95.04952	3.9
95.08605	7.8
101.00854	1.3
103.05447	1.0
104.04903	0.5
105.03378	0.5
105.07055	3.9
107.04939	4.4
107.08572	3.0
109.06515	2.8
109.10152	27.9
110.10476	0.9
117.07026	2.0
119.01910	9.3
119.04910	2.7
119.08579	21.9
121.06487	1.7
121.10134	1.0
122.07280	20.4
123.04405	1.0
123.08084	1.3
123.11687	1.0
133.02850	1.5
135.08012	0.8
137.02977	4.2
137.05997	2.2
137.09612	57.5
138.09961	1.6
142.03488	5.1
142.96754	0.8
143.03603	0.5
147.04390	3.9
147.08046	1.8
147.11659	0.7
158.81383	0.5
160.04544	2.6
165.09108	100.0
165.12727	3.9
166.04921	0.6
166.09509	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	165.091
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
53.03951	1.3
55.01881	1.3
55.05503	5.1
56.05043	0.5
56.96564	0.8
57.03443	0.5
57.07077	0.5
65.03946	1.1
66.04765	0.3
67.05501	29.8
68.05041	0.3
68.05840	0.5
69.03443	1.2
69.07075	1.9
70.06577	0.6
71.04995	0.5
71.58105	0.3
77.03967	0.4
79.05487	5.8
81.03411	1.6
81.04576	0.3
81.07052	14.7
81.25719	0.3
82.06596	0.3
83.04974	5.3
83.06110	0.5
91.05478	14.9
92.05765	0.4
93.07042	4.1
94.04179	0.7
94.07832	0.7
95.01315	0.6
95.04968	5.0
95.08600	9.2
97.06525	0.7
97.07626	0.3
101.00848	0.7
103.05450	2.0
104.06245	0.7
105.03394	1.2
105.04491	0.4
105.07014	5.4
107.04947	5.0
107.06078	0.4
107.08576	3.8
108.82571	0.3
109.02913	0.7
109.06511	4.6
109.10150	28.5
110.10497	1.1
117.07018	2.0
119.01048	0.4
119.01917	9.3
119.04929	5.7
119.08575	25.1
120.02010	0.6
120.08129	0.7
120.08916	1.0
121.06512	2.2
121.10169	1.9
122.03627	0.4
122.07282	18.6
123.04429	1.2
123.08102	2.5
123.11703	1.9
124.08652	0.8
129.06929	0.5
132.05699	0.5
133.02835	2.8
133.06490	0.9
135.04388	0.4
135.08026	0.9
136.08694	0.4
137.02145	0.4
137.02985	5.2
137.05997	4.5
137.09608	56.9
138.03111	0.4
138.09979	1.9
142.03502	5.1
142.96658	1.5
143.03522	0.4
147.03214	0.5
147.04404	9.1
147.08020	2.2
147.11685	2.5
148.04778	0.3
148.08600	0.5
160.04541	2.0
165.01811	1.0
165.05402	2.4
165.06966	12.5
165.09100	100.0
165.12752	5.6
166.04987	1.1
166.07294	0.7
166.09569	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	165.0547
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
50.01609	0.3
51.02378	0.7
53.03944	2.7
55.01868	0.9
55.05506	0.7
56.96561	13.4
56.96847	0.6
57.03433	0.7
58.99866	0.5
61.02924	0.8
63.47655	0.3
63.92927	0.3
65.03922	2.1
65.92635	0.7
67.05505	1.8
68.42940	0.4
68.99781	0.4
69.03431	1.8
70.98122	0.3
71.04989	0.7
71.56760	0.3
71.95260	1.0
72.96037	0.4
73.02923	0.7
77.00913	0.5
77.03919	1.1
78.95279	0.4
79.05490	0.8
80.94954	1.7
81.03406	1.6
81.07035	1.4
82.06603	0.4
82.99852	0.5
83.04975	1.3
84.96027	1.5
85.02911	1.3
91.05476	24.5
92.05017	0.5
92.05803	0.6
93.07045	2.3
94.04183	0.6
95.04963	84.3
96.05303	1.3
97.02879	1.9
98.96013	0.4
98.97582	2.2
100.02502	0.9
101.00872	8.0
102.97005	0.3
103.05462	6.6
105.04502	1.6
107.04964	0.6
109.02915	0.4
109.06510	5.0
109.10124	0.5
110.06042	0.6
110.97504	0.5
111.04444	0.5
112.02859	0.5
112.07627	0.4
112.99158	0.3
115.02428	0.8
116.98643	1.5
117.03958	0.3
118.03522	0.5
119.01918	63.6
119.04933	57.0
119.05907	0.7
119.08588	0.9
120.01981	2.9
120.04511	0.4
120.05209	1.6
120.08052	0.8
121.02353	0.3
121.05141	0.4
121.06493	2.4
121.97556	1.3
123.04421	100.0
124.02430	1.3
124.04776	2.0
124.08698	0.4
124.93903	0.9
124.99133	0.3
128.98639	0.7
131.01895	1.0
133.01714	0.3
133.03444	1.1
134.99644	1.0
136.07571	0.6
137.02948	29.1
137.05966	2.0
137.06990	0.5
137.09662	0.3
138.03088	1.3
138.05437	0.4
141.05135	0.2
142.03491	31.9
142.94968	0.6
143.00137	0.8
143.01880	0.7
143.03656	1.5
145.01736	0.4
146.99600	1.3
147.01396	0.6
147.04410	15.0
147.05495	1.5
148.03735	0.4
148.04805	0.5
148.08656	0.4
155.00171	0.7
155.01964	0.3
157.01677	0.4
157.03546	0.4
158.99629	0.4
160.04550	13.8
160.96011	0.9
160.97450	0.6
161.01247	1.4
161.02950	1.4
161.04651	0.4
161.06631	0.4
165.05380	2.8
165.08972	0.3
165.11371	0.4
166.05077	0.6
166.07227	2.5
166.08551	0.5
173.01231	1.6
173.02625	0.3
175.04491	0.7
179.02264	0.3
182.99635	0.5
183.06227	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.3
53.03946	0.9
54.03458	0.4
55.01870	1.0
55.05504	0.7
56.05027	1.1
56.96573	0.7
57.04558	0.4
58.06598	0.6
59.06103	0.3
65.03940	2.4
67.05508	2.4
68.05029	2.3
68.99802	0.5
69.03426	0.8
69.04517	0.4
70.06586	1.3
70.76151	0.8
71.06150	0.3
79.05492	2.1
79.27883	0.3
80.05018	1.1
81.03425	1.0
81.04551	1.7
81.07059	2.0
82.06590	1.4
83.04977	0.3
83.06100	2.8
85.02911	1.1
85.07666	1.2
87.46714	0.2
91.05482	38.9
92.05005	0.3
92.05817	1.0
93.07046	2.5
95.04968	4.5
95.06086	1.2
95.08592	1.7
97.06490	0.3
97.07624	1.3
98.07173	1.2
101.00877	0.7
103.05467	0.9
104.06314	0.3
105.03425	0.4
105.06416	0.3
105.07025	2.0
107.04934	0.9
107.06071	2.1
107.08596	0.7
108.06858	0.6
109.02859	0.6
109.06506	1.9
109.07619	1.4
109.10172	2.0
110.07172	0.9
111.09190	0.5
117.07006	0.7
119.01936	7.5
119.04942	62.8
119.08573	4.4
119.57979	0.3
120.05264	1.7
120.08105	1.2
120.08929	0.4
121.06545	0.6
121.07624	1.5
121.10136	0.6
122.07161	1.3
123.04436	4.1
123.05408	0.4
123.08082	1.3
123.11739	0.4
124.05182	0.4
124.08735	2.4
125.05879	0.4
125.07156	0.4
125.09506	1.0
133.02852	0.7
133.06439	0.4
137.02991	4.7
137.05002	0.5
137.05978	3.8
137.08238	0.3
137.08563	0.3
137.09612	2.2
138.03055	0.5
138.10237	0.8
142.03496	4.5
142.96716	0.7
143.03569	0.3
147.04410	100.0
147.08052	2.5
148.04762	3.2
148.07574	0.4
148.08669	2.4
148.96318	0.3
149.07124	0.3
160.04553	2.2
161.01360	0.4
165.01859	1.9
165.05496	5.7
165.06763	0.3
165.09117	4.5
165.11389	3.4
165.12796	0.7
166.02715	0.4
166.04922	0.7
166.08641	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02386	0.3
53.03946	0.9
54.03458	0.4
55.01870	1.0
55.05504	0.7
56.05027	1.1
56.96573	0.7
57.04558	0.4
58.06598	0.6
59.06103	0.3
65.03940	2.4
67.05508	2.4
68.05029	2.3
68.99802	0.5
69.03426	0.8
69.04517	0.4
70.06586	1.3
70.76151	0.8
71.06150	0.3
79.05492	2.1
79.27883	0.3
80.05018	1.1
81.03425	1.0
81.04551	1.7
81.07059	2.0
82.06590	1.4
83.04977	0.3
83.06100	2.8
85.02911	1.1
85.07666	1.2
87.46714	0.2
91.05482	38.9
92.05005	0.3
92.05817	1.0
93.07046	2.5
95.04968	4.5
95.06086	1.2
95.08592	1.7
97.06490	0.3
97.07624	1.3
98.07173	1.2
101.00877	0.7
103.05467	0.9
104.06314	0.3
105.03425	0.4
105.06416	0.3
105.07025	2.0
107.04934	0.9
107.06071	2.1
107.08596	0.7
108.06858	0.6
109.02859	0.6
109.06506	1.9
109.07619	1.4
109.10172	2.0
110.07172	0.9
111.09190	0.5
117.07006	0.7
119.01936	7.5
119.04942	62.8
119.08573	4.4
119.57979	0.3
120.05264	1.7
120.08105	1.2
120.08929	0.4
121.06545	0.6
121.07624	1.5
121.10136	0.6
122.07161	1.3
123.04436	4.1
123.05408	0.4
123.08082	1.3
123.11739	0.4
124.05182	0.4
124.08735	2.4
125.05879	0.4
125.07156	0.4
125.09506	1.0
133.02852	0.7
133.06439	0.4
137.02991	4.7
137.05002	0.5
137.05978	3.8
137.08238	0.3
137.08563	0.3
137.09612	2.2
138.03055	0.5
138.10237	0.8
142.03496	4.5
142.96716	0.7
143.03569	0.3
147.04410	100.0
147.08052	2.5
148.04762	3.2
148.07574	0.4
148.08669	2.4
148.96318	0.3
149.07124	0.3
160.04553	2.2
161.01360	0.4
165.01859	1.9
165.05496	5.7
165.06763	0.3
165.09117	4.5
165.11389	3.4
165.12796	0.7
166.02715	0.4
166.04922	0.7
166.08641	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	0.6
70.36525	0.7
82.01439	0.3
82.99840	0.9
98.97595	0.6
100.02459	0.9
101.00871	14.6
105.27665	0.3
116.98621	0.8
118.03506	0.7
118.53818	0.3
119.01916	100.0
120.01987	4.1
121.02341	0.4
124.02419	2.8
134.99712	0.4
137.02950	43.7
138.03040	1.6
142.03494	54.3
143.00163	0.4
143.03616	2.3
145.94904	0.3
160.04559	22.4
161.01163	0.5
161.02974	0.4
161.04704	0.9
165.05084	1.9
166.16129	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	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01871	1.0
55.05491	0.5
56.96561	7.3
57.03430	1.2
58.99868	0.5
61.02941	0.4
61.18581	0.3
65.03951	0.8
67.05489	0.7
69.03418	1.1
70.90865	0.3
71.55872	0.4
71.56367	0.7
71.95255	0.4
73.02920	1.1
74.02439	0.5
77.00896	0.6
79.05486	1.0
80.94958	0.9
81.03410	1.3
81.07051	0.4
81.94817	0.3
82.99844	0.9
83.04982	1.0
84.96011	0.8
85.02896	1.4
88.52707	0.3
91.05475	6.3
93.07036	0.7
95.04965	17.7
97.02885	1.6
98.97570	0.6
99.04453	0.4
100.02472	1.0
101.00871	13.1
101.05997	0.5
102.00954	0.7
103.02273	0.4
103.05459	1.6
105.03380	0.4
105.07023	2.1
107.04954	0.5
109.02878	1.1
109.06498	1.2
110.97604	0.4
111.04411	0.9
115.02428	1.4
116.98616	0.8
118.03544	1.1
119.01914	100.0
119.04916	12.9
120.01984	4.1
120.08102	0.7
121.06476	0.9
121.97579	0.5
123.04421	21.5
124.02428	2.4
124.04745	0.5
127.03901	0.5
130.08667	0.4
131.01935	1.8
131.02760	0.4
133.02705	0.8
133.03493	1.2
133.06505	1.3
134.99683	0.4
137.02948	46.1
137.05966	1.6
137.09602	0.4
138.03023	2.1
142.03493	54.7
143.00180	0.6
143.01894	1.0
143.03584	2.4
145.03429	0.8
147.04420	4.4
147.05531	0.7
148.03934	0.4
151.04532	0.4
156.05058	0.5
157.03484	0.6
160.04549	21.1
160.95905	0.4
161.01219	1.0
161.02951	1.5
161.04692	1.4
165.05283	3.2
165.09128	0.6
165.90959	0.4
166.05081	0.6
166.07254	0.9
173.01248	0.7
173.02895	0.9
176.64153	0.4
183.06244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02354	0.8
53.03939	6.3
55.01860	1.5
55.05516	7.6
57.07067	2.0
65.03916	0.9
67.05495	4.3
68.05022	1.0
69.03442	2.1
69.07069	22.6
70.27105	4.0
70.67540	0.8
77.03914	1.4
78.65212	0.8
79.05495	22.2
81.03401	1.0
81.07046	11.2
83.08619	9.1
89.03915	8.1
91.05478	19.0
92.02637	1.7
93.07040	29.9
94.07338	1.0
95.04973	13.5
95.08611	8.1
102.04664	1.1
103.05466	95.4
104.05793	3.4
105.03391	2.4
105.04501	2.9
105.06305	1.1
105.07023	20.4
107.04939	9.9
107.08592	80.6
108.09425	1.2
109.06524	3.5
115.05457	2.3
117.03389	6.6
117.05753	1.5
117.07026	4.9
118.03616	0.8
119.06077	1.2
119.08583	10.2
120.05723	0.8
120.09367	1.5
121.06544	6.4
121.10143	66.7
122.07141	2.4
122.10463	1.9
123.08035	3.2
130.06528	2.4
130.07770	1.7
131.04924	100.0
132.05280	4.2
132.08067	2.7
133.02843	6.2
133.06480	1.7
133.07634	0.8
133.10144	1.6
135.04407	20.1
135.08078	6.4
135.11684	32.7
136.04765	1.2
136.08632	1.5
136.12073	1.5
137.09610	1.2
145.02850	4.3
145.03856	1.1
145.06439	1.9
145.10150	5.7
147.08014	1.5
148.08873	5.4
148.09869	1.0
163.03909	33.4
163.05252	2.0
163.07542	42.4
163.09811	2.5
163.11163	40.1
163.14819	17.7
164.04311	1.4
164.08005	1.6
164.11530	2.6
164.15059	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02375	2.1
53.03945	11.9
55.01851	0.8
55.05509	7.8
57.07059	1.0
65.03928	1.4
66.89101	0.5
67.05501	26.1
68.05791	0.6
68.61906	0.6
69.07065	10.6
69.69077	3.9
77.03911	2.1
79.05489	61.7
80.05810	1.4
81.03405	1.9
81.07053	35.9
82.07381	1.0
83.08610	5.9
84.08123	0.8
89.03876	1.4
91.05477	16.0
92.02618	5.6
93.07040	51.3
94.07354	1.3
95.04963	31.4
95.08601	34.3
96.05276	1.5
96.08920	1.5
97.10136	0.9
100.02485	2.2
103.05444	1.7
105.03397	7.2
105.04501	7.0
105.07030	6.2
106.06532	1.6
107.04961	4.9
107.08588	45.6
108.08916	1.1
109.06506	2.1
109.10141	2.9
115.05455	1.2
117.03387	1.4
117.05723	0.9
117.06993	2.8
118.03516	1.8
119.04908	1.0
119.08585	2.9
120.08062	0.8
121.06525	1.4
121.10137	55.1
122.09660	0.9
122.10451	1.5
130.06506	3.6
130.07678	0.7
131.04941	1.7
132.08086	2.8
133.02847	31.5
134.03163	1.8
135.04411	33.4
135.08029	1.7
135.11682	5.2
136.04756	1.6
138.03120	2.0
145.03944	1.0
145.06476	2.0
145.10132	3.4
162.20300	0.5
163.03897	100.0
163.07585	2.4
163.11168	9.1
163.12396	1.7
163.14812	30.9
164.04324	4.8
164.07031	1.1
164.10701	0.7
164.15233	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02377	1.6
53.03929	4.2
55.01855	1.5
55.05508	13.3
55.68386	1.0
57.03414	1.7
57.07056	4.0
59.25610	0.9
63.02360	1.7
65.03916	1.2
67.05495	4.4
69.07070	29.2
69.68436	6.2
69.68837	2.4
79.05491	24.2
81.03430	1.6
81.07045	5.1
82.12117	1.0
83.08617	13.7
89.03914	48.3
90.04251	2.3
91.05473	18.2
92.08727	1.0
92.40669	0.9
93.07038	34.3
95.04970	12.3
95.08614	7.8
103.05458	29.5
104.05783	1.0
105.03372	1.9
105.04507	2.0
105.07022	25.9
107.04951	15.8
107.08590	85.3
108.08834	2.1
108.09452	2.1
109.06506	2.7
109.10152	1.8
111.41179	1.1
117.03377	34.0
117.07011	3.4
118.03671	1.6
119.06068	1.6
119.08586	10.9
121.06544	2.1
121.10139	100.0
122.10464	4.3
123.08080	4.7
130.06567	1.4
131.04919	27.3
132.08073	1.2
133.02852	6.5
133.06557	1.1
133.07574	2.0
133.10117	1.3
134.10883	1.4
135.04414	63.0
135.08080	3.0
135.11684	23.0
136.04729	3.2
137.09688	1.0
145.01762	1.6
145.02850	20.9
145.03967	1.6
145.06439	1.2
145.10066	4.2
148.08846	2.7
148.12456	1.6
158.06029	1.1
163.03902	48.8
163.07529	10.1
163.09859	1.5
163.11140	18.7
163.14804	22.4
164.04274	2.6
164.11565	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02369	1.5
53.03712	0.9
53.03944	12.0
54.81598	0.6
55.01868	1.1
55.05506	5.2
57.07071	1.2
61.02915	1.7
65.03925	0.9
67.05502	13.3
69.03423	1.2
69.07069	8.2
71.57794	0.7
71.58174	0.8
77.03922	2.6
79.05490	33.2
80.05006	0.8
80.05822	0.6
81.03399	2.1
81.07053	23.5
83.04974	0.8
83.08622	3.6
85.02837	0.7
89.03903	1.6
91.05475	11.0
92.02610	7.1
92.05764	0.6
93.07041	32.0
94.07353	1.0
95.04966	28.9
95.08601	20.3
96.05279	1.2
97.10172	0.7
100.02465	2.3
103.05476	3.6
103.06048	0.6
105.03399	6.9
105.04493	5.5
105.07029	5.0
106.06573	1.3
106.07289	0.6
107.04948	6.4
107.08590	32.2
108.08069	0.5
108.08889	1.6
109.06509	1.9
115.05484	1.1
117.03387	1.3
117.05742	1.1
117.07023	3.5
118.03526	1.7
119.04906	1.1
119.08618	2.8
120.08069	0.6
121.06534	2.7
121.10137	28.6
122.09653	0.8
122.10461	1.1
129.09888	0.5
130.06534	2.3
130.07765	1.3
131.04907	3.4
132.08067	2.9
133.02850	34.6
134.03159	2.0
135.04411	36.9
135.08055	1.3
135.11674	5.6
136.04765	1.3
138.03133	1.9
140.56496	0.6
145.02834	1.0
145.06476	1.2
145.10123	3.3
149.94662	0.5
163.03900	100.0
163.07556	3.0
163.11163	10.5
163.12392	1.4
163.14818	22.8
164.04321	6.0
164.06981	0.6
164.10597	0.6
164.15244	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.0
53.03942	7.2
54.19173	0.7
55.01860	3.1
55.05262	1.2
55.05511	13.8
55.43099	0.6
57.07072	24.0
59.04985	0.6
63.02352	0.6
65.03934	2.0
67.05492	5.5
69.03423	2.2
69.07067	13.2
70.67937	1.7
71.04977	0.9
77.03931	2.1
79.05488	30.1
80.04997	0.8
80.05791	0.8
81.03413	1.6
81.07053	16.4
83.08627	5.7
85.02890	1.9
89.03920	13.2
89.06027	14.3
90.04228	0.9
91.05479	22.8
92.02629	2.8
93.03413	0.8
93.07040	29.4
95.04964	18.3
95.06062	1.7
95.08601	13.8
97.07652	1.1
101.09635	1.7
102.04710	0.7
103.05463	100.0
104.05792	2.8
105.03385	3.0
105.04478	3.2
105.07024	15.0
106.06573	1.6
106.07313	1.2
107.04951	69.4
107.07033	2.2
107.08588	56.3
108.05304	1.5
108.08179	0.8
108.08907	1.2
109.06521	2.8
109.10172	0.9
115.05457	9.7
117.03377	8.5
117.07003	12.8
118.07304	0.9
119.04949	1.3
119.06057	1.5
119.08565	3.8
120.05704	6.3
121.06555	3.3
121.10132	22.9
122.07116	2.3
122.10471	0.8
123.07976	1.7
126.05430	0.9
130.06506	2.1
130.07809	1.7
130.21458	0.7
131.04922	89.3
132.05214	4.2
132.08087	1.5
133.02840	13.0
133.06477	1.8
133.10075	1.1
135.04414	28.9
135.08047	17.0
135.11678	9.6
136.07581	15.5
136.08569	1.3
145.02843	5.5
145.06485	4.9
145.07570	1.5
145.10115	4.9
146.07042	1.1
148.05127	0.9
148.08841	1.7
163.03902	47.5
163.07547	29.9
163.09790	4.1
163.11137	20.4
163.12491	1.4
163.14806	15.3
164.04251	2.3
164.06903	1.3
164.08098	1.4
166.76508	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.01571	0.7
51.02374	1.0
53.00285	0.5
53.03938	5.6
55.01860	1.8
55.05507	9.0
57.07065	0.7
62.07507	0.5
62.14101	0.5
63.02362	3.3
65.03935	1.7
67.01865	0.6
67.05492	2.3
68.05019	0.5
69.03424	16.3
69.07064	4.5
71.04998	0.6
71.58161	0.7
77.03918	1.6
79.01834	1.4
79.05486	18.6
80.04977	0.6
81.03419	1.1
81.04530	1.2
81.07059	5.1
83.04955	0.9
83.08614	1.5
89.03912	23.2
90.04240	0.9
91.05475	15.7
92.02625	1.4
92.05785	0.8
93.03396	1.2
93.07039	17.1
95.04959	15.2
95.06065	1.5
95.08595	5.1
103.05457	100.0
104.05791	3.5
105.03392	2.5
105.04472	3.4
105.06310	0.8
105.07022	14.5
106.06523	1.2
106.07305	0.6
107.04948	15.2
107.06050	0.9
107.08586	24.2
108.05675	1.9
108.08880	0.5
109.06510	3.5
109.10188	0.8
115.05444	2.9
117.03368	8.2
117.07013	5.5
118.06543	0.7
119.04848	0.7
119.06078	0.8
119.08564	6.0
120.05663	1.0
120.09357	1.0
121.06495	39.7
121.10128	13.5
122.07143	2.1
123.08050	6.0
129.06993	1.0
130.06511	1.7
130.07753	2.7
131.04916	93.6
132.05231	3.7
132.08093	1.9
133.02846	7.4
133.06439	3.5
133.10135	0.9
135.04405	24.0
135.08046	13.1
135.11662	6.4
136.04761	1.0
136.07556	1.3
136.08603	1.3
145.02872	7.1
145.03964	1.1
145.06494	3.1
145.10103	7.5
147.08060	1.6
148.08795	5.5
163.03894	60.4
163.07532	34.3
163.09831	2.8
163.11154	51.4
163.14799	4.7
164.04361	3.0
164.07872	2.0
164.11543	1.9
164.14316	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02374	1.1
53.03945	4.6
54.42122	0.4
55.01874	2.6
55.05508	2.5
62.01594	0.5
63.02371	1.4
64.47863	0.4
65.03926	1.4
67.05509	3.0
68.05043	1.1
68.99778	0.7
69.03429	3.0
69.07050	3.4
69.36637	2.0
69.37070	2.4
77.03927	1.5
79.05488	20.0
80.04992	0.8
80.05811	0.9
81.03409	1.6
81.04548	1.1
81.07055	3.8
82.05342	0.8
83.04983	1.1
83.08640	0.7
84.08127	0.6
85.02928	0.7
89.03914	30.9
90.04234	1.1
91.05474	12.6
92.02603	1.8
93.04507	0.6
93.07035	17.3
95.04964	16.4
95.06050	1.0
95.08586	3.4
97.07642	0.7
100.02393	0.5
102.04661	0.7
103.05462	57.3
104.05773	1.4
105.03394	2.7
105.04520	2.8
105.07020	12.2
106.06552	2.3
106.07288	0.7
107.04950	19.3
107.06058	1.0
107.08596	17.2
108.05622	1.5
108.08159	0.5
108.08921	1.0
109.06534	2.4
109.07649	0.7
115.05454	3.0
116.06306	0.5
117.03370	21.3
117.05763	1.3
117.07008	8.7
118.03661	0.9
119.04931	1.7
119.06039	0.7
119.08579	5.5
120.05657	0.7
121.06504	6.5
121.10130	11.0
122.07166	3.2
123.08002	1.7
128.06296	0.6
130.06520	3.9
130.07750	2.9
131.04922	54.0
132.05255	2.6
132.08083	4.0
133.02850	12.2
133.06470	4.2
135.04408	51.4
135.08025	7.1
135.11685	5.7
136.04730	2.1
136.07553	4.3
136.08665	1.5
138.03108	0.7
143.08551	1.0
145.02843	12.8
145.03914	1.0
145.06494	2.2
145.10117	12.7
146.03128	0.6
147.04405	0.8
147.08052	4.8
148.05086	0.8
148.08818	14.6
160.62209	0.4
163.03900	63.4
163.07538	21.3
163.09865	5.2
163.11159	100.0
163.14755	3.0
164.04433	3.2
164.06927	0.9
164.11569	4.3
181.02791	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.04152	0.5
51.02377	0.9
51.36986	0.4
53.03949	5.2
55.01875	2.9
55.05520	1.0
57.03420	0.9
65.03935	1.3
65.54980	0.4
67.05513	3.5
68.05041	0.5
68.99801	0.5
69.03436	2.3
69.07060	1.6
70.87000	1.2
70.94763	0.5
77.03949	1.4
78.04661	0.4
79.05493	23.2
80.62199	0.5
80.68633	0.5
81.03419	2.1
81.04529	0.6
81.07060	3.4
83.04977	0.7
83.08613	0.6
84.08152	0.6
85.02917	2.6
89.03915	7.7
91.05479	18.6
92.02622	1.6
92.05763	0.6
92.06275	1.3
93.07041	10.0
95.04971	15.0
95.06042	0.7
95.08625	3.2
96.06886	0.8
97.02890	0.4
103.05466	86.3
104.05789	2.9
105.02185	0.4
105.03391	3.1
105.04492	2.3
105.07030	14.8
106.06548	1.0
107.04952	100.0
107.08595	11.6
108.05206	3.2
108.08932	0.5
109.06524	1.5
115.05451	11.5
117.03369	4.7
117.07018	8.3
119.04929	1.4
119.06083	0.8
119.08596	2.4
120.05718	8.3
120.08105	0.6
121.06530	3.6
121.10147	6.0
122.07167	1.4
123.07992	0.5
130.06502	2.1
130.07762	1.2
131.04927	63.0
132.05235	2.2
132.08096	2.3
133.02847	7.8
133.06505	3.7
135.04414	17.8
135.08054	18.6
135.11682	2.1
136.04860	0.6
136.07570	2.8
136.08611	1.4
145.02829	2.5
145.06511	8.6
145.07622	1.7
145.10123	4.6
146.07065	0.9
148.05215	0.8
148.08835	1.3
156.21567	0.5
163.03911	30.5
163.07542	31.0
163.09807	2.8
163.11186	15.7
163.14822	3.0
164.04285	1.6
164.06902	0.6
164.08107	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02369	0.8
53.03933	2.2
55.01857	0.4
55.05497	0.4
65.03930	0.6
67.05483	0.4
69.03427	0.4
69.07038	0.6
69.31409	2.1
69.31837	2.0
71.37733	0.4
73.84483	0.3
77.03910	0.9
77.21423	0.4
79.05489	5.3
81.07054	1.4
89.03915	3.6
91.05476	4.3
92.02634	0.4
92.12257	0.3
93.06543	0.4
93.07014	2.2
95.04963	4.6
95.08621	0.8
98.20760	0.6
102.04702	0.7
103.05460	100.0
104.05778	3.3
105.03359	0.8
105.04512	1.0
105.07025	2.2
107.04947	11.7
107.08588	4.2
109.06485	0.4
111.03011	0.3
115.05471	1.8
117.03356	2.8
117.07015	1.5
119.08554	0.7
120.05698	1.0
121.06487	1.4
121.10141	1.6
122.07134	0.4
127.07479	0.5
130.06454	0.4
131.04919	97.9
132.05222	3.4
133.02856	2.1
135.04395	7.7
135.08051	3.8
135.11671	0.4
136.07550	0.7
145.02864	1.1
145.06456	0.7
145.10086	1.4
148.05226	0.7
158.70921	0.4
163.03891	8.9
163.07535	38.1
163.09767	1.0
163.11093	2.9
163.14793	0.5
164.07880	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.01605	0.5
51.02374	0.8
51.17312	0.4
53.03947	5.5
54.03479	0.4
55.01867	2.7
55.05509	11.1
57.03429	1.1
57.07069	1.2
58.46183	0.4
61.02916	1.1
62.67804	0.4
65.03936	2.3
66.37354	0.4
67.05505	3.4
68.05035	1.2
68.99783	0.7
69.03423	4.1
69.07056	2.7
69.10696	0.4
69.44144	3.5
70.06577	0.4
71.04971	0.6
72.08134	0.7
73.02897	0.7
73.31213	0.3
77.03895	2.0
77.28252	0.4
79.05491	24.7
80.05016	1.0
80.05844	0.7
81.03412	2.9
81.04533	1.3
81.07056	4.9
82.05327	0.6
82.06566	0.6
83.04967	1.3
83.08617	4.9
84.08131	0.6
85.02420	0.8
85.02900	7.7
89.03909	7.2
91.05478	21.0
92.02598	2.0
92.06295	0.9
93.03407	0.5
93.05762	0.5
93.07040	13.5
95.04965	19.3
95.06113	1.1
95.08596	4.0
97.02889	1.5
97.06542	0.5
97.07647	0.5
98.20805	1.0
100.07614	1.1
100.09433	6.7
100.11250	17.0
103.05463	87.0
104.05758	2.7
105.03403	4.1
105.04498	3.3
105.07024	14.7
105.75520	0.3
106.06536	1.4
106.07301	0.5
107.04951	100.0
107.08590	14.8
108.04553	0.6
108.05308	2.3
108.08126	1.4
109.06503	1.5
109.07649	1.1
111.04430	1.1
112.07722	0.4
115.05450	9.7
117.03377	5.2
117.05716	1.2
117.07014	6.8
117.70930	0.4
118.06513	0.4
119.04929	2.9
119.06084	1.0
119.08580	4.1
120.05714	10.0
120.08113	0.7
120.97906	0.9
121.06510	4.6
121.10136	7.0
122.06046	0.5
122.07144	3.1
122.10513	0.4
123.07962	2.0
126.05540	0.7
127.03906	0.8
128.07057	0.7
130.05704	0.4
130.06560	2.5
130.07745	2.0
131.04924	68.2
132.05241	2.9
132.08076	2.3
133.02853	12.9
133.06447	2.3
134.03210	0.6
135.04416	22.8
135.05392	0.8
135.08046	17.7
135.11655	3.2
136.04759	1.1
136.07578	23.3
136.08611	1.8
138.03197	0.4
138.98914	0.5
140.07153	0.9
143.08511	0.7
143.11836	0.7
145.02843	3.0
145.03896	0.7
145.06474	3.1
145.07617	1.9
145.10129	5.8
146.07104	1.1
146.10461	0.4
147.04311	0.5
147.08026	0.8
148.05200	1.1
148.08829	1.3
154.12271	0.6
163.03900	56.1
163.07536	29.5
163.09766	4.6
163.11172	15.4
163.12323	1.4
163.14803	4.0
164.04269	1.5
164.06863	2.7
182.15372	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	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02373	0.8
53.03939	1.6
53.98766	0.3
58.42420	0.4
58.94902	0.4
63.02082	0.7
63.02350	2.6
65.03942	0.4
69.79175	1.9
69.79595	1.0
77.03943	0.8
79.05488	13.8
89.03911	83.5
90.04229	2.2
91.05489	1.0
95.04959	6.9
103.05459	70.3
104.05780	2.6
105.04500	1.0
105.07050	0.7
107.04945	15.2
107.08598	1.2
117.03371	59.5
118.03709	1.8
119.05006	0.5
122.03560	0.5
122.07161	0.5
130.06528	0.8
131.04921	77.1
132.05225	3.2
133.02863	1.3
135.04405	100.0
136.04755	4.3
145.02844	36.6
145.03900	2.0
146.03183	1.4
158.05937	0.8
163.03894	66.7
163.07527	27.7
163.09763	0.9
163.11060	0.7
164.04283	3.0
164.07881	1.3
166.22743	0.4
180.67352	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.01591	0.6
51.02368	0.9
51.09401	0.3
53.00278	0.4
53.03947	4.2
53.26798	0.4
54.03466	0.4
55.01867	3.2
55.05505	2.1
57.07054	1.0
63.02364	0.6
65.03931	1.2
67.05496	3.3
68.99773	0.5
69.03416	1.4
69.07064	6.5
71.25025	1.0
77.03915	1.8
79.05488	20.6
80.05774	0.4
81.03413	2.7
81.04511	0.5
81.07053	5.0
83.04961	0.4
83.08610	2.3
89.03909	11.8
90.04228	0.5
91.05474	14.8
92.02603	1.5
92.05772	0.7
92.06295	0.6
93.03389	1.2
93.07037	17.0
95.04961	12.8
95.06065	0.8
95.08607	3.9
102.04681	0.5
103.05457	100.0
104.05774	3.1
105.03371	1.7
105.04475	1.9
105.07018	10.9
106.06539	1.2
106.07265	0.6
107.04945	20.9
107.07350	1.1
107.08583	24.3
108.05510	0.4
109.06483	1.6
109.10197	0.6
110.73222	0.4
111.52308	0.5
115.05449	4.0
117.02611	0.7
117.03366	7.8
117.05730	0.8
117.07005	7.6
119.04921	1.7
119.08574	3.9
120.05693	1.3
121.06493	5.0
121.10126	15.0
122.07160	1.1
122.09662	4.4
122.10435	0.6
123.07998	1.1
130.06540	2.7
130.07777	1.2
131.04916	91.5
132.05206	3.5
132.08073	2.0
133.02841	7.8
133.06512	2.5
133.07405	0.6
133.10149	0.5
134.07274	0.5
135.04405	22.7
135.07109	0.8
135.08041	10.2
135.11659	7.0
136.04747	1.1
136.07536	0.5
136.08563	1.1
143.36905	0.4
145.02832	6.1
145.03893	0.4
145.06458	2.1
145.10110	5.8
146.07054	0.6
147.07996	2.0
148.05151	1.0
148.08823	5.6
163.03894	33.7
163.07533	33.5
163.09813	2.4
163.11153	34.8
163.14798	5.6
164.04362	1.9
164.06845	0.5
164.08008	0.7
164.10666	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.84727	0.2
51.02389	0.5
53.03942	1.3
54.05533	0.2
55.01868	0.5
55.05505	0.7
63.02376	0.4
65.03934	0.3
67.05505	0.3
68.99802	0.2
69.03425	0.9
69.07064	0.7
69.86613	0.6
69.87016	0.7
77.03937	0.8
79.05495	3.0
81.03445	0.3
81.07060	0.7
83.24458	0.2
89.03911	3.6
91.05483	2.6
92.02606	0.4
93.07040	2.2
95.04962	3.8
95.06076	0.3
95.08616	0.6
102.04665	0.3
103.05462	95.3
104.05790	2.7
105.03397	0.6
105.04527	0.9
105.07040	2.1
106.06590	0.3
107.04942	3.6
107.08588	3.2
109.06521	0.3
115.05438	0.5
117.03375	1.6
117.05749	0.5
117.07018	0.9
119.08569	0.6
120.05676	0.4
121.06499	2.5
121.10153	1.5
122.07165	0.4
123.08013	0.6
130.06526	0.7
130.07664	0.3
131.04921	100.0
132.05244	3.8
132.08121	0.7
133.02858	2.3
133.06483	0.8
135.04402	6.1
135.08037	2.2
135.11690	0.9
136.04802	0.3
136.07576	0.4
136.08617	0.4
139.04010	0.2
145.02831	1.4
145.06477	0.6
145.10115	0.9
147.08008	0.4
148.05167	0.7
148.08850	1.1
163.03906	12.7
163.07535	34.5
163.09811	1.0
163.11189	7.1
163.12494	0.6
163.14804	0.8
164.04323	0.5
164.07942	1.5
171.45944	0.2
174.19107	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01609	0.4
51.02373	0.7
53.00268	0.3
53.03944	1.8
55.01862	1.2
55.05499	0.7
63.82973	0.3
65.03934	0.7
67.05499	0.7
69.03446	1.5
69.07059	0.6
70.61506	0.9
75.47739	0.3
77.03528	0.3
77.03930	1.1
78.50623	0.3
79.05489	6.8
80.04984	0.4
80.05824	0.4
81.03418	0.3
81.04570	0.3
81.07040	0.9
84.13776	0.3
85.27433	0.3
89.03909	3.5
91.05485	5.3
92.02611	0.5
93.07035	4.2
95.04972	6.5
95.06068	0.4
95.08597	0.8
97.07630	0.4
102.04675	0.4
103.05460	92.7
104.05782	2.6
105.03413	1.7
105.04510	1.3
105.07024	3.6
107.04952	11.6
107.06048	0.5
107.08593	4.6
115.05463	2.3
117.03368	2.3
117.07008	2.1
119.04932	1.3
119.08572	1.3
120.05743	0.9
121.06505	2.0
121.07233	0.4
121.10130	2.2
122.07134	0.8
123.07906	0.6
130.06506	0.9
130.07771	0.7
131.04921	100.0
132.05193	3.0
132.08043	0.5
133.02844	4.7
133.06436	0.5
135.04414	10.3
135.05397	0.4
135.08049	4.6
135.11681	1.2
136.07574	0.3
137.05952	0.5
145.02864	1.9
145.06465	0.7
145.10091	2.7
148.05191	2.9
148.08788	0.4
163.03899	18.8
163.07535	39.9
163.09772	1.6
163.11082	5.0
163.14847	0.9
164.04216	1.1
164.08038	2.0
164.83000	0.3
167.76195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
51.02385	0.6
52.02336	0.5
53.03724	0.6
53.03944	3.5
55.01855	1.2
55.05500	1.2
59.14895	0.4
60.15115	0.5
63.02368	2.4
65.03933	0.9
67.05502	0.8
69.03429	2.3
69.07059	1.0
71.32960	1.0
77.03923	1.0
79.05490	15.4
81.03416	1.0
81.07054	1.3
85.02930	0.5
89.03911	78.3
90.04256	2.1
91.05484	5.8
92.02601	0.9
93.07037	5.2
95.04955	8.4
95.08593	1.0
97.07738	0.5
103.05460	20.7
103.06149	1.1
105.03369	0.9
105.04489	1.2
105.07012	4.7
107.04950	22.3
107.08582	7.2
108.05605	0.5
109.06551	0.9
115.05447	1.1
117.03371	54.1
117.07000	3.3
118.03696	1.5
119.08550	2.5
120.05639	0.8
121.06493	2.8
121.10107	3.6
122.07181	0.9
123.07973	0.7
130.06537	1.1
130.07791	1.4
131.04918	16.7
132.05309	0.5
132.08096	0.9
133.02853	3.7
135.04402	100.0
135.07919	2.6
135.09959	1.1
135.11678	3.9
136.04767	3.1
136.08704	0.8
145.02837	31.9
145.03830	1.1
145.06485	1.9
145.10068	3.6
146.03186	1.5
148.08804	0.9
163.03894	64.8
163.07532	8.8
163.09743	1.6
163.11168	9.3
163.12476	0.6
163.14806	1.1
164.04208	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.01596	0.3
51.02380	0.6
52.19410	0.3
53.03946	3.6
55.01870	2.0
55.05502	1.0
57.03419	0.4
57.07052	0.4
65.03937	0.8
67.05510	1.4
68.05022	0.5
69.03428	1.5
69.07073	2.1
70.62283	0.9
70.62654	0.7
77.03925	1.5
79.05488	10.9
80.05021	0.4
81.03415	0.9
81.04514	0.5
81.07049	2.7
83.04977	0.4
83.08619	0.7
85.02930	0.9
89.03912	6.3
91.05482	7.7
92.02587	1.1
93.03401	0.5
93.07044	8.7
95.04961	10.3
95.06058	0.6
95.08621	2.8
95.72350	0.4
97.28764	0.4
98.20920	0.4
102.04724	0.4
103.05463	91.8
104.05750	3.3
105.03417	1.9
105.04491	1.7
105.07021	5.6
106.06575	0.9
107.04949	12.9
107.08585	11.1
109.06512	1.0
114.62435	0.3
115.05447	2.1
117.03368	4.0
117.05716	0.6
117.07007	4.2
118.07341	0.4
119.04957	0.9
119.06062	0.5
119.08585	2.3
120.05654	1.0
120.08127	0.5
121.06485	3.7
121.10120	5.6
122.07136	1.2
123.08013	0.7
130.06508	0.7
130.07794	1.3
131.04921	100.0
132.05222	3.8
132.08099	0.9
133.02843	6.6
133.06477	1.4
134.03186	0.6
135.04407	16.4
135.08037	5.8
135.11703	3.6
136.04747	0.5
136.07547	0.8
136.08528	0.7
145.02863	3.1
145.03891	0.7
145.06494	1.6
145.10114	4.5
146.07077	0.4
147.08049	1.1
148.07709	0.6
148.08809	4.4
149.05943	1.3
163.03897	26.2
163.07533	32.7
163.09853	1.4
163.11159	31.6
163.14796	2.7
164.04398	0.8
164.07990	1.4
164.11595	0.9
176.02943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0388
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03945	1.7
53.09013	0.4
55.52781	0.4
58.07885	0.4
62.01603	0.5
63.02359	2.6
70.87002	1.0
70.87336	0.5
77.03922	0.7
79.05487	13.0
89.03913	90.6
90.04243	2.1
91.05499	0.7
95.04951	4.8
103.05437	0.6
107.04952	14.9
117.03371	63.0
118.03711	1.9
133.02881	0.8
135.04405	100.0
136.04756	2.7
141.36530	0.4
145.02838	36.1
145.03871	1.5
146.03168	1.0
163.03897	60.5
164.04253	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03951	2.7
55.01868	1.0
60.99238	0.6
62.01607	0.5
63.02377	2.3
63.61822	0.6
65.03922	0.6
69.03439	0.7
70.05036	0.5
70.09923	2.2
71.01186	0.5
77.03931	0.9
79.05490	11.2
81.03394	0.6
81.04556	0.6
89.03918	81.1
90.04245	2.0
91.05492	1.9
93.07018	0.9
95.04979	6.9
103.05468	65.6
104.05819	1.4
105.04510	1.5
105.07017	0.9
107.04955	15.9
107.08593	1.2
115.05488	0.7
117.03378	59.1
117.07033	0.8
118.03710	2.0
121.06479	1.2
122.07132	0.8
130.06512	0.6
131.04929	68.8
132.05241	2.2
132.08063	0.5
133.02869	1.8
135.04414	100.0
136.04735	2.9
136.08714	0.5
145.02849	38.6
146.03233	1.6
158.06113	0.9
163.03906	66.7
163.07544	26.1
163.09702	1.0
164.04262	1.9
164.07986	0.8
182.78563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
53.90226	0.3
54.91641	0.3
55.01862	0.6
55.05509	7.3
65.03918	0.3
67.05501	0.4
69.03423	0.5
69.07066	4.7
71.11558	0.3
71.56963	0.4
77.03915	0.4
79.05495	5.2
80.38564	0.3
80.78720	0.3
81.07050	2.0
83.08595	0.4
90.04696	0.5
91.05478	13.1
93.07043	2.5
95.04984	1.5
103.05469	4.5
104.06226	0.9
105.07026	34.2
106.07359	1.1
107.08593	2.2
109.06470	0.4
115.05441	3.4
117.07021	4.3
118.04156	4.2
118.07809	0.4
119.08575	100.0
120.08885	3.9
121.06451	0.9
121.10127	5.2
128.06215	1.1
130.07785	0.6
131.04883	1.8
131.08565	5.0
133.06496	4.4
133.10126	28.4
134.06006	0.4
134.07060	0.6
134.10463	0.8
143.08568	1.0
144.09244	0.4
145.06447	0.4
145.10112	0.8
146.03621	1.2
146.07208	0.9
146.10944	1.8
148.50217	0.3
155.00429	0.3
159.11737	1.0
161.05983	10.7
161.08229	0.6
161.09602	4.1
161.13252	24.4
162.06404	0.4
162.13657	0.7
182.50452	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03950	0.8
55.01868	1.0
55.05509	6.3
62.06082	0.3
65.03933	0.4
67.05506	0.7
69.03436	0.4
69.07066	4.4
70.08190	1.0
77.03911	0.4
79.05494	4.4
81.07044	1.6
83.77352	0.2
89.03893	0.3
90.04694	0.7
91.05476	12.2
92.05798	0.3
93.07036	3.4
95.04945	1.4
97.02885	0.3
98.20785	0.3
98.21326	0.4
103.05450	4.2
104.06270	1.1
105.07024	33.1
106.06647	0.4
106.07369	1.1
107.04897	0.2
107.08594	1.9
113.53952	0.2
115.05449	4.1
117.07025	4.7
118.04160	3.6
118.07805	0.4
119.08573	100.0
120.05582	0.3
120.08095	0.4
120.08855	2.9
121.06410	0.6
121.10130	3.9
123.08105	0.3
128.06216	0.8
129.06976	0.4
130.07809	0.2
131.04921	1.5
131.08554	4.5
132.05699	0.2
132.09302	0.5
133.06496	4.3
133.10123	26.1
134.07120	0.4
134.09639	2.7
134.10506	0.6
143.08527	0.9
144.09338	0.3
145.06473	0.4
145.10114	0.7
146.03641	1.5
146.07268	1.2
146.10901	1.8
159.11710	1.4
159.37764	0.2
161.05972	11.3
161.08124	0.5
161.09575	3.9
161.13248	24.5
162.06454	0.4
162.13614	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.01577	0.2
51.02369	0.5
53.03941	2.1
55.01870	4.5
55.05510	0.5
62.03415	0.2
65.03933	0.6
66.04724	2.2
67.05490	0.6
68.02653	0.2
69.03439	0.4
69.07050	0.6
71.57911	0.3
77.03923	0.7
79.05489	22.1
80.05824	0.5
81.03432	0.4
81.07050	1.1
86.21244	0.2
89.03905	1.7
90.04693	3.5
91.05477	6.0
92.02612	0.9
93.07039	1.0
94.04185	0.3
95.04962	6.9
95.08554	0.2
102.04684	0.6
103.05463	27.0
104.05778	0.6
105.04616	1.3
105.07025	100.0
106.07350	2.6
107.04964	1.6
107.08562	0.3
115.05450	30.0
115.60696	0.2
116.05767	0.8
117.06997	0.7
118.04154	21.2
119.04411	0.4
119.08575	5.7
120.05582	0.3
121.06458	0.7
128.06238	0.6
130.04100	0.2
131.04924	5.5
131.08534	0.4
132.05731	1.7
133.06485	42.1
133.10109	3.2
134.06856	1.2
143.04944	0.4
143.06035	3.6
143.08537	0.8
145.06439	0.3
146.03616	1.4
146.07275	0.9
149.06000	0.3
161.05977	9.2
161.08147	0.4
161.09593	3.3
161.13237	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	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02387	0.5
53.03929	2.0
55.01665	0.4
55.01870	4.8
55.05501	0.7
61.23983	0.4
65.03924	0.8
66.04699	1.4
69.07037	0.5
70.60835	1.0
70.61157	0.5
73.24400	0.5
77.03919	0.6
79.05493	22.6
80.05811	0.5
81.07049	0.7
85.66265	0.4
89.03909	1.6
90.04701	4.2
91.05484	6.5
93.04547	0.6
93.07076	0.9
95.04967	5.2
102.04661	1.2
103.05464	26.2
104.05774	0.5
105.04517	1.3
105.07026	100.0
106.07368	3.1
107.04944	1.0
115.05452	31.3
116.05761	0.8
117.06980	1.0
118.04156	21.2
119.04457	0.8
119.08585	6.0
120.05645	0.5
121.06437	1.2
121.33540	0.5
128.06198	1.1
131.04922	5.0
131.08568	0.6
132.05714	1.1
133.06487	45.4
133.10101	4.0
133.37209	0.4
134.06973	1.9
143.06003	3.1
143.08566	2.0
146.03644	1.7
146.07265	1.4
161.05972	12.6
161.08249	1.0
161.09642	7.2
161.13251	3.7
162.05367	0.6
162.06555	0.5
172.45653	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02374	0.5
51.93447	0.2
53.03940	2.8
55.01871	4.9
55.05509	0.7
57.35545	0.2
65.03938	0.6
66.04723	1.9
68.03390	0.2
69.62802	0.6
69.63218	1.4
77.03942	0.8
77.82581	0.2
79.05492	22.3
80.05836	0.3
81.03410	0.4
81.07027	0.3
89.03899	1.5
89.37033	0.2
89.76917	0.2
90.04700	4.7
90.35914	0.3
91.04963	0.2
91.05479	4.8
92.02625	1.1
93.07075	0.3
94.04198	0.6
95.04966	7.2
101.57284	0.3
102.04678	0.8
103.05465	27.5
104.05753	0.4
105.04610	1.5
105.07027	100.0
106.07348	2.5
107.04964	1.0
107.08606	0.4
115.05452	30.1
116.05782	1.1
117.07008	0.8
118.04160	22.0
119.04516	0.5
119.08577	4.6
121.06433	0.4
121.10149	0.3
128.06198	0.6
131.04922	5.0
131.08589	1.1
132.05748	1.3
133.06490	42.6
133.10109	5.0
134.06839	1.7
143.04967	0.4
143.06029	4.1
143.08540	0.5
146.03625	0.6
146.07210	0.5
161.05981	5.9
161.08063	0.6
161.09608	2.7
161.13283	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
52.91566	0.9
53.03946	4.0
55.01866	6.3
56.96566	1.6
66.04718	1.3
69.03435	1.1
69.45112	6.4
77.03923	0.9
79.05494	23.7
89.03905	2.3
90.04709	4.6
91.05479	8.1
92.02604	0.8
93.04511	1.0
95.04971	7.4
98.97639	0.8
102.04684	1.0
103.05470	28.3
103.99784	0.7
105.07031	100.0
106.07367	2.6
107.04926	2.6
111.03056	0.8
115.05457	27.7
115.06267	1.5
116.05786	1.1
117.07058	1.0
118.04163	21.4
119.08581	4.2
120.05585	1.2
121.06431	2.4
131.04959	5.9
132.05675	1.1
133.06494	43.9
133.10132	4.0
134.07005	2.7
143.05070	1.0
143.06070	3.1
146.03668	1.9
146.07259	1.3
149.05928	0.7
161.05965	10.3
161.07068	1.3
161.08304	1.2
161.09598	6.0
161.10838	1.3
161.13284	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02371	0.3
53.03938	2.4
55.01869	4.6
55.05497	0.7
57.51511	0.2
63.02370	0.5
65.03933	0.5
66.04718	2.1
69.07068	0.3
71.17665	0.6
76.16422	0.3
77.03915	0.8
79.05487	24.4
80.05817	0.5
81.03413	0.4
81.07048	0.3
81.46109	0.2
82.21204	0.2
82.81712	0.2
89.03912	1.7
90.04700	4.9
91.05077	0.2
91.05477	5.3
91.06020	0.4
92.02606	1.1
92.05829	0.4
93.04527	0.3
93.07032	0.4
94.04181	0.6
95.04965	7.4
100.11212	0.2
102.04691	0.9
103.05460	28.6
104.05803	1.0
105.04625	1.3
105.07022	100.0
106.07342	2.8
107.04945	1.4
107.08627	0.3
115.05447	31.9
116.05766	1.3
117.06996	1.2
118.04150	22.4
119.04456	0.6
119.08566	5.4
120.05628	0.3
121.06411	1.0
121.10143	0.4
128.06194	0.6
131.04919	5.4
131.08559	1.6
132.05675	1.5
133.06482	45.8
133.10115	6.3
134.06816	1.7
140.57260	0.2
143.04919	0.5
143.05998	3.5
143.06950	0.4
143.08546	0.7
146.03618	1.0
146.07248	0.7
146.10930	0.3
161.05978	8.0
161.08060	1.4
161.09619	3.5
161.13249	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	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20815	0.3
56.96566	1.2
58.99867	0.2
66.97411	0.2
70.42812	0.6
70.43217	0.5
82.99832	0.5
98.20913	0.3
98.97572	1.2
100.02480	0.5
100.97240	0.3
101.00870	9.5
102.00967	0.6
102.96873	0.4
108.78709	0.2
113.30499	0.3
116.98623	0.9
118.03521	0.5
119.01913	100.0
120.01989	7.1
120.97888	0.4
121.01659	0.9
121.02396	0.4
125.70818	0.3
133.03459	0.2
134.61081	0.2
134.99644	0.7
136.48387	0.3
136.82298	0.3
137.02950	54.6
137.18373	0.2
138.03053	3.1
138.96405	0.6
138.98903	0.5
139.02577	0.3
139.03500	0.3
142.03484	3.5
143.03629	1.5
144.03253	0.5
145.48851	0.3
156.97481	6.9
157.03543	0.3
157.98587	0.3
160.04556	1.5
161.02943	2.8
161.04619	1.3
162.04259	0.6
171.03046	0.3
174.98523	8.9
179.03976	5.2
179.05438	0.4
179.99069	2.0
180.05376	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21852	0.3
56.96572	1.0
69.36830	4.4
75.01828	0.4
82.99860	0.6
85.68416	0.4
98.97594	1.6
99.97921	0.7
100.02483	0.7
100.97243	0.4
101.00875	11.5
116.98634	1.3
117.98933	1.0
118.01698	0.5
118.03512	5.2
118.96777	0.5
119.01920	100.0
120.02042	1.7
120.03256	0.7
121.01676	1.6
124.02478	1.1
134.99664	1.4
135.99988	0.8
136.02739	2.3
136.04536	5.0
137.02954	43.9
138.03055	0.9
139.02647	0.9
142.03499	23.0
143.03624	1.4
160.04549	25.7
161.02954	1.5
161.04652	0.7
165.05110	0.5
178.05614	10.1
179.04001	2.8
179.05496	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0916
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
53.03930	1.2
55.01856	1.5
55.05487	3.1
56.05032	12.7
56.96560	24.0
57.03417	2.7
57.07056	1.0
57.93555	1.0
58.02954	2.6
58.06575	3.2
59.06131	6.7
59.93118	6.3
60.04506	4.2
61.02906	0.9
64.05005	0.9
67.05492	1.8
68.05009	3.6
69.03412	2.7
69.04530	1.0
69.07069	1.1
70.02293	1.0
70.02969	0.9
70.06570	2.1
71.04973	1.3
71.06112	2.3
71.56538	1.1
71.95245	3.8
72.04489	3.5
73.95674	3.1
74.06056	2.1
75.04470	1.0
76.03979	3.2
76.93351	2.7
77.94136	1.5
79.05437	1.2
81.04500	1.0
81.07047	1.8
82.02911	1.0
83.06108	1.2
84.04501	6.5
85.02876	3.2
85.07623	1.4
86.02405	1.9
86.06044	2.5
86.08422	1.3
86.90158	0.9
88.07596	1.0
91.05464	6.2
94.94405	1.1
95.04955	1.7
95.06094	6.2
95.95165	2.5
96.04474	3.3
97.02879	1.6
97.07645	1.2
98.06029	1.3
98.97577	23.3
99.04448	1.4
99.05574	5.8
99.08096	1.1
100.03931	3.0
100.05885	1.2
100.07607	1.8
100.11233	2.4
101.02311	1.2
102.05527	4.4
103.05430	3.5
104.04963	1.0
105.06982	4.3
111.05547	2.5
113.02356	3.1
113.07133	7.6
114.05511	3.2
115.04710	1.6
115.05464	30.1
116.97266	2.0
116.98610	41.7
117.05775	18.6
117.06549	2.6
117.07006	1.4
117.95968	2.3
117.96781	1.0
117.97570	1.7
117.98921	1.6
118.06557	5.5
118.96761	21.0
119.01859	2.3
119.08575	1.1
123.05538	1.2
127.00237	1.3
129.06981	1.9
130.06516	27.4
131.04890	4.1
131.05809	0.9
131.06847	4.9
131.08571	5.7
132.08086	100.0
133.08398	2.5
133.99019	1.7
134.01260	1.1
134.99649	67.1
135.97018	3.1
135.99966	3.1
137.02869	1.9
140.04895	1.4
141.01814	9.8
141.06566	6.3
141.98305	1.2
142.06511	39.7
143.06981	1.5
144.09296	0.9
146.99631	1.2
150.95651	3.1
153.00700	20.1
153.96669	6.6
154.96431	6.9
158.01299	4.8
158.08311	2.1
159.02953	1.6
159.04404	1.5
159.07773	8.4
159.09142	76.0
159.11665	5.0
160.04654	1.0
160.07565	18.9
160.09575	2.6
171.97717	1.2
172.97523	2.2
176.02222	1.3
177.00719	2.2
177.98096	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
55.05496	0.9
56.02191	0.8
56.05023	0.3
56.96564	2.7
57.03419	0.9
57.07067	0.7
57.93529	0.3
58.06590	3.9
65.03922	0.4
67.05496	0.8
68.99813	0.3
69.03413	1.1
69.07051	0.3
70.04060	1.2
70.06200	0.5
70.06587	7.8
70.42252	1.0
71.01338	1.1
71.04959	0.8
71.07364	0.5
72.04515	1.9
72.08158	2.5
77.00867	0.4
84.08134	0.7
84.30029	0.4
85.02891	0.7
86.06081	0.4
87.04420	0.4
95.04957	1.7
97.02914	0.6
98.06039	1.5
98.09694	2.4
98.97575	2.3
99.04464	0.4
100.07578	0.5
101.00875	0.7
102.05531	1.8
102.09161	1.0
111.04423	0.3
112.07599	2.3
112.08709	1.3
112.11229	1.4
113.02342	0.5
114.05492	0.4
116.07082	0.8
116.97292	1.8
116.98612	4.0
118.03549	0.4
119.01910	5.6
121.01634	1.0
127.00268	1.9
130.06540	0.4
130.12163	0.3
131.01978	0.4
134.02992	0.4
134.99655	4.2
135.03146	0.4
137.02977	1.8
139.02646	0.6
140.07056	0.9
140.10706	0.6
141.01793	2.0
144.99817	0.4
152.96930	0.7
153.00699	1.1
158.01378	0.4
158.09602	6.7
158.11755	100.0
159.02939	0.5
159.12103	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	158.1177
Annotation	Homostachydrine
Peak:m/z	Relative Intensity
55.05503	0.2
56.05019	0.2
56.96566	0.5
57.03434	0.2
58.06598	4.0
61.10916	0.1
67.05508	1.3
69.03422	0.1
69.07069	0.6
70.04068	0.3
70.06592	1.1
70.88772	0.1
71.04988	0.5
71.07370	0.6
71.57238	0.1
72.04167	0.1
72.04521	1.7
72.08147	0.2
73.06535	0.1
74.06054	0.2
79.05471	0.1
82.06580	0.2
84.08168	0.4
85.02906	0.1
85.06522	0.2
86.09692	0.1
87.04450	0.3
94.06604	0.1
95.04973	0.9
97.02877	0.2
97.06522	0.1
97.08879	0.1
98.09687	2.3
98.97581	1.0
101.16286	0.1
102.05538	1.7
112.07544	0.1
112.08732	0.6
112.11246	1.5
113.05992	0.1
116.98631	0.9
119.01907	0.3
121.01621	0.1
122.09657	0.1
130.06512	0.1
130.12175	0.1
131.01959	0.1
133.03424	0.1
133.84581	0.1
134.99640	0.5
140.10696	0.7
142.08624	0.1
158.11763	100.0
159.12117	3.4
171.05003	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1176
Annotation	Homostachydrine
Peak:m/z	Relative Intensity
53.00291	0.3
53.03948	0.3
55.01867	1.9
55.05499	1.1
56.02212	1.6
56.05029	0.9
56.96567	4.7
57.03419	1.2
57.07063	1.1
57.63989	0.2
57.93560	1.3
58.06596	4.8
60.04527	0.4
61.02916	0.3
67.05502	1.4
68.05035	0.3
68.99769	0.4
69.03432	1.4
69.07050	1.2
70.02930	0.3
70.04063	1.1
70.06594	10.1
70.32615	1.0
71.01347	2.0
71.04987	1.2
71.07370	0.4
71.95262	0.5
72.04504	1.7
72.08155	3.4
72.08793	0.3
73.02900	0.4
74.06070	0.4
75.04477	0.3
75.94587	0.3
77.00919	0.4
79.05511	0.4
81.03366	0.6
81.07050	0.5
83.04967	0.4
84.01659	0.4
84.04504	0.6
84.05246	0.3
84.08131	1.2
85.02902	1.1
85.06522	0.3
85.15368	0.2
86.06049	0.5
86.09689	0.3
87.04441	0.6
88.45051	0.2
91.05479	0.4
93.95609	0.5
95.01328	0.4
95.01931	0.3
95.04975	1.9
95.08635	0.4
97.02883	0.6
97.06522	0.5
98.06052	2.0
98.09687	2.3
98.97581	3.3
99.04411	0.8
100.02483	0.3
101.00868	0.9
102.05528	1.4
102.09182	1.2
105.07036	0.4
110.06020	0.3
112.05102	0.2
112.07597	3.2
112.08743	1.2
112.11246	1.9
113.02381	1.3
113.05959	0.5
113.07115	0.3
114.05525	0.7
115.02438	0.3
116.07100	1.2
116.97255	3.8
116.98615	5.1
118.03501	0.6
119.01923	8.2
120.02042	0.4
120.03210	0.3
121.01666	1.6
127.00271	3.3
128.07097	0.4
130.06496	0.5
131.01884	0.7
131.08543	0.6
131.99510	0.3
133.03441	0.5
134.02989	1.2
134.99663	8.5
135.03168	0.6
136.04559	0.3
137.02939	3.2
139.02707	1.1
139.98817	0.3
140.07042	1.8
140.10681	1.1
141.01813	2.1
142.03526	0.4
143.01920	0.3
143.07243	0.3
144.99866	0.4
145.03448	0.3
147.01439	0.3
148.96202	0.6
149.02948	0.4
152.96924	1.6
153.00708	2.1
157.03487	0.3
158.01364	0.7
158.08159	2.1
158.09621	9.1
158.11758	100.0
159.02899	0.7
159.10101	0.4
159.12144	3.1
170.97978	0.3
175.98567	0.3
177.00795	0.4
177.02348	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.0
56.96566	37.7
62.08596	0.8
71.34171	1.6
71.95272	5.5
72.80624	0.8
77.00910	0.9
98.97585	100.0
99.97915	1.5
100.02428	1.4
101.00870	1.7
103.00636	1.4
106.94739	0.8
116.98623	97.5
117.02236	1.2
117.98956	1.5
118.03497	2.5
119.01134	1.6
119.01920	17.3
120.01970	4.7
120.97974	0.8
121.01672	8.1
127.00728	1.1
127.50840	0.9
128.00662	2.5
132.02759	1.3
132.96608	1.9
133.01636	2.1
134.02960	5.4
134.04836	4.7
134.99661	71.9
135.03094	1.6
136.00027	1.0
136.04524	0.8
137.02962	5.6
139.02641	1.8
140.00209	2.6
141.00443	1.1
141.50604	1.7
143.00230	4.1
144.52809	1.0
145.03455	4.5
146.03609	6.1
147.03200	5.7
148.01201	0.9
149.03485	1.8
152.05835	5.0
153.00708	12.0
158.01237	3.6
158.09621	1.8
161.01225	4.3
163.02650	1.3
164.04716	1.0
170.03531	0.9
175.75812	0.8
176.05847	3.1
176.97453	2.2
176.99306	1.2
177.00916	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	156.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
55.05539	2.2
55.93555	2.5
56.05070	1.5
58.93257	0.5
59.06136	1.4
60.04556	1.2
67.05534	2.2
68.05863	1.4
69.03445	0.7
69.07090	1.1
69.32860	1.3
69.33257	6.2
70.06626	0.9
70.95864	31.5
71.05019	1.4
72.01738	0.6
72.04524	0.8
72.05347	1.2
72.93790	33.2
73.93875	1.1
74.93845	1.5
79.05539	0.6
81.04543	1.2
81.07077	1.1
82.06616	1.6
82.07409	1.4
83.05005	1.6
84.08163	0.9
85.06564	0.6
87.26286	0.5
88.96902	13.1
88.97404	0.8
90.94827	9.5
91.05518	1.2
93.07070	1.3
95.04984	1.1
95.08634	1.1
96.08144	0.7
96.08941	1.4
97.02917	0.8
97.04019	1.4
97.06545	1.1
97.07676	1.5
98.07236	0.8
99.05634	0.8
105.60819	0.6
106.97971	2.5
108.95844	3.1
110.06083	1.2
110.07046	0.8
110.10543	2.0
111.04466	1.1
111.05600	1.1
111.08080	0.7
111.98480	11.2
113.07155	0.7
113.96421	2.5
114.05529	0.8
114.06657	0.9
114.94765	0.6
115.05455	12.2
115.96449	0.9
116.05766	0.7
128.06250	3.3
129.07008	3.0
129.99510	8.6
131.97467	2.3
132.95828	25.5
133.06491	4.0
138.06641	2.1
141.06989	100.0
142.07268	4.8
143.06041	2.4
150.96886	80.3
151.97093	2.5
153.06972	0.7
155.08557	17.7
155.97412	3.4
156.06544	1.3
156.08035	5.9
156.09325	57.2
157.06393	0.7
157.08571	0.7
157.09669	3.0
168.97931	5.6
173.98512	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	155.1066
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
52.86359	1.2
53.03938	4.0
55.01862	4.0
55.05513	33.7
55.93512	2.3
57.03439	7.3
57.07077	8.8
57.44772	1.1
59.05011	5.3
59.06123	1.6
59.93715	1.0
61.22313	1.1
65.03939	6.1
67.05504	100.0
68.05820	2.2
69.03426	4.5
69.07060	12.1
69.96159	4.3
70.95866	32.0
71.00964	1.5
71.01356	25.0
71.04993	78.6
71.16319	1.8
71.16655	1.6
71.94087	2.0
72.08155	1.2
72.93788	69.1
73.93857	1.2
79.05495	11.1
81.03404	4.1
81.07056	61.1
82.06572	1.9
82.07373	2.7
83.04987	12.7
85.02937	2.9
85.06531	7.3
88.96901	11.1
90.94827	21.3
91.05485	8.6
93.07055	11.2
95.04970	26.0
95.06015	1.2
95.08607	63.5
96.08945	1.8
97.02920	1.8
97.06512	5.2
97.07623	1.2
98.98457	4.7
99.04455	45.5
99.08118	2.8
105.04567	1.2
106.97936	2.2
107.08578	5.0
108.95828	2.9
109.02870	4.3
109.06514	24.1
109.10155	89.1
110.06075	1.3
110.06898	1.7
110.10495	3.3
111.04452	11.1
111.05556	1.4
111.08071	6.1
111.98482	9.4
112.01601	1.7
112.08739	2.6
113.05997	14.8
113.09697	1.7
113.96407	18.8
119.08559	4.6
123.04427	3.8
127.02982	1.2
127.03850	5.8
127.07560	3.4
128.06180	1.2
129.05437	1.3
129.99516	7.7
131.96242	2.8
131.97432	20.6
132.95825	25.1
137.05952	3.0
137.09631	14.4
140.04668	3.1
140.06590	1.4
141.06985	10.5
143.63303	1.1
149.97202	14.4
150.96884	77.0
153.07018	1.6
154.99004	1.6
155.03371	4.5
155.07133	14.0
155.08990	24.7
155.10516	8.6
155.97389	3.1
156.09312	7.4
167.98253	2.6
168.97945	5.8
172.98776	1.1
173.98502	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	155.1065
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
51.88368	1.3
53.03941	3.8
55.01860	3.2
55.05509	35.7
57.03436	8.1
57.07072	9.0
59.04991	6.5
64.12849	1.3
65.03930	2.5
67.05500	100.0
68.05823	2.8
69.03430	3.4
69.07056	8.3
70.95852	3.8
71.01348	24.5
71.04990	87.9
71.08342	1.7
71.08680	2.6
72.05346	1.5
72.93780	11.1
79.05492	11.0
81.03432	1.9
81.07050	50.8
81.31765	1.3
82.07393	3.5
83.04987	6.7
83.08613	2.1
85.02895	1.7
85.06532	5.8
88.96934	1.4
90.94835	2.0
91.05457	8.1
92.75731	1.5
93.07030	11.7
95.04958	28.3
95.08599	58.4
97.06520	2.2
98.20991	1.3
99.04450	45.1
99.08093	5.5
101.06051	1.3
107.08575	5.9
109.06502	10.2
109.10150	85.3
110.06849	2.6
110.10482	2.2
111.04434	3.1
111.06339	2.6
111.08073	4.6
113.06000	7.4
113.09690	2.1
113.96409	2.6
119.08566	3.6
123.04394	3.1
127.07561	1.5
131.97392	2.4
132.95836	5.5
137.09607	13.1
138.06665	1.4
140.06628	1.7
141.06978	1.8
150.96889	11.0
154.14723	1.3
155.07024	3.7
155.08995	24.3
155.10567	8.1
156.09232	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
54.24693	0.5
54.93827	3.9
55.01869	1.9
55.05504	4.3
55.93523	2.7
55.94617	4.4
56.05039	1.0
56.74406	0.5
56.94313	0.9
56.96563	19.1
57.03430	2.0
58.06599	0.9
58.99855	2.7
61.02925	1.1
65.03941	2.6
67.05500	3.1
68.05038	1.3
69.03421	3.6
69.07077	1.1
69.40872	1.9
69.41299	2.6
69.96172	24.1
70.06592	2.9
70.95860	16.4
71.01363	0.9
71.04987	1.5
71.93010	0.7
71.94099	10.7
71.95233	0.6
72.04517	0.8
72.08159	1.4
72.93786	31.3
73.02914	1.6
73.95669	1.2
74.97608	0.7
77.00896	4.0
79.05492	1.7
81.03413	4.5
81.07049	4.5
82.05344	0.7
82.06577	1.6
83.00787	1.2
83.04981	5.2
83.06087	4.7
84.01583	0.9
84.04489	0.9
84.08160	0.6
85.02901	3.9
85.06549	0.6
85.95645	0.7
86.06079	1.7
87.97215	1.8
88.96895	8.5
89.00870	0.8
89.95125	3.6
90.94823	12.8
91.05492	1.8
92.01317	1.4
93.04538	2.1
95.01357	1.0
95.01929	1.1
95.04972	5.1
95.06094	3.5
95.08605	1.0
96.04497	2.0
96.08119	0.7
97.02895	1.7
97.07654	7.8
98.06040	0.6
98.21530	1.0
98.97597	2.4
98.98460	3.3
99.04440	2.8
100.02483	5.4
101.00874	4.3
101.02567	0.6
103.02441	2.7
103.96687	0.9
104.01278	0.8
105.00359	1.3
105.02061	0.6
106.97947	2.0
107.96122	0.8
108.08087	0.8
108.95855	4.2
109.02868	5.4
109.06522	4.8
109.07635	0.6
109.10144	1.1
110.06008	1.2
110.07158	30.0
110.09692	1.2
110.97579	0.9
111.04443	6.3
111.98465	6.0
112.07609	0.8
112.10030	0.6
112.96702	1.0
113.00854	4.7
113.02406	1.1
113.06000	5.8
113.95126	0.6
113.96374	7.0
113.97053	0.7
114.00990	0.5
114.04022	0.6
114.05483	0.5
114.10229	0.6
116.98610	3.4
116.99335	0.6
118.01157	1.0
118.03514	5.3
119.01913	39.3
120.02010	2.2
120.08047	0.6
121.01682	1.4
121.03471	2.7
121.97746	0.7
123.04430	0.6
125.10667	0.7
127.03899	5.2
127.07579	1.7
128.98586	1.4
129.05499	1.8
129.99503	5.2
131.01900	81.0
131.96150	30.5
131.97421	8.5
131.99687	0.8
132.01935	7.0
132.05051	8.2
132.95816	13.7
133.01677	1.5
133.03479	3.9
134.99661	2.1
137.02979	17.3
137.05928	2.4
137.06985	1.0
137.10707	1.2
138.03012	0.9
138.09132	2.3
139.39861	0.6
140.04660	0.9
142.03493	5.6
145.03490	0.9
146.03577	0.6
146.99622	3.4
149.01140	1.1
149.02953	33.7
149.97192	100.0
150.02951	3.0
150.06123	7.2
150.96866	50.4
151.04512	1.8
151.97556	0.8
153.00836	0.5
154.03482	3.9
154.90717	1.1
154.97736	3.8
154.98930	0.9
155.02083	4.3
155.03398	4.0
155.05464	1.0
155.07019	8.8
155.08185	1.4
155.11797	6.2
155.97411	2.5
156.05078	0.9
156.06462	0.9
156.07672	1.7
156.10188	1.0
157.03455	0.9
158.99684	0.6
160.04596	3.2
165.00731	0.9
167.96913	1.1
167.98257	15.5
168.97952	3.8
172.04579	0.6
172.95316	0.9
172.98802	6.9
173.01335	0.9
173.02930	10.4
173.98453	3.5
174.06145	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01862	0.4
55.05511	6.6
56.05024	0.7
57.03431	0.5
57.07052	0.3
58.06590	0.3
63.82324	0.2
64.11575	0.2
65.03925	0.5
67.05502	4.4
68.05008	0.5
68.96299	0.3
69.03413	0.7
69.07056	0.7
69.93466	0.5
69.93860	0.5
69.96127	0.2
70.06603	1.2
71.01346	0.9
71.04987	2.6
71.94101	0.3
72.08160	0.2
72.93784	2.7
79.01859	0.3
79.05489	2.6
80.02174	0.7
80.05793	0.2
81.03408	0.3
81.07053	9.9
82.06581	1.3
82.07376	0.3
83.04985	0.6
83.07358	0.6
83.08618	1.5
84.04478	0.5
84.08122	0.5
85.02888	0.4
85.06557	0.3
90.94814	0.7
91.05477	1.3
93.05769	0.6
93.07010	0.4
94.06555	0.3
95.04950	1.7
95.06054	0.4
95.08600	2.5
96.04447	1.1
96.08133	0.5
97.05270	3.4
97.06545	0.3
98.06047	3.1
98.09698	2.5
98.20939	0.3
98.21453	0.2
98.98434	0.4
99.04451	2.1
99.08065	0.2
108.08118	3.6
108.08835	0.2
109.05794	0.4
109.06516	6.8
109.07634	0.5
109.10159	3.6
110.06041	5.3
110.06780	0.2
111.04442	0.5
111.06834	4.8
111.08006	0.3
113.05990	0.5
113.96368	1.3
119.08601	0.3
123.04446	0.2
124.07606	0.5
125.02349	0.2
125.08370	1.1
126.02699	0.4
126.05522	0.3
126.09151	4.2
127.07533	0.2
131.96228	0.2
131.97441	1.1
137.09621	0.7
138.05513	0.7
139.05264	0.4
139.06287	5.6
139.07365	0.3
144.03725	0.8
148.97369	0.5
149.97208	0.5
152.07050	0.6
154.02219	2.0
154.08624	100.0
155.07047	0.3
155.09003	2.9
155.10701	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.02378	2.4
53.00298	2.3
53.03929	4.5
55.05509	12.7
57.07075	2.7
59.04987	7.1
61.34921	1.4
65.03931	5.5
67.05501	7.6
69.07072	10.2
70.19618	1.3
70.91946	2.1
70.92253	2.1
71.04989	29.8
73.06564	17.5
79.01855	16.9
79.05060	2.5
79.05490	30.8
81.07052	100.0
82.07379	1.9
83.04982	3.1
83.08604	3.3
85.06538	2.6
91.05468	9.8
93.03410	2.9
93.06479	2.4
93.07043	44.3
93.38905	1.4
94.43733	1.4
95.04957	4.2
95.08602	5.5
97.02891	2.5
97.06516	8.4
101.03504	1.4
103.04842	1.5
105.07037	3.9
106.13177	1.4
107.01299	5.6
107.08594	36.9
107.14324	1.3
109.06513	2.6
109.10149	6.5
111.04435	5.9
111.08076	5.2
116.48658	1.2
119.08471	1.7
125.02350	7.7
125.05987	2.5
134.05969	1.3
135.11688	17.2
141.92192	1.3
143.03412	12.6
153.01823	29.5
153.02957	4.7
153.05435	1.8
153.12741	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	153.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	2.0
51.02375	8.0
53.00280	0.7
53.03941	1.2
55.01862	2.4
55.05506	3.4
57.03418	1.7
57.07073	1.7
57.38844	0.6
59.04994	1.3
65.03933	4.9
67.05498	6.2
68.99760	0.9
69.03425	3.9
69.07069	6.4
69.44154	3.3
69.44579	2.1
69.92310	0.5
70.94248	1.1
70.95865	0.6
71.04993	3.7
71.94095	10.4
72.08124	0.6
73.06551	1.4
79.01848	68.1
79.05485	7.0
80.02193	1.4
80.13267	0.6
81.07047	9.2
83.04977	3.5
83.08621	1.0
86.17183	0.7
87.00823	0.6
89.95106	0.8
91.05472	4.2
93.03388	1.5
93.07037	15.9
95.01385	1.0
95.04974	2.9
95.08595	11.4
97.02891	14.0
97.06517	9.6
98.03196	0.6
105.07027	0.7
106.69813	0.6
107.01311	19.3
107.04967	1.0
107.08586	20.4
108.01641	0.8
109.06518	1.2
109.07651	0.8
109.10156	6.2
110.03619	1.2
111.04427	8.6
111.08070	2.1
112.08698	0.9
112.96712	3.4
121.06464	0.9
123.00755	3.0
124.45987	0.8
125.02341	26.4
125.05973	3.9
126.02684	1.1
130.97783	2.2
135.04433	0.7
135.08067	1.4
135.11691	8.2
138.06737	0.7
143.03383	55.9
144.03731	2.7
153.01828	100.0
153.02953	17.0
153.05460	2.8
153.09036	1.3
153.11400	1.9
153.12750	5.8
154.02153	5.2
154.03246	1.2
160.90070	0.6
163.82759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Perillyl alcohol
Peak:m/z	Relative Intensity
50.66853	0.8
52.99606	0.8
53.00291	0.8
53.03933	1.7
55.01856	2.5
55.05512	17.6
56.96556	1.5
57.03432	6.4
57.07074	3.6
59.05006	2.2
65.03941	15.8
66.04266	0.8
67.05504	45.1
67.92441	0.8
68.05820	1.1
69.03444	3.7
69.07067	63.7
70.07383	1.9
70.94254	3.3
71.04993	4.2
71.58587	0.8
71.58949	0.7
71.94099	4.4
71.94945	0.8
71.95270	8.3
77.03902	0.8
79.01855	5.3
79.05492	38.0
80.05824	0.9
81.03415	1.0
81.07054	44.2
83.04977	10.2
83.08614	7.6
85.02902	1.1
85.06539	1.8
88.95299	1.1
91.05471	9.3
93.03410	2.2
93.07041	63.0
94.07372	2.0
95.04951	4.9
95.08602	23.7
96.08944	0.9
97.02894	1.5
97.06534	30.1
105.07021	3.1
107.01303	1.8
107.04943	3.3
107.08594	64.8
108.04475	2.0
108.08899	2.9
109.06518	3.3
109.10155	41.9
110.03672	4.0
110.10503	1.8
111.04466	23.6
111.08080	9.3
111.11737	1.8
111.96857	1.8
112.04764	1.9
112.96684	1.3
125.02356	2.6
125.05985	9.2
125.09604	1.8
126.06342	3.0
129.97902	2.2
133.10152	0.9
134.39479	0.7
135.04451	1.2
135.08086	2.2
135.11691	100.0
136.03857	0.9
136.12035	4.0
138.03163	1.5
138.05046	2.5
138.06786	0.9
143.03346	3.9
148.97351	1.2
153.01840	7.6
153.02911	1.2
153.04254	1.7
153.05470	8.8
153.07469	5.4
153.09126	4.4
153.12743	64.4
154.04976	4.6
154.08582	1.1
154.13115	2.1
154.15927	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0909
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
50.01590	0.6
51.02388	1.9
53.03946	11.1
55.01866	3.7
55.05512	1.3
65.03940	5.1
67.05511	1.8
68.23170	0.5
69.03432	1.3
69.07073	1.4
71.94105	2.5
71.95276	1.2
77.03938	2.0
79.01848	0.7
79.05491	100.0
80.05836	2.4
81.03427	1.4
81.07064	5.0
83.04979	3.1
91.05479	49.6
92.05802	1.9
92.16449	0.5
93.03350	1.0
93.07041	73.2
94.07358	2.7
95.04966	31.5
95.08613	1.8
97.06538	3.5
105.04505	5.5
107.04949	1.0
107.08604	2.4
109.06502	2.9
111.04447	9.4
111.08081	5.7
121.06493	5.3
125.05997	2.2
134.06007	0.5
135.04437	0.7
135.08072	0.9
135.11681	0.8
139.63881	0.5
153.01849	1.9
153.05466	1.9
153.06606	1.0
153.09106	6.8
153.12746	1.7
154.04979	1.3
154.09492	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0909
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
51.02375	2.2
53.03940	11.2
55.01865	3.6
55.05513	1.8
56.62098	1.2
58.37592	1.0
65.03925	7.3
67.05489	4.1
69.03417	1.7
69.07058	3.9
70.94254	2.6
71.94093	2.7
72.25641	1.0
79.01848	1.9
79.05489	100.0
80.05819	3.7
81.03418	1.9
81.07057	3.7
83.04980	4.0
83.08611	1.4
91.05478	49.0
92.05806	2.4
93.07039	79.3
94.07352	2.6
95.04964	30.2
95.08591	2.6
96.05237	1.1
97.02921	1.3
97.06526	4.7
105.04521	6.0
105.07030	1.6
107.04924	1.7
107.08589	12.4
108.50587	1.1
109.06504	3.9
109.10178	2.3
110.03689	1.5
111.04444	13.2
111.08091	7.9
121.06499	7.3
122.89194	1.1
125.02346	1.5
125.05954	4.0
125.09604	1.9
135.08043	2.1
135.11699	1.4
143.03398	2.2
153.01813	3.1
153.05516	2.3
153.09117	8.0
153.12721	2.5
154.04939	3.3
174.42705	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	2.4
51.02377	8.3
53.00291	0.8
55.01871	1.5
55.05522	0.9
65.03941	1.8
67.05497	0.7
69.03426	2.7
69.07089	1.0
69.26089	5.0
72.46085	0.4
79.01850	67.1
79.05492	1.7
80.02191	1.0
81.07071	0.4
83.04980	1.0
83.08662	0.5
87.00845	0.6
91.05482	0.5
93.03364	0.7
93.07043	1.5
95.01291	0.4
95.04978	0.6
95.08556	0.5
97.02889	11.2
97.06517	1.2
98.20773	0.8
107.01311	13.3
107.04971	1.3
107.08590	1.4
108.01648	0.6
108.99290	0.4
109.06494	0.6
109.10141	0.7
111.04448	3.4
111.08109	0.6
112.08794	0.5
123.00793	2.1
125.02346	24.9
125.05987	1.2
125.63564	0.4
126.02721	0.6
135.04443	0.6
135.11708	0.8
141.01845	0.5
143.03389	51.7
144.03752	1.6
153.01830	100.0
153.02950	15.2
153.12737	0.9
154.02118	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	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	2.6
51.02383	9.7
53.00296	0.6
53.03945	0.8
55.01860	1.4
55.05505	0.6
58.05458	0.4
65.03933	2.7
67.05495	1.0
68.99784	0.5
69.03436	3.1
69.07062	1.5
69.52627	3.1
69.53038	1.0
71.94106	0.8
79.01852	67.8
79.05495	1.7
80.02197	1.8
81.07043	1.2
81.51723	0.5
82.28439	0.5
83.04978	1.7
87.00822	0.9
87.91909	0.5
91.05492	1.0
93.03388	0.8
93.07041	1.9
94.43649	0.5
95.01338	0.6
95.04968	3.3
95.08605	1.5
97.02886	11.5
97.06512	1.4
107.01313	13.7
107.08585	2.5
109.06502	1.1
109.10190	0.9
111.04447	4.5
111.08047	1.6
112.08691	0.8
123.00767	2.8
125.02340	25.6
125.05972	1.3
135.11714	1.4
143.03389	52.5
144.03737	1.5
148.97374	0.7
153.01833	100.0
153.02956	15.8
153.09100	0.8
153.11353	1.1
153.12711	1.4
154.02141	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	153.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	2.1
51.02380	7.3
53.00297	0.9
55.01865	2.4
55.05508	1.5
56.96566	2.7
65.03938	3.9
67.05502	1.8
68.96315	0.8
69.03429	7.8
69.07060	2.9
70.15417	1.2
70.15810	1.1
70.94258	1.4
70.98101	0.7
71.04996	0.6
71.94101	6.2
76.26382	0.5
79.01855	68.7
79.05513	2.8
80.02197	1.3
81.03393	1.1
81.07063	1.5
83.04970	1.3
83.22806	0.5
88.95294	1.0
88.99152	0.6
91.05499	1.2
91.99534	0.5
93.03392	0.8
93.07055	2.0
95.04977	1.1
95.08640	0.7
97.02891	12.9
97.06516	1.9
105.44691	0.5
106.90117	0.6
107.01318	45.3
107.04942	1.7
107.08598	1.7
108.01668	1.3
109.06514	0.7
109.07651	1.1
109.10152	1.0
110.03656	0.8
111.04437	5.3
111.08062	0.8
111.09264	0.6
111.96916	0.8
112.96743	2.6
113.05880	0.8
123.00813	3.0
125.02351	31.2
125.05970	2.1
125.09641	0.7
130.96274	0.9
130.97751	0.9
135.00812	1.0
135.04390	0.7
135.08015	0.6
135.11679	0.7
138.03120	1.1
143.03397	47.6
144.03720	1.7
148.97365	2.2
153.01839	100.0
153.02960	14.1
153.05298	2.7
153.09099	1.1
153.11461	0.8
153.12714	1.6
154.02194	3.9
154.03314	0.6
154.08675	2.8
169.42339	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	2.3
51.02379	7.4
52.93755	0.4
53.00303	0.6
55.01870	1.6
55.05510	1.0
65.03937	2.8
66.59892	0.5
67.05497	1.3
67.53864	0.4
69.03098	0.7
69.03428	3.8
69.07058	1.4
70.71294	1.0
70.71624	0.7
70.94247	0.5
79.01851	69.3
79.05492	2.2
80.02180	1.6
81.07051	1.4
83.01369	0.5
83.04971	2.3
85.78030	0.5
87.00809	0.8
91.05497	0.9
91.42656	0.4
93.03410	1.4
93.07011	3.4
95.01333	0.6
95.04974	1.2
95.08611	1.9
97.02888	11.3
97.06554	2.1
101.82168	0.5
107.01308	14.2
107.04955	1.0
107.08580	4.2
108.01638	0.5
109.06515	0.9
109.10177	1.5
109.95853	0.4
110.03652	0.8
111.04444	5.7
111.08096	1.1
123.00777	2.9
125.02346	26.2
125.06005	1.6
125.09615	0.7
126.02711	0.6
135.08144	0.5
135.11700	1.1
143.03389	53.5
144.03728	2.3
153.01830	100.0
153.02963	16.8
153.09123	1.0
153.11404	0.9
153.12721	1.2
154.02182	3.0
154.03249	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	2.8
51.02375	7.1
53.00290	0.9
53.03939	0.6
55.01863	4.3
55.05509	3.7
57.03421	0.7
57.07056	0.7
59.05002	0.8
65.03935	6.9
67.05500	2.7
68.13668	0.5
68.99807	0.5
69.03423	4.6
69.07069	3.1
70.94276	0.8
71.03401	0.8
71.03771	1.1
71.04977	1.6
71.94073	0.5
75.61031	0.5
79.01850	62.3
79.05489	3.9
80.02182	1.3
81.07049	2.2
83.04982	10.1
83.08619	1.8
91.05466	1.6
93.03393	1.8
93.07033	5.1
95.04970	3.4
95.06104	0.7
95.08608	2.9
97.02287	1.0
97.02885	11.7
97.06525	5.8
105.07005	0.8
107.01313	16.2
107.04943	1.4
107.08581	4.9
108.01662	0.5
108.05597	0.4
109.06500	0.8
109.10155	2.5
110.03623	1.2
111.04436	10.0
111.08080	1.9
121.06506	0.8
123.00776	2.4
125.02347	25.1
125.05988	3.0
125.09596	0.7
126.02666	0.7
135.04388	0.5
135.08127	0.7
135.11717	1.8
138.03084	0.5
138.06760	0.7
143.03386	55.1
144.03711	1.2
145.67471	0.5
148.97333	1.1
153.01831	100.0
153.02951	14.8
153.05423	1.6
153.09103	2.1
153.11435	1.0
153.12741	4.7
154.02150	3.8
154.03261	0.6
154.04953	0.7
154.08607	0.6
165.64389	0.4
166.73859	0.5
170.25082	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	2.8
51.02380	7.7
53.00302	0.6
53.03920	1.0
53.89527	0.4
54.03469	0.5
54.11192	0.4
54.91137	0.3
55.01866	2.3
55.05508	0.9
56.96295	0.7
56.96563	12.9
57.03422	1.6
59.04998	0.8
61.02920	0.5
63.71200	0.4
65.00317	0.4
65.03937	3.8
67.05492	1.1
68.96323	1.3
68.99776	0.6
69.03431	6.2
69.04549	0.4
69.07062	0.9
70.06577	0.5
70.94254	1.1
71.04980	0.6
71.27022	0.9
73.02931	0.7
74.97616	0.5
77.46078	0.4
79.01849	77.8
79.05486	2.7
80.02187	1.6
80.04990	0.6
81.03398	1.5
81.04513	0.7
81.07054	0.8
82.06570	0.8
83.01321	0.5
83.04974	1.2
84.96022	0.6
85.02902	1.7
87.00816	0.5
87.04493	0.6
91.05476	0.8
93.03418	1.3
93.07041	1.3
94.06563	0.5
95.01330	0.9
95.04954	1.1
95.06093	0.6
95.06907	0.5
95.08594	0.7
96.08126	0.5
97.02888	15.0
97.06544	1.8
97.07653	0.4
98.97589	1.6
101.00921	0.4
105.07073	0.5
107.01307	21.9
107.04939	3.3
107.06824	0.4
107.08601	1.9
108.01640	0.7
108.08102	0.9
109.06541	0.5
109.07635	0.9
109.10141	1.0
110.03616	0.7
111.04438	6.2
111.08058	0.8
112.10026	0.4
113.05870	1.1
115.02483	0.5
116.98599	1.2
119.01910	1.7
121.02882	0.6
123.00779	3.0
124.07605	0.8
125.02347	28.5
125.05997	2.0
125.07986	0.9
126.02700	0.9
128.02261	0.5
130.96330	1.1
131.01884	0.9
131.05605	0.5
134.99672	1.0
135.03087	0.4
135.06366	9.1
135.07938	0.5
136.07574	2.6
138.03021	0.5
138.05475	0.4
143.03387	59.8
144.03732	1.9
145.01686	0.5
146.99648	0.9
148.97363	3.3
149.01219	0.6
149.02997	0.4
149.06572	0.7
149.78506	0.4
150.62323	0.4
151.02652	0.4
152.07100	0.9
153.01834	100.0
153.02948	18.3
153.06012	2.7
153.07436	3.4
153.09082	0.7
153.10242	1.0
153.11366	0.8
153.12665	0.6
154.02164	3.9
154.04491	1.2
154.08617	5.1
154.09724	0.6
161.01196	0.6
161.06621	1.8
170.99657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	2.3
51.02374	7.6
53.00300	0.9
53.03941	0.6
55.01864	2.3
55.05507	2.0
57.03409	0.8
59.04999	0.5
65.03937	7.2
67.05499	2.2
68.99776	0.6
69.03424	4.5
69.07055	1.8
70.06583	0.5
70.13629	2.1
70.94253	0.9
71.04987	0.7
71.94106	0.7
79.01848	68.8
79.05486	3.9
79.89244	0.4
80.02179	1.5
81.07049	2.4
83.04974	1.7
83.25552	0.4
91.05448	2.0
93.03398	1.7
93.07059	3.5
95.01341	0.5
95.04967	1.9
95.08587	1.3
97.02888	12.0
97.06520	1.9
97.07656	0.6
107.01309	18.9
107.04955	1.3
107.08590	4.0
108.01643	0.6
109.06499	1.3
109.10156	1.3
110.03692	0.7
111.04427	9.4
111.08067	1.9
112.08687	0.8
123.00818	2.7
125.02340	26.4
125.05955	3.4
126.02698	0.6
129.97945	0.5
130.96295	0.6
132.94940	0.4
135.04454	0.5
135.08060	2.3
135.11684	1.3
136.08595	0.4
143.03384	53.1
144.03696	1.2
148.97282	0.5
151.40797	0.4
153.01826	100.0
153.02946	15.9
153.05415	1.5
153.09114	1.9
153.11421	0.5
153.12752	1.6
154.02142	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	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	2.0
51.02382	8.6
53.00312	0.7
53.03942	1.2
55.01861	1.3
55.05510	3.6
56.96561	0.9
59.04995	2.0
65.03937	4.2
67.05492	1.8
69.03422	4.5
69.07063	3.9
70.94256	0.9
71.04995	4.9
71.34428	0.6
71.34760	1.0
71.94114	1.0
73.06567	3.3
79.01854	66.1
79.05492	5.8
80.02183	1.5
81.03444	0.7
81.07055	15.6
83.04973	2.2
85.06538	0.9
86.09372	0.6
87.00807	0.7
91.05477	2.4
93.03394	1.5
93.07048	7.9
95.04970	1.5
95.06087	0.6
95.08598	2.2
97.02889	11.2
97.06499	3.6
105.07058	0.8
106.22707	0.7
107.01318	21.9
107.04942	1.4
107.08586	8.5
109.06516	1.4
109.10149	2.1
110.03676	1.1
111.04436	6.1
111.08053	0.9
123.00800	2.5
125.02356	27.0
125.03278	1.4
125.06009	1.9
135.11676	3.4
143.03398	51.1
144.03712	1.1
150.40263	0.6
153.01837	100.0
153.02963	15.4
153.05499	2.0
153.09096	1.2
153.11375	1.5
153.12755	2.3
154.02187	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	152.0707
Annotation	N-(Acetyloxy)benzenamine
Peak:m/z	Relative Intensity
50.01581	0.7
51.02375	2.7
53.03938	1.6
55.01866	1.1
55.02982	0.4
55.05508	0.7
56.05026	0.6
56.96564	6.0
57.03422	1.3
61.02917	0.4
65.03925	2.3
66.04695	0.5
67.05490	0.9
68.05016	0.5
69.03430	2.3
69.07043	0.5
71.39208	0.7
71.95255	0.6
77.00883	0.7
77.03929	0.6
79.01852	24.1
79.05494	6.8
80.05002	1.5
81.03410	1.0
81.05794	3.0
81.07036	0.4
82.06563	1.5
85.02895	1.1
91.02470	0.7
92.05025	0.6
93.05762	0.5
93.79102	0.4
94.06587	2.2
95.04963	2.7
96.04462	0.7
96.08123	4.4
97.02889	5.9
97.06513	0.6
98.97577	0.6
100.02459	0.9
103.02414	1.6
105.04501	0.5
106.06546	6.2
107.01315	6.2
107.04920	0.9
107.08575	0.3
108.04462	0.7
108.08093	0.6
109.02843	0.7
109.03518	0.4
109.05136	1.3
110.03529	5.2
110.06058	2.3
110.26532	0.4
110.97537	0.5
111.04443	1.6
111.05547	0.5
115.02422	1.1
116.98642	0.5
118.03520	0.6
119.01926	2.0
121.03471	1.2
122.06004	1.0
123.00794	1.1
123.06804	2.0
124.07582	9.6
125.02350	10.3
125.05991	0.7
128.04562	2.5
128.98604	1.8
129.04051	0.5
131.01797	0.6
132.03453	0.5
133.03439	2.3
133.05144	0.5
134.06010	100.0
134.99605	0.4
135.03011	5.0
135.05191	0.5
135.06357	3.1
135.09180	0.5
137.02988	0.7
138.05534	0.5
143.03391	18.6
145.03438	0.5
146.99690	3.1
147.01357	2.4
147.05006	1.2
152.05676	33.4
152.07060	31.6
152.10590	0.7
153.01823	39.8
153.02925	5.1
153.04074	16.5
153.07426	1.1
154.02570	0.7
161.06587	0.8
165.02501	0.5
168.06586	0.5
170.01158	0.5
170.03014	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0569
Annotation	guanine
Peak:m/z	Relative Intensity
50.01588	0.4
51.02346	1.1
51.02559	0.3
53.00310	0.4
53.03913	1.0
54.52579	0.4
55.01841	1.0
55.02967	1.6
55.05481	0.6
55.58855	0.4
56.05016	0.4
56.96566	11.7
57.03408	1.5
59.04970	0.5
65.03938	2.4
67.05482	0.9
68.05004	1.0
69.03435	1.8
69.07027	0.5
70.06567	0.8
70.17905	1.6
71.95242	0.5
73.02911	0.5
79.01856	13.3
79.05496	4.3
80.05016	0.8
81.03409	0.7
81.04506	0.6
81.05762	1.5
81.07056	0.4
82.04075	0.9
82.06569	1.1
83.04961	0.5
83.06107	0.8
84.96007	0.6
85.02880	1.3
85.66249	0.3
91.05496	0.4
93.03391	0.8
93.07017	0.6
94.06594	1.7
95.04975	1.9
95.06119	0.4
96.04475	0.6
96.08118	2.3
97.02895	2.8
97.06509	0.7
97.07650	0.9
98.21432	0.5
98.97572	1.6
100.02415	0.3
101.00837	0.3
103.02441	1.2
106.06572	3.6
107.01297	2.8
107.03545	1.2
107.04955	1.4
107.06087	0.4
107.08562	0.6
108.04452	0.5
108.08102	0.6
109.05154	2.2
109.07647	1.7
110.02763	0.7
110.03530	13.5
110.06046	1.5
110.07188	0.4
110.97562	1.2
111.04469	3.6
111.05598	0.6
111.09213	0.8
112.09966	0.4
115.02433	0.7
116.98606	1.1
118.03531	0.4
119.01891	1.4
121.03475	1.1
122.06042	0.4
123.06796	1.0
124.03977	0.7
124.07605	5.0
125.02361	5.1
125.06005	1.1
125.07025	0.5
128.04564	8.7
128.98616	3.8
129.00288	0.6
133.01740	0.5
133.03497	1.2
134.06021	45.9
134.99637	1.1
135.03026	14.4
135.06361	0.8
135.09184	0.8
136.01421	0.6
143.03398	9.6
146.97421	0.6
146.99664	5.8
147.01407	1.7
147.05026	0.5
151.90724	0.4
152.05698	100.0
152.07043	14.0
152.11855	1.1
153.01900	18.1
153.03047	2.0
153.04071	52.0
153.06090	1.5
154.02492	1.6
154.04475	0.8
158.99709	0.4
160.97441	0.4
161.01234	0.4
165.00746	1.1
170.03049	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54474	0.4
51.02374	0.7
53.03944	1.6
55.01856	1.7
55.05505	1.1
56.05035	0.7
56.96565	47.6
57.03435	7.4
58.99862	1.2
59.04992	0.7
60.95826	0.6
61.02917	2.2
65.03944	2.1
67.05495	1.5
68.02630	0.4
68.05022	0.7
69.03062	0.7
69.03428	4.6
70.19017	1.9
70.19364	0.6
70.98094	0.6
71.01323	0.5
71.04993	2.4
71.95264	3.4
72.96059	0.5
73.02918	3.2
74.97609	1.2
77.00887	1.4
77.03919	0.5
79.01855	4.7
79.05060	0.7
79.05495	10.2
79.70305	0.4
80.05006	1.9
81.03412	3.3
81.05788	3.5
82.06589	0.9
83.00762	0.9
83.01305	0.7
83.04994	1.1
84.01556	1.1
84.96030	2.1
85.01415	2.8
85.02901	4.2
86.03687	0.5
86.99303	0.6
87.01925	0.4
88.02670	0.7
89.00812	0.6
90.01559	1.7
90.02444	0.5
91.02359	0.6
91.05478	0.5
92.01300	1.4
92.05010	1.3
93.05774	1.0
94.02723	0.5
94.06561	2.1
95.01954	0.5
95.04982	4.6
96.04492	0.8
96.08138	4.6
97.02319	0.5
97.02888	5.4
97.06522	0.8
97.99194	0.5
98.01289	1.8
98.04013	0.4
98.06031	0.5
98.20827	0.5
98.97590	5.4
99.02054	0.4
99.04456	1.0
99.97908	0.5
100.01060	0.5
100.02495	2.2
101.00846	1.2
102.02396	0.8
103.02446	28.5
104.02541	1.8
105.00371	1.7
105.04500	0.8
106.06553	8.6
107.00140	0.7
107.01306	1.1
107.04965	1.8
108.04466	0.9
108.08103	2.0
109.02865	1.3
109.03515	0.4
109.05151	1.9
110.01261	1.4
110.03535	8.9
110.06044	5.0
110.97560	6.0
111.02128	0.5
111.02900	1.2
111.04437	1.5
112.02887	0.5
113.01721	0.6
115.02421	2.1
116.07152	0.4
116.98627	5.6
117.02180	1.5
117.03979	1.4
118.01038	0.9
118.03531	1.7
119.00200	0.8
119.01903	9.1
119.51958	1.4
120.01948	0.5
120.03357	0.5
121.03490	24.8
122.02255	0.6
122.03572	1.6
122.06025	1.2
123.01424	0.7
123.06784	2.4
124.07601	11.4
125.02367	2.4
125.04744	0.5
126.04039	0.6
127.03891	0.6
128.02357	0.8
128.04555	5.2
128.98608	17.7
129.00266	4.7
129.03976	1.9
131.00096	0.5
131.01900	3.5
131.02750	0.9
131.05534	0.7
133.01762	0.4
133.03465	2.2
133.98897	0.6
134.06015	100.0
134.99680	3.9
135.03056	6.6
135.05008	1.5
135.06372	3.3
136.01405	0.6
137.01170	0.9
137.02948	2.1
137.04729	1.2
140.04984	0.5
142.03491	0.8
142.96527	0.6
143.00114	0.7
143.01913	1.8
143.03415	4.6
144.05089	1.1
145.01704	0.8
145.03452	1.8
146.99655	36.4
147.01392	56.1
147.03041	3.3
147.04971	3.7
148.00113	0.7
148.01526	4.3
149.01186	0.8
149.02963	1.0
149.06602	1.1
151.04494	0.5
152.00163	0.6
152.01909	1.2
152.05684	49.8
152.07068	53.4
152.10542	2.1
153.00726	0.5
153.01923	8.2
153.04068	30.5
153.06044	1.1
153.07439	1.8
153.12732	0.4
154.02495	2.6
154.04463	0.7
155.01939	0.7
157.03409	0.8
158.99649	0.8
159.05069	0.9
160.97551	1.2
161.01263	1.0
161.02910	2.1
161.06563	0.6
165.00735	7.9
165.02464	10.2
165.03972	0.5
165.04469	0.5
166.02480	0.5
168.06549	0.8
168.98705	0.4
170.01340	1.5
170.02992	20.1
170.99687	0.6
171.03145	1.8
171.05095	0.8
173.02899	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1481
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03944	1.2
55.05511	7.0
55.51805	0.4
57.07074	16.3
57.09531	0.5
59.05006	0.6
60.33865	0.5
65.03931	0.9
67.05503	46.3
68.05825	0.6
69.03411	1.1
69.06678	0.6
69.07065	12.0
71.05004	0.6
71.08626	6.3
72.32259	0.6
73.96164	0.5
75.31279	0.5
79.05494	5.7
81.07053	39.7
82.07392	0.6
83.08624	3.5
86.30055	0.5
91.05463	3.4
93.07041	7.2
95.04990	2.7
95.08604	100.0
96.08933	2.4
97.06473	0.8
98.20804	1.5
105.07018	6.2
107.04989	0.5
107.08597	5.8
108.05737	0.9
108.09390	0.6
109.06519	8.5
109.10152	81.3
110.10503	2.5
121.06488	1.4
121.10130	1.6
122.07296	0.6
122.81482	0.5
123.08078	8.6
123.11705	8.0
133.10126	2.1
135.08014	3.5
136.08842	13.0
138.05508	0.5
150.85638	0.5
151.11177	73.7
151.14803	12.5
152.11513	3.4
159.95604	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03929	2.3
55.01873	4.6
55.05267	1.0
55.05510	13.5
56.96552	1.0
57.03431	3.2
57.07058	1.7
65.03940	5.5
67.05502	52.3
68.05016	0.8
68.05826	0.8
69.03426	43.0
69.07066	8.1
69.41675	2.0
69.42107	3.1
70.03755	0.7
71.04987	5.8
77.03927	0.8
79.05490	27.6
81.03439	2.8
81.07052	63.1
82.07379	2.0
83.04987	7.0
83.08615	0.8
85.06517	3.0
89.58056	0.5
91.05476	35.0
92.05808	0.7
93.06474	1.0
93.07039	15.1
94.07345	0.7
95.04967	28.7
95.08599	11.6
96.05715	2.0
97.06538	3.4
98.20705	1.0
103.05463	1.2
105.04523	0.7
105.07030	41.7
105.94254	0.6
106.07307	1.8
107.04966	1.7
107.08585	20.6
108.02083	0.8
109.06519	21.6
109.10144	7.9
110.07244	1.6
111.07942	3.3
117.07056	0.6
119.04927	1.3
121.06443	0.6
121.10123	0.9
123.03377	0.6
123.04388	1.4
123.08092	5.6
123.11699	6.0
124.08719	0.7
127.07472	1.0
130.20192	0.5
131.08545	2.2
133.10127	29.7
134.10448	1.4
136.05205	0.7
141.05455	1.2
146.97458	0.6
151.02818	1.5
151.03894	3.8
151.05011	1.0
151.07616	4.5
151.11174	100.0
152.01649	0.8
152.07065	0.8
152.11555	5.5
162.84178	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03939	4.9
55.01873	8.2
55.05507	15.6
56.96527	1.3
57.03425	4.0
57.07067	2.9
59.04985	1.1
65.03933	8.1
67.05503	60.8
68.05022	2.5
68.05822	1.5
68.99774	1.3
69.03429	38.6
69.07060	7.7
71.04996	8.9
79.05490	33.9
81.03418	7.6
81.07056	71.3
82.07388	1.2
83.04993	7.4
83.06107	1.2
85.06541	1.5
91.05480	49.2
93.07040	18.5
95.01291	1.6
95.04967	37.8
95.08601	21.4
96.05785	2.2
97.06527	3.5
97.33617	0.9
98.21519	2.8
103.05480	1.3
105.02080	1.0
105.07029	52.8
106.07351	3.3
107.04942	3.9
107.08598	18.3
108.02097	4.1
108.05732	2.1
109.06516	27.4
109.07649	1.8
109.09573	1.2
109.10168	14.5
109.94536	1.0
110.07133	2.1
111.04444	1.7
111.07955	7.1
115.05399	1.3
117.07046	1.0
119.04952	5.1
121.06488	1.2
121.10144	1.5
123.04391	4.4
123.08063	10.1
123.11711	9.2
124.08643	1.0
130.50854	1.1
131.08652	2.4
133.06543	2.2
133.10138	32.5
134.10439	1.5
141.05504	2.3
151.02858	3.3
151.03905	12.2
151.05037	4.4
151.07549	11.9
151.11177	100.0
152.07014	2.6
152.11604	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	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03939	0.7
55.01854	1.0
55.05505	2.4
57.03423	0.7
57.07063	1.6
59.04998	2.1
65.03932	0.9
67.05504	8.1
69.03422	1.7
69.07059	2.6
69.45650	3.4
70.23186	0.3
78.02238	0.4
79.05489	6.3
81.03408	0.7
81.07053	19.3
82.07396	0.4
83.04990	0.6
84.14341	0.3
89.61311	0.4
90.00663	0.4
91.05482	9.7
93.07039	5.9
95.04973	4.6
95.08604	5.4
97.06536	1.7
103.05453	0.6
105.07031	12.3
106.07361	0.3
107.04945	0.9
107.08591	7.0
108.05730	1.0
108.84158	0.4
109.06515	17.1
109.07265	0.8
109.10155	11.1
110.06837	0.5
111.07946	0.6
115.05450	0.5
116.44167	0.4
119.04914	1.4
119.06072	0.6
121.06515	1.3
121.10143	3.2
121.75651	0.3
123.04443	0.4
123.08072	5.9
123.11713	4.2
131.08569	0.9
133.10120	4.9
136.05150	0.6
136.08829	3.1
137.09142	0.5
151.03894	0.6
151.07564	1.5
151.11179	100.0
152.11516	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	151.1117
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03939	3.0
55.01866	5.2
55.05509	11.6
56.55336	0.6
57.03430	1.8
57.07060	2.5
63.84058	0.6
65.03961	3.5
67.05502	51.5
68.05830	1.3
69.03426	40.6
69.07069	9.3
69.68004	2.7
69.68436	2.4
70.03730	1.0
71.04989	6.9
79.05489	27.4
81.03412	2.9
81.07052	62.7
82.07394	1.7
83.04982	7.8
84.01917	0.7
85.06533	2.2
91.05475	33.1
92.05775	1.0
92.08826	0.7
93.07038	14.1
93.40524	0.7
95.04967	27.2
95.08597	7.9
96.05738	2.2
97.06528	3.5
98.20755	1.2
100.46554	0.7
101.21738	0.7
103.05437	1.0
105.07026	42.1
106.07336	1.6
107.08588	19.0
108.05745	0.9
109.06517	21.0
109.10147	9.0
110.07115	0.8
111.07955	1.7
119.04916	0.8
122.07213	1.2
123.04398	0.9
123.08063	4.3
123.11696	7.0
131.08563	2.3
133.10124	32.2
136.08838	0.8
151.03903	1.2
151.07523	2.5
151.11174	100.0
152.11505	4.0
153.42918	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03935	0.9
53.79698	0.3
55.01860	1.1
55.05510	2.6
57.03417	0.5
57.07056	1.3
59.04983	1.5
65.03922	0.8
67.05180	0.6
67.05506	7.4
69.03439	1.7
69.07073	1.8
69.47853	0.3
69.48147	3.2
77.40253	0.3
79.05070	0.5
79.05490	4.9
81.03419	0.6
81.07053	16.6
81.77908	0.4
83.04962	0.5
83.85639	0.3
84.55693	0.4
91.05484	5.7
93.07046	4.9
95.04449	0.4
95.04978	3.5
95.08606	4.4
97.06538	2.3
105.07028	11.4
107.04932	0.8
107.08599	6.2
109.06514	15.7
109.10155	11.2
110.06978	0.5
110.10473	0.5
111.07931	0.5
118.07848	0.4
119.06017	0.5
121.06500	1.0
121.10130	2.7
123.08076	6.1
123.11703	3.5
130.02478	0.4
131.08571	1.1
133.10121	4.9
136.08849	2.9
151.11177	100.0
152.11513	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	151.1117
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03949	2.1
55.01866	4.2
55.05509	12.8
56.69835	0.4
57.03429	2.9
57.07072	1.6
59.41255	0.4
65.03938	5.8
66.47137	0.4
67.05502	69.6
68.05026	0.5
68.05843	1.2
69.03427	40.0
69.07064	8.1
70.00407	0.9
70.00813	1.5
70.03747	0.5
71.04987	6.2
77.03923	0.6
79.05491	28.7
81.03425	3.1
81.07053	58.8
82.07389	1.4
83.04982	5.5
83.06095	0.6
85.06542	3.7
90.42197	0.5
91.05477	36.2
92.05820	1.6
92.16956	0.4
93.06470	0.9
93.07042	13.3
94.07355	0.6
95.04966	42.1
95.08601	7.1
96.05235	0.6
96.05798	2.3
97.06523	3.1
98.21505	0.5
103.95425	0.5
105.07027	48.9
106.07343	1.7
107.04964	1.2
107.07863	1.1
107.08588	19.5
108.08958	0.6
109.06511	20.0
109.10149	9.1
110.07153	1.4
110.10473	0.5
111.07950	2.5
115.05450	0.5
119.04956	1.2
119.06025	0.6
121.06481	0.6
121.10161	0.9
123.04428	1.2
123.08069	5.1
123.11718	6.4
131.08517	2.1
133.10124	32.0
134.10466	1.3
151.02820	0.7
151.03925	0.9
151.07643	3.8
151.11172	100.0
152.11530	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1116
Annotation	Lyratal
Peak:m/z	Relative Intensity
52.52234	1.6
53.03939	2.7
55.01860	3.7
55.05508	14.4
56.96545	2.4
57.03420	2.8
57.07068	2.1
65.03943	9.9
67.05507	69.8
68.05006	4.5
68.05811	1.8
69.03085	2.2
69.03427	29.4
69.07048	6.7
69.44231	15.5
70.06576	1.4
71.01328	1.7
71.04967	5.3
77.88737	1.6
79.05064	2.7
79.05492	35.9
81.03399	6.0
81.06588	3.3
81.07059	64.0
82.06596	2.2
83.04960	6.3
83.06081	3.9
85.06542	2.6
91.05481	58.5
92.05772	2.3
93.06575	1.9
93.07053	23.7
94.06590	2.3
95.04367	2.5
95.04967	41.2
95.08610	23.0
95.48766	1.6
96.05714	3.2
96.08063	1.7
97.06541	2.3
98.20753	3.4
103.05459	1.9
105.03360	1.8
105.07033	56.1
107.04971	8.8
107.06090	2.5
107.08600	49.1
108.05722	2.7
108.08981	2.0
109.06509	30.9
109.07647	3.7
109.10152	19.2
110.07212	10.0
111.04424	1.8
111.07964	22.7
111.09218	1.5
119.04926	5.6
122.07210	1.7
123.03379	2.4
123.04418	7.5
123.08070	14.0
123.11690	13.0
124.07579	3.0
124.08649	4.6
125.97989	1.6
128.02237	1.8
133.06516	4.3
133.10124	25.9
134.05988	2.1
134.07039	1.8
135.04410	2.9
136.05150	3.4
136.08801	2.0
151.02786	6.9
151.03929	9.6
151.05005	2.7
151.07565	28.8
151.09818	11.0
151.11171	100.0
152.01692	2.7
152.03413	3.0
152.07048	5.6
152.11595	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	151.1117
Annotation	(-)-Carvone
Peak:m/z	Relative Intensity
51.02377	0.7
53.00300	0.7
53.03947	14.6
55.01870	5.0
55.05510	10.2
55.94965	0.4
56.96560	1.0
57.03439	2.5
57.07080	1.2
59.05007	0.7
59.95252	0.4
61.80823	0.5
63.62688	0.4
65.03941	2.7
65.41563	0.4
67.05502	37.8
67.27295	0.4
68.05831	1.3
68.81580	0.4
69.03429	5.5
69.07065	100.0
70.01929	2.4
70.07392	2.2
71.04998	2.1
75.28577	0.4
79.05491	19.5
80.05822	0.6
81.02917	0.9
81.03416	28.8
81.07052	45.5
82.03764	0.5
82.07374	0.8
82.22469	0.4
83.04977	30.0
83.08616	0.9
84.05309	0.8
85.06558	0.4
91.05480	15.6
92.05832	0.6
93.07040	20.8
94.04147	0.6
94.07369	0.5
95.04965	73.7
95.08602	5.4
96.05310	1.8
96.38358	0.5
97.06546	0.5
98.21400	0.6
105.04464	0.5
105.07027	18.8
106.07373	0.6
107.04958	0.8
107.08591	8.7
109.06512	21.8
109.10149	6.7
110.06809	0.5
116.03070	0.7
121.10136	0.5
123.08081	4.2
123.11700	5.8
127.07618	0.7
131.08569	1.2
133.10124	20.5
134.10455	1.7
151.02808	0.6
151.03947	0.5
151.07533	0.7
151.11176	29.8
152.11514	1.7
156.05260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.9
55.01873	8.2
55.05507	15.6
56.96527	1.3
57.03425	4.0
57.07067	2.9
59.04985	1.1
65.03933	8.1
67.05503	60.8
68.05022	2.5
68.05822	1.5
68.99774	1.3
69.03429	38.6
69.07060	7.7
71.04996	8.9
79.05490	33.9
81.03418	7.6
81.07056	71.3
82.07388	1.2
83.04993	7.4
83.06107	1.2
85.06541	1.5
91.05480	49.2
93.07040	18.5
95.01291	1.6
95.04967	37.8
95.08601	21.4
96.05785	2.2
97.06527	3.5
97.33617	0.9
98.21519	2.8
103.05480	1.3
105.02080	1.0
105.07029	52.8
106.07351	3.3
107.04942	3.9
107.08598	18.3
108.02097	4.1
108.05732	2.1
109.06516	27.4
109.07649	1.8
109.09573	1.2
109.10168	14.5
109.94536	1.0
110.07133	2.1
111.04444	1.7
111.07955	7.1
115.05399	1.3
117.07046	1.0
119.04952	5.1
121.06488	1.2
121.10144	1.5
123.04391	4.4
123.08063	10.1
123.11711	9.2
124.08643	1.0
130.50854	1.1
131.08652	2.4
133.06543	2.2
133.10138	32.5
134.10439	1.5
141.05504	2.3
151.02858	3.3
151.03905	12.2
151.05037	4.4
151.07549	11.9
151.11177	100.0
152.07014	2.6
152.11604	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	151.1117
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03932	3.9
55.01865	7.3
55.05267	1.0
55.05513	12.2
57.03425	2.9
57.07063	2.0
65.03944	6.3
66.40562	0.9
67.05501	57.3
68.05019	4.6
68.05816	2.0
69.03428	30.0
69.07059	7.0
70.51565	1.8
70.51963	1.9
71.04983	6.4
79.05491	38.2
80.05807	1.3
81.03415	8.1
81.05795	4.6
81.07053	64.7
82.06570	0.9
82.07360	1.3
83.04976	8.8
83.06092	1.9
85.06528	2.7
91.05477	35.7
93.07037	13.9
94.06584	1.5
94.07369	1.4
95.04965	34.4
95.08601	16.1
96.05727	1.5
96.08123	14.6
97.06507	4.1
97.07665	1.0
103.05472	1.3
105.03397	1.5
105.07027	45.8
106.07339	1.8
107.04965	3.1
107.08585	17.6
108.05727	2.9
108.40587	0.8
109.06515	29.7
109.10146	11.9
110.06015	0.8
110.07124	3.1
111.04418	1.3
111.07951	8.3
111.08683	1.8
111.54766	0.9
117.07037	0.9
119.04917	1.9
121.06522	1.0
123.04400	3.1
123.08059	11.9
123.11724	9.4
124.07580	9.2
124.08548	1.6
127.07589	1.5
131.08565	1.9
133.06462	1.7
133.10129	28.2
134.06071	1.7
134.07072	1.1
136.05232	0.9
136.68285	1.1
151.02869	2.0
151.03915	5.2
151.04962	1.3
151.07579	11.5
151.09819	3.2
151.11177	100.0
152.01715	1.2
152.07072	9.2
152.08170	1.4
152.11496	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	150.1277
Annotation	N,N-Dimethylphenethylamine
Peak:m/z	Relative Intensity
51.02373	0.3
53.03944	0.4
54.03468	0.3
55.01865	0.6
55.05511	0.7
56.05029	0.5
56.96564	0.2
57.03436	0.3
58.06599	5.2
65.03942	2.9
66.03924	0.2
66.04273	3.4
67.02972	0.2
67.04267	0.2
67.05502	1.7
67.29894	0.2
68.05030	1.7
68.13141	0.2
68.99805	0.2
69.03420	0.3
69.04546	0.2
69.07049	0.2
70.06574	0.4
71.57142	0.2
72.93783	0.2
74.02437	0.7
79.05492	5.4
80.05035	0.9
80.05832	0.2
81.03409	0.5
81.04568	0.3
81.07057	1.8
82.06586	1.0
83.06097	0.7
84.08148	1.0
90.94817	0.2
91.05486	2.4
92.05815	0.6
92.81482	0.2
93.03381	0.3
93.04535	0.2
93.07027	1.0
94.03715	0.9
94.06555	1.0
94.07371	0.5
95.01321	0.4
95.04975	2.6
95.06084	1.0
95.07354	0.2
95.08602	1.2
96.05299	0.3
96.08110	0.5
97.07647	0.2
99.03999	0.2
103.05485	2.4
104.05791	0.2
105.07029	100.0
106.06552	0.6
106.07349	3.9
107.04979	0.5
107.06043	0.5
107.07312	0.4
107.08585	0.6
108.04498	1.1
108.05711	0.2
108.08141	0.2
109.02885	0.3
109.06500	0.7
109.07638	4.5
109.10140	0.4
110.07158	0.6
110.08427	6.3
111.04440	0.5
111.07964	1.4
112.04028	0.2
112.04733	1.0
119.04939	0.6
120.87080	0.2
121.02883	0.9
121.04003	0.3
122.03196	5.4
122.04282	0.9
122.06017	1.0
122.07033	0.5
122.09657	0.4
122.10471	0.2
123.03484	0.2
123.04420	1.1
123.05505	0.5
123.08067	1.2
123.09185	2.8
123.11673	0.3
124.08712	0.3
132.04376	0.3
132.05341	0.2
133.02811	0.2
133.06480	0.5
133.07608	1.2
133.10175	0.3
135.04422	0.6
135.07933	0.2
150.02679	13.1
150.03673	0.6
150.05440	2.3
150.06581	0.6
150.07738	0.6
150.09126	0.9
150.10257	6.6
150.12776	15.8
151.02826	0.7
151.03894	1.4
151.05019	0.3
151.07533	1.9
151.08627	0.3
151.09772	0.6
151.11168	0.8
151.13098	0.6
168.03676	0.3
169.03474	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Multifidene
Peak:m/z	Relative Intensity
51.94856	1.3
53.03936	3.3
53.59031	1.1
55.05513	6.1
57.07065	3.2
59.58780	1.3
61.69837	1.4
65.03613	2.1
65.03936	29.5
67.05494	1.7
69.07059	5.6
71.30857	1.4
71.31193	1.9
79.05486	23.1
81.07053	2.8
89.84572	1.0
91.05475	26.3
92.05795	1.2
93.03378	4.6
93.06476	1.9
93.07039	24.8
95.04951	5.2
95.08588	2.3
103.05461	5.3
105.04516	1.7
105.07030	56.7
106.07865	1.8
107.08593	61.9
108.08882	2.5
109.06522	6.1
111.04458	6.0
119.08572	20.7
120.09364	2.4
121.02856	24.5
121.03961	7.2
121.06512	1.5
121.10139	100.0
122.10474	4.8
123.08067	9.7
133.07579	3.2
133.10132	6.4
134.10898	5.0
149.01141	2.6
149.02336	39.1
149.09604	4.0
149.13255	21.1
150.02684	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Multifidene
Peak:m/z	Relative Intensity
51.02361	0.7
53.03946	3.8
53.88670	0.7
55.01863	2.0
55.05505	6.0
57.07090	3.2
64.91446	0.7
65.03938	49.0
66.04276	2.0
67.05506	1.8
69.03385	0.7
69.07065	6.8
71.13268	1.0
74.03939	0.6
75.82007	0.5
77.03889	0.8
78.04691	1.2
79.05490	21.6
80.21979	0.6
81.03395	0.7
81.07046	3.1
89.03913	0.8
91.05472	29.8
92.05788	1.6
93.03393	10.4
93.07041	27.3
93.07630	1.4
94.03729	0.9
94.07337	0.9
94.91209	0.6
95.04966	7.3
95.08585	1.5
98.03664	2.3
103.05455	6.9
105.04515	2.0
105.07026	59.2
106.07244	1.3
106.07823	2.2
107.04974	0.9
107.08586	47.9
108.08881	1.7
109.06512	4.2
110.08389	0.8
111.04435	11.7
115.05444	0.7
116.06224	1.3
119.06039	0.9
119.08575	16.5
120.09335	2.9
121.02853	43.2
121.03954	10.5
121.06485	2.6
121.10136	100.0
122.03201	2.6
122.10467	5.7
123.08053	11.9
131.04948	1.4
131.08521	1.5
133.07567	3.1
133.10124	4.7
134.03612	0.7
134.10902	5.1
148.01103	0.8
149.02333	70.6
149.05936	2.7
149.08441	0.7
149.09622	10.4
149.13240	12.5
150.02676	4.2
150.03700	0.8
150.13562	1.1
167.03392	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	4-Phenylbutan-2-one
Peak:m/z	Relative Intensity
53.03944	7.8
55.01858	4.7
55.05510	2.2
63.40369	1.5
65.03939	57.7
69.03430	5.2
69.07066	2.0
70.81895	4.9
77.03912	1.9
79.05065	2.6
79.05491	33.3
81.07054	5.0
91.05478	100.0
92.05811	1.4
93.03413	10.2
93.06474	2.6
93.07040	40.5
95.04957	10.5
98.03674	2.1
103.05464	14.9
105.04494	2.1
105.07031	63.5
106.07898	6.7
107.04939	2.4
107.08579	10.5
109.06516	6.9
111.04440	12.3
115.05461	14.4
116.06237	41.0
119.08576	11.4
121.02862	48.7
121.03968	11.9
121.06497	27.8
121.10139	48.7
122.03182	2.5
122.10461	2.5
123.08048	8.4
128.06204	2.9
129.06998	11.9
131.08566	33.4
132.08868	1.9
133.06535	3.2
133.07590	4.1
134.07246	6.4
147.08046	6.0
149.02345	68.1
149.05936	2.6
149.09616	80.3
150.02663	3.1
150.09962	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.096
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03935	8.2
55.01874	13.2
55.05504	19.7
57.69982	2.0
59.36020	1.8
65.03939	10.9
67.05496	5.3
69.03418	4.5
71.18528	5.6
79.05062	3.9
79.05491	49.6
81.07046	6.6
84.84035	2.1
88.78583	1.9
91.05473	32.9
93.03387	2.2
93.07030	38.0
95.04977	10.9
103.05468	2.4
105.04566	3.0
105.07032	12.8
107.04951	100.0
107.08582	9.9
115.05396	2.4
116.06232	5.8
121.02860	8.4
121.03954	3.5
121.06496	7.8
121.10110	5.2
129.06999	4.2
129.18098	2.2
129.46213	2.0
131.08545	23.5
149.02357	14.4
149.09596	20.1
149.47639	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	5,6,7,8-Tetrahydro-2-naphthol
Peak:m/z	Relative Intensity
50.70359	1.0
53.03934	5.1
55.01876	8.1
55.05512	14.6
57.03446	1.6
65.03944	11.8
67.05487	4.6
69.03413	2.8
71.04980	1.7
71.33487	2.5
71.33836	1.7
73.04897	1.1
73.88123	1.3
78.51000	1.1
79.05492	28.4
79.43793	1.1
81.07069	6.3
91.05483	25.2
91.56655	1.1
93.03403	2.8
93.06472	1.9
93.07043	24.7
94.07380	1.8
94.61938	1.3
95.04964	9.2
103.05454	2.1
105.07026	8.3
107.04957	100.0
107.08600	4.2
108.05275	3.4
111.04453	1.5
111.94566	1.2
116.06221	4.4
121.02860	8.1
121.06513	6.1
121.10164	6.1
122.03158	1.6
125.38632	1.1
129.06996	2.9
131.08568	16.6
149.02353	12.3
149.09625	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	148.0604
Annotation	D-Glutamate
Peak:m/z	Relative Intensity
56.05035	6.6
56.96564	0.8
57.03428	0.9
59.33496	0.4
65.03938	15.8
71.08961	1.1
78.37303	0.4
79.05479	0.5
84.04501	100.0
84.08160	0.8
85.02906	2.8
85.04821	2.7
88.04024	0.5
92.05801	0.4
93.03400	3.7
93.07035	0.6
98.03668	0.5
99.51820	0.5
102.05538	14.8
102.09155	2.0
111.04417	3.4
121.02871	17.5
121.03980	3.6
130.04994	5.6
130.06512	0.8
135.56314	0.4
148.03903	0.8
148.06056	0.8
149.02338	26.1
163.54890	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03946	2.5
55.01863	4.7
55.05506	8.8
65.03947	8.1
67.05499	2.4
69.07059	1.5
69.65321	6.8
69.65742	3.1
79.05501	9.3
79.05894	1.4
81.07048	2.1
84.04494	1.9
84.45287	1.4
91.05476	100.0
92.05786	4.3
93.07033	4.2
94.72459	1.2
95.04982	3.0
103.05492	7.5
104.06258	1.9
105.07027	68.2
106.07369	4.9
107.04965	2.8
107.08587	5.5
108.06875	1.4
109.06541	1.6
115.05486	2.7
116.06233	2.9
117.07011	22.1
119.04945	32.5
119.08577	95.1
120.04467	1.3
120.05281	2.0
120.08928	3.6
121.10184	1.5
126.73550	1.3
128.06163	1.5
129.06995	6.1
130.06528	1.6
130.07787	2.4
131.08537	2.5
132.05724	3.1
132.09346	7.9
145.10133	14.0
147.04437	14.5
147.05513	2.6
147.08044	9.6
147.09151	2.3
147.11685	42.3
148.03873	3.1
148.08607	2.0
148.11998	1.4
161.09422	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03935	3.0
54.75160	0.9
55.01863	1.9
55.05511	10.9
57.18943	0.8
60.04575	0.9
64.92802	1.1
65.03947	5.5
67.05500	2.1
69.07062	3.1
69.83814	4.9
70.16859	0.8
77.83835	0.9
79.05488	9.3
81.07067	1.3
84.04504	1.1
91.05479	85.2
92.05822	4.4
92.06322	0.8
93.07018	4.5
95.04950	3.7
100.56574	1.0
101.07937	1.0
103.05481	6.0
104.06219	1.9
105.07029	80.9
106.07352	2.5
107.08581	7.4
115.05449	2.7
116.06233	3.2
117.07018	22.9
119.04939	29.9
119.08577	100.0
120.05295	1.8
120.08897	5.1
121.07564	1.0
128.06180	1.1
129.06985	2.8
130.06525	0.8
130.07761	1.9
131.08582	2.8
132.05696	0.9
132.09357	6.8
145.10139	10.9
147.04430	9.5
147.08043	4.9
147.11687	35.4
148.07504	1.0
148.08617	1.2
148.12009	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0804
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
53.03941	2.1
55.01871	58.5
55.05501	1.3
56.02205	1.0
60.44912	0.7
62.49638	0.7
64.92782	0.9
65.03930	6.4
67.14120	0.7
67.85903	0.7
70.22043	2.7
73.13985	0.6
77.49636	0.7
78.04691	0.8
79.05492	11.2
81.03411	2.5
83.06917	0.7
91.05476	100.0
92.05815	3.5
93.07043	2.1
95.04957	4.4
100.07613	0.8
101.07955	1.6
103.05456	6.2
104.06245	2.5
105.03385	1.4
105.07026	19.9
107.04954	12.3
107.08616	1.3
115.05439	3.8
116.99323	0.8
117.07020	14.2
119.04939	26.0
119.08577	33.0
120.05225	0.9
120.08931	1.6
128.06210	11.5
129.07007	9.4
131.04964	1.7
132.05702	7.4
132.09332	0.7
133.06055	0.9
145.06461	1.9
145.10110	1.4
145.65541	0.7
147.04440	9.7
147.05534	1.4
147.08043	37.5
147.11658	3.5
148.03877	1.3
148.08438	1.6
155.05998	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0804
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
53.03941	2.9
53.68970	0.8
55.01871	68.3
55.05512	2.0
56.02200	0.7
65.03939	5.5
65.17983	0.7
65.56689	0.7
67.05512	1.0
69.03429	1.2
69.33588	2.3
69.34010	4.9
73.53032	0.8
75.56693	0.7
79.05492	12.5
81.03408	3.4
81.07050	1.0
91.05478	100.0
92.05833	3.6
93.07028	3.6
95.04937	3.9
100.40762	0.7
103.05472	7.2
104.06264	3.2
105.03403	2.0
105.07027	23.3
107.04951	12.5
107.08617	1.6
115.05443	4.3
117.07005	17.0
118.46913	0.7
119.04947	14.5
119.08578	37.8
120.08891	1.7
128.06210	12.6
129.07013	11.3
131.04973	1.6
132.05716	8.0
145.06502	3.0
145.10136	1.1
147.04408	6.9
147.08044	41.5
147.11678	8.8
148.08403	2.3
155.06093	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0804
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
53.03939	1.7
55.01871	53.4
65.03931	5.3
69.78461	3.0
69.78870	4.7
79.05488	10.2
81.03413	3.0
91.05479	100.0
92.05811	3.4
95.04963	3.2
98.21384	1.7
103.05466	6.3
104.06244	3.0
105.03390	2.5
105.07035	10.9
107.04958	14.2
115.05459	4.7
117.07019	15.4
119.04952	16.2
119.08572	22.6
128.06212	15.6
129.07025	10.3
131.04883	1.5
132.05693	9.7
142.97733	1.4
145.06493	4.2
147.04382	5.6
147.08044	44.1
147.09241	2.3
148.08504	1.5
155.06020	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	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.96234	0.4
50.96516	0.5
55.01873	1.3
55.05511	0.5
59.44571	0.4
65.03603	0.9
65.03938	11.8
67.17924	0.5
69.98720	0.7
69.99111	1.5
84.04504	1.1
88.99972	0.5
91.05479	100.0
92.04973	0.8
92.05808	4.1
92.39176	0.5
95.04954	1.2
98.21448	0.8
103.05447	0.9
105.07012	2.1
107.04936	0.9
107.52931	0.6
107.88339	0.5
117.07018	1.2
119.04940	69.1
119.08557	3.0
120.04528	0.6
120.05246	3.1
120.08089	0.7
121.07596	0.6
128.06190	0.7
129.06993	0.6
130.02982	0.6
130.06491	0.6
132.05678	0.5
133.52127	0.4
147.04411	21.3
147.05444	0.9
147.08043	2.9
147.11693	0.6
148.03824	0.9
148.04877	0.9
148.07509	0.7
148.08665	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.17442	0.3
52.71752	0.3
53.03935	0.6
55.01867	1.4
55.05508	0.9
65.03934	12.8
65.04283	0.6
66.04266	0.5
69.40518	2.2
69.40942	1.0
79.05481	0.7
81.07029	0.3
91.05477	100.0
92.05808	3.4
93.07096	0.4
95.04968	1.1
103.05466	1.0
105.07021	6.5
107.04990	0.7
117.06940	1.6
119.04936	69.6
119.08572	9.2
120.04469	0.5
120.05254	3.3
120.08887	0.4
128.06226	0.5
129.07088	0.4
132.05666	0.3
132.09242	0.4
140.30640	0.3
147.04404	19.8
147.08046	2.1
147.11664	3.8
148.04758	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.42783	0.3
51.02386	0.4
55.01864	1.1
65.03606	0.7
65.03939	12.1
66.76163	0.3
69.91348	1.7
72.04845	0.3
79.05479	1.0
82.09619	0.4
84.04541	0.4
91.05476	100.0
92.05801	3.4
95.04983	1.1
98.21510	0.6
103.05465	1.4
105.04511	0.5
105.07024	3.8
107.04976	0.8
115.05432	0.7
117.07018	2.0
119.04935	68.5
119.08563	6.1
120.04472	0.7
120.05254	3.9
128.06230	0.7
129.06987	1.0
132.05692	0.6
139.34708	0.4
141.53101	0.4
145.10187	0.4
147.04402	21.1
147.05327	0.8
147.08032	3.2
147.09125	0.5
147.11702	1.1
148.03807	0.5
148.04781	1.0
148.07478	0.4
152.18909	0.4
157.22214	0.3
168.06801	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.06
Annotation	Indole-3-carboxaldehyde
Peak:m/z	Relative Intensity
50.74332	0.4
51.02375	0.8
53.03944	1.3
55.01865	1.0
55.05507	1.8
56.05051	1.0
58.06602	1.2
60.50797	0.4
63.02386	0.4
65.03941	5.3
69.03397	0.6
70.06574	0.8
70.60254	1.1
70.60598	0.5
72.04520	0.9
72.05303	0.5
72.08147	2.3
74.09818	0.4
75.02369	0.6
77.03918	0.6
81.03394	0.4
82.02941	0.4
82.06576	9.0
84.04487	0.5
86.06087	1.9
86.09708	1.3
88.07659	0.6
91.05481	56.2
95.04957	2.9
99.05575	0.5
100.04134	0.4
100.04795	1.3
100.07614	11.6
103.05472	2.9
104.90767	0.5
105.04551	0.8
105.07033	0.7
107.52208	0.5
117.05761	4.4
117.07016	0.5
118.06548	15.0
119.04939	26.9
119.06804	0.9
119.08581	1.4
128.04967	72.1
129.04474	2.4
129.05312	3.3
129.10187	0.7
132.05664	0.6
135.83823	0.4
146.06010	100.0
146.08018	2.7
147.04434	9.4
147.06374	5.2
147.08058	0.9
147.09140	0.4
151.09706	0.5
164.03461	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.06
Annotation	Indole-3-carboxaldehyde
Peak:m/z	Relative Intensity
50.01593	0.6
53.03936	1.2
55.01864	0.6
55.05522	0.8
56.05036	0.7
58.06595	0.7
60.04515	0.7
65.03938	3.3
69.07080	0.5
70.06577	0.4
71.56988	0.6
72.05331	0.6
72.08150	2.1
82.06573	6.3
84.04500	1.4
84.08135	0.5
86.06075	0.8
86.09721	0.8
88.07635	1.0
89.03922	1.4
90.04244	3.1
91.05476	49.4
92.66326	0.5
95.05002	2.6
100.04777	0.8
100.07607	8.4
103.05464	3.3
105.04498	0.8
105.07032	1.3
116.78758	0.4
117.05768	5.2
117.06974	0.6
118.03706	1.1
118.06541	31.0
119.04941	22.2
119.06822	0.9
119.08558	1.8
128.04959	65.4
129.03636	0.6
129.04489	2.4
129.05270	2.7
140.61296	0.5
146.06001	100.0
147.04420	8.5
147.06329	4.4
147.08063	0.9
164.03380	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.9
53.04647	1.0
54.14067	0.9
67.05485	1.0
69.03417	1.5
69.73439	7.1
71.04972	4.1
75.67798	0.9
79.05476	3.8
81.03408	1.4
82.06569	2.4
85.02909	1.8
89.03922	3.3
91.05473	22.0
97.02919	1.5
99.04445	8.4
100.07601	3.5
103.05474	5.7
105.07024	96.6
106.07363	2.6
115.05450	20.1
116.06209	3.4
117.07008	35.5
118.04105	1.3
127.03915	1.0
128.04907	1.1
128.06229	12.6
129.06995	21.7
130.07780	78.7
131.08110	2.2
139.58290	1.0
143.08542	13.8
145.04977	1.3
145.06465	2.8
145.10115	100.0
146.05995	1.6
146.10434	5.2
147.07973	1.4
155.06020	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.01869	1.2
55.05510	1.3
55.34114	0.6
55.42078	0.6
56.96569	0.8
57.03432	1.7
59.06098	0.7
59.87529	0.7
61.02920	0.6
62.92986	1.2
67.05502	1.7
69.03432	3.1
71.04995	5.5
71.56496	0.6
71.56909	0.9
79.05476	3.4
81.03413	2.8
82.06578	7.7
84.04487	0.6
85.02903	3.6
85.04022	0.7
86.09679	0.6
89.03895	3.4
91.05480	26.6
92.05820	0.6
95.04966	2.0
97.02886	1.4
99.04449	9.3
100.04845	0.6
100.07611	9.9
103.05456	5.3
105.07027	97.8
106.07368	4.2
115.05454	19.7
115.54302	0.5
116.06281	3.6
117.03339	1.3
117.07016	37.2
118.06515	1.1
118.07327	1.1
121.96645	1.8
127.03883	1.8
127.05478	0.6
128.04991	1.4
128.06210	14.1
129.07010	23.4
130.07784	77.7
131.08156	2.3
143.08560	13.3
145.03882	1.0
145.05354	0.8
145.06477	8.5
145.10118	100.0
146.05995	3.6
146.07054	0.8
146.08118	2.2
146.09564	0.5
146.10484	4.8
147.08017	1.6
155.06039	1.7
157.07658	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.6
53.56346	0.9
55.01866	2.1
55.05492	2.0
55.46270	0.9
57.03416	3.8
59.06104	2.2
62.92974	2.4
67.05487	2.7
69.03422	5.1
70.06595	1.2
71.04983	9.8
71.56623	1.7
72.04502	0.9
72.11445	0.9
79.05471	3.3
81.03410	5.9
82.06590	8.9
85.02909	7.3
85.04026	1.6
85.06505	1.6
87.04437	1.0
89.03919	11.2
91.05475	25.7
95.04955	1.5
97.02872	2.4
99.04457	17.0
100.07608	9.7
103.05455	6.0
105.07028	99.7
106.07345	3.5
115.05448	21.9
116.06224	3.7
117.03376	4.6
117.06223	2.0
117.07022	37.8
118.06552	2.8
118.07346	2.3
121.96612	3.1
127.03915	2.4
127.33016	1.1
128.05028	5.2
128.06219	14.5
129.07008	23.3
130.07787	80.2
131.08121	3.1
143.08554	15.6
145.03842	1.2
145.04900	2.2
145.06473	6.4
145.10118	100.0
146.06004	12.7
146.08029	1.1
146.10579	4.8
147.08014	1.8
155.06027	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	143.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.9
55.01864	3.6
55.05509	5.9
56.05036	3.4
56.69590	0.5
56.96561	1.4
57.03442	1.0
57.05368	0.6
57.07070	4.0
58.06584	1.9
59.02081	0.5
59.04986	2.0
59.06115	2.2
60.04519	1.7
60.95835	0.7
63.64949	0.5
67.05502	3.4
68.05005	0.9
68.99790	0.7
69.03429	15.8
69.07053	1.7
70.03712	2.7
70.06583	3.0
71.01323	0.8
71.04992	23.7
72.04488	1.2
73.02911	0.6
73.06557	2.0
74.06081	0.9
79.01853	0.5
79.05476	1.7
80.05000	0.8
81.07036	1.6
83.01317	0.8
83.04971	3.1
83.06113	2.6
83.08601	2.1
84.04499	2.0
84.06456	0.8
84.08141	0.8
85.02905	4.0
85.06540	9.4
85.07632	0.5
86.06072	2.7
87.06845	0.7
88.07626	0.7
89.63199	0.5
94.12684	0.5
96.04470	0.7
96.06926	0.6
97.00805	1.6
97.02887	9.1
97.06529	1.2
97.07641	2.1
97.10163	2.8
98.03242	0.6
98.06065	3.3
98.21561	0.5
99.19942	0.5
100.07612	0.5
101.00880	1.2
101.07143	1.8
105.07031	0.6
107.08589	6.7
109.07639	1.8
110.08418	0.7
113.02979	1.4
113.07127	0.7
115.05400	0.8
119.01910	8.7
120.01995	0.8
120.97865	0.6
121.00794	1.1
125.02358	7.4
125.05991	1.2
125.07151	1.0
125.09638	3.8
126.03805	0.6
126.05527	1.4
127.08735	0.8
127.62175	0.5
128.06221	2.1
137.02971	4.2
138.98935	1.0
139.01807	3.7
142.03477	0.6
143.03389	100.0
143.10727	0.5
144.03719	4.5
144.04794	1.4
144.06573	1.0
144.08066	4.9
157.00021	0.6
157.19383	0.5
162.03310	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69496	0.5
55.01859	0.7
56.96557	0.5
57.03419	2.0
58.06598	4.5
58.99868	4.1
60.04513	1.6
60.08139	0.4
68.02637	1.3
69.03416	2.6
69.41492	2.3
69.41920	2.1
70.99843	2.2
71.01354	0.6
77.00907	8.6
79.51939	1.2
81.03432	2.2
81.04529	3.2
82.01415	0.6
84.04530	0.6
84.08155	4.9
85.02901	8.1
89.00892	2.7
93.53465	0.5
95.01944	3.8
95.06098	1.0
97.02887	1.8
97.07664	1.4
98.06062	0.6
98.20800	1.0
100.02476	2.1
101.00872	15.3
102.00958	0.7
102.05567	0.9
102.09165	1.0
103.02448	0.6
109.02876	0.9
115.02451	0.8
118.01109	0.8
118.03512	1.9
119.01916	100.0
120.02007	6.8
121.03514	0.9
124.02478	0.5
125.02359	1.6
131.01909	0.8
133.03447	0.8
137.02953	30.2
138.03008	2.4
141.02713	1.0
142.03525	4.4
143.01903	1.8
143.03389	10.5
143.08168	0.6
143.11797	1.6
144.06544	1.3
144.10190	22.2
145.03444	0.5
160.04565	1.0
161.02936	4.1
162.03221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
56.96565	0.8
57.03426	1.8
58.06596	5.9
58.99865	3.7
60.04512	0.6
60.08139	0.5
61.03954	0.4
68.02641	1.6
69.03423	1.4
70.01993	1.9
70.99849	2.2
77.00903	6.3
78.01021	0.5
79.51921	1.6
81.03409	2.1
81.04533	2.9
82.99829	0.6
84.08146	4.0
85.02905	4.1
86.03638	0.5
88.52437	0.6
89.00889	2.5
95.01946	2.8
95.06089	1.4
97.02895	1.3
97.07655	1.0
99.53444	0.6
100.00096	0.5
100.02474	2.2
101.00877	17.1
102.05532	1.1
102.09213	0.6
103.02441	0.8
103.98041	0.4
105.00353	0.5
109.02866	0.6
113.53255	0.5
115.02479	0.5
118.01138	0.7
118.03526	2.2
119.01917	100.0
120.02009	6.9
121.03445	0.7
122.53711	0.8
124.02459	0.6
125.02339	0.7
125.07109	1.1
131.01923	1.5
133.03467	1.0
137.02951	25.7
138.03012	2.1
141.02710	1.4
142.03569	2.9
143.01949	2.5
143.03371	5.1
143.08151	0.6
144.06561	0.7
144.10191	28.5
149.02924	0.6
150.22955	0.4
161.02953	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53190	0.8
55.01859	1.7
56.05022	1.6
56.05820	0.8
56.96561	7.6
57.04554	1.1
58.36672	0.9
58.96169	0.9
58.99852	1.7
60.04507	1.1
60.95839	1.2
62.26025	0.8
68.05007	0.9
69.03436	4.7
70.93855	2.2
70.99847	1.3
75.75784	0.8
77.00896	2.4
83.01338	0.9
83.06090	1.1
84.08159	0.8
86.06065	3.6
89.00896	1.5
95.01974	1.4
96.08114	1.1
97.02871	2.8
97.07640	2.3
100.02482	1.5
100.97193	0.8
101.00868	11.8
118.03534	6.1
118.98205	1.3
119.01919	100.0
120.02020	1.9
123.62252	0.7
125.02352	2.3
125.07104	4.7
136.04559	6.9
137.00159	1.1
137.02954	41.8
138.03030	1.1
139.25644	0.8
142.03488	11.5
142.09731	2.2
143.01822	1.0
143.02216	1.0
143.03403	15.2
160.04567	6.3
161.02924	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
64.98767	2.7
71.27273	4.3
71.27600	2.8
80.36555	2.5
100.02509	3.2
100.62732	2.3
101.00856	11.8
118.03503	6.7
119.01923	100.0
134.97896	2.3
136.04521	6.2
137.02965	50.3
142.03529	13.9
153.37743	2.5
160.04541	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	141.091
Annotation	7-Hydroxy-6-methylhepta-3,5-dienal
Peak:m/z	Relative Intensity
53.03956	9.8
55.05511	20.1
56.96555	3.7
57.03435	2.2
57.07058	2.9
58.40216	1.8
59.04999	2.1
59.93108	1.8
67.05502	66.3
69.07063	2.5
71.04974	5.5
71.31756	4.0
73.02910	2.4
73.06559	3.8
79.05457	2.0
81.03420	27.1
81.07037	10.7
85.02882	3.6
85.06529	2.5
93.07049	14.9
95.04938	2.7
95.08603	100.0
96.08927	5.7
98.97575	4.0
99.04430	4.0
99.97919	2.6
105.07024	2.1
113.02335	3.5
116.98625	4.4
117.98978	3.8
118.96796	4.2
123.08083	7.0
134.99695	3.2
136.00002	6.2
141.01814	4.7
141.05536	2.5
141.06946	2.7
142.05023	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	140.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03476	11.6
56.03770	9.5
56.05036	33.1
56.96569	52.5
57.04553	4.3
57.93560	6.9
58.02964	3.5
58.06610	4.0
59.03733	3.0
59.06115	6.6
60.04520	3.6
60.56480	2.8
63.64090	2.4
65.03957	4.8
66.42337	2.5
67.02988	6.2
67.05508	75.4
68.05025	10.6
69.03429	70.9
69.04552	4.0
69.07069	66.3
70.06594	9.6
70.62881	3.2
70.63229	8.1
71.06114	10.6
71.95261	9.6
72.04518	4.6
81.04548	10.3
81.07042	7.1
82.02927	6.5
82.05315	2.7
83.06107	27.3
84.04510	6.8
84.08141	14.7
92.55572	2.5
94.06556	14.0
95.01334	3.1
95.04970	54.4
95.06085	19.5
96.04500	6.3
96.05627	24.8
97.06405	10.0
98.07173	22.5
98.97584	64.8
99.05561	13.2
100.06351	3.5
112.03954	4.2
112.07615	100.0
113.02345	4.7
113.06023	16.0
113.07128	8.1
113.07894	3.2
116.97231	9.7
116.98621	82.1
122.06026	7.3
122.07176	14.3
123.04428	6.9
123.05556	29.9
125.02382	4.4
126.03133	2.9
134.99669	79.3
140.03456	3.3
140.07065	16.4
140.08188	30.7
141.01895	6.2
141.05510	6.0
141.06624	6.2
143.37979	2.8
146.22496	2.7
153.00723	26.7
158.01260	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	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98313	0.8
55.75324	0.8
56.03781	0.9
56.05021	2.2
56.96564	50.9
64.74557	0.8
68.05040	1.2
71.06111	1.2
71.51077	2.0
71.95261	8.4
80.59464	1.0
80.60035	0.9
81.04539	1.0
82.02934	0.9
83.06100	2.0
84.17179	0.8
89.97121	0.8
94.06537	0.9
95.06107	2.0
96.04456	1.1
96.05633	1.1
97.06407	1.0
98.07169	0.9
98.97582	88.8
99.05534	1.1
105.01360	0.9
106.14384	1.0
116.98615	100.0
117.98951	1.7
122.07144	1.8
123.05560	2.2
127.05209	0.9
134.99654	82.4
140.00191	1.9
140.03453	1.5
140.07227	1.1
140.08197	3.7
153.00700	16.6
153.01892	0.9
158.01274	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	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03475	8.0
56.03768	2.8
56.05033	21.3
56.96564	46.6
57.04559	2.4
57.93576	6.6
58.02955	1.3
58.06588	1.5
59.06130	5.4
60.04524	1.6
67.02991	3.5
67.05502	1.3
67.93565	1.1
68.05029	6.1
69.04549	2.6
70.06590	1.3
71.03024	3.1
71.06107	4.9
71.95266	7.4
72.04508	2.2
79.46858	1.0
81.04538	12.7
82.02924	3.4
82.05335	1.8
83.06104	13.0
84.04501	7.0
94.06540	1.7
94.07480	1.0
95.06090	16.1
96.04490	4.6
96.05627	11.9
97.06383	4.9
97.07620	1.2
98.07178	9.8
98.97584	64.0
99.05559	9.6
100.06318	1.9
112.04011	1.6
113.02393	1.9
113.07108	6.7
115.10842	1.1
116.97362	10.1
116.98613	89.7
118.03477	1.0
119.01929	1.4
122.06094	1.5
122.07146	8.3
123.05532	15.8
126.93333	1.0
134.99654	100.0
135.03136	5.8
136.02734	2.0
140.00194	2.3
140.03430	1.7
140.08180	22.2
140.11836	1.5
140.24326	0.9
141.01888	2.5
141.06572	2.7
148.96176	1.3
153.00706	25.5
155.80157	1.1
158.01225	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	139.1116
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
51.02374	3.0
53.03946	15.2
53.14090	1.2
55.01870	13.6
55.05505	21.1
56.96563	22.4
57.03433	12.2
57.07061	5.2
59.04996	1.2
62.14410	1.1
65.03937	4.7
65.26945	1.1
67.05502	15.9
69.03419	11.8
69.07066	17.2
69.99464	1.0
71.04993	3.6
71.95266	2.8
77.03911	2.6
79.05488	100.0
80.05817	4.0
81.03423	1.7
81.07043	17.7
82.16687	1.3
83.04979	22.5
83.08617	3.8
85.06543	1.7
91.05476	45.4
92.05804	2.3
93.07038	74.8
94.07366	2.5
95.04962	40.6
95.08601	24.4
97.02879	1.8
97.06523	41.1
98.21507	3.1
98.97583	26.3
98.98466	5.6
101.27979	1.5
103.05450	2.0
105.04515	5.3
105.07018	6.8
105.74239	1.3
106.07906	1.2
109.06480	1.8
110.07279	2.0
111.04436	6.3
111.08069	8.4
116.97236	3.8
116.98612	35.6
119.08604	1.6
121.06509	9.2
121.10140	17.3
122.10506	1.2
123.08147	1.5
134.99649	38.3
139.07530	10.4
139.11165	29.2
140.00172	1.9
140.11464	2.0
153.00726	7.9
158.01273	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	139.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	1.7
51.43241	1.2
53.03945	10.9
53.41323	1.1
54.03459	2.0
55.01871	32.6
55.05509	17.1
56.05034	1.5
56.96564	56.3
56.96849	2.7
57.03433	1.5
57.93554	4.3
59.06127	1.2
65.03942	10.1
65.04260	1.8
67.05502	11.6
68.99796	1.5
69.03425	11.8
69.07068	6.7
69.50955	10.4
70.04625	1.1
71.06107	1.6
71.95261	7.0
79.05492	53.6
80.05856	1.7
81.04496	1.2
81.07060	3.3
83.01349	1.3
83.04990	7.8
83.08605	10.5
91.05482	32.6
92.05812	1.8
93.07045	39.9
94.06551	1.6
94.07378	1.5
95.04967	26.5
95.06100	1.6
95.08624	5.4
97.02905	3.2
97.06527	10.2
98.07194	6.8
98.97584	57.6
98.98444	7.8
99.05569	1.4
105.04510	4.1
111.04453	16.5
111.08086	8.6
112.03985	2.6
116.97240	6.1
116.98618	77.9
121.02856	2.6
121.06485	4.6
122.07141	4.7
123.05555	5.1
128.77678	1.1
134.01294	1.2
134.99651	100.0
139.03940	1.9
139.07547	7.2
139.08499	1.3
139.09827	1.6
139.11177	4.1
140.00191	4.4
140.03403	1.9
140.07161	1.7
140.08186	4.6
148.96164	1.4
153.00697	27.4
158.01274	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	139.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10870	1.6
50.45736	1.7
51.02389	2.6
53.03947	19.1
54.03462	10.9
55.01873	56.2
55.02997	2.8
55.05510	39.3
56.03776	3.2
56.05039	18.7
56.96569	39.4
57.03439	3.2
57.04562	5.1
57.93566	2.2
58.02949	2.5
58.06586	3.7
59.06119	6.6
60.39505	1.9
62.88075	1.7
65.03939	28.8
67.02987	3.4
67.05505	26.2
68.02553	1.7
68.05032	6.5
68.05837	1.7
68.38370	1.6
68.99796	3.0
69.03430	21.1
69.04530	2.6
69.07069	13.6
70.06589	6.0
70.66200	2.2
71.06112	5.5
71.53674	1.6
71.55985	3.7
71.95255	6.8
72.04514	3.0
77.03931	3.8
79.05494	100.0
81.03418	4.9
81.04539	11.7
81.07041	5.3
82.02947	2.0
82.04211	1.8
83.04991	25.7
83.06097	14.7
83.08607	14.7
84.04507	3.6
91.05482	63.3
93.03419	5.1
93.07045	95.7
94.06580	3.9
94.07381	3.7
95.04366	3.4
95.04970	63.7
95.06085	8.2
95.08619	10.0
96.04480	4.3
96.05653	14.4
96.79018	1.8
97.02890	13.4
97.06517	29.6
97.07666	7.9
98.07182	30.5
98.97588	46.9
98.98483	12.7
99.05576	8.8
100.06361	2.2
103.05463	4.4
105.04507	11.5
105.07045	2.7
108.79808	1.8
110.03647	3.2
111.04437	37.0
111.05598	3.1
111.08080	19.6
112.04012	3.8
112.08733	7.8
113.07127	6.0
116.97254	7.9
116.98621	66.5
116.99453	4.0
118.93664	1.8
121.02866	11.6
121.03677	1.9
121.06525	9.6
121.10135	4.9
122.06238	2.7
122.07153	16.3
123.05562	16.4
125.02348	14.5
134.99661	93.6
139.01680	1.7
139.03957	11.7
139.04877	2.7
139.07588	14.5
139.08665	3.1
139.09778	15.9
139.11179	8.9
140.00215	3.1
140.03445	4.5
140.04622	3.0
140.08186	21.9
141.06566	4.6
153.00719	23.1
158.01274	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	139.0753
Annotation	4-(Hydroxymethyl)-2-methylphenol
Peak:m/z	Relative Intensity
53.03943	16.9
55.01868	20.2
55.05512	14.8
56.96566	35.9
57.93544	2.5
62.43433	2.0
62.47393	1.9
65.03941	11.1
65.75494	2.3
67.05494	10.0
69.03427	10.1
69.07042	5.1
71.95252	4.3
79.05492	100.0
80.05798	4.3
81.07059	3.6
83.04964	6.4
83.08607	7.4
91.05476	47.6
93.03413	2.2
93.07047	53.4
94.80350	2.1
95.04970	43.1
95.08599	4.4
96.13908	2.0
97.06522	15.2
98.97574	31.0
98.98474	8.2
105.04511	6.9
107.41625	2.1
111.04433	12.0
111.08072	7.0
112.03948	3.1
116.97211	6.8
116.98614	49.7
121.02819	2.4
121.06496	8.6
134.99657	63.0
139.07539	13.9
139.11214	3.5
140.03458	3.5
149.33572	2.2
153.00705	17.3
158.01215	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	139.0753
Annotation	4-(Hydroxymethyl)-2-methylphenol
Peak:m/z	Relative Intensity
53.03940	14.5
53.36561	1.2
55.01874	12.3
55.05510	14.5
56.96564	20.1
57.03430	6.0
57.07079	1.8
59.04993	2.9
62.93984	1.3
64.72668	1.2
65.03930	5.8
67.05499	10.9
67.18610	1.1
68.99780	1.2
69.03425	10.0
69.07065	11.2
69.34223	12.6
71.04987	1.5
71.95243	2.7
77.03912	2.0
79.05489	100.0
81.03419	1.4
81.07047	8.2
83.04965	12.7
83.08614	2.9
91.04901	1.6
91.05474	46.1
93.07039	49.5
95.04963	35.2
95.08605	11.6
97.06527	27.0
98.97573	23.5
98.98448	4.5
105.04498	5.9
105.07034	3.1
110.07312	1.5
111.04437	5.0
111.08077	5.9
116.97282	1.5
116.98612	29.7
116.99433	2.0
119.08623	1.2
121.06511	7.2
121.10136	11.9
134.99644	28.2
139.03891	1.4
139.07571	12.0
139.11162	14.4
141.18977	1.1
153.00754	7.6
158.01280	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0753
Annotation	4-(Hydroxymethyl)-2-methylphenol
Peak:m/z	Relative Intensity
51.02371	2.4
52.00442	1.0
52.38633	0.9
53.03943	18.4
55.01868	17.6
55.05511	12.7
56.96568	8.0
65.03922	3.9
67.05508	9.7
69.03429	5.8
69.07040	2.6
69.33923	8.6
69.34334	1.7
77.03916	3.1
79.05489	100.0
80.05813	2.1
81.03403	1.6
83.04974	2.5
83.08608	8.6
91.05476	54.1
92.05803	1.7
93.07036	62.1
94.07384	2.6
95.04963	40.0
95.08590	3.9
96.05296	1.1
97.06522	14.8
98.21461	2.2
98.97596	6.9
98.98447	4.5
105.04518	8.5
111.04393	4.9
111.08084	9.1
115.10718	1.0
116.97191	1.4
116.98606	10.2
121.06510	10.1
134.99640	12.3
139.07521	12.8
139.11098	1.2
140.03419	1.6
153.00722	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	139.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.3
52.29220	1.1
53.03946	16.8
54.03469	2.3
55.01872	49.6
55.05510	29.6
56.05030	2.0
56.96564	51.9
57.03419	1.3
57.93562	2.4
59.04993	1.3
59.06121	1.7
59.70737	1.3
65.03936	12.6
67.05505	15.6
68.99773	1.6
69.03429	13.0
69.07061	11.4
70.06580	2.6
71.02865	3.4
71.03725	1.2
71.06122	1.9
71.95261	5.7
77.03902	1.8
78.76552	1.2
79.05493	76.1
80.05822	2.2
81.03399	3.5
81.04568	1.4
81.07042	4.0
82.07324	1.5
83.04977	11.2
83.06088	1.5
83.08626	12.8
88.80026	1.2
91.05480	42.3
91.38483	1.2
93.03409	2.6
93.07044	65.8
94.07359	1.3
95.04363	2.4
95.04965	38.2
95.06073	3.2
95.08591	5.1
97.02879	2.5
97.06514	15.1
98.07178	8.5
98.97579	47.4
98.98465	10.7
99.05603	2.0
103.05450	1.8
105.04513	7.5
105.07027	2.2
106.42060	1.3
108.29813	1.3
111.04438	18.3
111.08079	11.2
112.04028	1.8
116.97231	5.0
116.98617	67.0
121.02858	4.0
121.06496	5.8
121.10137	3.7
122.07160	5.2
123.05502	6.5
125.02383	1.3
134.99655	100.0
139.03880	3.5
139.04936	1.3
139.07552	12.1
139.09732	1.6
139.11157	4.4
139.12219	1.4
140.00197	3.6
140.03397	3.5
140.07182	1.2
140.08211	6.1
148.96098	1.3
153.00700	24.9
158.01265	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	139.0753
Annotation	4-(Hydroxymethyl)-2-methylphenol
Peak:m/z	Relative Intensity
51.02381	4.0
53.03943	18.1
55.01870	55.6
55.05511	35.1
56.96562	29.6
57.03423	3.5
57.23697	2.5
65.03927	11.4
67.05502	25.1
69.03418	11.1
69.07051	7.2
70.74206	9.5
77.03943	2.9
79.05492	100.0
80.05807	2.9
80.89867	2.9
81.03404	2.6
81.07070	2.8
83.04981	7.6
83.08626	18.2
91.05476	59.0
93.03402	2.7
93.07041	90.1
93.07630	5.1
94.07376	4.6
95.04961	50.6
95.05962	2.6
95.08602	6.7
97.02809	2.2
97.06525	14.8
98.07182	6.1
98.97585	44.5
98.98454	4.9
102.64429	2.5
105.04532	7.1
111.04433	13.6
111.08061	13.7
112.03914	3.1
116.97294	4.4
116.98612	54.2
121.06503	8.6
122.07099	4.7
123.05556	4.5
132.91345	2.4
134.99661	46.5
139.03909	2.9
139.07495	16.1
139.11162	6.2
140.03481	3.1
140.08154	3.8
145.41434	2.5
147.77129	2.6
149.51854	2.6
153.00700	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	139.039
Annotation	Sesamol
Peak:m/z	Relative Intensity
51.02358	1.3
53.00306	9.9
53.03946	5.5
53.04570	1.1
54.03469	6.0
55.01871	10.6
55.05510	18.5
56.03754	2.1
56.05036	20.8
56.05295	2.4
56.96564	39.8
57.04546	3.0
57.93558	2.5
58.02957	2.0
58.05000	1.1
58.05317	1.1
58.06597	2.5
59.06110	4.0
60.04522	1.3
65.03938	78.6
65.71941	1.1
66.04270	2.0
67.02980	3.0
67.05508	10.0
68.02634	2.2
68.05023	8.3
68.99789	17.8
69.03424	15.7
69.04536	3.7
69.07058	3.2
70.02945	1.1
70.06593	6.8
71.01344	1.7
71.06107	4.1
71.32660	2.5
71.95266	5.4
72.04503	4.4
79.01830	1.2
79.05479	4.6
80.05003	3.0
81.03421	10.1
81.04527	8.3
81.07047	1.3
82.02937	2.3
82.05315	1.8
82.06605	1.6
83.04982	27.1
83.06100	15.4
84.04518	5.5
84.05644	1.2
84.08109	1.2
85.07650	1.6
91.05474	3.3
93.03399	9.4
93.04523	1.7
93.07034	9.2
94.06553	4.5
95.04974	16.6
95.06089	15.2
95.08588	2.3
96.02104	3.9
96.04494	3.6
96.05631	11.6
97.02905	7.3
97.04050	1.2
97.06469	8.9
97.07655	3.6
98.06066	1.8
98.07173	15.3
98.97578	40.8
98.98454	10.1
99.05597	6.7
100.06364	1.9
105.04467	1.4
110.03607	2.0
111.04440	96.0
111.08046	1.7
112.03958	3.7
112.04794	3.4
112.05886	1.1
112.07574	2.6
112.08733	6.0
113.07138	5.5
116.97237	6.7
116.98615	68.9
121.02864	23.3
121.03963	5.8
121.06509	2.0
121.10149	2.0
122.06132	2.2
122.07144	12.4
123.05544	11.0
125.02384	2.8
134.02989	5.8
134.99651	100.0
139.03903	73.0
139.04855	2.5
139.07596	2.6
139.08681	2.9
139.09775	10.8
139.11140	3.2
139.12201	1.3
140.03383	3.0
140.04317	3.8
140.07074	2.5
140.08160	22.4
141.06543	2.1
148.96169	1.3
152.04095	1.2
153.00699	29.1
158.01224	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	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.3
51.40607	0.5
53.03947	4.4
54.03468	0.7
55.01873	3.1
55.05508	5.1
55.11731	0.6
56.05024	0.6
57.03427	1.6
59.05005	1.2
65.03938	6.5
66.04720	11.7
67.05501	39.4
67.71820	0.7
68.05013	0.7
68.05844	0.6
69.03425	1.8
69.04542	1.2
69.07059	2.5
69.91313	3.4
70.02950	0.7
70.48908	0.5
77.03918	1.8
79.05489	16.8
80.05044	0.8
81.03411	6.0
81.04545	3.1
81.06578	1.1
81.07051	19.4
82.07368	0.7
83.04964	1.8
87.61332	0.6
88.87265	0.5
91.05479	35.6
92.05795	1.0
93.07040	8.6
94.04182	67.9
95.01302	1.2
95.04974	18.3
95.05919	0.7
95.08607	10.7
96.04511	0.6
96.05647	1.0
97.06394	4.6
97.06937	0.8
98.20763	0.8
103.05456	0.7
104.06224	0.8
105.03403	0.8
105.04519	1.1
105.07022	3.0
107.04938	5.4
107.08595	8.1
108.05742	0.7
109.06512	15.0
109.10151	10.5
110.06044	0.9
110.07169	3.0
111.05547	1.1
117.07011	3.4
119.04978	1.4
119.06072	0.6
119.08580	11.2
120.05582	0.6
121.06496	0.6
122.03641	83.0
122.07242	6.7
123.03938	2.7
135.04437	1.2
137.02477	3.5
137.05971	100.0
137.09604	45.5
138.01741	0.8
138.05432	2.0
138.06351	4.3
138.09970	1.7
154.14592	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03944	10.0
54.03450	1.4
55.01871	35.3
55.05511	33.2
56.05856	1.0
56.96556	1.2
57.03435	2.5
57.07073	1.1
61.64032	1.0
65.03931	8.1
66.04719	8.9
67.05502	94.3
68.05012	2.4
68.05828	1.9
69.03424	12.3
69.04547	3.1
69.07055	4.7
71.45538	1.5
79.05492	35.0
81.03423	5.6
81.04549	6.9
81.07053	73.4
82.06566	1.2
82.07372	2.2
83.04964	2.2
83.06087	2.5
91.05477	30.4
93.07044	12.6
94.04182	60.9
94.06581	1.8
94.07866	1.3
95.04970	26.6
95.06048	1.9
95.08606	33.2
96.05690	2.2
97.06395	9.9
98.04822	1.5
105.03302	1.3
105.07000	1.5
107.04946	7.5
107.08582	4.3
109.02887	1.7
109.06524	17.8
109.10149	24.4
110.06059	1.8
110.07194	8.3
111.05547	3.4
111.08090	3.8
117.06998	1.2
119.08561	7.0
121.06461	2.2
121.07650	1.2
122.03645	75.9
122.07287	12.2
123.03990	2.3
137.02498	6.2
137.05972	100.0
137.08250	4.1
137.09608	30.5
137.10616	1.7
137.13243	1.7
138.05450	3.6
138.06444	5.2
138.09120	1.7
138.10121	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.02383	1.0
53.03948	3.2
55.01869	1.9
55.05503	3.4
56.96559	1.7
65.03938	4.4
66.04722	7.6
66.79100	0.6
67.05505	32.0
68.02854	0.6
68.05019	0.6
69.03435	1.5
69.07057	1.9
69.51186	5.0
70.98152	0.7
77.03938	0.9
78.04715	0.5
78.97324	0.6
79.05491	11.9
80.28917	0.5
81.03423	1.4
81.06580	1.1
81.07056	19.5
91.05484	19.4
92.05824	0.7
93.07037	6.2
94.04187	48.2
94.07834	2.3
95.04479	1.1
95.04987	8.5
95.08605	13.2
96.04477	1.2
97.06420	0.7
103.05458	2.3
104.06265	1.6
105.03392	1.0
105.04514	1.7
107.04951	31.8
107.08578	2.0
108.05284	0.9
109.06503	4.6
109.10156	29.2
110.06023	0.7
110.07171	1.1
110.10493	1.1
117.07013	2.7
119.08575	14.5
121.06496	10.3
122.03651	58.7
122.07286	100.0
123.03999	2.3
123.07629	3.1
135.04401	0.8
135.08061	4.5
137.02441	2.1
137.05978	68.9
137.09612	61.0
138.01837	0.6
138.05493	2.0
138.06415	2.9
138.09972	2.2
141.53407	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.02381	1.0
53.03948	2.4
55.01878	0.8
55.05499	2.4
58.29827	0.6
65.03929	0.8
66.04713	0.7
67.05503	28.0
69.03432	1.3
69.07063	1.6
71.13197	1.1
71.13563	1.5
78.04703	0.8
79.05503	6.3
80.06315	0.6
81.07054	9.9
91.05480	16.3
93.07047	4.5
94.04192	7.7
94.07828	1.7
95.04967	4.6
95.08606	5.2
103.05465	2.1
104.06232	1.8
107.04949	29.8
107.08591	1.7
109.06499	1.7
109.10152	27.8
109.10915	0.9
110.10496	0.7
117.07024	2.0
119.08584	14.8
120.08958	0.9
121.06503	10.1
122.03658	8.4
122.07282	100.0
123.07635	3.1
135.08067	3.4
137.05983	10.7
137.09610	62.7
138.09979	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.81467	0.8
53.03939	2.9
55.05503	3.9
57.39456	0.9
65.03940	1.9
67.05504	50.6
69.03414	1.6
69.07074	3.1
69.23640	13.1
69.23996	2.3
75.93901	1.1
79.05490	7.1
81.07055	14.3
91.05482	14.8
93.06135	1.2
93.07032	5.8
94.04158	1.7
94.07841	2.2
95.04974	5.0
95.08604	10.5
98.21458	2.3
98.40182	1.1
103.05475	1.7
107.04956	28.2
107.08614	3.0
109.06526	3.4
109.10155	42.7
110.10529	1.3
115.05492	1.4
117.06989	2.9
119.08594	15.5
121.06502	11.7
122.07285	100.0
123.07570	2.4
135.08047	3.9
137.06021	1.8
137.09616	78.8
138.09927	1.2
144.82413	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03925	2.4
55.05489	2.5
65.03921	1.8
65.39406	0.6
66.04732	3.7
66.92825	0.7
67.05502	31.9
68.05800	0.7
69.03416	2.4
69.04555	0.9
69.07044	1.2
69.44622	5.4
69.45027	1.6
78.04652	0.6
78.50031	0.6
79.05486	8.3
81.03420	2.4
81.04523	1.6
81.07050	17.0
83.06126	0.6
85.67474	0.6
91.05478	19.0
93.07042	6.4
94.04186	20.0
94.06538	0.8
94.07816	1.8
95.04973	5.1
95.06119	0.7
95.08608	12.9
96.04478	1.1
96.05615	0.9
97.06422	3.5
98.04735	1.0
98.20788	1.5
103.05431	1.5
104.06251	1.3
107.04953	29.0
107.08591	2.1
108.05264	0.9
109.06532	4.1
109.10151	29.1
110.05982	0.9
110.07165	3.3
117.07008	2.4
119.04913	0.8
119.08578	14.0
121.06486	9.6
122.03653	21.9
122.07278	100.0
123.07568	3.7
135.08051	3.6
137.02431	2.3
137.05975	30.0
137.09610	62.5
138.05484	2.6
138.06465	1.5
138.09993	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	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02388	1.3
51.40607	0.5
53.03947	4.4
54.03468	0.7
55.01873	3.1
55.05508	5.1
55.11731	0.6
56.05024	0.6
57.03427	1.6
59.05005	1.2
65.03938	6.5
66.04720	11.7
67.05501	39.4
67.71820	0.7
68.05013	0.7
68.05844	0.6
69.03425	1.8
69.04542	1.2
69.07059	2.5
69.91313	3.4
70.02950	0.7
70.48908	0.5
77.03918	1.8
79.05489	16.8
80.05044	0.8
81.03411	6.0
81.04545	3.1
81.06578	1.1
81.07051	19.4
82.07368	0.7
83.04964	1.8
87.61332	0.6
88.87265	0.5
91.05479	35.6
92.05795	1.0
93.07040	8.6
94.04182	67.9
95.01302	1.2
95.04974	18.3
95.05919	0.7
95.08607	10.7
96.04511	0.6
96.05647	1.0
97.06394	4.6
97.06937	0.8
98.20763	0.8
103.05456	0.7
104.06224	0.8
105.03403	0.8
105.04519	1.1
105.07022	3.0
107.04938	5.4
107.08595	8.1
108.05742	0.7
109.06512	15.0
109.10151	10.5
110.06044	0.9
110.07169	3.0
111.05547	1.1
117.07011	3.4
119.04978	1.4
119.06072	0.6
119.08580	11.2
120.05582	0.6
121.06496	0.6
122.03641	83.0
122.07242	6.7
123.03938	2.7
135.04437	1.2
137.02477	3.5
137.05971	100.0
137.09604	45.5
138.01741	0.8
138.05432	2.0
138.06351	4.3
138.09970	1.7
154.14592	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03942	5.4
54.03457	0.7
55.01868	3.0
55.05510	26.4
57.03427	1.8
57.07071	1.1
63.36020	0.7
65.03936	7.0
66.04717	1.9
67.05502	100.0
68.05834	2.8
69.03076	1.1
69.03427	12.4
69.04559	0.8
69.07062	4.9
69.56541	3.3
69.56976	2.3
70.02950	0.8
79.05492	38.8
80.05835	1.0
80.91912	0.7
81.03413	3.2
81.04537	3.1
81.07053	75.7
82.07392	2.4
91.05475	23.3
92.05817	0.7
93.07038	11.2
94.04187	12.6
95.04964	18.3
95.06059	1.0
95.08602	26.2
96.04485	1.3
96.05656	1.4
97.06387	4.0
98.20767	1.6
104.25963	0.8
105.04523	1.0
105.07023	0.9
107.04951	3.9
107.08568	4.9
108.05682	0.8
109.06515	22.5
109.10152	22.0
110.07177	3.9
111.05544	1.7
111.08093	4.7
117.07016	1.3
119.04964	1.3
119.08581	4.6
121.06474	1.1
122.03648	14.2
122.07292	7.4
137.02452	1.8
137.05974	68.7
137.09610	23.4
137.10686	0.6
138.05453	1.8
138.06374	3.4
138.10013	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02380	0.8
53.03941	2.2
55.01866	1.4
65.03934	3.5
66.04718	12.1
67.05079	0.7
67.05498	3.8
69.03414	0.5
69.86143	2.1
77.03934	1.0
79.05489	6.6
81.03397	0.7
81.04548	1.0
81.07055	5.1
91.05476	7.2
93.03401	0.5
93.07030	0.9
94.04182	79.3
95.04498	1.2
95.05016	3.4
95.08579	0.8
97.06380	1.6
99.93899	0.4
105.03369	0.8
107.04955	2.6
109.06517	2.2
109.10159	2.0
110.07140	0.8
111.05550	0.5
122.03642	91.3
122.07275	1.5
123.03969	3.1
135.04408	1.1
137.05972	100.0
137.09607	1.8
138.06313	4.4
148.43863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02389	0.9
53.03943	2.2
55.01865	1.7
65.03941	3.9
66.04723	12.9
67.02921	0.6
67.05504	3.8
69.04530	0.7
69.69887	3.8
77.03931	1.3
79.05495	7.1
79.78406	0.6
81.03414	0.9
81.07054	6.0
91.05484	7.9
92.05840	1.0
93.07046	1.5
94.04188	73.8
95.04449	1.2
95.05014	4.5
97.06414	1.1
98.21478	1.5
105.04523	0.7
107.04967	2.8
109.06512	2.6
110.07201	0.7
119.04920	0.8
122.03648	84.6
123.03979	3.0
135.04427	1.4
137.05978	100.0
138.06332	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03932	1.5
55.01864	1.3
56.99908	1.0
60.54296	0.9
65.03951	2.9
66.04722	12.8
69.05554	1.0
70.83082	3.7
70.83432	1.1
73.35256	0.9
74.34721	1.1
79.05489	5.2
81.07045	2.3
90.75626	1.0
91.05491	5.1
94.04182	80.8
95.04470	1.9
95.04983	2.7
107.04951	2.1
120.04202	1.0
122.03643	91.1
123.03968	3.5
135.04456	1.3
137.05972	100.0
138.06325	3.5
153.41223	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02381	1.5
53.03944	2.7
54.07647	0.5
55.01872	2.0
56.96569	1.1
65.03938	4.6
65.12452	0.5
66.04716	13.6
67.05503	4.5
69.03422	0.8
70.25172	2.4
76.84769	0.5
77.03926	1.4
79.05489	7.1
81.03426	1.7
81.07057	6.2
82.07447	0.6
85.77779	0.5
91.05478	8.6
93.07037	1.9
94.04182	76.0
94.06566	1.2
95.01335	0.6
95.04462	0.9
95.04975	4.7
95.08593	3.6
96.04486	1.2
105.03412	0.9
105.04520	0.8
107.04932	3.5
109.06532	4.0
109.10155	1.6
110.06040	1.1
119.04962	0.6
119.08583	0.7
122.03643	90.3
122.07303	2.2
123.03978	3.3
127.04047	0.5
135.04449	0.9
137.02531	4.7
137.05969	100.0
137.09575	2.0
138.01758	1.2
138.05418	5.5
138.06415	3.7
154.21873	0.5
158.27092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0757
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
53.03941	0.3
55.05514	0.2
56.96563	3.2
57.03432	0.6
57.93181	0.2
58.99879	0.2
62.00546	0.2
64.01134	0.2
65.03941	1.9
67.02990	0.8
67.05515	0.3
69.03422	0.3
69.88461	1.2
77.00890	0.2
77.75687	0.2
78.52959	0.2
79.05478	0.4
80.05019	0.5
81.03423	0.4
81.07048	0.8
82.04090	0.5
85.02892	0.3
91.05478	68.3
92.02507	0.9
92.05016	0.2
92.05180	0.2
92.05800	2.4
93.05786	0.8
94.04052	5.6
94.06590	0.5
95.04942	0.5
95.08630	0.2
97.02911	0.3
98.97582	0.3
100.02462	0.4
101.06092	0.2
107.04951	3.4
108.08125	1.9
109.01112	0.3
109.05131	1.1
109.06522	1.8
110.03526	0.5
112.05086	0.8
113.00850	0.6
115.02418	0.3
116.98595	0.3
117.05777	0.3
118.03511	0.7
118.06541	2.1
119.01888	0.6
119.03562	14.9
119.04918	13.3
120.05300	0.3
122.03629	0.5
127.04022	0.2
128.98656	0.2
131.01903	5.4
132.02049	0.4
135.05048	0.4
136.02164	3.0
136.06183	100.0
136.07533	7.9
137.04582	15.8
137.05708	0.6
137.06512	2.0
147.04977	0.3
149.02960	1.3
154.03500	0.3
154.94130	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
54.03471	0.2
55.01872	0.3
55.02974	0.3
55.05499	0.5
56.96561	3.7
57.03434	0.6
58.99863	0.3
65.03925	0.7
67.01877	0.2
67.02984	0.7
67.05493	0.5
68.05004	0.4
69.03423	0.7
70.70580	0.7
71.20857	0.2
77.03915	0.3
79.05485	0.7
80.05001	0.6
81.03405	1.0
81.04543	0.7
81.07045	0.8
82.04050	0.3
82.06608	0.2
85.02909	0.3
91.05479	6.7
92.02490	1.2
92.05767	0.2
93.05787	0.7
93.07037	0.8
94.04068	7.3
95.01304	0.3
95.01904	0.2
95.04967	0.9
95.06038	0.5
95.08575	0.4
96.04494	0.2
96.06863	0.7
97.02897	0.8
98.97601	0.5
100.02493	0.3
102.02238	0.3
107.04997	0.5
108.08128	1.3
109.01099	1.0
109.05159	1.1
109.06528	0.9
109.07636	0.9
110.03502	2.0
110.07181	0.4
111.93744	0.2
112.05086	1.0
113.00885	0.7
115.17422	0.2
116.98649	0.4
117.03986	2.0
118.03522	0.5
118.06543	0.6
119.01888	0.8
119.03548	15.6
119.04945	1.5
122.03666	1.6
131.01903	6.2
132.02008	0.3
133.03438	0.3
134.99614	0.3
135.05023	2.7
136.02168	9.6
136.06181	100.0
136.93105	0.3
137.02400	0.8
137.04587	21.3
137.05836	1.5
137.06602	1.4
137.09514	0.2
138.04948	0.3
145.66527	0.2
148.35486	0.3
149.02980	2.4
154.03442	0.4
154.94147	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0617
Annotation	Adenine
Peak:m/z	Relative Intensity
50.35373	0.6
56.96564	0.6
70.73882	1.9
75.53141	0.6
75.59626	0.5
75.83189	0.5
81.04543	0.8
81.07061	1.4
82.04059	0.6
91.05473	2.1
92.02479	1.2
93.07005	0.8
94.04055	5.7
95.04967	0.8
108.33241	0.5
109.01095	1.8
109.05119	1.9
109.06496	0.8
109.07610	0.9
110.07169	0.7
119.03544	15.3
119.04877	0.9
122.03635	1.2
128.75470	0.6
136.02170	10.2
136.06180	100.0
137.02481	0.9
137.04596	10.9
137.05779	1.2
137.06659	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.12011	0.9
50.21560	1.0
51.02386	1.2
51.11590	1.2
53.03944	7.6
55.01854	2.7
55.05507	9.0
65.03935	5.3
67.05504	6.6
67.09844	1.0
68.05038	1.4
69.07047	3.8
70.89764	2.0
70.90093	1.3
77.03931	1.2
79.05489	37.2
80.04990	1.3
81.07053	5.9
91.05476	65.1
92.05791	2.2
93.05799	2.1
93.07040	59.4
95.04961	16.5
95.05988	1.3
96.06816	1.2
103.05476	1.7
104.06252	1.5
105.04522	3.6
105.07022	28.6
106.07847	1.4
107.04959	8.9
107.08586	100.0
108.04492	1.5
108.08909	2.7
109.01099	6.1
109.06499	11.4
115.05418	3.6
117.06995	4.8
117.57080	1.3
118.06543	1.2
119.06051	4.3
119.08579	16.2
120.09370	7.9
133.10153	1.5
135.04462	7.5
135.05380	1.9
135.06499	1.2
135.08067	9.4
135.11688	28.4
136.02158	61.7
136.03827	2.4
136.06157	6.9
136.07553	4.6
136.08580	2.3
137.09619	1.3
152.87576	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03951	6.9
55.01865	1.3
55.05506	12.2
57.07057	1.8
65.03931	4.3
67.05500	8.3
69.07044	2.8
69.41030	11.5
79.05487	32.4
80.05800	1.9
81.07044	9.1
91.05473	62.6
92.05798	2.3
93.07039	62.0
94.07344	2.3
95.04961	14.2
96.06815	1.3
98.21492	2.4
103.05449	2.2
105.04503	3.1
105.07028	28.5
107.04933	2.5
107.08585	100.0
108.08929	3.2
109.01096	2.4
109.06525	10.8
115.05468	2.3
117.06995	4.2
119.06053	2.8
119.07787	2.2
119.08574	23.7
120.09399	6.2
133.10139	2.9
135.04428	2.4
135.08035	4.7
135.11674	34.6
136.02168	12.3
136.06146	1.7
136.12006	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.9
54.85547	0.8
55.01859	1.0
55.05510	13.5
63.03953	0.7
65.03927	3.0
67.05514	6.4
69.07062	4.7
70.51382	0.7
70.91396	2.6
77.03918	1.4
79.05490	27.9
80.05817	1.3
81.03401	0.7
81.07057	7.4
91.05479	49.5
92.05777	1.6
93.07039	69.6
94.07349	1.5
94.07854	1.9
95.04962	12.4
95.06097	0.8
96.05212	0.8
101.29790	0.8
103.05488	1.6
105.04508	2.0
105.07026	20.5
107.04922	2.5
107.08589	100.0
108.08915	3.2
109.06517	9.7
115.05485	0.8
117.07024	1.3
119.06050	2.4
119.08577	6.6
120.09336	2.7
133.10143	1.4
135.04413	2.1
135.08022	2.4
135.11684	17.2
136.02161	9.1
136.06256	1.1
136.08615	1.1
152.44305	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03940	5.5
55.05502	5.1
57.07062	2.0
65.03932	3.9
67.05496	2.6
69.07065	2.5
69.51884	11.3
73.35489	1.3
79.05486	18.0
81.07069	1.9
91.05480	56.3
92.05776	1.8
93.07043	50.5
93.07635	2.8
95.04964	9.0
97.16186	1.3
98.21527	1.4
104.06273	1.5
105.04498	1.4
105.07026	30.2
105.07683	2.2
106.07882	2.1
107.08591	100.0
108.08925	4.0
109.06499	13.5
117.07023	2.7
119.06035	3.6
119.08572	22.7
120.09370	7.8
122.22184	1.2
135.11693	30.8
136.12045	1.5
137.09584	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03944	5.5
53.24089	0.7
55.01847	0.9
55.05507	13.7
57.07071	1.0
65.03945	3.9
67.05517	5.5
69.07069	4.6
69.76048	5.4
77.03927	1.1
79.05491	31.0
80.05780	0.8
81.07053	7.2
91.05480	52.8
92.05799	2.3
93.07037	65.2
94.07319	1.0
94.07832	1.1
95.04963	12.6
95.06040	1.2
96.06870	1.2
98.20811	1.2
103.05489	1.3
105.04504	2.7
105.07025	20.2
107.04929	3.8
107.08591	100.0
108.08940	3.9
108.72826	1.0
109.01093	1.8
109.06522	10.4
109.07623	1.7
115.05426	1.6
117.07015	1.7
119.06046	3.6
119.08579	9.4
120.09397	4.0
127.13574	0.9
135.04379	3.1
135.08058	2.6
135.09064	0.9
135.11690	16.4
136.02165	10.8
136.07593	1.4
136.08649	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.60917	0.9
51.02365	1.2
53.03939	10.4
54.03487	1.6
55.01866	4.0
55.05509	14.5
58.62492	0.9
65.03930	5.1
67.05503	9.3
68.05029	5.9
69.03413	1.5
69.07074	4.7
69.29799	11.3
70.22186	1.0
77.03918	1.4
79.05490	54.0
80.05022	1.8
81.03408	1.8
81.07061	8.2
82.06581	1.7
89.03951	1.8
91.05480	78.8
92.05795	1.5
92.06297	1.2
93.07043	75.8
94.06542	1.6
94.07376	2.8
95.04964	24.1
95.06068	3.1
96.06868	5.0
98.78912	0.9
103.05448	2.8
104.06254	1.1
105.04498	3.8
105.07029	30.0
107.01360	1.2
107.04957	14.1
107.08592	100.0
108.04496	1.9
108.05569	1.3
108.08165	2.2
108.08932	3.6
109.01082	5.0
109.06507	12.0
109.07648	4.3
115.05460	6.0
117.07010	4.8
118.06557	1.0
119.06081	5.3
119.08583	13.6
120.09373	2.8
133.10115	1.0
133.21169	0.9
135.04425	13.6
135.05458	2.2
135.08052	17.7
135.09015	2.0
135.10706	1.5
135.11682	21.1
136.02162	47.6
136.03804	1.8
136.05203	1.6
136.06137	6.7
136.07578	4.0
136.08679	5.2
136.11127	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.61744	1.2
52.01864	1.0
53.03943	8.6
55.01854	2.7
55.05508	11.1
55.67526	1.0
60.92082	1.0
65.03951	5.7
67.05494	3.5
68.05038	1.5
69.07057	2.9
70.01029	3.1
70.01453	3.1
77.03900	2.3
79.05489	36.7
80.17883	0.9
81.07039	4.5
89.03914	1.9
91.05473	86.3
92.05782	2.7
92.06287	1.9
93.05795	1.7
93.07039	52.7
93.07633	2.7
95.04968	18.6
95.06079	1.8
96.06860	3.1
103.05449	1.9
104.06257	2.0
105.04497	2.6
105.07024	38.6
106.07298	1.8
107.04965	9.0
107.08585	100.0
108.04469	1.2
108.05531	1.3
108.08909	3.2
109.01080	3.0
109.06516	16.8
109.07229	1.3
109.07640	3.6
115.05428	3.7
117.07022	4.5
119.06033	6.2
119.08572	23.4
120.09406	8.0
133.10107	2.8
135.04420	6.0
135.08058	8.9
135.11682	20.4
136.02158	23.0
136.06146	2.7
136.07625	2.0
136.08632	3.0
152.36949	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02373	1.1
53.03938	9.4
55.01874	5.5
55.05512	8.3
57.07074	1.8
65.03934	6.2
67.05505	6.3
68.05026	1.7
69.03416	1.6
69.07061	2.9
71.18931	1.0
71.19271	1.5
77.03925	1.6
79.05490	37.3
80.05015	0.8
80.05824	1.5
81.03420	2.1
81.07050	4.2
89.03934	0.8
91.05479	76.7
92.05806	1.8
93.03390	1.2
93.07043	59.3
94.07358	1.3
95.04967	17.8
95.06002	1.1
95.08592	1.3
96.06870	2.0
103.05447	1.9
104.06213	1.8
105.04521	3.3
105.07029	34.8
106.07339	1.7
107.04963	9.6
107.08591	100.0
108.08218	0.8
108.08928	3.5
109.01094	4.9
109.06511	12.7
109.07643	0.9
115.05465	5.3
117.07016	6.3
119.03526	1.2
119.06107	3.9
119.08580	20.8
120.09405	5.6
133.10150	1.5
135.04398	4.4
135.05489	1.8
135.06519	1.0
135.07060	1.1
135.08060	11.7
135.11690	32.4
136.02164	42.2
136.03825	1.5
136.06172	8.9
136.07538	2.8
136.08473	1.5
137.09584	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
51.02383	1.7
51.66826	0.9
53.03947	7.4
55.01865	2.4
59.06110	1.7
60.04510	3.0
60.37437	1.1
63.02373	5.7
65.03934	2.4
67.05515	2.9
68.05017	1.9
75.05580	2.5
75.88514	1.0
79.00871	1.1
79.05491	38.2
80.04996	3.2
80.73111	1.1
81.03410	1.3
81.07047	1.8
81.72166	0.9
87.05586	5.2
89.03913	100.0
90.04267	2.7
91.05482	13.3
93.07019	7.9
94.06563	3.1
95.04967	19.5
95.06110	1.9
96.06853	2.1
98.20793	2.8
105.04498	3.3
105.07018	3.2
107.04952	32.1
107.06065	1.5
107.08585	11.3
108.04482	2.1
108.08120	1.9
109.01123	5.6
109.06486	1.4
109.07643	1.7
117.03374	26.0
119.06004	1.8
119.08569	1.2
135.04420	55.8
135.05437	2.1
135.06598	2.0
135.08046	3.9
135.09111	2.5
135.11728	1.9
136.02159	41.9
136.03789	2.1
136.04817	1.2
136.06195	3.8
136.07539	3.2
136.08591	2.4
136.11189	1.4
143.46138	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02374	0.5
53.03940	2.3
55.01882	0.6
55.05510	2.5
59.27216	0.2
65.03929	0.8
66.71356	0.2
67.05493	1.0
69.69218	1.8
70.99309	0.2
77.03923	0.9
78.04707	0.4
79.05489	10.1
80.05820	0.5
83.00243	0.2
90.22406	0.3
91.05477	25.8
92.05799	1.0
93.07041	9.0
95.04966	4.4
103.05463	5.0
105.04536	0.7
105.07027	62.2
106.07352	2.5
107.08563	1.3
115.05445	7.4
116.06263	1.4
117.07014	8.6
118.04153	0.4
118.07809	6.3
119.08141	0.3
123.08060	0.3
129.07028	0.5
131.08565	6.6
133.02863	0.6
133.06531	3.2
133.10126	100.0
134.06039	0.3
134.10468	5.5
147.10806	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01611	0.4
51.02384	0.9
53.03941	1.6
55.01863	1.1
55.05509	4.7
63.15126	0.4
65.03934	1.3
67.05505	1.8
70.46787	0.5
70.47132	1.4
77.03909	1.2
79.05491	11.8
80.59010	0.3
91.05479	31.3
91.67812	0.3
92.05807	1.0
93.07040	6.4
95.04966	4.2
103.02185	0.3
103.05463	6.7
105.03394	1.1
105.07029	100.0
106.07363	4.1
106.13764	0.4
107.08570	0.9
115.05467	7.4
115.67006	0.4
116.06242	1.2
117.07006	7.7
118.04182	0.9
118.07821	5.9
119.08127	0.5
129.07048	0.7
131.08560	8.8
132.08876	0.5
133.02861	1.3
133.06512	7.8
133.10130	38.3
134.06006	0.9
134.06985	0.9
134.10490	2.3
148.58272	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02386	0.7
53.03943	2.5
55.01870	0.9
55.05513	4.0
61.84085	0.3
64.74841	0.3
65.03939	1.5
67.05511	1.1
70.91745	0.7
70.92122	0.8
77.03932	1.3
78.04718	0.7
79.05492	15.6
90.99857	0.3
91.05480	37.6
92.05807	1.5
92.06303	0.7
93.07039	7.7
95.04974	6.1
103.05469	8.7
104.05685	0.4
105.03393	1.1
105.07030	94.5
106.07348	4.1
107.08617	2.1
115.05453	13.3
116.06281	2.1
117.07019	14.6
118.04161	0.6
118.07812	14.3
119.08125	0.6
129.07002	1.1
131.08571	10.6
133.02893	1.0
133.06525	5.8
133.10129	100.0
134.05988	0.9
134.06915	0.6
134.10471	5.5
142.41466	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02374	0.9
53.03947	2.6
55.01856	1.4
55.05510	3.4
63.21458	0.6
65.03928	1.0
71.10462	1.5
77.03928	1.2
78.04697	1.5
78.29044	0.7
79.05489	15.9
91.05476	35.1
93.07032	6.8
95.04969	6.4
103.05463	10.1
105.03384	2.5
105.07026	100.0
106.06709	1.0
106.07353	4.6
107.08575	1.5
115.05444	10.3
116.06267	1.4
117.07023	11.0
118.04134	2.0
118.07811	8.2
129.07001	0.8
131.08572	9.7
132.90491	1.3
133.02849	2.7
133.06493	15.9
133.10124	59.3
134.03696	0.9
134.05975	1.2
134.06979	1.0
134.10434	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	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92660	1.1
53.03935	2.6
55.05494	4.0
59.12663	1.2
62.36969	1.0
62.58205	0.9
65.03936	2.1
67.05467	1.5
67.57860	1.1
70.62666	2.1
70.63035	2.1
77.03925	1.8
79.05486	17.5
79.19048	1.2
82.50856	1.0
91.05478	38.9
92.05772	1.2
93.07024	8.0
95.04973	5.3
95.37553	1.0
103.05481	8.6
105.04522	1.7
105.07028	100.0
106.07368	3.1
107.08604	2.1
115.05442	12.1
116.06240	2.4
117.07018	18.0
118.07806	15.7
131.08559	12.6
133.06505	7.6
133.10127	97.8
134.10468	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
50.67373	0.2
51.02375	0.4
52.61982	0.2
53.03941	2.2
55.01873	0.3
55.05508	3.9
61.95647	0.2
65.03943	1.2
67.05502	1.1
69.28298	2.0
71.73441	0.2
72.97540	0.2
75.71137	0.2
77.03934	0.8
78.04717	0.4
79.05489	12.8
80.05822	0.4
81.03409	0.3
91.05477	33.2
92.05766	1.2
92.06274	0.6
93.07041	8.2
94.07365	0.3
95.04967	4.4
97.09871	0.2
98.21525	0.4
102.04693	0.2
103.05467	7.5
104.06294	0.2
105.07026	75.1
106.07355	3.3
107.08576	2.2
109.06518	0.2
115.05450	12.9
116.06281	2.2
117.07014	14.6
118.07807	13.2
119.08128	0.7
129.07011	1.1
131.08566	9.1
132.08897	0.4
133.10123	100.0
134.10457	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02356	0.7
53.03936	2.6
55.05511	3.8
65.03932	1.6
67.05492	0.8
69.98854	3.3
76.63469	0.5
77.03919	0.7
79.05493	13.9
88.59557	0.6
91.05479	37.9
92.05801	1.6
92.06288	0.7
93.07043	9.4
95.04962	5.0
103.05467	7.4
105.07027	93.7
106.04696	0.6
106.07344	3.7
107.08574	2.3
107.25060	0.6
112.41829	0.7
112.71221	0.5
115.05457	13.0
116.06223	2.2
117.07019	16.3
118.06531	0.8
118.07800	13.5
129.06981	1.8
129.97032	0.6
131.07588	0.9
131.08572	14.5
132.08913	1.0
133.06488	1.7
133.10127	100.0
134.09610	4.3
134.10484	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	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.7
51.02378	2.1
53.03947	9.3
55.01871	1.3
55.05511	3.4
65.03931	3.8
67.05489	0.9
69.91730	2.1
69.92145	1.2
71.04472	0.5
77.03933	2.6
78.04716	1.1
79.05495	32.9
80.05813	1.1
81.03420	1.7
91.05483	32.4
92.05794	0.9
93.07040	7.9
95.04974	22.4
96.05311	0.7
98.21432	0.6
103.05472	16.1
104.06317	0.6
105.04550	3.9
105.07033	90.0
106.07339	3.1
107.08591	1.6
115.05460	11.5
116.06232	2.9
117.07021	14.3
118.07821	11.4
119.08110	0.8
129.07043	0.9
131.08568	8.9
133.02876	0.7
133.06499	9.4
133.10132	100.0
134.10472	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.0
55.01881	4.4
56.96565	2.1
57.03438	1.0
58.05312	1.5
66.04738	0.9
69.68874	2.6
69.69305	4.1
79.05492	24.0
89.03938	1.1
90.04710	4.5
91.05485	5.3
95.04972	7.8
96.38159	0.8
98.20725	1.1
103.05474	16.8
105.04536	1.9
105.07032	100.0
106.07354	2.3
107.04998	1.2
107.08062	0.8
115.05450	6.2
118.04149	12.2
131.04907	1.8
133.06496	61.8
133.10130	3.6
134.06857	2.1
151.17149	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03942	3.1
55.01866	3.3
55.05498	2.3
58.45461	0.5
66.04720	0.9
66.38748	0.6
67.05489	1.2
71.58173	0.5
77.03934	1.3
78.04725	0.5
79.05489	19.3
80.05843	0.7
81.10985	0.5
89.03946	0.6
90.04700	2.2
91.05476	24.3
92.05778	0.8
93.07048	5.1
95.04964	7.0
103.05459	13.6
105.03407	1.5
105.07026	100.0
106.06667	0.6
106.07339	3.4
106.60919	0.5
107.04941	1.0
107.08553	0.9
115.05445	9.1
116.06251	1.2
117.06996	6.5
118.04159	5.8
118.07790	7.2
131.04901	1.5
131.08580	6.9
133.02875	1.6
133.06488	36.0
133.10123	41.1
134.06894	1.2
134.10460	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03927	3.7
55.01863	4.8
55.05495	1.4
63.47281	1.2
66.04738	1.5
71.01763	3.7
79.05488	20.8
88.47868	1.2
90.04674	2.6
91.04968	1.7
91.05476	13.9
93.07033	2.3
95.04948	7.2
103.05459	14.6
105.03391	1.2
105.07026	100.0
106.06628	1.6
106.07365	4.0
107.04915	1.5
115.05428	7.8
117.06977	3.1
118.04158	7.6
118.07786	3.5
125.73306	1.2
131.04977	1.2
131.08571	4.2
133.06487	51.6
133.10117	20.4
134.06912	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03934	4.4
55.01852	4.8
70.15189	7.3
76.86997	1.9
78.68530	1.7
79.05494	27.1
90.04684	4.0
91.05492	6.8
95.04971	6.1
98.20927	2.4
103.05456	17.8
105.07032	100.0
106.07350	3.9
115.05418	7.7
115.07648	2.0
118.04170	9.0
131.04906	2.4
133.06493	66.7
133.10139	5.5
134.06850	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02382	0.7
53.03935	2.8
55.01870	3.2
55.05493	1.3
60.90653	0.7
65.03929	1.1
66.04717	1.8
67.05539	0.9
68.71379	0.6
79.05488	20.5
79.31632	0.7
80.05827	0.8
89.03900	0.8
90.04712	3.0
91.05476	15.5
93.07069	3.3
95.04958	6.2
98.20738	1.9
103.04428	0.9
103.05469	14.8
105.07027	100.0
106.07346	2.6
107.04957	1.3
115.05456	9.0
117.07028	3.2
118.04152	9.9
118.07811	3.9
131.04939	1.1
131.08568	6.1
133.06488	48.2
133.10121	29.2
134.06868	1.7
134.10468	1.4
145.82062	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
56.96569	3.7
57.03445	1.0
64.06884	0.8
69.07052	2.3
71.36227	1.0
71.36538	0.9
72.93787	1.4
79.00269	0.8
86.09702	100.0
87.10034	2.7
91.05479	0.9
105.07007	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1019
Annotation	beta-Alaninebetaine
Peak:m/z	Relative Intensity
50.64743	3.2
55.01878	4.4
56.05030	7.5
57.03427	9.9
58.06600	95.2
59.07379	54.5
60.08161	12.5
61.26392	3.0
64.13583	3.2
65.02686	5.7
65.03949	3.3
71.24689	6.8
73.02911	43.6
76.87186	3.1
78.03455	3.7
79.05487	9.6
80.05100	3.0
91.05491	23.0
95.04958	7.2
103.05476	4.0
105.04529	9.7
105.07029	44.2
106.04028	4.1
115.05458	6.7
117.05765	6.6
117.88586	3.7
132.04546	6.4
132.05577	19.1
132.06543	5.6
132.09210	6.0
132.10207	100.0
132.90514	19.7
133.05099	6.1
133.06425	17.0
133.07585	14.2
133.10117	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.5
51.02377	1.3
53.03703	0.6
53.03945	8.0
55.01863	0.9
56.05031	0.9
57.03432	1.6
57.04549	0.6
57.42885	0.3
57.74244	0.3
58.02944	0.6
58.05335	0.7
58.06591	0.7
59.06125	0.5
60.04504	0.4
67.05499	0.3
69.42271	0.3
70.88618	0.5
70.88964	0.5
72.04521	0.6
72.08170	0.7
72.93766	0.5
75.05590	1.2
77.03923	2.4
79.05494	1.7
81.03409	0.7
84.04507	0.4
84.05628	0.4
85.04048	0.3
86.06057	0.6
86.09700	0.4
87.04468	0.5
87.05591	0.7
89.68508	0.3
90.90385	1.3
91.05483	2.3
92.05814	0.3
93.07036	0.3
95.04965	18.9
96.04489	3.3
96.05268	0.6
103.05466	1.3
104.04986	100.0
105.03401	4.5
105.04519	3.5
105.05324	2.6
105.07024	7.9
111.73414	0.4
115.05430	0.5
115.08640	0.3
118.07825	0.5
131.04980	0.4
132.04446	99.4
133.02832	0.9
133.04811	3.4
133.06482	3.3
133.10121	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.2
54.74908	2.5
55.01866	5.2
55.05504	6.2
56.05032	3.8
56.96301	3.7
56.96568	69.0
57.03449	12.2
57.04544	3.1
58.02953	3.6
58.05340	3.6
58.06588	4.4
58.35085	2.7
60.95850	2.7
67.05490	2.7
68.05031	2.5
69.03418	5.8
69.07069	3.0
69.29083	2.4
69.96165	6.9
71.56007	4.9
71.94103	6.4
71.95249	7.5
72.04512	6.8
72.08144	3.8
72.93786	4.6
74.06091	3.0
75.05595	11.2
77.00896	6.6
79.05479	10.2
81.03400	4.5
81.07029	5.3
86.06073	3.4
87.05579	3.7
88.51688	7.5
90.94804	3.4
91.05483	8.5
95.01923	4.0
95.04955	7.1
98.97574	21.0
100.01867	3.3
100.02478	32.6
101.00861	9.2
101.02633	2.5
103.02432	3.6
103.05496	2.9
104.04940	4.3
104.05769	3.7
105.04494	2.9
105.07030	23.3
109.52222	5.3
115.05081	2.9
116.98622	43.7
117.52029	3.1
118.01089	3.1
118.03509	36.0
118.52613	2.5
119.01917	100.0
119.03622	4.4
120.02020	11.3
120.03289	5.6
121.01635	6.8
124.02427	3.2
127.03546	14.9
128.01923	19.5
132.05128	30.0
132.06575	4.8
132.08006	2.8
133.03606	3.0
133.06519	5.0
133.10106	6.0
134.99661	84.1
135.03218	2.7
135.99985	2.5
136.04587	4.9
137.02957	89.0
138.03056	11.7
139.02614	3.5
142.03513	41.1
143.03644	4.2
145.03435	7.3
145.04573	14.2
146.02965	5.7
149.97226	13.5
150.00691	3.2
150.06117	37.9
151.06241	3.8
153.00710	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0445
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
50.01590	0.6
51.02382	2.2
52.01929	0.5
53.03699	0.8
53.03941	8.3
55.01868	1.3
56.05026	1.0
56.96552	1.1
57.03432	2.9
57.04539	0.4
58.02955	0.7
58.05341	0.9
58.06585	1.1
59.06107	0.5
59.60686	0.5
67.05479	0.5
68.05044	0.8
69.03410	0.8
69.07081	0.5
69.85025	2.2
69.85438	0.9
72.04510	1.1
72.08150	1.1
72.93780	1.6
75.05595	1.6
77.03921	3.4
79.05496	2.6
81.03411	0.7
84.04520	0.6
85.04026	0.6
86.06086	0.7
86.09713	0.7
87.05581	1.3
90.81083	0.5
90.90372	2.3
90.94830	0.6
91.05480	3.1
92.05825	0.9
95.04966	18.7
96.04489	3.6
96.05083	0.5
96.05359	0.6
98.21443	0.7
103.05442	1.9
104.04986	99.8
105.03417	4.1
105.04511	3.5
105.05332	3.3
105.06392	0.9
105.07029	12.9
115.05466	0.7
117.05763	1.1
118.07827	0.7
131.05005	0.5
131.08571	0.5
132.04446	100.0
133.02869	1.0
133.04819	3.6
133.06499	5.5
133.07518	0.8
133.10136	3.4
144.68193	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0703
Annotation	5-Oxohexanoic acid
Peak:m/z	Relative Intensity
51.02394	1.2
53.03936	5.5
55.01854	4.1
55.05505	6.5
56.01390	1.4
56.05030	8.0
56.96565	86.9
57.03438	28.1
57.05363	1.2
57.07061	4.4
58.02954	2.2
58.03758	1.8
58.06601	6.5
59.04991	1.4
59.06110	2.3
60.04528	3.0
61.02916	6.6
65.03941	9.2
67.05502	100.0
68.00250	1.1
68.05017	3.5
68.05843	2.0
69.03426	20.8
69.07065	6.2
70.03754	6.9
70.06587	2.8
70.07398	1.4
70.25729	1.2
70.85853	1.9
70.86199	2.5
71.01344	1.8
71.04987	10.1
71.06120	1.4
71.92988	1.7
71.95254	1.9
72.04507	3.6
72.06867	1.9
72.08139	5.4
72.93774	4.6
73.02911	11.2
74.00256	1.7
74.06081	2.2
74.97604	3.6
75.04473	1.8
77.00784	4.9
78.62437	1.0
81.01044	1.5
81.03419	5.1
83.00773	6.0
83.02451	1.7
83.04984	12.5
83.06086	4.2
84.01588	1.8
84.04491	3.2
84.08115	2.9
84.96029	2.3
85.02901	14.0
85.04000	1.2
85.04830	4.0
85.06542	24.9
85.07653	2.2
85.08480	8.7
86.01294	2.1
86.06057	6.0
86.09732	2.1
87.04456	10.3
89.00774	2.4
90.01550	5.2
90.90379	3.3
90.94808	2.7
91.05466	13.1
92.01296	4.2
92.98652	1.2
95.00742	1.1
95.04968	30.9
95.06010	1.2
95.08608	3.3
96.01543	2.7
96.04466	1.6
97.00484	1.3
97.02887	9.4
97.96786	1.6
97.99150	1.3
98.01310	7.0
98.04780	2.5
98.97021	1.5
98.97587	14.7
99.02077	2.4
99.04440	2.0
100.61796	1.2
102.04705	1.2
103.05464	94.9
104.01274	3.7
104.04992	2.6
104.05779	5.1
105.02080	2.5
105.04503	1.6
106.01025	1.9
107.01802	2.3
109.02884	2.4
110.01289	3.6
113.06038	7.9
113.07146	2.7
113.07918	24.6
114.05537	2.7
116.00214	2.3
116.06234	3.3
116.98620	22.3
119.01807	3.2
125.96100	3.2
127.03925	2.2
128.02328	3.4
128.98621	5.7
129.07077	1.4
131.02354	1.2
131.03403	2.1
131.04945	6.4
131.05946	1.9
131.06889	6.5
131.08337	1.9
131.08911	1.8
132.04471	1.9
133.98895	1.4
134.99655	22.1
137.02834	2.8
140.00189	1.6
144.07971	1.2
146.99654	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	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.2
51.02375	0.5
53.03709	0.3
53.03943	3.6
53.36848	0.1
55.01861	0.3
56.54722	0.2
56.96572	0.3
57.03428	0.3
58.06583	0.2
69.03436	0.3
69.92900	0.6
69.93307	0.2
70.03741	0.2
72.08163	0.2
77.03905	0.9
81.03406	0.3
84.04510	0.2
85.08477	0.4
86.07062	0.1
87.11459	0.1
88.02225	0.1
88.07638	0.2
91.05470	2.5
95.04961	9.0
96.05296	0.4
98.04838	0.2
102.04691	1.5
103.05460	100.0
104.05788	4.1
105.04504	2.0
113.07922	0.9
115.05469	0.2
116.06233	0.6
129.06956	0.3
131.04924	6.8
131.05981	0.3
131.06888	1.8
131.08478	0.9
132.05257	0.3
142.94823	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
53.03943	3.6
55.01874	0.3
57.03434	0.3
69.85883	0.7
69.86300	0.9
71.04970	0.2
77.03919	0.4
81.03408	0.4
85.08472	1.5
85.49809	0.2
90.90414	0.3
91.05479	10.9
95.04964	7.9
102.04655	1.2
103.05463	100.0
104.05793	4.0
105.04500	1.7
112.95264	0.3
113.07915	0.6
115.05470	1.4
116.06242	3.3
117.05747	0.4
128.06218	0.4
129.07004	1.9
131.04936	7.6
131.05943	0.6
131.06940	0.5
131.08568	5.9
132.04405	0.4
132.05270	0.4
132.08067	0.4
149.93536	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.2
51.02377	0.7
53.03946	3.7
55.01870	0.3
57.03429	0.3
69.03429	0.3
71.02618	0.6
73.02895	0.2
75.92530	0.2
77.03930	0.6
81.03400	0.4
84.04542	0.2
85.04841	0.3
85.08485	1.1
91.05477	8.8
92.05819	0.2
95.04966	8.6
96.05337	0.3
97.72900	0.2
102.04676	1.3
103.05463	100.0
104.05795	4.7
105.04520	1.5
113.07940	0.7
115.05450	1.1
116.06251	2.7
128.06195	0.3
129.06985	1.5
131.04932	8.1
131.06944	0.4
131.08546	4.5
131.75972	0.2
132.05305	0.2
132.08884	0.3
138.38780	0.2
142.41319	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.039
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
53.03941	7.1
55.01868	3.6
57.03417	1.0
59.06119	0.7
60.79552	0.5
61.74274	0.5
66.45420	0.6
67.01855	0.7
68.05043	0.7
69.03423	1.5
69.05363	0.7
69.56988	0.7
70.06586	1.7
70.57399	0.6
70.58076	1.1
71.04986	2.0
72.04502	0.6
81.03415	15.2
81.07044	0.9
82.06569	0.7
97.02911	0.8
99.04433	1.3
109.02876	19.8
109.07584	1.0
110.03259	0.7
111.09197	1.8
126.39896	0.6
127.03912	100.0
128.04253	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	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.2
51.02375	0.7
53.03946	3.7
55.01880	0.2
55.14056	0.2
56.05028	0.2
56.96556	0.6
57.03433	0.4
67.05497	0.4
68.17966	0.2
69.59991	1.5
70.03775	0.4
77.03916	0.8
81.03405	0.5
84.04493	0.2
85.02907	0.2
85.08453	0.6
89.22376	0.2
91.05478	6.1
95.04960	9.0
98.97595	0.2
102.04671	1.4
103.05463	100.0
104.05786	4.2
105.04502	1.8
113.07931	0.9
115.05444	0.5
116.06244	1.6
129.06998	0.7
131.04929	9.1
131.06905	0.8
131.08551	3.3
132.05257	0.3
144.08015	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0392
Annotation	Phloroglucinol
Peak:m/z	Relative Intensity
51.02366	0.5
53.00298	2.1
53.03710	0.7
53.03947	12.8
54.03455	0.7
54.04278	0.6
55.01661	0.5
55.01875	5.4
55.05501	2.0
55.94616	0.9
56.05025	1.0
56.94299	0.9
56.96296	0.9
56.96566	15.6
57.03424	1.9
58.06602	0.6
65.00797	0.5
65.03929	1.4
67.01852	0.9
67.05494	0.7
68.02500	0.5
68.99782	0.6
69.03430	15.9
69.41702	2.3
69.42130	2.1
70.06593	1.2
71.01295	0.4
71.05001	2.8
72.93769	1.0
81.03422	28.8
81.04538	19.0
81.05033	0.7
81.07040	1.2
82.03737	0.5
82.06580	3.1
83.01340	0.9
83.04973	1.9
84.08157	1.0
84.96037	2.5
85.02892	1.5
85.05151	3.8
86.03546	1.1
86.06066	2.8
87.00838	0.5
88.01797	0.7
90.94827	0.6
93.03408	0.9
93.42139	0.5
97.02324	0.9
97.02887	2.1
97.07665	0.7
98.03682	1.3
98.97574	0.6
99.04451	2.3
99.05558	1.0
100.02493	0.5
100.99724	0.7
102.01550	1.4
109.02880	32.2
109.07628	0.8
110.03232	0.8
111.02061	2.9
111.04446	2.1
111.09212	1.0
112.96670	1.0
113.96425	1.2
119.01872	0.5
120.02576	1.5
122.02082	0.9
127.03921	100.0
127.06100	1.9
127.07235	4.6
127.08683	0.8
128.00746	0.5
128.03423	0.8
128.04262	3.3
128.08174	0.6
131.97438	0.7
139.02663	0.6
144.98105	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0391
Annotation	1,2,3-Trihydroxybenzene
Peak:m/z	Relative Intensity
51.02379	0.6
51.52350	0.6
52.03090	0.6
53.00300	1.3
53.03708	1.0
53.03947	14.5
55.01865	6.2
55.05513	3.1
55.51644	0.5
56.05027	0.8
57.03437	3.6
58.06588	1.6
59.06107	1.2
61.76215	0.5
65.03945	0.9
67.01860	1.3
67.05486	2.0
68.05019	1.0
68.99753	0.5
69.03422	2.4
69.07064	2.3
69.36101	3.8
69.36517	1.9
70.06588	1.6
71.04992	5.2
79.05505	1.0
79.88142	0.5
81.03420	28.7
81.07042	2.4
82.06583	3.2
83.06089	1.1
83.08625	0.7
85.06540	1.3
86.06055	1.3
97.02885	1.5
98.03693	0.7
98.20744	1.2
99.04427	2.8
109.02879	35.4
109.06559	0.8
109.07638	1.5
109.10162	1.0
110.03217	0.9
110.06018	0.7
111.09188	3.4
127.03914	100.0
128.03419	1.1
128.04259	3.3
128.06227	1.9
128.07072	0.8
139.97437	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0391
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
53.03706	0.3
53.03941	4.1
54.41632	0.2
55.01867	2.0
67.01853	0.7
68.99767	0.3
69.98335	0.5
69.98727	0.6
71.01349	0.4
71.04984	0.5
81.03413	4.3
82.06588	0.4
97.02889	0.3
98.21487	0.5
106.37157	0.2
109.02874	8.7
109.07645	0.4
110.03228	0.3
127.03909	100.0
128.04233	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	126.0312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	5.3
50.70392	1.2
51.02375	5.7
51.13731	1.3
52.03163	18.4
53.00309	1.8
53.03948	15.2
53.71595	1.4
54.03477	2.1
55.01866	7.1
55.05494	1.7
56.05024	6.5
56.96545	1.5
57.03421	1.8
58.06596	7.6
59.06124	69.9
59.87437	1.4
65.03925	2.4
67.04238	1.5
68.05026	100.0
69.03410	2.4
69.04544	2.0
70.06608	8.9
70.16481	1.4
70.83251	4.2
71.04982	4.1
71.79697	1.4
80.02638	3.5
80.05012	5.6
81.03416	40.3
81.04517	5.2
81.07045	3.1
82.06584	11.5
83.06104	5.8
84.04499	2.5
84.05626	1.4
85.07655	17.7
86.08444	18.6
87.66697	1.3
95.01340	1.5
97.02904	1.8
98.03209	1.7
98.03685	16.1
98.06080	1.7
99.04436	3.3
106.35812	1.3
108.02103	42.0
108.04507	4.2
108.08165	1.7
109.02889	41.2
109.07637	23.1
121.01669	4.0
126.03133	75.3
126.05507	9.7
126.06554	3.4
126.09379	1.2
126.10271	35.6
126.11204	1.8
127.03926	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0598
Annotation	Salicyl alcohol
Peak:m/z	Relative Intensity
51.02377	0.7
53.03170	0.5
53.03945	8.5
55.01870	2.4
55.05501	1.9
57.03447	0.6
59.98828	0.4
65.03925	1.0
66.04708	1.0
67.05499	1.1
68.15174	0.5
69.03417	1.5
69.07059	3.1
69.87077	2.7
77.03922	1.0
79.05490	100.0
80.05019	0.7
80.05835	3.5
81.07053	31.2
82.07391	1.4
83.04487	0.7
83.04984	8.3
91.05489	0.9
95.04964	11.6
97.02908	2.0
97.06530	12.6
98.21432	0.6
102.02251	0.6
105.04530	1.8
107.04947	7.8
107.08601	1.0
117.90833	0.5
120.03271	0.6
125.02399	0.6
125.04408	0.6
125.05990	4.9
125.09649	3.3
126.05493	1.1
131.14255	0.5
131.26967	0.6
134.43468	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0598
Annotation	3-Hydroxybenzyl alcohol
Peak:m/z	Relative Intensity
50.88752	0.4
51.02372	0.9
53.03945	7.5
55.01870	2.7
55.05505	2.7
56.05035	0.5
56.92649	0.4
57.03442	0.5
58.15914	0.3
59.38666	0.4
65.03935	1.4
65.44911	0.4
66.04730	0.8
67.05508	1.9
69.03422	2.3
69.07064	2.9
70.06579	0.6
71.01356	0.9
77.03932	0.5
79.05492	100.0
80.05018	1.0
80.05830	2.6
80.06231	0.6
81.03441	0.7
81.07055	29.6
82.07392	1.0
83.04982	6.2
84.04517	0.8
84.08140	0.5
86.89127	0.4
91.00348	0.4
91.05466	0.9
95.04969	10.8
97.02895	5.3
97.04810	0.5
97.06530	12.9
97.37054	0.4
98.06065	0.6
102.02253	1.2
105.04529	2.1
107.04959	8.4
107.08607	1.2
108.04520	0.5
108.05345	0.4
110.03666	0.6
120.02034	1.8
120.03287	1.6
121.01664	0.8
125.02354	1.9
125.04377	0.9
125.05994	4.7
125.07050	0.8
125.09610	3.4
126.05521	2.0
126.06430	0.4
137.02927	0.7
138.03148	1.5
139.02730	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99844	0.2
60.00657	0.2
70.78711	0.3
82.99812	0.8
90.87340	0.1
100.02462	0.9
101.00872	8.8
101.02535	1.0
102.00974	0.3
102.02231	0.6
118.03521	1.0
119.01916	100.0
120.01989	4.4
120.03294	0.3
121.02346	0.3
137.02950	63.8
138.03044	2.8
139.03401	0.4
142.03487	5.9
142.04607	0.3
143.03679	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03470	0.4
55.49986	0.1
56.05043	1.1
56.70166	0.1
56.96569	2.1
58.19454	0.1
58.99874	0.5
59.94720	0.1
60.00650	0.3
65.50616	0.1
66.03445	0.2
68.05018	0.5
69.03442	0.2
69.04565	0.2
70.06582	0.3
70.99844	0.2
71.01357	0.4
71.02167	0.2
71.02502	0.3
77.00915	0.9
79.05492	0.4
80.05015	1.3
81.04556	0.7
81.05783	0.3
81.07051	0.1
82.06591	0.2
82.42622	0.2
82.99845	0.5
83.06093	1.6
89.00847	0.3
95.01957	0.4
95.04943	0.2
96.04494	2.3
96.05154	0.2
96.08144	0.3
97.02895	3.8
97.07674	1.1
100.02474	0.8
101.00869	7.7
101.02541	0.8
102.00915	0.4
102.02254	0.4
106.06544	0.2
106.97643	0.1
107.06068	1.6
112.03985	0.7
118.03516	0.8
119.01917	100.0
120.01993	5.2
120.03284	0.3
120.95809	0.1
121.02342	0.4
124.02522	0.3
124.03954	2.9
124.04824	0.3
124.05933	0.2
124.07594	1.3
124.08706	2.2
125.02322	0.5
125.07110	0.5
133.03510	0.3
136.04544	0.1
137.02951	68.9
137.98364	0.2
138.03043	3.7
139.03348	0.3
140.03433	0.4
142.03497	6.7
143.03647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.8
52.03146	0.4
53.03941	5.1
54.03467	2.0
55.01858	1.6
55.05505	13.5
56.05031	2.8
57.07071	3.9
65.03931	3.4
66.03459	0.6
67.05500	45.0
68.05022	2.2
68.05838	1.3
69.03430	0.5
69.06764	0.4
69.07063	4.0
70.06579	0.9
70.34135	0.5
71.56666	0.8
77.03926	0.8
78.04735	0.5
79.05486	24.4
80.05014	10.3
80.05820	1.6
80.06281	1.2
81.03420	1.2
81.04542	2.9
81.07050	100.0
82.04887	0.6
82.05324	0.5
82.06578	1.3
82.07367	2.3
83.06094	2.9
84.06886	0.4
91.05459	2.6
93.07034	10.1
94.07827	1.2
95.04959	19.6
95.06084	0.8
95.08600	37.9
96.04490	7.4
96.05258	0.9
96.08157	1.0
96.08968	1.3
97.07638	2.5
100.02485	2.1
103.05458	0.8
105.04530	0.9
105.07034	5.4
106.06697	0.4
106.07352	2.4
107.04990	2.3
107.06088	3.2
108.05738	12.8
108.07645	2.7
108.09358	0.8
112.03955	2.5
118.03538	1.7
119.01934	2.3
121.06525	1.3
121.10178	1.1
123.04468	3.7
123.05577	11.7
123.08088	24.4
123.09122	0.9
123.09972	3.3
123.11691	15.3
123.12573	0.9
124.03954	7.5
124.04952	0.6
124.07585	1.1
124.08703	6.0
124.12022	0.5
137.02956	2.2
140.03450	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73480	0.4
53.03944	2.4
55.05504	5.5
57.07074	3.3
63.62553	0.4
65.03934	1.6
67.05499	17.7
69.07065	2.6
71.18583	0.7
71.18924	0.4
79.05487	17.3
80.05016	1.4
80.05811	0.5
81.07049	100.0
82.07374	2.5
91.05530	0.4
93.07047	1.5
94.07811	0.7
95.04956	2.6
95.08598	9.1
96.04480	1.7
100.02480	1.2
105.07043	0.5
108.09329	0.7
118.03497	0.7
119.01933	0.6
121.10143	0.6
123.05526	2.2
123.08062	1.2
123.11693	8.3
124.03950	1.2
124.12032	0.4
133.68335	0.4
137.02956	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	1.0
53.03942	3.4
54.03453	1.4
55.01851	0.8
55.05507	6.0
56.05031	1.8
57.07080	5.4
65.03941	1.0
67.05504	20.1
68.05020	1.3
69.07059	3.3
70.75539	1.8
79.05491	17.0
80.05011	5.8
81.04531	1.9
81.07054	100.0
82.07373	2.0
93.07043	2.8
95.04961	12.4
95.08604	16.8
96.04504	4.7
97.07647	0.9
100.02476	1.0
105.04469	0.9
105.07033	1.1
107.06059	1.5
108.05780	1.6
108.07678	1.4
112.03969	1.3
112.12703	0.8
118.03479	0.9
119.01904	1.5
121.10122	1.3
123.04434	3.2
123.05543	8.7
123.08075	5.5
123.10045	0.9
123.11695	16.2
124.03968	4.9
124.08706	1.9
134.44615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.87654	1.3
53.03948	6.2
53.39214	1.3
55.05507	14.1
56.05032	1.5
57.07061	5.2
63.90005	1.3
65.03922	3.5
67.05500	52.1
68.05021	1.3
69.03403	1.2
69.07047	3.2
69.94250	6.7
72.17096	1.1
77.03924	1.7
79.05488	31.5
80.05018	13.8
80.05788	1.9
80.06251	2.1
81.03416	3.6
81.04559	2.2
81.07051	100.0
82.07402	1.8
83.06107	2.3
91.05465	2.9
93.07034	9.7
95.04967	22.1
95.08600	52.2
96.04491	8.6
96.05302	1.6
96.08095	1.5
97.07620	1.4
100.02468	9.8
103.05449	1.6
105.04539	1.7
105.07037	11.8
106.02937	1.9
107.04953	5.1
107.06071	2.8
108.05736	36.1
108.07681	1.9
108.09350	1.3
109.02865	7.6
112.03962	3.6
118.03522	7.0
119.01938	5.8
121.06495	4.9
121.10140	2.9
123.04477	3.5
123.05560	16.5
123.08072	62.0
123.09944	2.8
123.11710	16.1
123.85065	1.4
124.03947	11.5
124.08624	4.5
124.11957	1.4
137.02950	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	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
52.05869	0.6
53.03946	7.4
54.03470	2.4
55.01864	1.8
55.05504	18.4
56.05035	4.0
57.07069	4.6
58.06586	0.7
65.03932	4.2
67.05499	67.7
68.05023	4.3
68.05822	1.8
69.03433	1.8
69.04527	1.2
69.07066	3.3
70.06567	1.7
71.56769	1.3
77.03915	1.1
78.03453	1.1
79.05485	25.9
80.05012	14.7
80.05825	1.3
80.06272	2.1
81.03407	1.6
81.04546	4.4
81.07048	100.0
82.04856	0.7
82.05306	0.8
82.06576	1.3
82.07378	2.8
82.07781	0.5
83.06085	4.8
89.09029	0.5
91.05458	3.7
93.07039	13.5
94.07836	1.2
95.04962	20.9
95.06077	1.6
95.08598	56.1
96.04489	10.5
96.05238	1.1
96.08157	1.2
96.08932	2.1
97.07663	3.3
100.02490	3.7
103.05491	1.3
104.05777	0.6
105.03423	0.5
105.04513	1.5
105.07019	6.9
106.06706	0.7
106.07350	3.1
107.04952	3.2
107.06055	5.1
108.05731	15.6
108.07659	4.4
108.09352	0.8
112.03951	3.3
118.03508	3.4
119.01893	4.5
121.06485	2.9
121.10141	1.7
123.04445	3.8
123.05553	16.4
123.08075	33.9
123.09969	3.8
123.11689	16.4
124.03949	9.5
124.07616	1.2
124.08707	9.0
124.12029	0.9
135.05684	0.6
137.02953	3.2
140.03424	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02363	1.0
53.03948	7.7
54.03481	0.8
55.01864	1.7
55.05510	12.9
56.05025	2.3
57.07071	4.5
61.72309	0.5
65.03956	3.5
66.04724	1.1
67.05505	45.4
68.05020	1.8
68.05816	0.7
69.03425	1.6
69.07067	4.0
69.31631	2.5
69.32059	3.8
70.06577	0.8
77.03915	0.8
78.03470	0.7
79.05490	30.2
80.05022	13.5
80.05810	1.3
80.06282	1.7
81.03419	1.3
81.04552	2.8
81.07056	100.0
82.01464	0.9
82.02915	0.7
82.07392	2.3
83.06105	2.2
88.00362	0.6
91.05480	2.9
93.07047	10.1
94.07835	0.9
95.01324	0.8
95.04967	20.5
95.06067	1.6
95.08604	43.3
96.04495	12.5
96.05209	0.9
96.08145	0.7
96.08939	1.8
97.07639	2.7
100.02481	8.4
103.05459	1.8
104.61973	0.5
105.04514	1.4
105.07031	9.7
105.07680	1.0
106.07385	1.0
107.04966	6.6
107.06082	2.7
108.05740	33.3
108.07669	1.4
108.09393	0.7
109.06078	1.8
112.03970	4.0
118.03518	9.4
119.01930	3.8
121.06498	4.3
121.10153	1.0
123.04465	3.1
123.05559	17.9
123.08081	62.0
123.09992	1.5
123.11697	18.1
124.03951	13.5
124.04839	1.1
124.05939	0.8
124.07627	1.4
124.08658	5.3
137.02951	3.4
140.03441	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02385	1.6
53.03947	13.1
54.03469	5.7
55.01874	3.8
55.05510	21.9
56.05034	8.7
57.07072	3.5
58.06597	1.0
60.17125	1.1
65.03926	7.2
66.03467	1.6
67.05505	91.3
68.05023	6.0
68.05833	2.6
68.99812	0.9
69.03420	1.4
69.04570	1.9
69.07075	3.1
70.06612	2.8
71.57353	1.3
78.03456	1.9
79.05495	36.6
80.05017	51.4
80.05799	2.0
80.06293	2.8
81.03419	8.3
81.04544	9.0
81.05363	2.5
81.07057	100.0
82.01445	1.3
82.04888	1.2
82.05334	2.1
82.06593	2.1
82.07415	2.4
83.04984	1.2
83.05672	2.0
83.06099	8.9
85.14536	1.0
91.05463	4.8
93.07047	18.7
95.01373	1.0
95.04968	89.3
95.06118	3.6
95.08605	61.9
96.04491	39.5
96.05256	2.1
96.08160	3.0
96.08932	1.6
97.07668	7.9
100.02480	20.6
101.00926	1.3
101.02596	1.2
103.05529	1.8
105.03415	2.4
105.04528	3.5
105.07027	10.2
106.02938	2.1
106.07388	3.5
107.04976	3.6
107.06087	11.7
108.05745	18.3
108.06989	1.6
108.07702	6.2
112.03957	9.6
118.03522	26.2
118.04300	2.0
119.01917	20.1
119.02697	1.4
119.03629	1.3
121.06547	1.9
123.04498	11.3
123.05557	65.8
123.06651	2.1
123.08108	76.4
123.09165	3.6
123.09884	6.2
123.11692	15.1
124.03959	40.5
124.05923	2.1
124.07630	3.0
124.08709	21.6
124.09552	1.8
125.07115	1.4
129.75040	1.3
137.02953	17.1
140.03459	4.4
141.05115	3.0
142.03566	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.1
53.03944	4.2
53.09980	0.6
54.04266	0.6
54.56396	0.5
55.01859	2.2
55.05497	1.3
56.96566	3.8
57.03437	5.3
58.99851	3.6
60.48783	0.5
61.02904	1.7
65.03929	1.0
66.21102	0.6
67.05507	6.8
68.01420	0.6
68.02628	2.0
69.03448	3.0
70.93565	1.9
70.99851	1.4
73.02915	1.8
75.04482	0.6
77.00915	6.3
77.03900	0.5
77.52277	0.5
78.03438	1.1
78.52947	0.7
79.05485	4.6
79.51934	0.7
80.04577	0.9
80.05018	16.1
81.03416	4.3
81.07058	6.0
82.01429	4.4
85.02894	1.4
86.01323	0.6
86.01948	0.6
88.02707	0.8
93.07037	0.9
95.01383	1.0
95.01941	3.8
95.04368	1.4
95.04970	22.1
95.08587	2.0
96.04494	10.7
97.02924	0.6
98.52682	0.7
98.97557	1.5
100.02480	51.6
101.00259	1.1
101.00876	9.7
101.02560	3.0
102.02373	1.3
105.03370	0.7
105.04515	1.4
106.02894	0.8
109.02900	1.2
111.02910	0.8
112.03954	2.6
113.16428	0.6
115.02419	1.0
116.98618	2.3
118.01150	7.0
118.03522	56.6
119.01920	100.0
119.03602	5.0
120.02039	0.9
121.01576	1.0
121.02392	0.7
121.03456	0.7
123.04408	3.4
123.05540	20.1
123.08110	2.7
123.09015	0.6
123.11686	0.7
124.02480	0.8
124.03955	13.9
124.07586	0.7
124.08688	0.6
131.01907	5.2
133.03435	1.6
134.99643	1.7
136.02151	2.1
136.04521	2.8
137.02954	57.6
140.03354	1.0
141.02711	1.9
141.05107	3.1
142.03500	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02374	3.4
53.03707	1.4
53.03943	18.3
54.03468	6.7
55.01872	6.0
55.05511	3.4
56.96565	1.0
58.02959	0.8
65.03937	15.8
67.05490	2.6
68.05044	0.7
70.06590	1.6
71.42391	1.5
77.03922	4.3
78.04710	1.8
79.05490	58.7
80.05016	1.3
80.05820	1.7
81.03394	2.3
81.04539	10.1
81.07040	1.4
82.05316	9.8
91.05479	57.2
92.05804	3.0
93.03446	0.9
93.07041	46.9
94.06557	2.2
94.07372	1.5
95.04964	45.0
95.06076	4.3
103.05463	31.1
104.05693	1.0
104.06315	1.3
105.03387	1.1
105.04517	9.0
105.07026	100.0
106.06607	1.8
106.07920	5.0
107.04953	26.8
107.07335	14.3
111.04440	4.7
119.08580	13.0
119.10145	0.7
120.05619	0.9
121.02863	9.7
121.03971	3.7
121.06504	39.4
121.10136	35.0
122.03245	0.9
122.06116	2.4
122.07159	50.2
122.09650	14.0
122.10439	1.5
123.08062	10.3
133.07596	5.0
138.06818	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02373	1.8
53.03944	11.6
55.01870	1.1
55.05513	17.9
65.03944	0.9
67.05506	9.5
70.05074	2.6
77.03931	3.2
79.05493	73.8
80.05827	1.8
80.06258	1.7
81.03410	1.1
81.07061	2.6
91.05483	35.6
92.05793	1.3
93.07043	100.0
94.07385	3.4
95.04966	22.9
98.20818	0.7
98.65610	0.6
103.05451	8.4
105.04518	5.1
105.07028	23.2
106.07801	2.6
107.49052	0.6
119.08594	4.0
121.06495	4.2
121.10144	18.0
122.10460	1.4
122.95284	0.7
123.08070	2.7
124.64909	0.7
133.07654	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.01599	0.4
51.02386	0.8
53.03943	7.2
54.03466	1.1
55.01877	1.0
55.05515	1.0
56.69360	0.3
62.85054	0.3
65.03939	3.9
67.05479	0.8
71.57268	0.6
75.09233	0.3
77.03925	1.8
78.04707	1.1
79.05491	48.2
80.05032	0.3
80.05826	1.0
80.06269	0.4
81.03417	1.1
81.04536	2.5
81.07053	0.8
82.05318	1.2
91.05476	19.8
92.05783	0.6
93.07044	19.1
94.07362	0.7
95.04965	19.8
95.06014	0.8
96.05309	0.8
97.34523	0.4
103.05463	23.7
104.05730	0.6
104.06340	0.6
105.04559	3.6
105.07027	100.0
106.07251	1.1
106.07899	5.8
107.04953	24.9
107.07315	2.9
111.04443	1.6
117.07003	0.4
119.08577	14.8
120.05607	0.5
120.08920	0.6
121.02876	2.2
121.03976	0.9
121.06505	12.2
121.10139	38.7
122.07201	12.0
122.09650	2.6
122.10470	1.4
123.08064	13.0
133.07597	4.6
138.06767	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01581	0.8
51.02380	1.6
53.03949	11.5
55.01862	2.4
55.05513	18.0
57.66479	0.7
61.98683	0.7
64.90514	0.8
65.03931	1.6
67.05510	8.3
68.70844	0.7
70.04296	4.0
72.56911	0.7
77.03931	2.0
79.05495	75.4
80.05825	3.1
80.06268	1.3
81.03426	1.4
81.07050	3.3
90.18333	0.7
91.05483	35.9
92.05823	0.9
93.07045	100.0
94.07374	3.6
95.04975	24.5
96.05296	0.8
103.05473	8.9
105.04526	4.1
105.07037	23.9
106.07845	1.8
107.07374	0.9
119.08583	4.0
121.06513	6.1
121.10145	16.7
122.09630	1.8
123.08060	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01596	0.6
51.02378	1.3
53.03948	11.2
54.03467	1.4
55.01872	1.3
55.05510	17.4
56.96563	1.6
61.86057	0.5
65.03941	5.2
66.04711	1.0
67.05505	8.8
70.83212	1.8
77.03942	1.7
78.04723	0.6
79.05492	77.5
80.05018	0.8
80.05825	2.6
80.06287	1.4
81.03410	1.7
81.04547	2.3
81.07066	2.3
82.05312	1.5
86.48421	0.5
91.05482	37.4
92.05820	1.3
93.03411	0.7
93.07043	100.0
94.04217	0.7
94.06572	1.5
94.07379	3.3
95.04967	24.6
103.05455	10.9
105.04501	4.3
105.07030	37.0
105.25175	0.5
106.06590	1.3
106.07864	4.3
107.04957	1.0
107.07337	16.4
111.04443	1.4
112.03977	1.3
119.08581	6.1
121.02906	3.2
121.04006	1.8
121.04801	0.7
121.06528	5.9
121.10141	20.6
121.11029	1.1
122.06057	2.9
122.07152	7.9
122.09674	16.1
122.10458	1.1
123.08064	3.1
133.07607	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71787	1.0
52.01899	2.5
53.03940	4.0
54.03476	1.1
56.05017	1.8
56.69379	1.0
56.96562	2.1
58.66988	1.0
60.04533	5.5
60.06454	0.9
65.03942	26.0
66.03452	2.9
67.05486	1.3
68.93521	1.0
70.76408	1.2
70.76737	2.1
72.04512	1.9
74.06081	1.4
78.93117	5.8
79.02975	4.1
79.05495	7.2
80.05013	1.6
81.05769	1.4
91.05483	15.3
92.04998	18.1
92.05809	12.2
93.03429	1.3
93.04517	5.4
93.05341	1.2
93.07037	12.4
94.06563	1.5
95.04952	9.1
96.94147	3.2
103.05458	7.5
105.04576	1.1
105.07028	5.5
110.06052	1.7
111.04453	3.2
114.95151	1.1
119.08598	1.6
120.04476	11.7
120.05582	26.7
120.08102	100.0
121.02889	9.0
121.03942	6.5
121.06538	7.1
121.07618	2.5
121.08439	3.7
121.10143	2.5
125.79794	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	3.7
52.01906	1.8
53.03731	2.0
53.03947	18.8
55.01865	4.7
55.05516	3.2
56.05041	1.9
57.07071	2.2
58.07403	3.1
60.04511	2.1
65.03942	44.4
66.03449	1.8
66.04265	4.4
67.05495	4.9
70.88622	3.9
70.88973	2.8
73.84173	1.8
74.06082	3.7
77.03931	2.3
78.04714	2.1
78.93117	3.5
79.02973	3.5
79.05490	44.7
79.90047	1.5
80.05038	2.1
89.86013	1.5
91.05480	65.0
92.05006	23.0
92.05815	34.2
93.04522	7.5
93.07040	59.6
94.06553	2.4
95.04964	40.6
96.94168	1.9
103.05464	100.0
104.05814	4.6
105.04520	9.3
105.06409	3.1
105.07047	52.7
106.06583	3.2
106.07835	3.3
110.06044	2.2
110.08846	2.0
111.04441	7.2
118.06618	2.4
118.07392	7.0
119.08613	8.1
120.04491	17.6
120.05593	33.2
120.08110	78.4
120.08917	14.4
121.02876	17.2
121.03983	10.4
121.06508	40.7
121.07615	3.3
121.08443	2.8
121.10144	25.2
123.08083	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	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.5
53.03939	2.9
58.74788	0.4
65.03935	5.7
67.05527	0.4
69.33604	2.4
69.34032	1.9
78.04694	1.2
78.09283	0.4
79.05051	0.8
79.05488	7.6
84.18101	0.5
91.05476	100.0
92.05009	1.1
92.05799	2.7
92.39547	0.4
93.07037	5.6
95.02166	0.4
95.04967	6.9
96.05320	1.2
102.04681	0.5
103.05457	13.7
104.05612	0.8
104.06253	10.9
105.04475	0.8
109.06512	1.5
112.81969	0.4
112.97108	0.4
115.05442	7.9
115.06184	0.7
117.07013	33.1
118.07347	1.2
119.06073	1.6
119.08573	64.1
120.04453	0.4
120.05624	0.4
120.08197	0.4
120.08875	2.1
121.06490	1.2
131.06044	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02377	0.5
52.80669	0.4
53.03948	3.9
54.04264	0.8
65.03939	6.7
67.05508	0.6
69.39748	2.4
69.40173	1.6
77.03927	0.9
78.04716	2.1
79.05496	8.6
91.05479	100.0
92.05016	0.8
92.05801	2.3
93.07047	5.0
95.04969	6.9
96.05288	1.7
102.04704	0.7
103.05464	11.8
104.06253	15.0
105.04513	1.4
109.06541	1.1
115.05458	6.9
117.07016	22.8
118.07329	0.7
119.04956	1.2
119.08577	69.3
120.04471	0.8
120.05511	0.6
120.08890	2.2
121.06477	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03934	2.3
53.52431	1.4
65.03931	4.8
70.14455	5.4
79.05493	6.4
91.05479	100.0
92.05820	3.3
93.07037	6.3
95.04965	7.0
103.05477	16.9
104.06246	13.3
107.51575	1.5
109.06506	1.8
115.05445	6.1
117.07011	35.8
119.05024	1.9
119.06031	1.9
119.08574	65.8
120.08913	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03941	4.0
59.06105	3.6
63.02379	0.8
65.03934	7.9
69.96795	1.7
69.97213	2.4
73.07508	0.8
78.04696	2.2
79.05497	7.7
91.05474	100.0
92.04987	1.5
92.05795	1.5
93.07053	6.7
95.04965	7.0
96.05321	1.1
99.06261	0.7
103.05458	14.6
104.06248	12.2
104.20290	0.7
105.04494	0.9
109.06502	1.4
115.05462	6.2
117.07013	20.0
119.04980	1.1
119.06113	1.3
119.08572	62.5
120.08127	1.7
120.08913	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.00289	0.6
53.03935	0.9
55.01868	0.9
55.05506	1.5
56.05043	1.0
56.96565	22.1
57.03420	1.5
58.06596	1.2
58.96166	0.6
59.04982	0.9
59.06124	7.5
60.04526	3.5
60.05302	0.5
60.95857	1.2
61.02914	1.5
62.06087	1.2
62.53736	0.6
65.03609	1.0
65.03940	18.5
67.05499	1.3
68.99766	0.5
69.03429	1.6
69.66920	3.4
71.01389	0.7
71.95245	0.7
72.04528	0.8
73.02911	1.5
74.06076	2.8
74.97569	0.4
77.00840	0.8
77.93388	0.5
78.52940	0.5
78.93119	1.2
78.95278	0.6
79.05488	1.0
81.03408	0.9
83.04983	1.3
83.21920	0.5
85.02926	1.2
87.05577	1.5
90.01528	0.7
91.05478	100.0
92.01297	0.8
92.02509	0.8
92.05002	1.9
92.05814	3.1
93.07036	1.1
95.01316	0.8
95.04984	1.2
96.01554	0.8
96.04502	0.8
96.94185	0.6
98.01300	0.7
98.21513	0.6
98.97582	2.3
100.02484	2.5
100.69949	0.5
101.00875	0.8
102.09180	1.0
103.02425	1.1
103.05460	2.3
104.06274	1.0
109.06464	0.8
110.01281	0.9
111.04413	0.9
116.05763	0.6
116.98620	2.0
117.07021	1.3
118.03505	1.8
119.01918	9.9
119.03574	2.3
119.04944	12.7
119.06052	3.0
119.06814	0.8
119.08621	2.9
120.01992	0.6
120.04487	1.6
120.05563	2.0
120.08102	1.9
121.03441	0.9
128.98599	0.7
133.03445	0.7
134.99666	2.2
137.02950	8.4
138.03070	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.02371	0.5
53.03935	0.9
56.96564	0.5
59.06123	12.2
60.04521	3.3
61.02913	0.7
65.03941	21.9
66.04236	0.5
70.81921	1.0
74.06082	0.9
79.02988	0.5
79.05496	1.5
87.05578	2.5
91.05479	100.0
92.05000	2.7
92.05829	2.9
93.07058	0.9
95.04955	1.3
96.05325	0.8
96.94176	0.7
103.05466	2.2
104.06255	1.3
104.74675	0.4
109.06519	1.1
110.06027	0.4
117.07001	2.8
119.04952	15.0
119.06049	3.0
119.06876	1.1
119.08598	8.1
120.04460	1.8
120.05596	3.7
120.08118	1.9
120.17606	0.5
135.43176	0.4
138.84766	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	7.2
55.64851	2.1
56.96567	20.0
58.36960	2.3
58.99852	4.1
59.06110	7.8
60.04503	2.2
62.22534	2.0
65.03931	7.0
65.31313	2.4
67.05500	21.6
69.03423	9.1
71.56738	3.4
72.23776	1.9
77.00891	4.4
78.52961	2.7
79.05463	5.8
80.02943	3.7
80.06261	7.9
81.03402	2.4
82.01409	2.8
87.05530	2.1
87.53458	2.3
91.05483	33.1
91.53748	2.0
93.07043	9.6
95.04935	5.3
98.97588	4.6
100.02474	16.6
101.00891	8.6
101.02564	3.2
102.02232	2.6
103.02431	21.9
104.02541	3.8
105.02197	2.4
107.05259	9.3
111.04439	7.3
116.05780	12.8
116.98615	5.6
117.05699	2.9
118.01151	3.4
118.03516	14.2
119.01919	100.0
120.02026	4.9
121.03504	26.2
122.03548	2.4
129.04015	7.5
132.05013	2.0
133.03462	2.6
134.99666	5.3
136.02190	3.6
137.02960	65.0
137.04015	3.6
138.03026	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	118.0865
Annotation	Betaine
Peak:m/z	Relative Intensity
51.02368	0.3
53.03942	1.7
55.58829	0.3
58.06597	64.3
59.06123	1.9
59.07379	56.4
60.05727	0.3
60.07712	0.7
65.03933	0.5
71.01618	0.6
72.08160	0.5
87.05563	0.7
91.05477	4.6
92.04946	0.3
95.04967	4.4
96.04494	0.7
105.04530	0.9
117.07013	0.4
118.06606	2.3
118.08649	100.0
119.04951	0.3
119.06087	0.6
119.08981	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	3H-Indole
Peak:m/z	Relative Intensity
50.01595	1.5
51.02383	4.8
53.03945	34.1
55.01859	2.0
57.07071	6.7
58.05295	0.7
58.06593	5.0
59.06124	8.5
59.07371	3.7
59.93102	3.0
60.04499	1.0
61.22395	0.7
65.03944	8.3
67.05475	0.8
71.57710	1.4
72.08144	2.9
74.06067	0.8
74.29097	0.8
76.93370	15.9
77.03926	7.4
78.04697	0.8
79.05488	4.5
81.03402	2.9
87.05606	1.0
91.05477	100.0
92.05805	1.3
93.07027	2.1
94.94393	8.1
95.04962	89.3
96.05291	2.2
103.05463	7.1
104.06252	6.1
105.04514	16.4
109.06520	1.0
112.95447	2.7
115.05447	3.1
116.05805	2.2
117.05750	2.0
117.07016	14.7
117.96027	1.8
118.06541	58.5
118.07263	2.2
118.08646	4.9
118.96789	1.2
119.04957	4.3
119.06031	1.9
119.06845	1.8
119.08576	32.0
128.63020	0.8
135.97038	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	3H-Indole
Peak:m/z	Relative Intensity
50.01590	1.3
51.02377	6.7
52.45448	1.1
53.03946	41.4
53.52126	1.0
54.71871	0.8
55.01871	2.0
56.96564	1.0
58.06599	8.0
59.06115	1.7
59.07375	7.8
59.93095	1.6
63.57698	0.9
65.03944	6.5
69.72038	6.7
72.08141	1.6
76.93368	16.5
77.03935	8.2
77.93374	1.0
79.05480	1.9
80.71255	1.0
81.03414	3.7
91.05478	67.6
91.38254	1.0
93.07041	1.8
94.94397	6.6
95.04964	100.0
96.05316	2.3
97.25077	0.9
98.21397	1.6
103.05459	4.4
104.06234	4.1
105.04516	21.1
109.06532	1.2
112.95470	1.7
115.05447	2.9
116.05814	2.4
117.05723	1.4
117.07015	11.6
117.96011	2.5
118.06544	50.6
118.07291	2.6
118.08636	12.9
118.96803	1.2
119.04939	3.1
119.06113	2.1
119.06879	1.9
119.08569	20.0
135.97034	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
50.01590	2.2
51.02383	9.3
53.03945	44.4
54.04286	1.0
55.01861	2.4
58.06600	1.9
58.76663	0.8
59.07370	2.3
62.58546	0.8
69.35012	7.9
77.03926	9.8
81.03403	4.4
82.34804	0.7
91.05474	2.8
95.04966	100.0
96.05297	3.1
98.20695	1.5
105.04518	20.1
106.04850	1.0
110.06182	0.9
118.06541	44.6
118.08680	2.7
119.06873	1.6
119.08583	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
50.01595	2.7
51.02381	8.8
53.03946	44.4
55.01859	2.5
58.06601	2.5
59.07373	1.1
65.12086	0.8
68.71910	0.7
69.31608	6.5
69.32027	1.8
74.87285	0.7
77.03925	9.0
79.10389	0.8
81.03409	5.7
91.05441	3.7
95.04964	100.0
96.05281	1.2
105.04510	21.5
111.21941	0.7
118.06538	52.7
118.08642	2.6
119.06889	1.7
127.61832	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	1.8
50.53048	0.9
51.02385	8.1
51.80556	0.9
53.03947	47.6
54.04272	1.2
55.01863	1.9
56.97745	0.9
59.07377	1.8
69.13789	0.8
70.84563	2.6
77.03925	9.2
81.03418	4.3
91.05469	2.5
95.04969	100.0
96.05326	1.6
105.04521	19.1
118.06542	50.5
118.08693	2.7
119.06842	2.8
119.08576	2.2
133.54633	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	3H-Indole
Peak:m/z	Relative Intensity
51.02376	8.4
53.03943	43.6
58.06599	43.8
59.07382	35.1
65.03934	2.3
68.04754	1.5
69.26488	1.6
69.50150	3.0
69.50555	11.4
72.08152	3.6
76.93364	8.1
77.03927	6.6
79.05486	4.2
81.03406	6.0
91.05479	80.9
93.07028	3.0
94.94415	4.3
95.04965	100.0
96.04502	2.7
96.05315	3.0
103.05478	4.6
104.06226	3.0
105.04520	20.6
109.06496	1.7
115.05385	3.6
117.06999	12.6
118.06548	44.9
118.07285	1.9
118.08649	58.5
119.04919	2.3
119.06110	2.9
119.06881	1.8
119.08568	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
55.01864	1.8
55.05490	1.1
57.03422	1.0
59.04993	6.3
65.03943	2.2
69.03424	3.9
69.07063	2.9
70.02974	0.9
70.06587	4.4
70.07382	1.0
71.57899	1.2
72.04510	0.9
73.02904	2.2
74.93819	4.1
79.64542	1.2
80.05854	1.1
83.01399	0.9
87.04466	5.4
88.07554	0.9
89.03903	6.8
92.94861	1.6
98.06045	1.2
101.34923	0.9
110.95905	1.0
115.03964	15.1
115.05450	100.0
115.09521	4.1
115.96452	1.2
116.06285	18.7
116.07044	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
54.03456	0.7
55.01866	2.7
55.05509	2.7
56.03773	1.2
56.05031	7.2
56.96556	1.1
57.03422	1.6
57.04557	1.5
57.93561	2.8
58.02962	1.3
58.06581	1.1
59.03737	2.1
59.05000	7.7
59.06118	1.8
60.04514	1.5
63.02378	1.2
65.03936	5.7
68.05009	1.2
69.03430	5.4
69.04549	1.5
69.07063	4.8
70.06600	9.8
71.56449	0.8
71.56837	0.7
72.04508	0.8
72.08143	2.1
72.93785	9.9
73.02907	1.4
73.06555	1.5
73.07684	7.1
73.93839	7.8
74.04835	0.8
74.06075	2.9
74.93832	21.0
75.05169	1.0
75.05582	1.1
79.05492	1.0
82.05318	1.2
85.02892	0.7
85.04012	1.2
86.06063	0.9
86.51611	0.8
87.00819	1.0
87.04460	4.1
87.05592	0.8
88.07593	0.8
89.03918	14.3
90.04228	0.9
90.94801	3.0
91.94872	1.9
92.94865	9.4
97.02893	2.1
97.06552	2.1
97.07632	1.4
98.06060	3.8
98.19052	0.7
108.95877	1.6
109.95889	0.9
110.95892	2.0
115.04022	9.3
115.05457	100.0
115.08691	2.7
115.09502	2.5
115.96439	2.0
116.05771	3.6
116.07057	1.3
116.08244	0.9
116.97193	1.0
133.97469	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.9
55.05497	2.2
56.03777	1.1
56.05032	6.5
57.03423	1.6
57.04544	0.9
59.04996	4.1
60.04527	1.1
63.02369	2.0
65.03941	5.6
68.42882	0.8
69.03433	5.6
69.07068	4.3
70.06595	6.3
70.07384	0.9
72.93790	4.3
73.02896	1.2
73.04733	0.7
73.06551	1.4
73.07674	5.2
73.93820	3.1
74.06078	1.0
74.93832	7.0
80.05804	1.4
80.90903	0.8
85.02901	1.9
87.04478	3.9
89.03919	12.3
90.94811	1.5
91.94859	1.2
92.94840	3.5
97.02879	2.4
97.06544	1.6
97.07678	1.0
98.06049	2.1
101.23859	0.8
101.77266	0.8
110.95927	1.7
115.03925	8.1
115.05454	100.0
115.08736	1.4
115.09505	3.6
115.96447	1.0
116.05802	3.4
116.06999	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01869	2.7
55.05499	1.5
56.05040	4.3
57.04552	1.4
57.93565	2.1
58.02947	1.1
59.03736	1.7
59.04988	3.2
59.06120	1.3
63.02374	2.1
63.89981	0.7
65.03946	7.0
69.03417	2.8
69.07054	3.3
69.61562	5.4
70.06608	5.6
72.08152	1.9
72.93789	6.1
72.94435	0.8
73.02914	1.6
73.07675	4.9
73.93846	4.3
74.06051	1.5
74.93837	8.8
75.05564	0.8
77.64874	0.8
87.04463	2.8
89.03917	15.9
89.55222	0.9
90.94836	1.3
91.94872	2.1
92.94860	3.1
97.02876	1.6
97.06545	1.3
97.07654	1.6
98.06064	2.0
115.03933	3.6
115.05457	100.0
115.08682	1.3
115.09487	1.6
116.05828	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	1149.067
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03417	8.5
103.93031	1.1
109.02909	3.5
127.03978	1.3
153.01895	4.4
163.04018	1.7
165.01936	1.9
167.03430	1.4
175.04010	1.9
185.03186	1.3
187.03923	1.3
191.03384	1.9
193.01477	4.8
201.02051	1.7
203.03452	2.0
215.03554	1.4
217.01346	1.9
219.03056	2.0
221.00844	7.7
229.01392	1.3
231.02890	8.2
232.03023	1.5
235.02487	2.4
237.02980	1.3
245.05223	1.8
247.02437	4.1
257.00925	2.9
259.02368	10.2
271.03009	1.1
275.01779	5.3
276.02615	2.3
277.03433	28.9
277.51611	1.3
278.03983	2.8
285.00348	2.5
303.01324	25.7
304.01886	3.5
335.02493	2.0
337.02249	3.8
376.98230	1.2
379.01743	3.2
381.01819	2.2
394.99420	3.0
691.11951	1.1
783.06927	4.5
784.07452	1.7
798.84351	1.2
805.02917	2.9
941.08960	1.4
969.09167	1.2
979.04382	43.3
980.05505	2.5
1149.06604	100.0
1150.07129	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	1146.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01851	0.4
81.03414	22.0
83.01305	0.9
85.02885	2.1
91.05441	0.7
93.03401	0.5
94.58820	0.4
95.01312	3.0
97.02859	1.7
99.00809	0.6
99.04443	0.8
103.05450	0.6
109.02868	12.9
111.00793	1.9
111.04488	0.6
113.02351	0.8
119.01262	0.6
119.04914	0.6
121.02885	0.6
123.00768	0.5
125.02312	1.1
127.03905	3.0
129.03371	0.6
131.04915	0.6
137.02341	3.7
139.00218	0.8
139.03877	1.5
141.01820	5.1
143.03441	0.4
145.02837	0.6
147.04398	1.2
149.02327	0.5
151.03886	0.5
153.01794	2.1
155.03349	0.5
157.02876	0.9
159.04424	0.4
163.03851	1.3
165.01816	7.3
167.03392	3.9
169.01317	1.2
173.02318	1.2
175.03844	1.9
177.01811	1.4
179.03311	0.5
181.01294	0.5
183.02921	4.1
185.02328	1.5
185.04279	0.4
187.03873	3.6
191.03349	2.3
193.01314	11.1
195.02878	1.7
201.01820	2.3
201.03835	0.8
203.03406	3.7
205.01303	0.5
205.04947	0.5
207.02899	0.8
209.00938	0.6
211.02327	2.2
213.01932	2.7
213.03738	0.7
215.03334	3.3
217.01317	1.7
219.02898	3.2
221.00800	35.2
225.50974	0.4
229.01279	2.0
229.03461	1.5
230.02052	0.8
231.02866	17.7
233.04434	0.6
235.02393	0.7
239.01849	27.7
241.01260	3.4
242.01874	0.4
245.00836	0.9
247.02374	6.8
255.02879	0.5
257.00772	3.9
259.02359	34.1
260.02658	0.5
261.04025	0.5
263.01807	1.4
269.04486	0.6
271.02374	0.6
273.00342	1.0
273.03699	0.4
275.01859	9.8
276.02597	3.1
277.03409	100.0
278.03711	1.6
285.00314	3.9
287.01849	1.1
289.03467	0.8
297.03949	0.5
299.02115	0.5
301.03354	0.6
302.00525	0.7
303.01328	53.7
304.01593	0.9
305.02902	1.3
309.02567	0.4
311.08163	0.4
313.03317	0.7
315.01309	0.8
317.02747	0.6
319.00732	0.6
321.02411	4.9
331.00894	0.9
331.04672	0.6
333.02478	0.5
349.01721	0.4
365.05093	0.9
369.02661	0.5
403.03073	0.5
429.04456	0.8
431.02313	0.7
435.02197	0.6
449.03442	1.4
451.05075	0.7
477.02933	2.5
495.03961	14.0
513.05072	0.6
557.04272	0.5
575.06470	0.6
579.05902	0.9
593.08191	0.6
595.10071	0.5
603.06073	0.5
604.63690	0.4
621.07501	3.4
639.08246	5.0
657.08679	0.5
770.94141	0.5
959.09894	47.8
960.09326	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
54.03468	0.3
54.08938	0.3
54.15163	0.2
54.85163	0.2
54.93847	0.5
55.01871	2.1
55.02992	0.3
55.05515	0.9
55.93528	0.5
56.05032	0.8
56.96563	100.0
57.03433	3.8
57.04560	1.1
58.02956	1.1
58.06604	0.3
58.99877	1.1
59.05009	0.5
59.52182	0.4
60.04534	0.6
60.95847	0.5
62.86761	0.2
66.04723	0.3
67.02987	2.7
67.05499	0.5
68.02644	1.1
68.05026	0.9
68.52702	0.5
69.03426	3.1
69.04533	0.6
69.07070	2.0
69.96183	2.1
70.06584	0.6
71.01369	0.3
71.06146	0.3
71.94096	8.0
71.95258	1.3
72.04514	40.0
72.08169	1.4
72.52959	0.4
72.93786	28.7
72.96037	0.4
73.02920	1.0
73.04054	0.4
73.04876	0.3
74.04820	12.4
74.97614	1.7
75.01025	0.3
77.00886	2.2
78.52996	0.3
79.00623	0.3
79.05484	1.9
81.01931	0.3
81.03410	1.4
81.04543	0.5
82.02686	0.4
82.05337	0.6
83.97624	1.6
84.52937	0.3
85.02914	1.2
86.06064	1.7
86.52704	0.5
87.01900	0.6
87.04458	0.4
87.05599	1.6
87.53464	0.3
88.02690	1.3
88.51680	1.0
89.01739	2.8
89.51569	3.3
89.95141	1.1
90.01588	0.4
90.02443	0.4
90.94823	11.4
91.00546	0.4
91.05480	0.7
91.54320	0.4
92.02599	0.3
92.52916	0.3
93.01029	0.5
93.01971	0.4
93.53442	0.3
94.54299	0.4
95.01952	1.0
95.04990	0.6
96.04481	0.5
96.05604	1.0
96.08141	1.3
97.00533	0.4
97.04013	0.6
97.06489	0.5
97.07658	0.4
98.01316	0.3
98.02300	0.5
98.52086	0.8
99.04446	0.3
99.53487	0.3
100.02475	5.6
100.52460	1.2
101.00898	0.7
101.01627	0.7
101.02504	0.8
101.98673	0.7
102.02318	0.9
103.00501	0.3
103.02448	0.7
105.00358	0.9
105.03411	0.6
108.95860	5.1
109.02297	0.4
109.02950	0.3
111.02921	2.6
111.52934	0.4
112.02779	0.3
112.52413	0.3
113.96415	1.5
113.98597	0.5
114.02695	1.0
114.04004	2.3
114.05521	0.9
114.06646	4.8
114.09158	9.7
114.10283	0.9
115.01196	0.4
115.02432	0.8
115.03981	0.8
116.01253	0.3
116.98634	0.5
118.01134	1.1
118.03516	5.8
118.04312	0.4
119.01913	6.5
119.03677	0.9
119.99737	0.5
120.01987	0.9
120.03326	1.4
120.54018	0.3
121.01668	1.4
121.02708	1.3
121.03553	0.6
122.53689	0.3
123.01394	0.6
123.03918	0.3
123.12837	0.3
125.99242	0.4
126.49249	1.8
126.99081	2.2
127.49162	0.4
128.01973	0.3
128.97816	0.4
131.01903	5.7
131.97462	2.1
131.99675	3.2
132.02011	1.0
132.05061	54.5
133.01604	0.6
133.03519	2.0
133.05205	2.9
134.03600	0.3
134.99655	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.06
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	0.8
53.03933	0.9
54.03468	2.7
55.01880	3.5
55.05515	4.4
55.93522	2.2
56.05032	3.1
57.03436	5.9
57.07076	31.1
58.06601	3.3
58.07402	0.7
59.06110	0.6
60.04523	2.3
60.58632	0.7
62.42921	0.7
65.03941	7.5
67.01860	6.9
67.02998	1.5
67.05504	45.2
68.05029	6.0
68.05842	1.1
68.99797	1.0
69.03430	2.0
69.04573	0.8
69.07068	3.0
70.02956	6.3
70.06590	9.8
71.01357	1.1
71.04991	13.4
71.06120	1.0
71.06925	0.8
71.57278	0.7
71.94100	28.3
71.95271	0.6
72.04528	2.3
72.08154	2.3
72.93787	100.0
73.05293	1.5
74.04819	7.8
79.05503	2.9
81.05807	0.7
83.04982	1.8
83.06103	2.6
85.02908	0.9
85.06541	10.8
85.07675	2.4
86.06066	2.8
87.05573	1.0
89.95158	3.6
90.32549	0.6
90.94826	35.9
95.01333	6.9
95.04969	12.5
95.06059	4.1
95.08608	2.8
96.00841	3.2
96.04498	2.8
96.05590	1.3
96.06875	2.0
96.08121	5.8
97.06480	1.4
108.95864	14.7
112.96719	0.9
113.00075	4.2
113.02367	87.3
113.03478	5.5
113.06005	9.3
113.07156	7.3
113.07927	1.0
113.09014	1.0
113.10750	3.0
113.96403	5.8
114.02682	1.2
114.05509	0.8
114.06681	3.1
114.09164	10.9
114.10320	1.5
126.96891	1.1
131.97429	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	1128.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03419	23.6
84.75416	0.9
86.52963	1.1
91.05470	1.0
92.28862	0.9
95.01328	3.5
97.02872	1.6
98.17351	1.0
99.00813	3.7
103.05445	1.1
109.02879	12.6
109.81409	1.0
113.02370	1.0
117.01849	1.6
121.02858	0.9
123.00776	1.1
127.03926	2.5
137.02319	3.0
139.03893	2.2
141.01788	2.0
147.04384	2.1
149.02356	1.3
161.02361	1.2
163.03845	2.1
165.01807	4.1
167.03387	2.6
173.02318	1.5
175.00316	0.9
175.03886	2.8
187.03918	4.2
189.01701	2.2
191.03380	4.0
193.01318	9.9
195.02888	1.2
201.01846	3.0
203.03392	4.0
213.01855	3.1
215.03391	4.3
217.01299	4.6
218.02029	1.1
219.02907	5.6
221.00812	42.7
222.01289	1.0
229.01344	4.1
231.02869	23.2
235.02402	1.1
239.01842	19.6
241.01341	3.3
245.00790	7.3
247.02328	10.1
257.00800	5.8
259.02390	34.7
263.01981	1.9
273.00287	5.6
274.01117	1.5
275.01865	15.4
276.02618	4.7
277.03439	100.0
278.03702	1.8
285.00284	3.4
291.01373	1.3
300.99762	1.4
301.03247	1.0
303.01355	49.9
321.02426	4.9
331.00699	1.3
429.04492	2.8
447.05322	2.3
449.03497	12.2
477.03027	31.5
495.04056	12.6
621.07062	7.1
651.16962	1.1
941.08911	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	1128.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01806	1.5
79.05448	0.4
81.03410	19.8
83.01314	0.8
83.04965	0.5
84.04469	0.3
85.02892	1.5
89.03893	0.8
91.01813	0.4
91.05453	0.5
92.99702	1.3
93.03345	1.1
95.01324	3.8
97.02874	2.2
99.00771	0.8
99.04396	0.9
101.02325	0.8
103.05423	0.9
104.04987	0.3
107.01261	0.5
108.02076	0.3
108.04414	0.8
109.02870	17.7
111.00744	1.0
111.04401	0.7
113.02350	0.8
119.01225	1.1
119.04898	0.6
121.02859	3.1
123.00793	1.8
125.02367	1.6
126.05482	0.8
127.00230	0.4
127.03902	4.6
129.03351	0.7
131.04848	1.2
133.02805	0.7
135.48407	0.3
137.02328	2.9
139.00232	0.7
139.03836	0.9
141.01740	1.4
147.00705	0.6
147.04340	1.3
149.02325	3.2
151.00218	1.5
151.03917	0.3
153.01802	2.9
154.99692	0.3
157.02786	1.3
159.04373	0.4
163.03915	2.1
165.01822	10.7
166.99690	1.3
167.01064	0.3
167.03391	3.3
169.01280	0.9
173.02339	2.6
175.03905	2.8
177.01785	1.2
179.03372	0.4
181.01282	1.0
182.99181	1.2
183.02861	0.5
185.02234	1.5
187.02299	0.3
187.03883	4.3
189.01752	1.3
191.03406	3.8
193.01311	33.3
194.01709	0.5
194.99197	1.0
195.02882	2.0
197.00797	0.4
199.03824	0.4
201.01808	4.4
202.02509	0.6
202.99706	0.5
203.03366	5.1
205.01320	1.6
207.02869	0.9
209.00793	0.5
210.01486	0.4
211.02313	2.0
213.01839	3.0
215.03351	4.9
217.01311	2.1
219.02853	5.5
219.04840	0.4
221.00787	50.5
222.01277	0.7
223.02356	0.5
227.03264	0.4
229.01305	5.0
229.04861	0.4
230.02074	0.4
231.02861	22.0
232.03323	0.5
233.04405	0.5
237.00401	0.4
239.01765	3.7
239.03604	0.3
241.01303	4.1
243.02870	1.0
245.00801	3.8
245.04584	0.3
247.02361	13.0
253.05031	0.5
255.02856	0.5
257.00726	7.8
257.02805	0.6
258.01611	0.4
259.02362	33.7
260.02759	1.2
261.03937	1.2
263.01886	2.0
267.01117	0.5
271.02405	1.1
273.00253	2.8
273.03549	0.5
275.01831	16.3
276.02576	3.5
277.03403	100.0
278.03705	1.3
281.04437	0.5
283.02264	0.7
285.00287	5.6
285.03500	0.4
287.01813	1.3
289.03369	0.9
291.01379	0.9
297.00214	0.4
297.03986	0.5
299.01910	0.6
300.99973	0.5
301.03403	0.9
302.00455	0.9
303.01315	78.0
304.01660	1.2
305.02798	0.4
309.04016	0.4
311.01871	0.8
312.99982	0.5
313.03412	1.1
315.01285	1.2
317.02930	0.6
319.00769	0.8
321.02371	4.5
323.01843	0.5
327.01285	1.2
327.05072	0.4
328.99188	0.5
329.02957	0.9
331.00830	0.7
345.02441	0.6
347.03915	1.0
357.02191	0.5
365.05057	1.1
367.04236	0.4
375.03497	0.5
385.05786	0.6
387.03226	0.4
401.04895	0.4
403.02951	0.9
411.03406	0.5
415.03073	0.4
421.03638	0.4
429.04468	3.9
431.02402	1.5
447.05484	1.9
449.03543	4.2
459.01910	4.8
463.90134	0.3
467.04572	0.7
477.02963	22.3
495.03918	2.5
513.05292	2.0
557.05963	0.5
575.06561	0.7
585.05188	1.0
602.08044	1.1
603.06268	4.6
621.07196	10.7
639.08850	0.7
923.07776	0.5
941.08789	55.3
942.08728	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.5026
Annotation	Unknow
Peak:m/z	Relative Intensity
77.70380	0.3
80.68868	0.4
96.90496	0.4
121.17974	0.4
140.78833	0.4
152.37560	0.4
180.46454	0.4
287.05563	1.7
349.14615	0.4
383.08566	0.4
396.12454	0.6
397.13022	1.2
398.13577	0.7
401.85184	0.4
410.13678	1.5
411.14322	3.4
412.15393	2.9
413.16037	2.0
423.14981	1.0
424.10706	0.8
424.15375	1.7
425.11545	0.6
425.16232	7.5
426.16925	6.0
427.17496	1.9
428.18414	1.7
436.15317	0.6
437.16727	0.5
438.13138	1.7
438.17978	0.6
439.13638	12.0
440.13632	0.8
440.19269	3.8
441.19275	28.9
442.19318	1.2
452.14120	2.8
453.15347	13.5
454.16052	4.2
457.15170	0.6
465.15799	1.0
466.16977	0.5
467.17142	22.8
468.17844	10.7
469.18820	9.6
471.16507	1.2
480.17117	0.6
481.14767	12.6
482.15488	3.1
485.17972	1.4
495.16129	4.9
496.17117	9.7
497.17981	2.6
499.15723	0.6
499.20108	0.6
508.19308	0.8
509.18173	2.3
510.19427	0.5
512.20587	0.6
513.20679	0.5
514.22791	2.1
522.17883	0.7
523.19647	1.5
524.20300	0.5
527.23431	3.1
537.18860	0.6
542.21600	1.1
555.22363	28.4
556.22601	1.8
583.21869	78.6
584.22198	4.7
585.21820	0.9
586.21454	1.1
587.25012	1.2
611.21381	2.0
614.24371	0.9
615.24457	7.2
642.23102	3.2
643.23920	100.0
644.24274	3.4
645.24152	0.9
646.23993	0.7
1061.71716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0807
Annotation	trans,trans-2,4-Heptadienal
Peak:m/z	Relative Intensity
50.98867	0.5
51.02377	0.4
53.00303	0.6
53.03944	5.7
54.20264	0.4
55.00074	0.4
55.01873	14.2
55.03000	0.5
55.05509	100.0
56.05040	0.7
56.05851	3.0
57.03434	1.0
65.03946	2.8
66.53185	0.4
67.05500	7.1
68.05836	0.6
69.03426	32.7
69.07063	7.9
70.03759	1.0
70.06599	0.6
70.07396	0.5
70.16361	0.7
70.16772	1.8
77.03954	0.5
79.05499	1.4
81.03445	0.5
81.07056	4.8
82.04207	0.5
83.04974	3.8
83.06123	0.5
83.08616	30.1
84.04479	0.4
84.08133	0.6
84.08963	0.6
88.00502	1.0
91.05479	14.1
93.03410	0.9
93.07042	14.5
94.07383	0.9
95.04971	8.0
97.01018	1.4
105.04519	2.2
106.01485	0.4
111.04435	11.3
111.05279	0.6
111.05585	0.8
111.08076	35.4
112.03995	2.2
112.07627	1.2
112.08421	1.4
113.33859	0.4
115.96476	0.5
122.44398	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0807
Annotation	trans-2,4-hexadienal
Peak:m/z	Relative Intensity
51.02363	0.7
53.03946	5.1
55.01870	14.3
55.02994	1.1
55.05507	84.4
56.05023	0.7
56.05848	1.4
57.03431	0.9
57.93571	0.8
65.03935	61.1
66.04276	2.1
67.05499	100.0
68.05830	2.8
68.99774	0.7
69.03424	29.7
69.07066	7.8
70.06596	1.3
79.05491	0.9
81.03392	0.6
81.07055	3.4
83.04976	31.2
83.08613	19.8
84.08139	1.4
88.00466	3.0
91.05468	9.6
93.03398	16.9
93.06452	0.4
93.07029	11.8
94.03755	0.5
95.04961	8.1
97.01003	4.7
98.00752	1.1
99.51264	1.4
105.04508	1.2
106.01516	1.1
108.51740	0.7
111.04438	30.0
111.05634	1.4
111.06384	1.2
111.08073	26.2
111.09245	1.6
112.03968	3.3
112.04778	1.3
112.06303	0.6
112.07587	3.4
112.08298	0.6
112.66296	0.6
115.96438	2.3
116.97201	0.9
117.96025	0.7
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
51.77791	0.5
53.00313	1.0
53.03947	2.8
54.58680	0.6
55.01873	8.9
55.05510	41.2
61.68675	0.5
65.03940	60.4
66.04284	1.4
67.05502	100.0
68.05835	2.3
68.99777	0.6
69.03432	11.7
69.07063	3.9
70.06576	0.8
81.07052	2.1
83.04980	26.1
83.08616	9.1
85.57405	0.5
88.00438	0.7
91.05482	6.1
93.02822	0.9
93.03402	16.1
93.07043	5.9
94.03743	0.6
95.04962	3.2
97.00990	3.1
99.51248	0.6
105.04474	0.9
111.04438	19.9
111.05594	0.9
111.06413	0.8
111.08080	14.7
111.09226	1.0
112.03961	1.3
112.07692	1.2
115.96448	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1102.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
78.87831	0.5
80.66248	0.6
81.03417	27.7
81.03858	1.2
83.01295	1.6
83.04960	1.1
85.02843	2.1
89.03886	0.5
93.03339	1.4
95.01311	5.5
95.04908	0.8
97.02890	5.6
99.00789	0.8
99.04413	1.0
103.05390	0.7
109.02876	15.9
111.04394	2.2
111.84694	0.5
113.02345	3.0
115.05390	0.5
119.01279	0.8
121.02805	1.9
123.04395	0.6
125.02363	4.6
127.03905	4.1
128.96550	0.5
133.02863	0.5
137.02342	3.0
139.03906	4.3
141.01776	1.7
143.03363	1.5
145.02864	0.7
147.04349	1.8
149.02275	2.2
151.03864	0.9
153.01822	4.9
154.02309	0.5
155.03349	0.6
157.02728	0.7
157.04849	0.6
159.04378	0.9
163.03873	1.8
165.00749	0.5
165.01845	5.9
167.03389	10.2
173.02275	1.2
175.00009	0.5
175.03885	2.8
177.01776	3.5
179.03362	1.2
181.01328	0.6
183.02876	0.8
185.02654	0.8
185.04449	9.3
187.03883	4.4
189.01703	0.9
191.03435	4.1
192.99719	0.8
193.01332	12.3
193.04958	1.1
195.02869	2.6
198.75696	0.5
199.03824	1.0
201.01833	3.4
202.25352	0.5
203.03349	3.9
203.05286	1.1
203.14374	0.5
205.01268	0.8
205.04968	0.9
207.02884	0.7
211.02306	1.2
213.01759	2.9
213.03906	6.8
213.05656	0.7
215.03409	4.1
217.01376	1.3
217.04907	0.5
219.02899	4.5
221.00806	54.1
223.02303	1.1
227.03333	0.6
229.01376	4.1
229.04816	1.0
230.02052	0.6
231.02893	16.0
231.05003	2.2
235.02449	1.3
239.01845	25.3
241.01201	2.4
243.02827	0.9
245.00685	1.2
245.04465	1.1
247.02370	8.0
249.03934	1.1
255.02771	0.6
257.00803	6.7
257.04291	0.8
259.02380	24.0
260.02750	0.8
261.03833	1.1
263.01862	1.3
269.04422	0.6
271.02350	1.4
273.00476	0.8
273.03821	1.2
275.01852	12.9
276.02573	4.5
277.03421	58.7
278.03757	1.2
285.00369	7.1
285.03592	0.9
287.01773	1.6
289.03311	1.4
291.01392	0.6
293.02899	0.6
297.03979	1.1
299.01981	1.0
301.03574	1.0
302.00616	0.6
303.01337	80.8
304.01651	1.9
305.02942	0.9
311.07782	0.7
313.03406	1.1
315.01529	0.8
315.05011	1.1
317.02838	0.6
319.04404	0.8
321.02396	4.5
328.99155	0.6
331.00879	0.7
341.03021	0.8
343.04590	0.6
347.04001	1.0
359.04147	0.6
363.03351	0.6
365.04916	1.2
373.01596	0.6
387.03885	0.6
409.03864	0.9
415.02930	0.9
429.04532	1.0
433.04242	2.7
447.05402	0.7
447.91498	0.5
451.05048	6.9
469.06079	6.1
559.07086	0.9
577.08105	1.3
595.09149	9.8
613.10114	1.7
897.10291	2.4
915.10919	100.0
916.11115	5.9
925.73816	0.6
978.24927	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.9757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03113	0.7
53.03933	4.0
54.03473	0.9
54.93836	1.1
55.01877	12.6
55.02979	0.8
55.05513	40.8
55.93545	1.0
56.05036	6.8
56.44669	0.8
56.96566	100.0
57.03424	1.3
58.96175	0.9
58.96990	0.8
60.95858	1.1
65.03944	17.5
66.04270	0.8
67.05508	10.1
68.02654	1.5
68.05028	5.6
68.99785	3.1
69.03430	22.7
69.04545	2.3
69.07078	4.5
69.54919	7.2
69.96175	1.8
70.06594	62.7
70.94256	7.1
70.95863	1.7
71.01342	0.9
71.07369	2.3
71.45874	0.7
71.95266	15.5
72.96036	1.1
74.97598	1.6
81.03416	2.4
81.04513	1.2
82.04221	0.9
82.05328	14.3
82.06587	9.2
83.00800	0.9
83.01317	0.9
83.04482	1.8
83.04984	36.4
83.06095	13.4
83.07368	1.8
83.08628	0.9
84.04507	1.7
84.08153	9.3
84.96020	2.8
85.02898	1.7
87.12940	0.9
88.95303	2.2
88.96904	1.4
88.99143	1.9
91.05468	1.8
91.53723	1.0
92.01274	0.8
93.03399	4.1
93.07045	2.8
94.06576	11.3
95.01337	1.8
95.02455	3.0
95.04938	1.8
95.06072	1.6
96.02112	1.7
96.06879	6.4
97.02909	1.0
97.99215	0.9
98.21509	1.6
98.97568	1.2
100.02511	1.7
106.00468	1.0
107.00225	1.5
109.93663	0.8
110.97568	3.5
111.00806	3.3
111.04443	47.9
111.05569	16.6
111.06332	1.8
111.08110	6.0
111.09206	87.1
112.03986	1.8
112.05106	8.2
112.07607	23.1
116.98624	1.1
118.03514	1.5
126.03175	0.7
128.98599	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	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02377	1.0
53.03947	23.6
54.04272	0.6
55.01875	1.2
55.05513	12.9
56.05034	0.7
56.96563	0.6
57.01958	0.5
65.03944	8.8
67.05505	100.0
67.93545	0.7
68.05032	4.4
68.05832	2.6
68.95267	0.7
69.04556	2.9
69.07069	7.7
79.05492	16.1
80.05025	0.6
80.06281	1.6
81.02924	0.9
81.03418	30.8
81.07056	36.8
82.03742	0.7
82.06586	2.6
83.06063	0.6
91.05482	3.5
92.05019	0.6
94.04189	3.6
94.07832	1.8
98.20717	1.3
106.80694	0.5
107.04970	1.3
107.08589	2.7
109.02898	6.4
109.06523	9.7
109.07649	5.9
109.10155	29.1
110.06046	9.2
110.07167	11.8
110.10484	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.00305	0.6
53.03944	6.3
55.01876	0.7
55.05509	12.5
63.59239	0.3
65.03939	5.6
67.05501	100.0
68.05038	1.0
68.05839	1.6
69.07059	6.8
71.16567	0.7
71.16946	0.7
79.05488	12.6
80.05026	0.4
80.05848	0.6
80.06281	1.2
81.03413	9.3
81.03858	0.7
81.07051	34.2
82.06578	0.7
82.07381	0.8
82.75829	0.3
84.42152	0.3
91.05470	2.3
94.04188	1.1
94.07824	1.5
95.04983	0.6
103.71938	0.3
105.07023	0.7
107.01244	0.3
107.08582	3.8
109.02882	1.9
109.06510	4.6
109.07645	2.1
109.10149	26.6
110.06047	1.9
110.07166	1.6
110.10480	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03945	17.8
55.05509	14.9
65.03938	8.3
67.05502	100.0
68.05020	4.0
68.05830	2.1
69.04554	2.4
69.07063	6.3
69.48909	1.6
69.49315	5.1
72.64140	0.9
77.00804	0.9
79.05069	1.3
79.05492	20.9
80.06281	1.8
81.03419	17.8
81.07054	43.0
82.06583	2.4
82.07368	1.2
91.05463	3.7
94.04182	3.7
94.07841	1.4
95.04977	1.3
107.04945	1.0
107.08578	3.2
109.02870	1.5
109.06517	10.9
109.07634	6.5
109.10153	27.1
110.06041	2.6
110.07174	5.9
124.30284	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02386	2.3
53.00308	1.2
53.03947	35.4
54.03468	0.7
54.04273	0.6
55.01866	2.9
55.05510	12.0
56.05043	0.9
58.10757	0.5
65.03941	12.0
66.04716	1.0
66.92521	0.6
67.02995	1.0
67.04279	2.7
67.05503	100.0
68.05029	14.3
68.05830	1.9
68.95282	0.7
69.04553	1.6
69.05811	0.6
69.07059	6.5
69.96943	2.6
72.36433	0.5
79.05493	19.4
80.05011	1.5
80.06277	1.6
81.03414	47.1
81.07053	40.3
82.02927	0.7
82.03757	1.6
82.06573	10.5
82.07386	1.1
83.06085	0.9
85.33656	0.6
91.05477	5.8
92.05016	2.1
93.04534	0.8
94.04185	7.8
94.07819	2.1
95.04977	1.7
98.20764	0.7
105.07052	0.7
107.04958	1.6
107.08576	3.4
107.93034	0.6
108.06867	0.5
109.02880	11.0
109.06518	16.4
109.07639	26.7
109.10149	27.8
110.06044	11.1
110.07178	6.2
110.07912	1.2
110.10505	1.2
111.04472	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.9
53.03946	11.6
54.03461	0.3
54.04276	0.3
55.01875	1.8
55.05510	12.9
56.05045	0.4
62.99062	0.5
65.00645	0.4
65.03941	9.3
66.04720	0.5
67.03001	0.3
67.05504	100.0
68.05028	7.0
68.05843	1.8
69.04552	0.6
69.05806	0.4
69.07064	7.1
70.86636	0.8
78.15371	0.3
79.05493	20.9
80.05018	0.7
80.05838	0.5
80.06275	1.5
81.03420	17.5
81.07056	39.2
82.03739	0.7
82.06581	4.3
82.07403	1.0
83.06136	0.5
91.05487	4.4
92.04994	1.2
92.05806	0.3
94.04185	2.7
94.07816	1.6
95.04979	1.1
105.07048	0.6
107.04920	0.7
107.08591	3.5
109.02882	2.9
109.06517	20.6
109.07644	10.8
109.10153	30.3
110.06049	3.9
110.07195	2.3
110.10477	0.8
111.04424	0.3
117.25408	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.9
53.00312	1.1
53.03944	20.4
55.01870	7.5
55.05508	12.0
56.05035	0.7
56.96564	0.6
65.03938	11.5
65.86290	0.5
66.04720	1.6
67.05501	100.0
68.05026	9.0
68.05818	1.1
68.95264	0.5
69.03394	0.5
69.04566	1.0
69.07066	7.4
69.39382	4.8
79.05488	43.9
80.05006	1.0
80.05836	1.0
80.06276	1.9
81.03416	24.3
81.07050	55.4
82.06580	5.6
91.05475	11.0
92.04996	0.9
94.04184	6.6
94.07808	1.3
95.04958	2.1
105.07008	0.5
107.04948	1.6
107.08575	4.3
109.02880	4.0
109.06513	54.3
109.07614	12.7
109.10147	29.4
109.10929	0.8
110.06058	3.7
110.07231	2.7
110.10509	0.9
112.09369	0.6
112.64828	0.5
117.64793	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.4
53.00309	1.3
53.03947	34.8
53.04203	2.1
55.01871	5.2
55.05507	12.9
58.30798	0.8
59.54316	0.8
63.96651	0.9
65.03941	16.4
66.04700	1.5
67.02980	0.8
67.04236	3.9
67.05503	100.0
67.93542	1.1
68.05026	24.1
68.05833	2.4
69.04562	2.0
69.05788	0.9
69.07072	7.3
69.58337	1.6
69.58745	6.1
70.15894	0.9
72.21243	0.9
79.05493	48.2
80.05014	3.1
80.06264	0.9
81.03419	44.3
81.07053	65.6
82.03692	0.9
82.05315	1.3
82.06578	17.1
82.07357	1.3
83.06119	0.9
90.52148	0.8
91.05489	11.1
92.04983	3.8
92.69956	0.8
94.04176	6.0
94.07816	1.5
95.04977	3.4
107.04972	2.3
107.08582	2.9
109.02882	8.8
109.06515	55.8
109.07640	40.7
109.08441	1.4
109.10153	28.8
110.06073	6.8
110.07218	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	109.0651
Annotation	o-Cresol
Peak:m/z	Relative Intensity
50.01608	0.7
51.02383	3.0
53.00309	1.6
53.03946	33.9
53.13053	0.4
54.03467	0.9
54.04274	0.9
55.01871	8.6
55.05512	13.7
56.02824	0.4
56.05033	0.7
56.96576	2.4
65.03940	15.6
66.04716	2.4
67.04254	2.0
67.05502	100.0
67.95238	0.7
68.05025	16.2
68.05828	1.1
69.03424	0.7
69.04552	1.5
69.07066	6.8
69.93545	2.1
75.65052	0.4
79.05490	61.3
80.05029	1.8
80.05833	1.2
80.06271	1.7
81.03416	54.3
81.07053	67.2
82.03739	0.8
82.06115	0.8
82.06580	11.0
82.07372	1.1
91.05477	17.3
92.05012	2.5
94.04188	10.3
94.07821	1.6
95.04967	3.6
105.04489	0.7
105.07059	0.6
107.04951	3.0
107.08593	3.1
108.06859	0.6
109.02877	9.9
109.06510	82.1
109.07639	26.0
109.10147	32.0
110.06042	7.6
110.07218	3.8
110.10497	0.7
111.04428	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1073.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01851	6.8
80.02178	0.1
81.03414	0.6
85.02915	0.1
87.00826	0.1
88.50560	0.1
97.02886	1.4
103.05445	0.1
103.24917	0.1
107.01311	1.3
109.02878	1.1
123.00816	0.4
125.02343	4.1
127.03918	3.0
131.04929	0.3
143.03391	9.4
144.03764	0.1
153.01823	100.0
153.02800	4.0
154.02151	1.1
159.04416	0.4
161.05899	0.1
163.03943	0.3
166.05051	0.1
171.04306	0.1
177.05455	0.3
181.01320	0.2
183.02853	0.2
187.03970	0.2
191.03539	0.1
205.04930	0.8
205.72629	0.1
215.03386	0.3
217.04933	0.3
233.04405	1.8
235.02330	0.1
237.03949	0.2
243.02931	0.3
261.03940	1.9
277.03549	0.2
279.04980	2.9
287.05414	0.2
303.01321	0.2
303.04929	1.9
304.01620	0.1
305.02878	1.8
312.30539	0.1
365.30200	0.1
367.53827	0.1
421.05374	0.1
431.06018	0.2
449.07138	0.8
454.59079	0.1
470.28513	0.1
515.28912	0.1
619.09253	0.3
771.10278	0.7
903.12512	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	107.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.4
51.02373	1.6
53.00305	0.6
53.03947	4.1
55.01870	2.5
63.73056	0.4
65.03939	16.4
66.04282	0.5
67.04257	0.9
67.05502	3.0
71.57829	0.6
77.03933	1.3
77.26225	0.3
79.01846	1.0
79.05490	24.0
80.05012	3.9
80.05784	0.4
81.03415	0.5
91.05479	100.0
92.05793	1.3
92.06298	2.9
92.17624	0.3
93.05777	0.6
95.04961	10.6
95.05564	0.6
96.36182	0.3
103.05487	0.7
105.04538	2.2
105.07028	24.6
106.06541	1.3
106.07288	0.6
107.01281	1.0
107.04214	0.4
107.04951	14.6
107.06079	1.2
107.08586	17.9
108.04448	0.8
108.08109	1.4
108.08803	0.4
109.06513	12.8
109.07262	0.7
110.06812	0.4
119.06054	4.3
124.05224	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.8
53.03944	5.0
55.01860	1.1
65.03939	19.0
65.04286	0.9
66.03461	0.6
66.04291	0.5
67.04243	1.8
67.05504	3.3
70.61253	1.2
73.07947	0.4
77.03922	0.6
79.05492	26.7
80.05018	6.4
80.05808	0.8
84.95004	0.4
88.74336	0.4
91.05478	100.0
92.03730	0.6
92.05754	2.1
92.06315	2.2
93.05769	1.2
95.04965	7.6
96.04444	0.5
103.05448	1.1
105.04520	1.8
105.07029	25.2
106.06536	1.9
106.07295	0.6
107.04951	11.7
107.06068	2.9
107.08591	19.1
108.04454	1.4
108.05615	1.1
108.08096	2.1
108.08865	0.7
109.06513	12.2
119.06061	3.5
124.05229	0.5
124.59645	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02377	0.3
52.90722	0.2
52.95236	0.2
53.03949	1.9
55.01871	0.6
55.05503	0.3
57.91338	0.2
62.57182	0.2
65.03938	17.1
66.04261	0.2
67.05500	3.0
69.76736	1.3
77.03909	0.6
79.05489	15.9
79.29860	0.2
80.05013	0.4
80.05820	0.3
81.03391	0.2
91.05476	100.0
92.05791	1.8
92.06267	2.6
95.04962	5.9
103.05463	0.8
105.04536	1.0
105.07024	24.4
106.07368	0.6
107.04951	6.8
107.06057	0.3
107.08587	18.1
108.08148	0.2
108.08913	0.4
109.06509	12.9
110.06826	0.2
119.06067	4.7
124.05148	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02388	0.4
53.03945	1.6
55.01874	0.8
63.02361	0.3
65.03938	15.3
66.03471	0.3
66.04278	0.5
67.04245	0.9
67.05504	2.0
70.13396	1.2
77.03920	0.4
79.05491	14.7
80.05015	3.4
80.05803	0.3
81.03403	0.3
91.05477	100.0
92.05786	1.7
92.06292	2.9
93.05807	0.5
95.04960	4.2
98.20812	0.4
103.05461	0.7
105.04511	0.9
105.07027	27.4
106.06544	0.8
106.07329	0.7
107.04951	5.4
107.06080	1.5
107.08585	22.4
108.04494	0.7
108.05602	0.7
108.08106	0.8
108.08905	0.7
109.06516	15.2
119.06062	5.1
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
50.01600	0.2
51.02375	0.3
51.62029	0.1
53.03944	1.2
55.01872	0.6
55.05507	0.2
56.96560	0.1
57.26815	0.1
63.02383	0.3
65.03938	16.0
66.03481	0.2
66.04285	0.3
67.04246	1.1
67.05499	1.9
67.20561	0.1
71.56545	0.1
71.56952	0.2
77.03917	0.4
79.05489	13.7
80.05017	2.7
80.05789	0.2
81.03426	0.2
91.05477	100.0
92.03766	0.2
92.05795	1.9
92.06271	2.4
93.05790	0.4
95.04966	4.2
96.04491	0.4
96.05303	0.2
103.05479	0.8
105.04553	0.8
105.07026	26.3
106.04182	0.2
106.06550	0.8
106.07360	0.5
107.04954	4.6
107.06085	1.3
107.08588	19.9
108.04476	0.4
108.05551	0.4
108.08128	0.7
108.08933	0.5
109.06512	15.3
110.06837	0.4
119.06059	4.2
124.05227	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.01605	0.5
51.02383	1.4
53.03949	7.3
53.30909	0.5
54.08516	0.5
55.01873	1.5
64.64925	0.5
65.03941	15.7
65.04285	0.9
67.04247	3.4
67.05495	2.9
71.56744	0.9
72.20985	0.5
77.03919	1.2
79.05492	28.4
79.39557	0.5
79.95870	0.5
80.05018	8.1
81.03419	1.0
90.34842	0.6
91.05479	100.0
92.05795	1.7
92.06287	3.1
93.05777	1.4
95.04968	16.7
95.05565	1.0
96.04488	0.7
96.77415	0.5
103.05434	0.7
105.04515	2.1
105.07029	26.0
106.06571	4.5
106.07294	0.9
107.04954	24.7
107.06030	3.0
107.07346	1.8
107.08591	20.8
108.04466	1.5
108.05619	1.7
108.08125	1.8
109.06514	14.0
109.07262	0.8
110.06828	0.6
119.06084	5.9
124.05215	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01590	1.7
51.02372	2.7
53.03704	1.8
53.03946	25.9
55.01862	4.1
56.96574	1.1
57.27727	1.0
65.03935	10.7
67.05505	2.0
69.38255	3.3
69.38676	7.5
77.03925	4.2
79.05494	50.9
80.05000	5.7
81.03425	4.0
91.04900	1.6
91.05482	48.6
93.05791	5.9
95.04970	52.4
96.05318	1.7
97.04824	1.7
105.04514	9.0
105.07034	12.1
106.06574	6.4
107.04957	100.0
107.08598	10.2
108.04481	3.1
108.05240	1.7
108.08124	6.2
108.08793	1.2
109.06511	6.2
119.06017	1.3
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	Unknow
Peak:m/z	Relative Intensity
50.01584	0.7
51.02378	3.1
53.03944	21.3
55.01870	3.8
65.03928	1.0
66.13905	0.3
67.05470	0.4
70.95815	1.1
73.87018	0.4
77.03925	5.5
79.05488	43.5
80.05823	0.8
81.03426	2.5
83.67449	0.4
91.05495	3.4
95.04961	51.2
96.05304	1.5
105.04507	10.8
105.07005	0.9
107.04948	100.0
108.05283	3.2
109.06525	0.4
118.06528	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01598	1.1
51.02382	3.5
53.03949	23.6
55.01871	3.9
65.03934	1.2
68.99803	0.4
71.25801	0.9
77.03931	6.2
79.05494	49.6
80.05825	0.9
81.03419	3.2
91.05482	3.4
95.04968	58.8
96.05289	1.3
105.04511	10.4
105.07015	0.9
106.04810	0.4
107.04955	100.0
107.36902	0.4
108.05285	3.1
109.06512	0.5
118.06549	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01598	1.0
51.02379	3.0
53.03944	17.3
55.01865	0.9
57.62565	0.5
65.03938	2.8
69.79981	3.1
77.03929	4.7
79.05491	66.7
80.05825	0.9
81.03429	2.1
95.04966	38.1
96.04491	0.7
96.05331	0.7
102.04684	0.7
103.05465	42.4
104.05763	0.8
105.04527	7.0
105.07028	100.0
105.11044	0.6
106.06570	1.4
106.07365	3.1
113.96413	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.68036	0.8
51.02375	3.3
53.03711	1.1
53.03945	18.5
64.92790	0.8
65.03919	2.3
71.31348	1.9
77.03942	4.1
79.05489	69.1
80.05812	1.5
81.03398	1.1
95.04961	42.2
103.05460	42.3
104.05787	0.9
105.04535	8.5
105.07024	100.0
106.07373	2.7
124.59018	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01586	1.1
51.02368	3.7
51.27446	0.9
51.30464	0.8
53.03708	1.3
53.03945	20.8
55.01859	1.3
56.96550	1.9
57.71183	0.8
59.04996	4.5
64.75728	0.8
64.95563	1.1
65.03927	4.5
77.03929	6.0
78.03448	1.5
78.04700	0.9
79.05490	67.5
80.05830	1.0
81.03429	2.1
81.23700	0.8
87.05988	0.8
91.48251	1.0
95.04966	50.1
96.04483	3.2
102.04720	1.1
103.05467	42.1
104.90831	2.6
105.03378	3.6
105.04511	12.8
105.07027	100.0
105.11070	2.0
106.06542	6.3
106.07355	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02379	6.1
53.03947	18.7
56.96556	1.6
60.04523	2.1
61.08499	1.6
61.50651	1.2
64.92833	1.5
65.03929	3.4
70.95943	1.4
70.96265	2.1
77.03932	6.5
78.03449	1.7
79.05493	75.2
81.03423	1.7
95.04971	44.0
96.04497	5.0
96.05300	1.2
103.05466	51.5
104.90809	1.7
105.03381	3.2
105.04510	14.6
105.07030	100.0
106.06554	5.9
106.07303	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01598	0.8
51.02373	3.2
53.03944	16.3
55.01876	1.0
68.99807	0.4
70.69510	0.8
70.69870	0.5
77.03922	4.9
77.16697	0.3
79.05489	74.5
80.05833	1.1
81.03404	1.8
90.80958	0.3
95.04964	44.4
96.04556	0.3
96.05281	0.9
102.04669	0.5
103.05463	54.4
104.05771	1.5
104.90843	0.5
105.04524	7.3
105.07026	100.0
106.07348	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01605	1.0
51.02378	2.9
53.03710	1.1
53.03945	15.9
55.01865	0.9
59.17869	0.7
61.08501	0.9
61.09998	0.7
65.03604	1.1
65.03939	18.3
67.49281	0.5
77.03921	4.4
78.39474	0.6
79.05489	64.9
79.36808	0.5
80.05835	1.3
81.03423	1.9
82.55251	0.5
85.66332	0.6
95.04964	37.6
96.04489	1.9
103.05461	40.4
104.05764	0.9
105.04531	7.7
105.07024	100.0
105.11078	2.2
106.06555	2.8
106.07360	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	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18919	0.1
58.06598	10.3
59.07380	2.8
60.08163	75.9
61.08494	0.6
61.55321	0.1
62.92986	0.4
64.01897	0.1
70.83947	0.3
73.37023	0.2
86.09699	0.2
88.07637	0.2
99.39922	0.1
103.05489	0.2
104.10741	100.0
105.07024	0.3
105.11067	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17495	0.5
58.06594	10.3
59.07386	2.7
60.08162	76.9
64.01883	0.6
71.44373	0.7
71.44710	0.9
83.12075	0.5
95.04942	0.8
101.53915	0.6
104.10738	100.0
105.11077	1.3
115.41750	0.5
117.75062	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	1.1
51.02373	4.3
53.03708	1.7
53.03946	19.4
65.03932	2.6
67.58691	0.9
70.57137	0.9
71.48809	2.2
77.03929	4.7
78.03430	1.4
79.05494	74.6
80.05839	1.8
81.03429	2.2
88.48199	1.0
93.19444	1.0
95.04972	45.6
96.04481	3.0
96.05236	0.8
103.05468	45.6
104.90851	0.9
105.03416	2.1
105.04533	10.2
105.07031	100.0
105.11166	1.0
106.06561	4.1
106.07356	3.5
117.41939	0.9
119.73500	0.9
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
58.06306	0.4
58.06598	8.8
58.73021	0.2
59.07376	2.6
60.08161	74.7
61.08495	0.8
62.74065	0.2
69.03440	0.3
70.04582	1.2
86.09687	0.3
87.04419	0.3
88.07601	0.3
89.02190	0.2
104.10739	100.0
105.11059	1.2
110.21147	0.2
113.93269	0.2
118.29562	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1034.5887
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02898	4.0
79.05064	5.8
79.05493	81.5
81.03414	22.8
81.07054	100.0
83.04963	16.5
83.08617	22.6
85.02902	14.7
85.06521	5.3
91.03967	4.2
91.05476	80.1
93.07042	79.7
95.04970	32.4
95.08605	50.6
97.02887	13.3
97.06533	30.1
97.10157	18.4
99.08075	4.4
103.05473	2.8
105.04550	4.2
105.07030	59.0
107.04948	16.0
107.08596	54.7
109.02841	4.3
109.06513	10.0
109.10158	35.7
111.04456	4.1
111.08070	8.9
115.05444	5.3
117.07022	26.4
119.08570	39.3
121.06509	7.6
121.10134	24.0
123.08051	12.2
123.11697	7.7
123.34637	3.2
125.09637	14.5
127.03950	6.6
129.05399	3.5
129.06996	10.5
131.08574	36.0
132.58124	2.8
133.10127	35.3
135.08058	11.7
135.11668	22.1
137.09589	15.6
139.11157	3.6
143.08549	11.3
145.04921	3.3
145.10106	23.8
147.11679	19.0
149.09596	20.5
149.13258	15.3
151.11194	6.1
155.08521	6.0
157.10100	13.7
159.11664	16.9
161.09535	3.7
161.13234	6.8
163.11154	15.0
169.10129	4.2
171.11678	12.0
173.11736	6.3
173.13258	9.1
175.11183	7.3
175.14809	3.0
177.12703	7.2
179.14232	7.7
183.11687	5.9
185.13217	3.5
187.13310	4.3
187.14845	3.6
189.11143	7.6
195.13812	4.8
197.13139	5.5
209.13275	3.7
211.07169	3.1
215.17819	4.6
227.12762	13.1
229.14308	10.6
229.19478	5.5
239.17719	3.0
243.15875	4.8
247.20470	3.7
248.20944	3.1
255.15929	16.4
257.19022	12.7
267.15741	5.6
269.17548	19.3
273.18475	6.7
275.20081	47.1
291.19592	8.5
293.21118	6.4
349.23743	40.8
365.23251	5.0
409.25562	5.1
423.27267	5.8
449.28922	6.9
503.33667	9.1
529.35132	11.3
543.36493	11.2
623.42535	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	1034.5887
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02898	4.0
79.05064	5.8
79.05493	81.5
81.03414	22.8
81.07054	100.0
83.04963	16.5
83.08617	22.6
85.02902	14.7
85.06521	5.3
91.03967	4.2
91.05476	80.1
93.07042	79.7
95.04970	32.4
95.08605	50.6
97.02887	13.3
97.06533	30.1
97.10157	18.4
99.08075	4.4
103.05473	2.8
105.04550	4.2
105.07030	59.0
107.04948	16.0
107.08596	54.7
109.02841	4.3
109.06513	10.0
109.10158	35.7
111.04456	4.1
111.08070	8.9
115.05444	5.3
117.07022	26.4
119.08570	39.3
121.06509	7.6
121.10134	24.0
123.08051	12.2
123.11697	7.7
123.34637	3.2
125.09637	14.5
127.03950	6.6
129.05399	3.5
129.06996	10.5
131.08574	36.0
132.58124	2.8
133.10127	35.3
135.08058	11.7
135.11668	22.1
137.09589	15.6
139.11157	3.6
143.08549	11.3
145.04921	3.3
145.10106	23.8
147.11679	19.0
149.09596	20.5
149.13258	15.3
151.11194	6.1
155.08521	6.0
157.10100	13.7
159.11664	16.9
161.09535	3.7
161.13234	6.8
163.11154	15.0
169.10129	4.2
171.11678	12.0
173.11736	6.3
173.13258	9.1
175.11183	7.3
175.14809	3.0
177.12703	7.2
179.14232	7.7
183.11687	5.9
185.13217	3.5
187.13310	4.3
187.14845	3.6
189.11143	7.6
195.13812	4.8
197.13139	5.5
209.13275	3.7
211.07169	3.1
215.17819	4.6
227.12762	13.1
229.14308	10.6
229.19478	5.5
239.17719	3.0
243.15875	4.8
247.20470	3.7
248.20944	3.1
255.15929	16.4
257.19022	12.7
267.15741	5.6
269.17548	19.3
273.18475	6.7
275.20081	47.1
291.19592	8.5
293.21118	6.4
349.23743	40.8
365.23251	5.0
409.25562	5.1
423.27267	5.8
449.28922	6.9
503.33667	9.1
529.35132	11.3
543.36493	11.2
623.42535	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	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	4.9
53.03713	1.2
53.03946	24.3
55.01859	1.1
56.05017	3.1
57.05348	3.2
58.06591	3.9
59.06112	4.5
59.40357	1.0
60.04525	1.2
62.06076	5.3
71.57049	1.0
77.03908	4.3
81.03412	2.4
85.02907	3.8
86.06061	2.5
94.00027	1.0
95.04965	57.0
96.05274	1.2
102.04678	6.7
103.05461	100.0
103.08707	8.8
104.05802	2.1
104.10778	1.2
105.04499	10.3
117.92085	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	1.3
51.02381	5.8
53.03945	28.8
55.01854	2.3
56.05035	3.4
56.96553	2.3
57.03423	1.1
57.04536	1.1
57.05369	3.2
58.02946	1.1
58.06602	4.1
59.06124	4.0
60.04528	0.7
60.08152	1.9
60.95853	4.3
62.06085	11.2
62.92976	0.6
65.94505	0.5
67.47482	0.5
68.05031	0.7
70.85658	0.6
70.85992	1.3
73.07668	1.0
74.06078	0.7
75.05628	1.3
77.03928	6.3
81.03395	3.6
85.02894	1.5
85.07661	2.0
86.06062	5.2
87.67387	0.6
89.92245	0.5
93.29311	0.6
95.04963	73.7
96.05288	1.2
102.04682	7.7
102.96849	0.5
103.03987	2.4
103.05462	100.0
103.08694	15.0
103.09398	0.7
104.05815	1.7
104.10738	3.2
105.04511	14.6
118.06493	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5941
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05000	5.8
71.19568	8.1
73.02910	3.8
75.24374	3.0
79.05489	77.9
81.03413	20.3
81.07053	100.0
83.04979	14.6
83.08607	21.2
83.12007	2.8
85.02895	11.6
85.06544	6.3
86.09692	3.2
87.76580	2.7
89.07837	3.4
91.03948	4.0
91.04906	3.1
91.05479	78.9
93.07038	85.5
95.01302	3.1
95.04960	21.9
95.08597	53.0
97.02904	8.3
97.06516	29.0
97.10190	14.0
99.04418	3.5
99.08101	5.2
103.05484	5.2
103.19180	2.8
105.07026	63.2
107.04948	20.0
107.08578	60.3
108.95715	3.1
109.02861	3.6
109.06520	12.3
109.10145	29.8
111.08089	11.1
115.05455	5.3
117.06998	22.9
119.08592	42.2
121.06530	9.5
121.10149	24.4
123.08073	7.2
123.11733	6.5
125.09635	13.6
127.03909	12.1
128.06346	3.3
129.07004	9.1
131.08582	39.5
133.06505	3.2
133.10120	39.5
135.08064	9.0
135.11691	23.6
137.09599	5.0
139.07500	3.7
141.06992	3.8
143.08577	12.1
145.06499	3.8
145.10094	26.4
147.11690	24.0
148.18471	2.9
149.09621	26.4
149.13264	18.1
151.11136	3.2
153.09023	3.6
155.08537	6.6
157.10135	9.6
159.07991	3.0
159.11710	22.3
161.09689	3.5
161.13269	8.3
163.11221	9.8
165.09166	3.3
166.43954	2.7
166.45703	2.9
169.10138	6.9
171.11635	5.2
173.04485	4.4
173.13297	12.6
175.11221	4.5
177.12750	8.6
179.14337	6.2
181.10141	5.2
183.11717	4.4
185.13197	6.1
189.11191	4.3
195.13811	12.9
197.13275	4.4
204.99023	3.3
211.14845	4.8
227.12726	16.1
229.19543	3.5
233.18745	3.3
247.20746	3.2
251.16383	3.8
255.15807	19.0
257.18982	19.7
269.17456	55.4
269.20172	4.7
275.20056	65.2
279.12375	3.2
293.21228	6.7
313.21564	4.3
331.22760	6.1
347.22549	3.2
349.23749	52.5
367.24832	4.9
414.98566	3.7
449.29056	35.0
463.30670	37.3
469.32974	6.0
492.71188	3.3
503.33447	4.3
515.37238	4.7
525.35547	9.3
529.35492	16.4
543.36792	66.4
544.37482	3.5
561.37646	11.8
578.32007	3.1
593.32935	4.0
623.42957	17.4
624.42096	3.6
641.43964	11.7
687.41016	5.3
705.42242	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	1018.5946
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04995	7.2
73.02910	3.6
76.19654	2.1
79.05495	75.2
81.03407	17.5
81.07055	100.0
83.04977	13.6
83.08607	19.2
85.02916	11.1
85.06548	7.2
86.09712	2.8
91.03973	4.0
91.05479	71.2
93.07044	82.8
93.07632	4.8
95.04970	21.8
95.08611	45.9
97.02897	6.3
97.06543	19.9
97.10175	10.1
99.04413	3.2
99.08096	4.8
105.07032	59.0
107.04961	14.8
107.08597	52.2
109.02889	4.5
109.06514	11.3
109.10153	16.3
111.08083	8.1
113.09652	3.1
117.07016	24.8
119.08581	42.3
121.06512	8.9
121.10134	28.8
123.04417	2.4
123.08057	4.7
123.11728	4.1
125.09650	9.7
127.03915	5.8
128.06218	3.8
129.07037	12.9
130.07751	3.1
131.08575	33.5
133.10123	37.5
135.08095	8.9
135.11685	25.7
137.09639	6.6
137.80791	2.7
141.06996	4.9
142.07761	2.8
143.08586	11.3
145.05002	2.9
145.06499	2.5
145.10129	26.2
147.08029	4.3
147.11676	18.6
149.09627	18.8
149.13266	18.2
151.11220	4.5
153.09181	3.3
155.08575	3.0
157.10178	13.0
159.08141	2.1
159.11703	22.9
161.09625	3.8
161.13280	7.5
163.11186	13.9
165.09273	2.4
165.12723	5.7
167.08595	2.7
168.09332	2.4
169.10179	5.0
171.10387	2.4
171.11729	10.1
173.04480	3.2
173.13271	8.8
174.95366	2.7
175.11211	2.8
177.12758	5.3
179.14285	4.0
181.12233	2.7
183.11726	6.7
185.13304	4.1
187.11140	2.5
189.11261	5.3
195.11980	2.2
195.13876	8.6
197.13303	4.9
209.13460	2.2
219.14017	3.0
223.13298	2.5
227.12772	14.3
229.19482	5.5
229.66315	2.9
239.17984	3.9
255.15848	14.2
257.19003	12.7
267.15939	6.9
269.17474	60.4
269.20184	4.2
272.93842	2.3
273.18475	3.4
275.20071	64.6
293.21130	7.6
307.23431	2.2
312.21735	2.2
331.22714	4.7
349.23752	51.0
353.24539	3.0
367.24896	9.4
413.21875	2.9
431.27783	2.9
435.27460	4.7
445.29840	3.6
449.28970	31.2
463.30545	42.1
489.32886	2.4
515.37238	3.6
519.32867	3.1
525.35291	11.0
529.35077	10.1
536.12311	2.4
543.36859	72.3
547.35870	3.2
561.37854	10.9
595.43335	2.8
607.34735	4.1
623.42609	10.0
641.43951	5.3
687.40875	4.0
705.42773	2.6
747.87805	2.7
901.15521	2.9
1047.12463	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	1018.5937
Annotation	Unknow
Peak:m/z	Relative Intensity
70.64472	7.1
70.64839	7.9
73.02925	3.7
79.05483	45.0
81.03406	11.9
81.07049	77.8
83.04957	6.3
83.08617	15.1
85.02900	26.8
87.04461	5.8
91.03942	13.5
91.05471	29.5
93.07035	47.5
95.04973	8.0
95.08045	5.5
95.08601	44.3
97.02882	10.6
97.06505	4.0
97.10162	21.8
98.20782	3.7
105.07027	21.1
107.04952	6.0
107.08569	34.1
109.06520	3.9
109.10141	69.2
117.07020	8.5
119.08556	15.3
121.10126	26.4
123.11739	4.4
125.09623	19.4
125.77196	3.0
131.08548	14.5
133.10130	10.0
135.11691	21.8
137.13185	3.7
142.79616	3.6
143.10695	3.4
145.04942	6.9
145.10124	14.0
147.11674	11.2
149.09560	3.4
149.13258	9.2
153.12761	5.2
159.11684	6.7
161.13315	7.5
163.06042	4.6
163.11130	8.9
171.11720	3.9
173.11708	19.7
173.13182	8.7
173.72360	3.4
191.10675	3.8
193.12320	4.8
199.13255	8.2
209.11670	5.9
211.13362	4.1
227.12788	10.5
229.14339	58.0
243.21114	5.5
261.22122	21.6
286.36230	3.5
293.94012	3.5
301.16412	18.9
335.25760	100.0
399.23718	25.1
477.35635	9.3
489.35895	18.7
543.36823	5.4
561.38123	7.8
579.38879	6.0
659.45056	32.6
1011.47845	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	1018.594
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04977	6.2
79.05490	48.4
81.03396	10.8
81.07052	71.2
83.04964	4.3
83.08612	16.9
85.02904	21.5
87.04462	3.2
91.03952	6.2
91.05474	29.6
93.07043	43.8
95.04969	7.8
95.08614	42.5
97.02894	8.8
97.06519	4.7
97.10146	14.1
98.20773	6.7
105.07030	14.6
107.04888	3.6
107.08585	31.5
109.10154	66.1
111.08100	5.6
117.07006	10.0
119.08633	16.6
121.10161	20.8
123.08023	4.2
123.11703	8.1
125.09617	15.9
127.03928	5.0
129.05489	3.8
129.06946	3.2
131.08533	12.0
132.46872	3.4
133.10139	10.5
135.11714	15.7
135.16774	2.8
137.13324	3.3
143.10754	4.5
145.04944	5.1
145.10114	7.6
147.11681	6.6
149.13327	6.9
159.11665	5.2
161.13269	4.2
163.06006	4.6
163.11243	7.0
173.11731	19.4
173.13181	7.2
175.14828	3.7
179.66078	3.1
181.12221	3.7
199.13321	4.9
209.11720	8.1
227.12842	6.5
229.14284	46.2
229.21965	4.0
243.21109	6.8
261.22086	20.4
267.15909	4.6
301.16418	16.7
335.25778	100.0
382.98145	3.5
399.23676	12.5
477.35690	5.9
489.35770	20.6
561.37860	12.2
579.38599	4.5
659.45001	31.8
853.05670	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	1016.5783
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57999	2.4
71.58448	3.3
71.75470	2.5
79.05492	39.1
81.03403	11.8
81.07056	44.2
83.04984	4.5
83.08608	10.4
85.02893	5.0
85.78268	2.7
91.05479	37.9
93.07040	35.8
95.04967	14.9
95.08606	21.8
97.02888	12.1
97.06508	13.6
97.10176	17.9
105.07027	36.2
107.04958	9.8
107.08599	29.4
109.02866	2.8
109.06508	5.3
109.10149	14.8
115.05503	3.3
117.07006	15.7
119.08578	23.8
121.06490	5.7
121.10149	10.9
123.08069	4.3
125.09623	15.7
129.07025	6.0
131.08562	14.0
133.10141	19.2
135.08052	8.8
135.11671	9.0
137.09654	3.4
143.08560	6.0
145.10088	12.0
147.08061	7.1
147.11681	8.6
149.09621	10.8
149.13206	6.6
151.11226	4.0
155.08575	3.7
157.10132	3.8
159.11687	6.9
163.11162	7.1
169.10120	3.7
171.11655	4.2
173.13226	4.4
175.11206	2.9
180.60754	2.6
189.11261	8.0
205.12421	3.3
223.13313	17.5
227.12752	20.7
239.18282	3.1
247.78357	2.6
253.14320	3.4
257.19131	5.0
269.17603	17.4
273.18573	17.9
275.20010	25.9
291.19537	100.0
293.21158	3.1
349.23682	27.1
354.90408	3.4
365.23209	51.3
519.33606	3.8
545.34723	18.1
559.36267	52.5
639.42529	51.1
657.43774	5.3
699.37238	3.0
777.83960	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	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.6
54.27351	0.3
55.01873	4.3
55.05509	17.9
56.05031	5.9
56.05836	1.0
56.96563	56.0
57.03434	6.6
57.04540	0.4
57.05336	0.3
57.05798	0.3
58.02945	0.4
58.06596	3.3
58.96167	3.3
58.99853	2.0
59.04997	4.6
59.06121	8.2
59.93108	2.9
59.96178	1.3
59.99925	0.4
60.02150	0.5
60.04519	1.9
60.95848	6.4
61.02917	0.9
65.03941	0.3
66.04710	0.4
67.05515	0.4
68.00253	0.9
68.02633	2.3
69.01912	0.6
69.03095	0.4
69.03421	2.0
69.84259	1.6
70.99840	0.5
71.01345	2.6
71.04990	3.4
71.95254	2.6
72.04510	0.4
72.08145	3.0
72.52978	0.3
73.02914	6.0
73.06552	1.1
73.08472	0.6
73.94860	0.4
74.00255	0.4
74.06068	1.4
74.09705	1.0
74.97614	1.2
75.01041	2.0
75.89695	0.3
77.00870	7.4
78.01013	0.7
79.00633	0.5
79.01839	1.0
81.03407	0.9
82.01822	0.4
82.99872	0.6
83.00784	3.1
83.01472	0.8
83.04974	10.2
83.06089	0.7
84.01116	0.5
84.01568	2.8
84.04497	7.4
84.05293	0.4
84.06843	0.3
84.08125	1.9
84.96024	2.1
85.02890	1.7
86.01299	1.4
86.52676	0.4
87.00785	0.3
87.01865	0.3
87.53463	0.4
89.00827	0.8
89.02636	0.4
90.01550	0.7
91.02338	0.3
92.01293	2.4
94.51588	0.4
95.01938	3.4
96.02019	0.7
97.02875	0.4
97.96790	0.4
97.99150	0.5
98.01307	0.4
98.03101	0.9
98.96953	0.4
98.97580	4.7
100.02481	2.9
100.98836	0.4
101.00877	7.0
101.02483	8.5
101.03477	0.6
101.06017	5.2
101.07096	1.5
101.07856	1.4
101.10741	0.2
101.11581	0.6
102.01083	0.3
102.02241	3.8
102.02867	0.5
102.05535	3.6
102.09152	1.0
102.12801	2.3
102.97072	0.6
103.02375	0.7
107.00182	0.3
110.97546	1.0
115.01165	0.7
115.97800	0.5
116.98623	5.5
118.03517	2.8
119.01913	100.0
119.03617	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.0
56.05024	3.3
56.96563	6.7
58.96169	6.3
59.06126	5.6
59.96174	0.9
60.04520	2.1
60.95852	5.0
70.10647	1.5
70.11052	2.4
71.95272	1.5
77.00878	0.9
82.52276	0.8
83.01534	1.8
84.04517	1.6
96.11604	0.8
100.02469	2.5
100.97157	1.9
100.98018	0.8
101.00266	1.4
101.00884	12.3
101.02554	12.8
101.07150	1.4
102.02244	3.6
118.03525	1.7
118.98227	2.2
119.01925	100.0
119.03607	10.0
END